data_c15272_2jqb ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c15272_2jqb _Entry.Title ; The NMR solution structure of a pH sensitive,D-amino acid containing conopeptide, mr12 . ; _Entry.Version_type original _Entry.Submission_date 2007-05-31 _Entry.Accession_date 2007-05-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.20 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Feijuan Huang . . . c15272_2jqb 2 Weihong Du . . . c15272_2jqb 3 Yuhong Han . . . c15272_2jqb 4 Chunguang Wang . . . c15272_2jqb 5 Chengwu Chi . . . c15272_2jqb stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'M cono-toxin' . c15272_2jqb mr12 . c15272_2jqb 'NMR solution structure' . c15272_2jqb stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c15272_2jqb stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 86 c15272_2jqb 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 . . 2008-06-12 2007-05-31 original author . c15272_2jqb stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YYF 'Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus' c15272_2jqb BMRB 15273 'conopeptide mr12 mutant' c15272_2jqb stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c15272_2jqb _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18355315 _Citation.Full_citation . _Citation.Title 'Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1976 _Citation.Page_last 1987 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuhong Han . . . c15272_2jqb 1 2 Feijuan Huang . . . c15272_2jqb 1 3 Hui Jiang . . . c15272_2jqb 1 4 Li Liu . . . c15272_2jqb 1 5 Qi Wang . . . c15272_2jqb 1 6 Yanfang Wang . . . c15272_2jqb 1 7 Xiaoxia Shao . . . c15272_2jqb 1 8 Chengwu Chi . . . c15272_2jqb 1 9 Weihong Du . . . c15272_2jqb 1 10 Chunguang Wang . . . c15272_2jqb 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'M conotoxin' c15272_2jqb 1 'NMR solution structure' c15272_2jqb 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c15272_2jqb _Assembly.ID 1 _Assembly.Name 'M cono-toxin mr12' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'chain A' 1 $mr12_at_pH5 A . yes native no no . . . c15272_2jqb 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mr12_at_pH5 _Entity.Sf_category entity _Entity.Sf_framecode mr12_at_pH5 _Entity.Entry_ID c15272_2jqb _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mr12_at_pH5 _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 DWEYHAHPKNSWT _Entity.Polymer_seq_one_letter_code DWEYHAHPKXNSXWT _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1935.080 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . c15272_2jqb 1 2 . TRP . c15272_2jqb 1 3 . GLU . c15272_2jqb 1 4 . TYR . c15272_2jqb 1 5 . HIS . c15272_2jqb 1 6 . ALA . c15272_2jqb 1 7 . HIS . c15272_2jqb 1 8 . PRO . c15272_2jqb 1 9 . LYS . c15272_2jqb 1 10 . HYP . c15272_2jqb 1 11 . ASN . c15272_2jqb 1 12 . SER . c15272_2jqb 1 13 . DPN . c15272_2jqb 1 14 . TRP . c15272_2jqb 1 15 . THR . c15272_2jqb 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 . ASP 1 1 c15272_2jqb 1 . TRP 2 2 c15272_2jqb 1 . GLU 3 3 c15272_2jqb 1 . TYR 4 4 c15272_2jqb 1 . HIS 5 5 c15272_2jqb 1 . ALA 6 6 c15272_2jqb 1 . HIS 7 7 c15272_2jqb 1 . PRO 8 8 c15272_2jqb 1 . LYS 9 9 c15272_2jqb 1 . HYP 10 10 c15272_2jqb 1 . ASN 11 11 c15272_2jqb 1 . SER 12 12 c15272_2jqb 1 . DPN 13 13 c15272_2jqb 1 . TRP 14 14 c15272_2jqb 1 . THR 15 15 c15272_2jqb 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 c15272_2jqb _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mr12_at_pH5 . 42752 organism . 'marmophine, from Conus marmoreus' 'Conus marmoreus' . . Eukaryota Metazoa Conus marmoreus . . . . . . . . . . . . . . . . . . . . . c15272_2jqb 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 c15272_2jqb _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mr12_at_pH5 . 'chemical synthesis' 'Conus marmoreus' . . . Conus marmoreus . . . . . . . . . . . . . . . . . . . . . . . c15272_2jqb 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID c15272_2jqb _Chem_comp.ID HYP _Chem_comp.Provenance . _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code HYP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code P _Chem_comp.Three_letter_code HYP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _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 PRO _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 HYDROXYPROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _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 PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:34:57 2011 ; _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 O=C(O)C1NCC(O)C1 SMILES ACDLabs 10.04 c15272_2jqb HYP O[C@H]1CN[C@@H](C1)C(O)=O SMILES_CANONICAL CACTVS 3.341 c15272_2jqb HYP O[CH]1CN[CH](C1)C(O)=O SMILES CACTVS 3.341 c15272_2jqb HYP C1[C@H](CN[C@@H]1C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c15272_2jqb HYP C1C(CNC1C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 c15272_2jqb HYP InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 InChI InChI 1.03 c15272_2jqb HYP PMMYEEVYMWASQN-DMTCNVIQSA-N InChIKey InChI 1.03 c15272_2jqb HYP 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 (4R)-4-hydroxy-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 c15272_2jqb HYP '(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c15272_2jqb HYP 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 0 . . . . no no . . . . -3.366 . 16.585 . 44.188 . 0.168 1.360 -0.282 1 . c15272_2jqb HYP CA . CA . . C . . S 0 . . . . no no . . . . -2.955 . 15.768 . 43.044 . -0.384 -0.003 -0.493 2 . c15272_2jqb HYP C . C . . C . . N 0 . . . . no no . . . . -1.447 . 15.609 . 43.030 . -1.811 -0.072 -0.013 3 . c15272_2jqb HYP O . O . . O . . N 0 . . . . no no . . . . -0.722 . 16.484 . 43.503 . -2.233 0.764 0.750 4 . c15272_2jqb HYP CB . CB . . C . . N 0 . . . . no no . . . . -3.408 . 16.578 . 41.829 . 0.515 -0.924 0.359 5 . c15272_2jqb HYP CG . CG . . C . . R 0 . . . . no no . . . . -4.437 . 17.482 . 42.330 . 1.847 -0.159 0.505 6 . c15272_2jqb HYP CD . CD . . C . . N 0 . . . . no no . . . . -4.068 . 17.803 . 43.753 . 1.640 1.159 -0.271 7 . c15272_2jqb HYP OD1 . OD1 . . O . . N 0 . . . . no no . . . . -5.693 . 16.815 . 42.294 . 2.917 -0.911 -0.071 8 . c15272_2jqb HYP OXT . OXT . . O . . N 0 . . . . no yes . . . . -0.976 . 14.502 . 42.469 . -2.614 -1.063 -0.433 9 . c15272_2jqb HYP H . H . . H . . N 0 . . . . no yes . . . . -3.980 . 16.047 . 44.765 . -0.107 1.981 -1.028 10 . c15272_2jqb HYP HA . HA . . H . . N 0 . . . . no no . . . . -3.385 . 14.756 . 43.068 . -0.325 -0.278 -1.546 11 . c15272_2jqb HYP HB2 . HB2 . . H . . N 0 . . . . no no . . . . -2.567 . 17.141 . 41.398 . 0.066 -1.092 1.337 12 . c15272_2jqb HYP HB3 . HB3 . . H . . N 0 . . . . no no . . . . -3.790 . 15.930 . 41.026 . 0.678 -1.873 -0.153 13 . c15272_2jqb HYP HG . HG . . H . . N 0 . . . . no no . . . . -4.508 . 18.399 . 41.726 . 2.052 0.048 1.555 14 . c15272_2jqb HYP HD22 . HD22 . . H . . N 0 . . . . no no . . . . -4.956 . 18.005 . 44.370 . 2.018 1.065 -1.289 15 . c15272_2jqb HYP HD23 . HD23 . . H . . N 0 . . . . no no . . . . -3.457 . 18.713 . 43.848 . 2.132 1.985 0.243 16 . c15272_2jqb HYP HD1 . HD1 . . H . . N 0 . . . . no no . . . . -5.999 . 16.666 . 43.181 . 3.780 -0.479 -0.009 17 . c15272_2jqb HYP HXT . HXT . . H . . N 0 . . . . no yes . . . . -0.027 . 14.511 . 42.499 . -3.520 -1.066 -0.098 18 . c15272_2jqb HYP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c15272_2jqb HYP 2 . SING N CD no N 2 . c15272_2jqb HYP 3 . SING N H no N 3 . c15272_2jqb HYP 4 . SING CA C no N 4 . c15272_2jqb HYP 5 . SING CA CB no N 5 . c15272_2jqb HYP 6 . SING CA HA no N 6 . c15272_2jqb HYP 7 . DOUB C O no N 7 . c15272_2jqb HYP 8 . SING C OXT no N 8 . c15272_2jqb HYP 9 . SING CB CG no N 9 . c15272_2jqb HYP 10 . SING CB HB2 no N 10 . c15272_2jqb HYP 11 . SING CB HB3 no N 11 . c15272_2jqb HYP 12 . SING CG CD no N 12 . c15272_2jqb HYP 13 . SING CG OD1 no N 13 . c15272_2jqb HYP 14 . SING CG HG no N 14 . c15272_2jqb HYP 15 . SING CD HD22 no N 15 . c15272_2jqb HYP 16 . SING CD HD23 no N 16 . c15272_2jqb HYP 17 . SING OD1 HD1 no N 17 . c15272_2jqb HYP 18 . SING OXT HXT no N 18 . c15272_2jqb HYP stop_ save_ save_chem_comp_DPN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPN _Chem_comp.Entry_ID c15272_2jqb _Chem_comp.ID DPN _Chem_comp.Provenance . _Chem_comp.Name D-PHENYLALANINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code DPN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code DPN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H11 N O2' _Chem_comp.Formula_weight 165.189 _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:35:35 2011 ; _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 O=C(O)C(N)Cc1ccccc1 SMILES ACDLabs 10.04 c15272_2jqb DPN N[C@H](Cc1ccccc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 c15272_2jqb DPN N[CH](Cc1ccccc1)C(O)=O SMILES CACTVS 3.341 c15272_2jqb DPN c1ccc(cc1)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c15272_2jqb DPN c1ccc(cc1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c15272_2jqb DPN InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1 InChI InChI 1.03 c15272_2jqb DPN COLNVLDHVKWLRT-MRVPVSSYSA-N InChIKey InChI 1.03 c15272_2jqb DPN 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 D-phenylalanine 'SYSTEMATIC NAME' ACDLabs 10.04 c15272_2jqb DPN '(2R)-2-amino-3-phenyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c15272_2jqb DPN 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 0 . . . . no no . . . . 34.692 . 5.147 . 11.886 . -1.074 1.447 0.824 1 . c15272_2jqb DPN CA . CA . . C . . R 0 . . . . no no . . . . 34.648 . 5.692 . 10.509 . -1.289 0.054 0.411 2 . c15272_2jqb DPN C . C . . C . . N 0 . . . . no no . . . . 33.882 . 7.017 . 10.467 . -2.740 -0.147 0.057 3 . c15272_2jqb DPN O . O . . O . . N 0 . . . . no no . . . . 33.561 . 7.596 . 11.514 . -3.434 0.805 -0.213 4 . c15272_2jqb DPN OXT . OXT . . O . . N 0 . . . . no yes . . . . 33.600 . 7.485 . 9.254 . -3.263 -1.383 0.041 5 . c15272_2jqb DPN CB . CB . . C . . N 0 . . . . no no . . . . 36.067 . 5.886 . 9.998 . -0.419 -0.257 -0.809 6 . c15272_2jqb DPN CG . CG . . C . . N 0 . . . . yes no . . . . 36.930 . 6.703 . 10.909 . 1.035 -0.176 -0.422 7 . c15272_2jqb DPN CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 37.767 . 6.083 . 11.827 . 1.690 -1.300 0.042 8 . c15272_2jqb DPN CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 36.921 . 8.095 . 10.838 . 1.715 1.023 -0.537 9 . c15272_2jqb DPN CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 38.584 . 6.833 . 12.661 . 3.024 -1.226 0.397 10 . c15272_2jqb DPN CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 37.732 . 8.857 . 11.666 . 3.049 1.097 -0.183 11 . c15272_2jqb DPN CZ . CZ . . C . . N 0 . . . . yes no . . . . 38.566 . 8.224 . 12.578 . 3.703 -0.027 0.287 12 . c15272_2jqb DPN H . H . . H . . N 0 . . . . no no . . . . 34.702 . 4.148 . 11.849 . -1.317 2.086 0.082 13 . c15272_2jqb DPN H2 . H2 . . H . . N 0 . . . . no yes . . . . 35.518 . 5.472 . 12.347 . -1.589 1.658 1.666 14 . c15272_2jqb DPN HA . HA . . H . . N 0 . . . . no no . . . . 34.119 . 4.977 . 9.862 . -1.019 -0.614 1.229 15 . c15272_2jqb DPN HXT . HXT . . H . . N 0 . . . . no yes . . . . 33.129 . 8.306 . 9.333 . -4.198 -1.462 -0.192 16 . c15272_2jqb DPN HB2 . HB2 . . H . . N 0 . . . . no no . . . . 36.529 . 4.894 . 9.889 . -0.644 -1.260 -1.170 17 . c15272_2jqb DPN HB3 . HB3 . . H . . N 0 . . . . no no . . . . 35.996 . 6.431 . 9.045 . -0.627 0.468 -1.597 18 . c15272_2jqb DPN HD1 . HD1 . . H . . N 0 . . . . no no . . . . 37.782 . 5.005 . 11.893 . 1.160 -2.237 0.128 19 . c15272_2jqb DPN HD2 . HD2 . . H . . N 0 . . . . no no . . . . 36.273 . 8.587 . 10.128 . 1.204 1.900 -0.905 20 . c15272_2jqb DPN HE1 . HE1 . . H . . N 0 . . . . no no . . . . 39.231 . 6.341 . 13.372 . 3.536 -2.105 0.761 21 . c15272_2jqb DPN HE2 . HE2 . . H . . N 0 . . . . no no . . . . 37.715 . 9.935 . 11.602 . 3.581 2.033 -0.273 22 . c15272_2jqb DPN HZ . HZ . . H . . N 0 . . . . no no . . . . 39.202 . 8.811 . 13.224 . 4.745 0.031 0.564 23 . c15272_2jqb DPN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c15272_2jqb DPN 2 . SING N H no N 2 . c15272_2jqb DPN 3 . SING N H2 no N 3 . c15272_2jqb DPN 4 . SING CA C no N 4 . c15272_2jqb DPN 5 . SING CA CB no N 5 . c15272_2jqb DPN 6 . SING CA HA no N 6 . c15272_2jqb DPN 7 . DOUB C O no N 7 . c15272_2jqb DPN 8 . SING C OXT no N 8 . c15272_2jqb DPN 9 . SING OXT HXT no N 9 . c15272_2jqb DPN 10 . SING CB CG no N 10 . c15272_2jqb DPN 11 . SING CB HB2 no N 11 . c15272_2jqb DPN 12 . SING CB HB3 no N 12 . c15272_2jqb DPN 13 . DOUB CG CD1 yes N 13 . c15272_2jqb DPN 14 . SING CG CD2 yes N 14 . c15272_2jqb DPN 15 . SING CD1 CE1 yes N 15 . c15272_2jqb DPN 16 . SING CD1 HD1 no N 16 . c15272_2jqb DPN 17 . DOUB CD2 CE2 yes N 17 . c15272_2jqb DPN 18 . SING CD2 HD2 no N 18 . c15272_2jqb DPN 19 . DOUB CE1 CZ yes N 19 . c15272_2jqb DPN 20 . SING CE1 HE1 no N 20 . c15272_2jqb DPN 21 . SING CE2 CZ yes N 21 . c15272_2jqb DPN 22 . SING CE2 HE2 no N 22 . c15272_2jqb DPN 23 . SING CZ HZ no N 23 . c15272_2jqb DPN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c15272_2jqb _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mr12 at pH5' 'natural abundance' . . 1 $mr12_at_pH5 . . 2.0 . . mM . . . . c15272_2jqb 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c15272_2jqb 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . c15272_2jqb 1 4 D2O . . . . . . . 10 . . % . . . . c15272_2jqb 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c15272_2jqb _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'mr12 at pH5' 'natural abundance' . . 1 $mr12_at_pH5 . . 2.0 . . mM . . . . c15272_2jqb 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . c15272_2jqb 2 3 D2O . . . . . . . 100 . . % . . . . c15272_2jqb 2 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 c15272_2jqb _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 temperature 300 . K c15272_2jqb 1 pH 5 . pH c15272_2jqb 1 pressure 1 . atm c15272_2jqb 1 'ionic strength' 20 . mM c15272_2jqb 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID c15272_2jqb _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c15272_2jqb 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c15272_2jqb 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c15272_2jqb _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c15272_2jqb 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c15272_2jqb 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c15272_2jqb _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c15272_2jqb 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c15272_2jqb 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c15272_2jqb _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c15272_2jqb 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c15272_2jqb 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c15272_2jqb _Software.ID 5 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . c15272_2jqb 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c15272_2jqb 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c15272_2jqb _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 c15272_2jqb _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . c15272_2jqb 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 c15272_2jqb _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.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c15272_2jqb 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c15272_2jqb 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c15272_2jqb 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c15272_2jqb _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 c15272_2jqb 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_chem-shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem-shift_1 _Assigned_chem_shift_list.Entry_ID c15272_2jqb _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c15272_2jqb 1 3 '2D 1H-1H NOESY' . . . c15272_2jqb 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.274 0.004 . . . . . . 1 ASP HA . c15272_2jqb 1 2 . 1 1 1 1 ASP HB2 H 1 2.863 0.003 . . . . . . 1 ASP HB2 . c15272_2jqb 1 3 . 1 1 1 1 ASP HB3 H 1 2.782 0.001 . . . . . . 1 ASP HB3 . c15272_2jqb 1 4 . 1 1 2 2 TRP H H 1 8.753 0.002 . . . . . . 2 TRP H . c15272_2jqb 1 5 . 1 1 2 2 TRP HA H 1 4.694 0.004 . . . . . . 2 TRP HA . c15272_2jqb 1 6 . 1 1 2 2 TRP HB2 H 1 3.290 0.002 . 2 . . . . 2 TRP HB2 . c15272_2jqb 1 7 . 1 1 2 2 TRP HD1 H 1 7.251 0.003 . . . . . . 2 TRP HD1 . c15272_2jqb 1 8 . 1 1 2 2 TRP HE1 H 1 10.170 0.002 . . . . . . 2 TRP HE1 . c15272_2jqb 1 9 . 1 1 2 2 TRP HE3 H 1 7.657 0.001 . . . . . . 2 TRP HE3 . c15272_2jqb 1 10 . 1 1 2 2 TRP HH2 H 1 7.290 0.003 . . . . . . 2 TRP HH2 . c15272_2jqb 1 11 . 1 1 2 2 TRP HZ2 H 1 7.538 0.003 . . . . . . 2 TRP HZ2 . c15272_2jqb 1 12 . 1 1 2 2 TRP HZ3 H 1 7.183 0.001 . . . . . . 2 TRP HZ3 . c15272_2jqb 1 13 . 1 1 3 3 GLU H H 1 8.159 0.002 . . . . . . 3 GLU H . c15272_2jqb 1 14 . 1 1 3 3 GLU HA H 1 4.175 0.003 . . . . . . 3 GLU HA . c15272_2jqb 1 15 . 1 1 3 3 GLU HB2 H 1 1.757 0.002 . . . . . . 3 GLU HB2 . c15272_2jqb 1 16 . 1 1 3 3 GLU HB3 H 1 1.833 0.005 . . . . . . 3 GLU HB3 . c15272_2jqb 1 17 . 1 1 3 3 GLU HG2 H 1 2.103 0.003 . 2 . . . . 3 GLU HG2 . c15272_2jqb 1 18 . 1 1 4 4 TYR H H 1 8.153 0.002 . . . . . . 4 TYR H . c15272_2jqb 1 19 . 1 1 4 4 TYR HA H 1 4.334 0.003 . . . . . . 4 TYR HA . c15272_2jqb 1 20 . 1 1 4 4 TYR HB2 H 1 2.866 0.003 . . . . . . 4 TYR HB2 . c15272_2jqb 1 21 . 1 1 4 4 TYR HB3 H 1 2.947 0.004 . . . . . . 4 TYR HB3 . c15272_2jqb 1 22 . 1 1 4 4 TYR HD1 H 1 7.104 0.003 . 3 . . . . 4 TYR HD1 . c15272_2jqb 1 23 . 1 1 4 4 TYR HE1 H 1 6.840 0.004 . 3 . . . . 4 TYR HE1 . c15272_2jqb 1 24 . 1 1 5 5 HIS H H 1 8.214 0.006 . . . . . . 5 HIS H . c15272_2jqb 1 25 . 1 1 5 5 HIS HA H 1 4.545 0.004 . . . . . . 5 HIS HA . c15272_2jqb 1 26 . 1 1 5 5 HIS HB2 H 1 3.159 0.005 . . . . . . 5 HIS HB2 . c15272_2jqb 1 27 . 1 1 5 5 HIS HB3 H 1 3.019 0.005 . . . . . . 5 HIS HB3 . c15272_2jqb 1 28 . 1 1 5 5 HIS HD2 H 1 7.206 0.003 . . . . . . 5 HIS HD2 . c15272_2jqb 1 29 . 1 1 5 5 HIS HE1 H 1 8.566 0.003 . . . . . . 5 HIS HE1 . c15272_2jqb 1 30 . 1 1 6 6 ALA H H 1 8.312 0.003 . . . . . . 6 ALA H . c15272_2jqb 1 31 . 1 1 6 6 ALA HA H 1 4.195 0.003 . . . . . . 6 ALA HA . c15272_2jqb 1 32 . 1 1 6 6 ALA HB1 H 1 1.368 0.003 . . . . . . 6 ALA HB . c15272_2jqb 1 33 . 1 1 6 6 ALA HB2 H 1 1.368 0.003 . . . . . . 6 ALA HB . c15272_2jqb 1 34 . 1 1 6 6 ALA HB3 H 1 1.368 0.003 . . . . . . 6 ALA HB . c15272_2jqb 1 35 . 1 1 7 7 HIS H H 1 8.560 0.001 . . . . . . 7 HIS H . c15272_2jqb 1 36 . 1 1 7 7 HIS HA H 1 4.997 0.001 . . . . . . 7 HIS HA . c15272_2jqb 1 37 . 1 1 7 7 HIS HB2 H 1 3.265 0.003 . . . . . . 7 HIS HB2 . c15272_2jqb 1 38 . 1 1 7 7 HIS HB3 H 1 3.177 0.005 . . . . . . 7 HIS HB3 . c15272_2jqb 1 39 . 1 1 7 7 HIS HD2 H 1 7.371 0.001 . . . . . . 7 HIS HD2 . c15272_2jqb 1 40 . 1 1 7 7 HIS HE1 H 1 8.618 0.002 . . . . . . 7 HIS HE1 . c15272_2jqb 1 41 . 1 1 8 8 PRO HA H 1 4.457 0.004 . . . . . . 8 PRO HA . c15272_2jqb 1 42 . 1 1 8 8 PRO HB2 H 1 1.919 0.002 . . . . . . 8 PRO HB2 . c15272_2jqb 1 43 . 1 1 8 8 PRO HB3 H 1 2.272 0.004 . . . . . . 8 PRO HB3 . c15272_2jqb 1 44 . 1 1 8 8 PRO HD2 H 1 3.748 0.004 . . . . . . 8 PRO HD2 . c15272_2jqb 1 45 . 1 1 8 8 PRO HD3 H 1 3.580 0.004 . . . . . . 8 PRO HD3 . c15272_2jqb 1 46 . 1 1 8 8 PRO HG2 H 1 2.008 0.003 . . . . . . 8 PRO HG2 . c15272_2jqb 1 47 . 1 1 9 9 LYS H H 1 8.589 0.001 . . . . . . 9 LYS H . c15272_2jqb 1 48 . 1 1 9 9 LYS HA H 1 4.580 0.000 . . . . . . 9 LYS HA . c15272_2jqb 1 49 . 1 1 9 9 LYS HB2 H 1 1.716 0.004 . . . . . . 9 LYS HB2 . c15272_2jqb 1 50 . 1 1 9 9 LYS HB3 H 1 1.812 0.004 . . . . . . 9 LYS HB3 . c15272_2jqb 1 51 . 1 1 9 9 LYS HD2 H 1 1.664 0.003 . 2 . . . . 9 LYS HD2 . c15272_2jqb 1 52 . 1 1 9 9 LYS HE2 H 1 2.968 0.000 . 2 . . . . 9 LYS HE2 . c15272_2jqb 1 53 . 1 1 9 9 LYS HG2 H 1 1.471 0.003 . 2 . . . . 9 LYS HG2 . c15272_2jqb 1 54 . 1 1 10 10 HYP HA H 1 4.585 0.006 . . . . . . 10 HYP HA . c15272_2jqb 1 55 . 1 1 10 10 HYP HB2 H 1 2.402 0.002 . . . . . . 10 HYP HB2 . c15272_2jqb 1 56 . 1 1 10 10 HYP HB3 H 1 2.396 0.002 . . . . . . 10 HYP HB3 . c15272_2jqb 1 57 . 1 1 10 10 HYP HD22 H 1 3.726 0.004 . . . . . . 10 HYP HD2 . c15272_2jqb 1 58 . 1 1 10 10 HYP HD23 H 1 3.890 0.004 . . . . . . 10 HYP HD3 . c15272_2jqb 1 59 . 1 1 10 10 HYP HG H 1 2.110 0.001 . . . . . . 10 HYP HG . c15272_2jqb 1 60 . 1 1 11 11 ASN H H 1 8.828 0.002 . . . . . . 11 ASN H . c15272_2jqb 1 61 . 1 1 11 11 ASN HA H 1 4.593 0.004 . . . . . . 11 ASN HA . c15272_2jqb 1 62 . 1 1 11 11 ASN HB2 H 1 2.804 0.005 . 2 . . . . 11 ASN HB2 . c15272_2jqb 1 63 . 1 1 11 11 ASN HD21 H 1 6.981 0.001 . . . . . . 11 ASN HD21 . c15272_2jqb 1 64 . 1 1 11 11 ASN HD22 H 1 7.642 0.002 . . . . . . 11 ASN HD22 . c15272_2jqb 1 65 . 1 1 12 12 SER H H 1 8.156 0.002 . . . . . . 12 SER H . c15272_2jqb 1 66 . 1 1 12 12 SER HA H 1 4.333 0.004 . . . . . . 12 SER HA . c15272_2jqb 1 67 . 1 1 12 12 SER HB2 H 1 3.698 0.002 . . . . . . 12 SER HB2 . c15272_2jqb 1 68 . 1 1 12 12 SER HB3 H 1 3.757 0.004 . . . . . . 12 SER HB3 . c15272_2jqb 1 69 . 1 1 13 13 DPN H H 1 8.047 0.003 . . . . . . 13 DPN H . c15272_2jqb 1 70 . 1 1 13 13 DPN HA H 1 4.622 0.002 . . . . . . 13 DPN HA . c15272_2jqb 1 71 . 1 1 13 13 DPN HB2 H 1 2.832 0.005 . . . . . . 13 DPN HB2 . c15272_2jqb 1 72 . 1 1 13 13 DPN HB3 H 1 2.732 0.001 . . . . . . 13 DPN HB3 . c15272_2jqb 1 73 . 1 1 13 13 DPN HD1 H 1 7.298 0.005 . 3 . . . . 13 DPN HD1 . c15272_2jqb 1 74 . 1 1 13 13 DPN HE1 H 1 7.298 0.005 . 3 . . . . 13 DPN HE1 . c15272_2jqb 1 75 . 1 1 14 14 TRP H H 1 8.384 0.003 . . . . . . 14 TRP H . c15272_2jqb 1 76 . 1 1 14 14 TRP HA H 1 4.864 0.001 . . . . . . 14 TRP HA . c15272_2jqb 1 77 . 1 1 14 14 TRP HB2 H 1 3.200 0.002 . . . . . . 14 TRP HB2 . c15272_2jqb 1 78 . 1 1 14 14 TRP HB3 H 1 3.426 0.005 . . . . . . 14 TRP HB3 . c15272_2jqb 1 79 . 1 1 14 14 TRP HD1 H 1 7.236 0.003 . . . . . . 14 TRP HD1 . c15272_2jqb 1 80 . 1 1 14 14 TRP HE1 H 1 10.175 0.006 . . . . . . 14 TRP HE1 . c15272_2jqb 1 81 . 1 1 14 14 TRP HE3 H 1 7.728 0.002 . . . . . . 14 TRP HE3 . c15272_2jqb 1 82 . 1 1 14 14 TRP HZ3 H 1 7.211 0.000 . . . . . . 14 TRP HZ3 . c15272_2jqb 1 83 . 1 1 15 15 THR H H 1 7.867 0.004 . . . . . . 15 THR H . c15272_2jqb 1 84 . 1 1 15 15 THR HA H 1 4.291 0.003 . . . . . . 15 THR HA . c15272_2jqb 1 85 . 1 1 15 15 THR HB H 1 4.248 0.000 . . . . . . 15 THR HB . c15272_2jqb 1 86 . 1 1 15 15 THR HG21 H 1 1.192 0.005 . . . . . . 15 THR HG2 . c15272_2jqb 1 87 . 1 1 15 15 THR HG22 H 1 1.192 0.005 . . . . . . 15 THR HG2 . c15272_2jqb 1 88 . 1 1 15 15 THR HG23 H 1 1.192 0.005 . . . . . . 15 THR HG2 . c15272_2jqb 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 c15272_2jqb _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 c15272_2jqb _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 . . . c15272_2jqb 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 . . . . c15272_2jqb 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 ASP C C -0.953 1.354 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 1 . 2 . 1 1 1 ASP CA C -1.362 -0.117 -2.061 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 1 . 3 . 1 1 1 ASP CB C -1.558 -0.763 -3.443 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 1 . 4 . 1 1 1 ASP CG C -2.417 0.140 -4.335 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 1 . 5 . 1 1 1 ASP H1 H -2.424 0.200 -0.335 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 1 . 6 . 1 1 1 ASP H2 H -2.827 -1.204 -1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 1 . 7 . 1 1 1 ASP H3 H -3.347 0.243 -1.680 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 1 . 8 . 1 1 1 ASP HA H -0.556 -0.647 -1.553 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 1 . 9 . 1 1 1 ASP HB2 H -0.582 -0.916 -3.908 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 10 . 1 1 1 ASP HB3 H -2.027 -1.743 -3.334 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 11 . 1 1 1 ASP N N -2.582 -0.237 -1.230 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 1 . 12 . 1 1 1 ASP O O -1.630 2.247 -1.687 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 1 . 13 . 1 1 1 ASP OD1 O -3.656 0.157 -4.144 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 1 . 14 . 1 1 1 ASP OD2 O -1.844 0.856 -5.188 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 1 . 15 . 1 1 2 TRP C C 1.225 3.095 -4.593 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 1 . 16 . 1 1 2 TRP CA C 0.673 2.964 -3.168 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 1 . 17 . 1 1 2 TRP CB C 1.664 3.350 -2.055 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 1 . 18 . 1 1 2 TRP CD1 C 2.999 1.321 -1.281 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 1 . 19 . 1 1 2 TRP CD2 C 4.221 2.755 -2.491 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 20 . 1 1 2 TRP CE2 C 5.082 1.670 -2.150 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 1 . 21 . 1 1 2 TRP CE3 C 4.772 3.801 -3.257 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 1 . 22 . 1 1 2 TRP CG C 2.896 2.500 -1.937 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 1 . 23 . 1 1 2 TRP CH2 C 6.937 2.677 -3.336 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 1 . 24 . 1 1 2 TRP CZ2 C 6.423 1.626 -2.563 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 1 . 25 . 1 1 2 TRP CZ3 C 6.113 3.764 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 1 . 26 . 1 1 2 TRP H H 0.679 0.852 -3.311 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 1 . 27 . 1 1 2 TRP HA H -0.157 3.659 -3.152 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 1 . 28 . 1 1 2 TRP HB2 H 1.975 4.383 -2.217 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 29 . 1 1 2 TRP HB3 H 1.139 3.331 -1.099 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 30 . 1 1 2 TRP HD1 H 2.195 0.834 -0.744 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 31 . 1 1 2 TRP HE1 H 4.577 -0.052 -0.992 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 32 . 1 1 2 TRP HE3 H 4.133 4.632 -3.525 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 1 . 33 . 1 1 2 TRP HH2 H 7.968 2.640 -3.659 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 1 . 34 . 1 1 2 TRP HZ2 H 7.061 0.797 -2.298 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 1 . 35 . 1 1 2 TRP HZ3 H 6.507 4.571 -4.288 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 1 . 36 . 1 1 2 TRP N N 0.154 1.619 -2.911 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 1 . 37 . 1 1 2 TRP NE1 N 4.283 0.827 -1.405 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 1 . 38 . 1 1 2 TRP O O 2.147 3.870 -4.851 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 1 . 39 . 1 1 3 GLU C C 0.623 3.643 -7.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 1 . 40 . 1 1 3 GLU CA C 1.076 2.330 -6.919 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 1 . 41 . 1 1 3 GLU CB C 0.520 1.094 -7.631 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 1 . 42 . 1 1 3 GLU CD C 0.586 -0.360 -9.708 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 1 . 43 . 1 1 3 GLU CG C 1.118 0.914 -9.033 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 1 . 44 . 1 1 3 GLU H H -0.192 1.833 -5.275 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 1 . 45 . 1 1 3 GLU HA H 2.158 2.257 -6.955 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 1 . 46 . 1 1 3 GLU HB2 H 0.748 0.212 -7.030 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 47 . 1 1 3 GLU HB3 H -0.556 1.193 -7.709 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 48 . 1 1 3 GLU HG2 H 0.869 1.781 -9.647 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 1 . 49 . 1 1 3 GLU HG3 H 2.205 0.859 -8.954 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 1 . 50 . 1 1 3 GLU N N 0.659 2.331 -5.525 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 1 . 51 . 1 1 3 GLU O O -0.568 3.967 -7.562 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 1 . 52 . 1 1 3 GLU OE1 O 1.207 -1.439 -9.551 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 1 . 53 . 1 1 3 GLU OE2 O -0.447 -0.293 -10.418 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 1 . 54 . 1 1 4 TYR C C 1.507 5.428 -10.365 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 1 . 55 . 1 1 4 TYR CA C 1.311 5.637 -8.859 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 1 . 56 . 1 1 4 TYR CB C 2.200 6.772 -8.330 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 1 . 57 . 1 1 4 TYR CD1 C 0.393 8.238 -7.314 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 1 . 58 . 1 1 4 TYR CD2 C 1.937 9.228 -8.914 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 59 . 1 1 4 TYR CE1 C -0.273 9.471 -7.186 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 1 . 60 . 1 1 4 TYR CE2 C 1.279 10.464 -8.795 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 1 . 61 . 1 1 4 TYR CG C 1.494 8.109 -8.183 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 1 . 62 . 1 1 4 TYR CZ C 0.167 10.592 -7.930 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 1 . 63 . 1 1 4 TYR H H 2.536 4.097 -8.076 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 1 . 64 . 1 1 4 TYR HA H 0.282 5.943 -8.705 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 1 . 65 . 1 1 4 TYR HB2 H 2.614 6.496 -7.359 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 66 . 1 1 4 TYR HB3 H 3.016 6.890 -9.035 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 67 . 1 1 4 TYR HD1 H 0.054 7.387 -6.739 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 68 . 1 1 4 TYR HD2 H 2.797 9.149 -9.560 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 69 . 1 1 4 TYR HE1 H -1.118 9.555 -6.517 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 70 . 1 1 4 TYR HE2 H 1.629 11.319 -9.358 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 1 . 71 . 1 1 4 TYR HH H -1.215 11.781 -7.198 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 1 . 72 . 1 1 4 TYR N N 1.573 4.402 -8.121 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 1 . 73 . 1 1 4 TYR O O 1.928 4.356 -10.811 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 1 . 74 . 1 1 4 TYR OH O -0.468 11.794 -7.816 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 1 . 75 . 1 1 5 HIS C C 2.657 7.349 -12.877 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 1 . 76 . 1 1 5 HIS CA C 1.394 6.531 -12.576 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 1 . 77 . 1 1 5 HIS CB C 0.135 7.132 -13.240 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 1 . 78 . 1 1 5 HIS CD2 C -1.160 5.172 -14.266 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 79 . 1 1 5 HIS CE1 C -0.809 5.551 -16.420 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 1 . 80 . 1 1 5 HIS CG C -0.385 6.295 -14.383 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 1 . 81 . 1 1 5 HIS H H 1.001 7.342 -10.649 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 1 . 82 . 1 1 5 HIS HA H 1.528 5.521 -12.960 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 1 . 83 . 1 1 5 HIS HB2 H -0.655 7.234 -12.498 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 84 . 1 1 5 HIS HB3 H 0.336 8.135 -13.619 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 85 . 1 1 5 HIS HD1 H 0.351 7.285 -16.143 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 86 . 1 1 5 HIS HD2 H -1.512 4.720 -13.346 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 87 . 1 1 5 HIS HE1 H -0.832 5.458 -17.499 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 88 . 1 1 5 HIS HE2 H -1.966 3.903 -15.796 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 1 . 89 . 1 1 5 HIS N N 1.227 6.484 -11.129 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 1 . 90 . 1 1 5 HIS ND1 N -0.175 6.521 -15.734 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 1 . 91 . 1 1 5 HIS NE2 N -1.414 4.719 -15.548 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 1 . 92 . 1 1 5 HIS O O 3.660 6.821 -13.363 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 1 . 93 . 1 1 6 ALA C C 4.690 9.531 -11.532 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 1 . 94 . 1 1 6 ALA CA C 3.734 9.585 -12.726 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 1 . 95 . 1 1 6 ALA CB C 3.167 10.990 -12.968 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 1 . 96 . 1 1 6 ALA H H 1.790 8.991 -12.095 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 1 . 97 . 1 1 6 ALA HA H 4.303 9.277 -13.609 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 1 . 98 . 1 1 6 ALA HB1 H 2.612 11.325 -12.090 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 1 . 99 . 1 1 6 ALA HB2 H 3.989 11.683 -13.150 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 100 . 1 1 6 ALA HB3 H 2.510 10.983 -13.838 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 101 . 1 1 6 ALA N N 2.635 8.641 -12.526 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 1 . 102 . 1 1 6 ALA O O 4.915 10.526 -10.839 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 1 . 103 . 1 1 7 HIS C C 7.416 8.921 -10.338 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 1 . 104 . 1 1 7 HIS CA C 6.157 8.035 -10.230 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 1 . 105 . 1 1 7 HIS CB C 6.540 6.547 -10.277 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 1 . 106 . 1 1 7 HIS CD2 C 5.981 4.864 -12.128 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 107 . 1 1 7 HIS CE1 C 7.149 5.718 -13.805 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 1 . 108 . 1 1 7 HIS CG C 6.672 5.949 -11.661 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 1 . 109 . 1 1 7 HIS H H 4.917 7.558 -11.848 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 1 . 110 . 1 1 7 HIS HA H 5.653 8.221 -9.288 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 1 . 111 . 1 1 7 HIS HB2 H 7.491 6.431 -9.767 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 112 . 1 1 7 HIS HB3 H 5.814 5.996 -9.683 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 113 . 1 1 7 HIS HD1 H 8.001 7.288 -12.696 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 114 . 1 1 7 HIS HD2 H 5.276 4.255 -11.574 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 115 . 1 1 7 HIS HE1 H 7.529 5.911 -14.800 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 116 . 1 1 7 HIS HE2 H 5.914 4.037 -14.106 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 1 . 117 . 1 1 7 HIS N N 5.189 8.328 -11.262 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 1 . 118 . 1 1 7 HIS ND1 N 7.410 6.464 -12.716 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 1 . 119 . 1 1 7 HIS NE2 N 6.297 4.729 -13.468 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 1 . 120 . 1 1 7 HIS O O 7.771 9.357 -11.442 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 1 . 121 . 1 1 8 PRO C C 10.471 9.464 -9.909 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 1 . 122 . 1 1 8 PRO CA C 9.279 10.002 -9.118 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 1 . 123 . 1 1 8 PRO CB C 9.584 10.117 -7.622 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 1 . 124 . 1 1 8 PRO CD C 7.832 8.536 -7.911 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 1 . 125 . 1 1 8 PRO CG C 9.028 8.834 -7.019 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 1 . 126 . 1 1 8 PRO HA H 9.030 10.992 -9.507 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 1 . 127 . 1 1 8 PRO HB2 H 10.647 10.179 -7.429 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 128 . 1 1 8 PRO HB3 H 9.061 10.983 -7.212 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 129 . 1 1 8 PRO HD2 H 7.688 7.460 -7.985 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 130 . 1 1 8 PRO HD3 H 6.941 9.002 -7.507 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 1 . 131 . 1 1 8 PRO HG2 H 9.764 8.034 -7.115 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 1 . 132 . 1 1 8 PRO HG3 H 8.735 8.966 -5.977 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 1 . 133 . 1 1 8 PRO N N 8.122 9.129 -9.210 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 1 . 134 . 1 1 8 PRO O O 10.626 8.261 -10.127 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 1 . 135 . 1 1 9 LYS C C 13.743 10.008 -10.186 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 1 . 136 . 1 1 9 LYS CA C 12.521 10.183 -11.110 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 1 . 137 . 1 1 9 LYS CB C 12.676 11.420 -12.005 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 1 . 138 . 1 1 9 LYS CD C 11.869 12.674 -14.073 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 1 . 139 . 1 1 9 LYS CE C 13.118 12.520 -14.954 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 1 . 140 . 1 1 9 LYS CG C 11.661 11.455 -13.162 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 1 . 141 . 1 1 9 LYS H H 11.152 11.363 -10.075 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 1 . 142 . 1 1 9 LYS HA H 12.406 9.291 -11.727 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 1 . 143 . 1 1 9 LYS HB2 H 12.550 12.309 -11.388 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 144 . 1 1 9 LYS HB3 H 13.680 11.443 -12.400 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 145 . 1 1 9 LYS HD2 H 10.994 12.780 -14.717 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 146 . 1 1 9 LYS HD3 H 11.951 13.571 -13.455 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 1 . 147 . 1 1 9 LYS HE2 H 13.969 12.245 -14.330 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 1 . 148 . 1 1 9 LYS HE3 H 12.946 11.717 -15.675 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 1 . 149 . 1 1 9 LYS HG2 H 11.744 10.542 -13.754 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 1 . 150 . 1 1 9 LYS HG3 H 10.653 11.505 -12.748 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 1 . 151 . 1 1 9 LYS HZ1 H 14.229 13.631 -16.295 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 1 . 152 . 1 1 9 LYS HZ2 H 13.706 14.491 -15.005 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 1 . 153 . 1 1 9 LYS HZ3 H 12.662 14.098 -16.219 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 1 . 154 . 1 1 9 LYS N N 11.317 10.401 -10.330 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 1 . 155 . 1 1 9 LYS NZ N 13.446 13.773 -15.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 1 . 156 . 1 1 9 LYS O O 13.659 10.332 -8.995 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 1 . 157 . 1 1 10 HYP C C 16.837 10.757 -9.903 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 1 . 158 . 1 1 10 HYP CA C 16.126 9.391 -9.958 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 1 . 159 . 1 1 10 HYP CB C 16.879 8.259 -10.671 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 1 . 160 . 1 1 10 HYP CD C 15.053 8.983 -12.054 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 1 . 161 . 1 1 10 HYP CG C 16.488 8.457 -12.135 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 1 . 162 . 1 1 10 HYP HA H 15.920 9.075 -8.934 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 1 . 163 . 1 1 10 HYP HB2 H 17.958 8.295 -10.520 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 164 . 1 1 10 HYP HB3 H 16.494 7.302 -10.314 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 165 . 1 1 10 HYP HD1 H 16.408 7.455 -13.794 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 166 . 1 1 10 HYP HD22 H 14.333 8.178 -12.207 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 1 . 167 . 1 1 10 HYP HD23 H 14.918 9.756 -12.812 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 1 . 168 . 1 1 10 HYP HG H 17.133 9.213 -12.581 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 1 . 169 . 1 1 10 HYP N N 14.885 9.524 -10.709 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 1 . 170 . 1 1 10 HYP O O 16.281 11.720 -9.373 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 1 . 171 . 1 1 10 HYP OD1 O 16.568 7.244 -12.855 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 1 . 172 . 1 1 11 ASN C C 18.556 13.193 -11.280 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 1 . 173 . 1 1 11 ASN CA C 18.940 12.042 -10.337 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 1 . 174 . 1 1 11 ASN CB C 20.401 11.600 -10.510 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 1 . 175 . 1 1 11 ASN CG C 20.788 11.248 -11.952 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 1 . 176 . 1 1 11 ASN H H 18.423 10.090 -10.959 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 1 . 177 . 1 1 11 ASN HA H 18.841 12.418 -9.318 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 1 . 178 . 1 1 11 ASN HB2 H 21.026 12.417 -10.158 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 179 . 1 1 11 ASN HB3 H 20.592 10.743 -9.865 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 180 . 1 1 11 ASN HD21 H 22.369 12.524 -11.932 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 1 . 181 . 1 1 11 ASN HD22 H 22.133 11.625 -13.427 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 1 . 182 . 1 1 11 ASN N N 18.050 10.880 -10.453 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 1 . 183 . 1 1 11 ASN ND2 N 21.857 11.838 -12.476 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 1 . 184 . 1 1 11 ASN O O 19.401 13.831 -11.909 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 1 . 185 . 1 1 11 ASN OD1 O 20.131 10.433 -12.600 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 1 . 186 . 1 1 12 SER C C 17.244 15.898 -11.958 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 1 . 187 . 1 1 12 SER CA C 16.716 14.491 -12.275 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 1 . 188 . 1 1 12 SER CB C 15.183 14.411 -12.226 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 1 . 189 . 1 1 12 SER H H 16.629 12.970 -10.778 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 1 . 190 . 1 1 12 SER HA H 17.056 14.233 -13.269 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 1 . 191 . 1 1 12 SER HB2 H 14.887 13.364 -12.267 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 192 . 1 1 12 SER HB3 H 14.829 14.829 -11.282 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 193 . 1 1 12 SER HG H 14.778 16.032 -13.258 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 1 . 194 . 1 1 12 SER N N 17.263 13.485 -11.374 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 1 . 195 . 1 1 12 SER O O 17.297 16.750 -12.846 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 1 . 196 . 1 1 12 SER OG O 14.567 15.078 -13.319 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 1 . 197 . 1 1 13 . C C 19.547 17.825 -10.905 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 1 . 198 . 1 1 13 . CA C 18.261 17.364 -10.188 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 1 . 199 . 1 1 13 . CB C 17.193 18.453 -10.191 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 1 . 200 . 1 1 13 . CD1 C 16.309 18.700 -7.828 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 1 . 201 . 1 1 13 . CD2 C 14.889 17.638 -9.499 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 202 . 1 1 13 . CE1 C 15.308 18.513 -6.858 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 1 . 203 . 1 1 13 . CE2 C 13.889 17.449 -8.529 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 1 . 204 . 1 1 13 . CG C 16.103 18.264 -9.152 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 1 . 205 . 1 1 13 . CZ C 14.098 17.888 -7.209 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 1 . 206 . 1 1 13 . H H 17.604 15.354 -10.072 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 1 . 207 . 1 1 13 . HA H 18.542 17.177 -9.151 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 1 . 208 . 1 1 13 . HB2 H 16.748 18.537 -11.179 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 209 . 1 1 13 . HB3 H 17.717 19.377 -10.004 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 210 . 1 1 13 . HD1 H 17.238 19.178 -7.552 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 211 . 1 1 13 . HD2 H 14.723 17.299 -10.511 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 1 . 212 . 1 1 13 . HE1 H 15.470 18.850 -5.843 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 213 . 1 1 13 . HE2 H 12.958 16.967 -8.798 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 1 . 214 . 1 1 13 . HZ H 13.328 17.743 -6.462 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 1 . 215 . 1 1 13 . N N 17.694 16.120 -10.716 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 1 . 216 . 1 1 13 . O O 20.043 18.931 -10.677 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 1 . 217 . 1 1 14 TRP C C 21.048 17.631 -13.956 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 1 . 218 . 1 1 14 TRP CA C 21.320 17.166 -12.514 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 1 . 219 . 1 1 14 TRP CB C 22.092 15.841 -12.481 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 1 . 220 . 1 1 14 TRP CD1 C 21.881 15.041 -10.062 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 1 . 221 . 1 1 14 TRP CD2 C 24.001 15.373 -10.687 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 1 . 222 . 1 1 14 TRP CE2 C 24.039 14.928 -9.333 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 1 . 223 . 1 1 14 TRP CE3 C 25.232 15.671 -11.303 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 1 . 224 . 1 1 14 TRP CG C 22.613 15.426 -11.133 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 1 . 225 . 1 1 14 TRP CH2 C 26.457 15.074 -9.276 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 1 . 226 . 1 1 14 TRP CZ2 C 25.245 14.775 -8.629 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 1 . 227 . 1 1 14 TRP CZ3 C 26.449 15.523 -10.610 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 1 . 228 . 1 1 14 TRP H H 19.642 16.080 -11.862 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 1 . 229 . 1 1 14 TRP HA H 21.921 17.936 -12.030 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 1 . 230 . 1 1 14 TRP HB2 H 21.458 15.044 -12.881 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 1 . 231 . 1 1 14 TRP HB3 H 22.947 15.944 -13.146 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 1 . 232 . 1 1 14 TRP HD1 H 20.801 14.983 -10.033 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 1 . 233 . 1 1 14 TRP HE1 H 22.370 14.435 -8.098 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 1 . 234 . 1 1 14 TRP HE3 H 25.221 16.022 -12.324 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 1 . 235 . 1 1 14 TRP HH2 H 27.395 14.962 -8.747 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 1 . 236 . 1 1 14 TRP HZ2 H 25.241 14.435 -7.603 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 1 . 237 . 1 1 14 TRP HZ3 H 27.382 15.757 -11.105 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 1 . 238 . 1 1 14 TRP N N 20.098 16.967 -11.756 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 1 . 239 . 1 1 14 TRP NE1 N 22.714 14.739 -9.003 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 1 . 240 . 1 1 14 TRP O O 21.999 17.815 -14.722 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 1 . 241 . 1 1 15 THR C C 19.890 19.762 -15.832 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 1 . 242 . 1 1 15 THR CA C 19.406 18.312 -15.661 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 1 . 243 . 1 1 15 THR CB C 17.896 18.135 -15.924 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 1 . 244 . 1 1 15 THR CG2 C 17.557 16.672 -16.249 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 1 . 245 . 1 1 15 THR H H 19.045 17.658 -13.664 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 1 . 246 . 1 1 15 THR HA H 19.937 17.716 -16.406 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 1 . 247 . 1 1 15 THR HB H 17.637 18.733 -16.800 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 1 . 248 . 1 1 15 THR HG1 H 17.127 17.891 -14.133 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 1 . 249 . 1 1 15 THR HG21 H 16.487 16.571 -16.433 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 1 . 250 . 1 1 15 THR HG22 H 17.847 16.015 -15.428 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 1 . 251 . 1 1 15 THR HG23 H 18.091 16.365 -17.150 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 1 . 252 . 1 1 15 THR N N 19.779 17.798 -14.344 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 1 . 253 . 1 1 15 THR O O 20.253 20.135 -16.971 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 1 . 254 . 1 1 15 THR OXT O 19.944 20.523 -14.835 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 1 . 255 . 1 1 15 THR OG1 O 17.082 18.565 -14.843 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 2 . 256 . 1 1 1 ASP C C 1.223 0.316 -2.288 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 2 . 257 . 1 1 1 ASP CA C 2.043 0.025 -1.038 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 2 . 258 . 1 1 1 ASP CB C 3.506 0.448 -1.249 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 2 . 259 . 1 1 1 ASP CG C 4.284 0.418 0.071 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 2 . 260 . 1 1 1 ASP H1 H 0.970 -1.624 -0.438 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 2 . 261 . 1 1 1 ASP H2 H 2.530 -1.613 0.103 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 2 . 262 . 1 1 1 ASP H3 H 2.191 -1.973 -1.468 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 2 . 263 . 1 1 1 ASP HA H 1.646 0.618 -0.213 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 2 . 264 . 1 1 1 ASP HB2 H 3.985 -0.218 -1.971 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 265 . 1 1 1 ASP HB3 H 3.528 1.461 -1.658 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 266 . 1 1 1 ASP N N 1.924 -1.406 -0.678 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 2 . 267 . 1 1 1 ASP O O 1.135 -0.525 -3.188 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 2 . 268 . 1 1 1 ASP OD1 O 4.269 -0.637 0.749 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 2 . 269 . 1 1 1 ASP OD2 O 4.902 1.444 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 2 . 270 . 1 1 2 TRP C C 0.866 2.411 -4.592 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 2 . 271 . 1 1 2 TRP CA C -0.137 1.943 -3.533 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 2 . 272 . 1 1 2 TRP CB C -1.147 3.028 -3.130 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 2 . 273 . 1 1 2 TRP CD1 C -3.439 2.612 -4.125 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 2 . 274 . 1 1 2 TRP CD2 C -2.306 4.193 -5.237 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 275 . 1 1 2 TRP CE2 C -3.578 4.068 -5.874 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 2 . 276 . 1 1 2 TRP CE3 C -1.408 5.138 -5.776 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 2 . 277 . 1 1 2 TRP CG C -2.252 3.258 -4.116 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 2 . 278 . 1 1 2 TRP CH2 C -3.030 5.792 -7.482 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 2 . 279 . 1 1 2 TRP CZ2 C -3.941 4.853 -6.980 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 2 . 280 . 1 1 2 TRP CZ3 C -1.766 5.934 -6.883 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 2 . 281 . 1 1 2 TRP H H 0.762 2.187 -1.633 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 2 . 282 . 1 1 2 TRP HA H -0.706 1.101 -3.926 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 2 . 283 . 1 1 2 TRP HB2 H -1.610 2.739 -2.184 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 284 . 1 1 2 TRP HB3 H -0.623 3.969 -2.958 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 285 . 1 1 2 TRP HD1 H -3.738 1.845 -3.420 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 286 . 1 1 2 TRP HE1 H -5.160 2.737 -5.340 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 287 . 1 1 2 TRP HE3 H -0.431 5.239 -5.327 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 2 . 288 . 1 1 2 TRP HH2 H -3.310 6.398 -8.332 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 2 . 289 . 1 1 2 TRP HZ2 H -4.909 4.745 -7.446 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 2 . 290 . 1 1 2 TRP HZ3 H -1.067 6.658 -7.277 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 2 . 291 . 1 1 2 TRP N N 0.619 1.507 -2.366 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 2 . 292 . 1 1 2 TRP NE1 N -4.223 3.083 -5.157 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 2 . 293 . 1 1 2 TRP O O 1.567 3.407 -4.389 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 2 . 294 . 1 1 3 GLU C C 1.435 3.159 -7.548 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 2 . 295 . 1 1 3 GLU CA C 1.909 1.927 -6.770 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 2 . 296 . 1 1 3 GLU CB C 2.046 0.680 -7.650 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 2 . 297 . 1 1 3 GLU CD C 3.280 -0.470 -9.543 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 2 . 298 . 1 1 3 GLU CG C 3.111 0.832 -8.744 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 2 . 299 . 1 1 3 GLU H H 0.366 0.857 -5.779 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 2 . 300 . 1 1 3 GLU HA H 2.886 2.119 -6.338 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 2 . 301 . 1 1 3 GLU HB2 H 2.317 -0.168 -7.018 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 302 . 1 1 3 GLU HB3 H 1.084 0.476 -8.108 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 303 . 1 1 3 GLU HG2 H 2.823 1.636 -9.423 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 2 . 304 . 1 1 3 GLU HG3 H 4.062 1.105 -8.282 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 2 . 305 . 1 1 3 GLU N N 0.967 1.663 -5.691 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 2 . 306 . 1 1 3 GLU O O 0.287 3.210 -7.998 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 2 . 307 . 1 1 3 GLU OE1 O 2.526 -0.692 -10.521 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 2 . 308 . 1 1 3 GLU OE2 O 4.177 -1.281 -9.206 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 2 . 309 . 1 1 4 TYR C C 2.053 5.234 -9.910 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 2 . 310 . 1 1 4 TYR CA C 1.995 5.404 -8.387 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 2 . 311 . 1 1 4 TYR CB C 2.916 6.539 -7.916 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 2 . 312 . 1 1 4 TYR CD1 C 1.310 7.958 -6.565 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 2 . 313 . 1 1 4 TYR CD2 C 2.444 8.974 -8.465 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 314 . 1 1 4 TYR CE1 C 0.630 9.165 -6.320 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 2 . 315 . 1 1 4 TYR CE2 C 1.771 10.185 -8.228 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 2 . 316 . 1 1 4 TYR CG C 2.208 7.854 -7.644 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 2 . 317 . 1 1 4 TYR CZ C 0.855 10.285 -7.153 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 2 . 318 . 1 1 4 TYR H H 3.247 4.057 -7.328 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 2 . 319 . 1 1 4 TYR HA H 0.982 5.692 -8.125 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 2 . 320 . 1 1 4 TYR HB2 H 3.438 6.245 -7.005 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 321 . 1 1 4 TYR HB3 H 3.648 6.698 -8.701 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 322 . 1 1 4 TYR HD1 H 1.138 7.107 -5.921 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 323 . 1 1 4 TYR HD2 H 3.156 8.914 -9.273 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 324 . 1 1 4 TYR HE1 H -0.063 9.234 -5.493 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 325 . 1 1 4 TYR HE2 H 1.963 11.039 -8.864 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 2 . 326 . 1 1 4 TYR HH H 0.417 12.163 -7.533 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 2 . 327 . 1 1 4 TYR N N 2.312 4.157 -7.695 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 2 . 328 . 1 1 4 TYR O O 2.492 4.203 -10.429 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 2 . 329 . 1 1 4 TYR OH O 0.194 11.454 -6.910 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 2 . 330 . 1 1 5 HIS C C 2.858 7.242 -12.478 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 2 . 331 . 1 1 5 HIS CA C 1.657 6.381 -12.064 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 2 . 332 . 1 1 5 HIS CB C 0.316 6.956 -12.573 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 2 . 333 . 1 1 5 HIS CD2 C -1.012 4.985 -13.532 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 334 . 1 1 5 HIS CE1 C -0.895 5.446 -15.696 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 2 . 335 . 1 1 5 HIS CG C -0.291 6.138 -13.687 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 2 . 336 . 1 1 5 HIS H H 1.450 7.130 -10.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 2 . 337 . 1 1 5 HIS HA H 1.778 5.384 -12.485 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 2 . 338 . 1 1 5 HIS HB2 H -0.396 7.004 -11.750 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 339 . 1 1 5 HIS HB3 H 0.440 7.978 -12.934 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 340 . 1 1 5 HIS HD1 H 0.229 7.211 -15.475 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 341 . 1 1 5 HIS HD2 H -1.255 4.491 -12.598 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 342 . 1 1 5 HIS HE1 H -1.026 5.388 -16.770 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 343 . 1 1 5 HIS HE2 H -1.928 3.738 -15.019 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 2 . 344 . 1 1 5 HIS N N 1.651 6.294 -10.609 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 2 . 345 . 1 1 5 HIS ND1 N -0.226 6.416 -15.043 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 2 . 346 . 1 1 5 HIS NE2 N -1.381 4.565 -14.798 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 2 . 347 . 1 1 5 HIS O O 3.825 6.752 -13.063 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 2 . 348 . 1 1 6 ALA C C 4.924 9.530 -11.339 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 2 . 349 . 1 1 6 ALA CA C 3.858 9.517 -12.436 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 2 . 350 . 1 1 6 ALA CB C 3.208 10.891 -12.645 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 2 . 351 . 1 1 6 ALA H H 2.016 8.847 -11.600 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 2 . 352 . 1 1 6 ALA HA H 4.354 9.215 -13.364 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 2 . 353 . 1 1 6 ALA HB1 H 2.725 11.220 -11.723 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 2 . 354 . 1 1 6 ALA HB2 H 3.978 11.615 -12.916 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 355 . 1 1 6 ALA HB3 H 2.472 10.839 -13.447 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 356 . 1 1 6 ALA N N 2.825 8.531 -12.117 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 2 . 357 . 1 1 6 ALA O O 5.172 10.549 -10.690 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 2 . 358 . 1 1 7 HIS C C 7.786 9.060 -10.426 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 2 . 359 . 1 1 7 HIS CA C 6.578 8.135 -10.159 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 2 . 360 . 1 1 7 HIS CB C 7.004 6.659 -10.179 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 2 . 361 . 1 1 7 HIS CD2 C 6.237 4.884 -11.862 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 362 . 1 1 7 HIS CE1 C 7.194 5.651 -13.706 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 2 . 363 . 1 1 7 HIS CG C 6.977 5.987 -11.534 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 2 . 364 . 1 1 7 HIS H H 5.212 7.562 -11.641 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 2 . 365 . 1 1 7 HIS HA H 6.160 8.347 -9.182 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 2 . 366 . 1 1 7 HIS HB2 H 8.014 6.596 -9.787 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 367 . 1 1 7 HIS HB3 H 6.374 6.123 -9.471 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 368 . 1 1 7 HIS HD1 H 8.169 7.270 -12.784 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 369 . 1 1 7 HIS HD2 H 5.601 4.308 -11.199 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 370 . 1 1 7 HIS HE1 H 7.447 5.797 -14.749 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 371 . 1 1 7 HIS HE2 H 5.933 3.963 -13.775 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 2 . 372 . 1 1 7 HIS N N 5.503 8.356 -11.099 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 2 . 373 . 1 1 7 HIS ND1 N 7.582 6.448 -12.694 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 2 . 374 . 1 1 7 HIS NE2 N 6.391 4.682 -13.222 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 2 . 375 . 1 1 7 HIS O O 8.020 9.455 -11.578 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 2 . 376 . 1 1 8 PRO C C 10.857 9.788 -10.257 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 2 . 377 . 1 1 8 PRO CA C 9.683 10.301 -9.420 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 2 . 378 . 1 1 8 PRO CB C 10.076 10.519 -7.955 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 2 . 379 . 1 1 8 PRO CD C 8.439 8.802 -8.038 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 2 . 380 . 1 1 8 PRO CG C 9.677 9.224 -7.260 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 2 . 381 . 1 1 8 PRO HA H 9.344 11.248 -9.843 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 2 . 382 . 1 1 8 PRO HB2 H 11.139 10.681 -7.840 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 383 . 1 1 8 PRO HB3 H 9.505 11.353 -7.543 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 384 . 1 1 8 PRO HD2 H 8.374 7.716 -8.061 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 385 . 1 1 8 PRO HD3 H 7.550 9.219 -7.577 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 2 . 386 . 1 1 8 PRO HG2 H 10.464 8.479 -7.389 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 2 . 387 . 1 1 8 PRO HG3 H 9.460 9.378 -6.202 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 2 . 388 . 1 1 8 PRO N N 8.579 9.355 -9.379 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 2 . 389 . 1 1 8 PRO O O 11.036 8.586 -10.462 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 2 . 390 . 1 1 9 LYS C C 14.092 10.370 -10.528 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 2 . 391 . 1 1 9 LYS CA C 12.889 10.506 -11.486 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 2 . 392 . 1 1 9 LYS CB C 13.066 11.686 -12.458 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 2 . 393 . 1 1 9 LYS CD C 10.864 11.329 -13.760 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 2 . 394 . 1 1 9 LYS CE C 10.200 11.394 -15.145 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 2 . 395 . 1 1 9 LYS CG C 12.393 11.490 -13.829 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 2 . 396 . 1 1 9 LYS H H 11.494 11.699 -10.472 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 2 . 397 . 1 1 9 LYS HA H 12.790 9.579 -12.051 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 2 . 398 . 1 1 9 LYS HB2 H 12.682 12.593 -11.994 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 399 . 1 1 9 LYS HB3 H 14.126 11.850 -12.627 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 400 . 1 1 9 LYS HD2 H 10.608 10.383 -13.280 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 401 . 1 1 9 LYS HD3 H 10.454 12.138 -13.153 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 2 . 402 . 1 1 9 LYS HE2 H 9.117 11.386 -15.008 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 2 . 403 . 1 1 9 LYS HE3 H 10.470 12.338 -15.623 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 2 . 404 . 1 1 9 LYS HG2 H 12.623 12.364 -14.441 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 2 . 405 . 1 1 9 LYS HG3 H 12.829 10.614 -14.310 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 2 . 406 . 1 1 9 LYS HZ1 H 10.334 9.378 -15.616 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 2 . 407 . 1 1 9 LYS HZ2 H 11.571 10.270 -16.226 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 2 . 408 . 1 1 9 LYS HZ3 H 10.095 10.337 -16.916 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 2 . 409 . 1 1 9 LYS N N 11.668 10.737 -10.726 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 2 . 410 . 1 1 9 LYS NZ N 10.580 10.265 -16.032 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 2 . 411 . 1 1 9 LYS O O 14.003 10.803 -9.374 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 2 . 412 . 1 1 10 HYP C C 17.203 10.828 -9.976 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 2 . 413 . 1 1 10 HYP CA C 16.390 9.537 -10.153 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 2 . 414 . 1 1 10 HYP CB C 17.129 8.390 -10.856 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 2 . 415 . 1 1 10 HYP CD C 15.408 9.235 -12.318 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 2 . 416 . 1 1 10 HYP CG C 16.796 8.592 -12.336 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 2 . 417 . 1 1 10 HYP HA H 16.079 9.193 -9.164 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 2 . 418 . 1 1 10 HYP HB2 H 18.204 8.402 -10.666 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 419 . 1 1 10 HYP HB3 H 16.713 7.445 -10.512 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 420 . 1 1 10 HYP HD1 H 17.707 7.072 -13.128 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 421 . 1 1 10 HYP HD22 H 14.635 8.490 -12.513 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 2 . 422 . 1 1 10 HYP HD23 H 15.369 10.022 -13.073 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 2 . 423 . 1 1 10 HYP HG H 17.507 9.286 -12.781 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 2 . 424 . 1 1 10 HYP N N 15.218 9.790 -10.983 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 2 . 425 . 1 1 10 HYP O O 16.876 11.656 -9.126 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 2 . 426 . 1 1 10 HYP OD1 O 16.782 7.371 -13.045 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 2 . 427 . 1 1 11 ASN C C 18.628 13.436 -11.337 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 2 . 428 . 1 1 11 ASN CA C 19.192 12.155 -10.702 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 2 . 429 . 1 1 11 ASN CB C 20.553 11.747 -11.289 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 2 . 430 . 1 1 11 ASN CG C 20.574 11.619 -12.818 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 2 . 431 . 1 1 11 ASN H H 18.437 10.340 -11.493 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 2 . 432 . 1 1 11 ASN HA H 19.352 12.368 -9.644 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 2 . 433 . 1 1 11 ASN HB2 H 21.274 12.502 -10.984 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 434 . 1 1 11 ASN HB3 H 20.864 10.802 -10.845 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 435 . 1 1 11 ASN HD21 H 22.297 12.688 -12.967 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 2 . 436 . 1 1 11 ASN HD22 H 21.624 12.108 -14.488 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 2 . 437 . 1 1 11 ASN N N 18.250 11.032 -10.780 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 2 . 438 . 1 1 11 ASN ND2 N 21.584 12.177 -13.477 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 2 . 439 . 1 1 11 ASN O O 19.309 14.155 -12.069 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 2 . 440 . 1 1 11 ASN OD1 O 19.692 11.003 -13.416 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 2 . 441 . 1 1 12 SER C C 17.304 16.200 -11.332 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 2 . 442 . 1 1 12 SER CA C 16.623 14.851 -11.623 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 2 . 443 . 1 1 12 SER CB C 15.181 14.787 -11.084 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 2 . 444 . 1 1 12 SER H H 16.897 13.138 -10.377 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 2 . 445 . 1 1 12 SER HA H 16.625 14.710 -12.695 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 2 . 446 . 1 1 12 SER HB2 H 14.821 13.760 -11.157 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 447 . 1 1 12 SER HB3 H 15.185 15.070 -10.030 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 448 . 1 1 12 SER HG H 14.180 15.298 -12.703 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 2 . 449 . 1 1 12 SER N N 17.366 13.737 -11.044 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 2 . 450 . 1 1 12 SER O O 17.257 17.119 -12.151 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 2 . 451 . 1 1 12 SER OG O 14.274 15.624 -11.785 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 2 . 452 . 1 1 13 . C C 19.877 17.938 -10.514 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 2 . 453 . 1 1 13 . CA C 18.702 17.443 -9.648 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 2 . 454 . 1 1 13 . CB C 17.701 18.561 -9.377 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 2 . 455 . 1 1 13 . CD1 C 17.131 18.474 -6.908 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 2 . 456 . 1 1 13 . CD2 C 15.448 17.768 -8.521 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 457 . 1 1 13 . CE1 C 16.246 18.176 -5.856 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 2 . 458 . 1 1 13 . CE2 C 14.566 17.467 -7.469 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 2 . 459 . 1 1 13 . CG C 16.735 18.270 -8.244 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 2 . 460 . 1 1 13 . CZ C 14.963 17.672 -6.136 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 2 . 461 . 1 1 13 . H H 17.967 15.458 -9.613 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 2 . 462 . 1 1 13 . HA H 19.133 17.144 -8.692 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 2 . 463 . 1 1 13 . HB2 H 17.144 18.783 -10.283 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 464 . 1 1 13 . HB3 H 18.289 19.436 -9.146 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 465 . 1 1 13 . HD1 H 18.118 18.855 -6.686 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 466 . 1 1 13 . HD2 H 15.136 17.605 -9.544 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 2 . 467 . 1 1 13 . HE1 H 16.555 18.331 -4.831 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 468 . 1 1 13 . HE2 H 13.581 17.075 -7.686 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 2 . 469 . 1 1 13 . HZ H 14.284 17.441 -5.326 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 2 . 470 . 1 1 13 . N N 17.999 16.278 -10.190 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 2 . 471 . 1 1 13 . O O 20.481 18.975 -10.226 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 2 . 472 . 1 1 14 TRP C C 20.933 17.943 -13.815 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 2 . 473 . 1 1 14 TRP CA C 21.351 17.407 -12.438 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 2 . 474 . 1 1 14 TRP CB C 22.090 16.070 -12.564 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 2 . 475 . 1 1 14 TRP CD1 C 22.103 15.026 -10.235 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 2 . 476 . 1 1 14 TRP CD2 C 24.148 15.578 -10.951 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 2 . 477 . 1 1 14 TRP CE2 C 24.309 15.003 -9.655 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 2 . 478 . 1 1 14 TRP CE3 C 25.311 16.030 -11.604 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 2 . 479 . 1 1 14 TRP CG C 22.733 15.567 -11.303 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 2 . 480 . 1 1 14 TRP CH2 C 26.710 15.323 -9.730 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 2 . 481 . 1 1 14 TRP CZ2 C 25.567 14.871 -9.047 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 2 . 482 . 1 1 14 TRP CZ3 C 26.580 15.904 -11.006 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 2 . 483 . 1 1 14 TRP H H 19.687 16.353 -11.709 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 2 . 484 . 1 1 14 TRP HA H 22.016 18.143 -11.995 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 2 . 485 . 1 1 14 TRP HB2 H 21.401 15.311 -12.944 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 2 . 486 . 1 1 14 TRP HB3 H 22.873 16.203 -13.307 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 2 . 487 . 1 1 14 TRP HD1 H 21.034 14.886 -10.150 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 2 . 488 . 1 1 14 TRP HE1 H 22.765 14.262 -8.381 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 2 . 489 . 1 1 14 TRP HE3 H 25.209 16.483 -12.580 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 2 . 490 . 1 1 14 TRP HH2 H 27.687 15.228 -9.274 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 2 . 491 . 1 1 14 TRP HZ2 H 25.657 14.429 -8.064 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 2 . 492 . 1 1 14 TRP HZ3 H 27.459 16.257 -11.529 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 2 . 493 . 1 1 14 TRP N N 20.221 17.187 -11.554 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 2 . 494 . 1 1 14 TRP NE1 N 23.025 14.683 -9.267 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 2 . 495 . 1 1 14 TRP O O 21.804 18.233 -14.641 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 2 . 496 . 1 1 15 THR C C 18.044 19.664 -15.088 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 2 . 497 . 1 1 15 THR CA C 19.071 18.545 -15.341 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 2 . 498 . 1 1 15 THR CB C 18.514 17.347 -16.149 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 2 . 499 . 1 1 15 THR CG2 C 19.655 16.567 -16.822 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 2 . 500 . 1 1 15 THR H H 18.971 17.852 -13.342 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 2 . 501 . 1 1 15 THR HA H 19.866 19.001 -15.933 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 2 . 502 . 1 1 15 THR HB H 17.862 17.726 -16.937 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 2 . 503 . 1 1 15 THR HG1 H 17.281 15.839 -15.926 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 2 . 504 . 1 1 15 THR HG21 H 19.243 15.775 -17.449 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 2 . 505 . 1 1 15 THR HG22 H 20.313 16.124 -16.074 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 2 . 506 . 1 1 15 THR HG23 H 20.236 17.237 -17.456 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 2 . 507 . 1 1 15 THR N N 19.632 18.072 -14.075 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 2 . 508 . 1 1 15 THR O O 17.896 20.120 -13.928 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 2 . 509 . 1 1 15 THR OXT O 17.433 20.156 -16.065 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 2 . 510 . 1 1 15 THR OG1 O 17.782 16.435 -15.339 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 3 . 511 . 1 1 1 ASP C C 0.874 -0.288 -2.765 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 3 . 512 . 1 1 1 ASP CA C 1.417 -0.721 -1.408 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 3 . 513 . 1 1 1 ASP CB C 2.654 0.110 -1.032 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 3 . 514 . 1 1 1 ASP CG C 3.041 -0.116 0.433 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 3 . 515 . 1 1 1 ASP H1 H 2.335 -2.386 -2.173 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 3 . 516 . 1 1 1 ASP H2 H 0.855 -2.694 -1.551 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 3 . 517 . 1 1 1 ASP H3 H 2.134 -2.440 -0.538 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 3 . 518 . 1 1 1 ASP HA H 0.652 -0.530 -0.654 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 3 . 519 . 1 1 1 ASP HB2 H 3.493 -0.157 -1.680 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 520 . 1 1 1 ASP HB3 H 2.435 1.170 -1.186 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 521 . 1 1 1 ASP N N 1.706 -2.173 -1.414 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 3 . 522 . 1 1 1 ASP O O 1.150 -0.926 -3.785 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 3 . 523 . 1 1 1 ASP OD1 O 3.247 -1.291 0.821 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 3 . 524 . 1 1 1 ASP OD2 O 3.131 0.870 1.203 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 3 . 525 . 1 1 2 TRP C C 0.748 2.084 -4.751 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 3 . 526 . 1 1 2 TRP CA C -0.411 1.385 -4.033 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 3 . 527 . 1 1 2 TRP CB C -1.593 2.314 -3.720 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 3 . 528 . 1 1 2 TRP CD1 C -3.489 2.046 -5.385 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 3 . 529 . 1 1 2 TRP CD2 C -2.256 3.873 -5.780 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 530 . 1 1 2 TRP CE2 C -3.291 3.856 -6.762 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 3 . 531 . 1 1 2 TRP CE3 C -1.339 4.942 -5.830 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 3 . 532 . 1 1 2 TRP CG C -2.414 2.713 -4.908 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 3 . 533 . 1 1 2 TRP CH2 C -2.497 5.919 -7.746 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 3 . 534 . 1 1 2 TRP CZ2 C -3.416 4.861 -7.734 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 3 . 535 . 1 1 2 TRP CZ3 C -1.460 5.961 -6.796 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 3 . 536 . 1 1 2 TRP H H -0.058 1.323 -1.947 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 3 . 537 . 1 1 2 TRP HA H -0.791 0.591 -4.672 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 3 . 538 . 1 1 2 TRP HB2 H -2.257 1.808 -3.017 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 539 . 1 1 2 TRP HB3 H -1.225 3.215 -3.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 540 . 1 1 2 TRP HD1 H -3.892 1.131 -4.967 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 541 . 1 1 2 TRP HE1 H -4.825 2.386 -6.984 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 542 . 1 1 2 TRP HE3 H -0.532 4.960 -5.112 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 3 . 543 . 1 1 2 TRP HH2 H -2.595 6.696 -8.491 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 3 . 544 . 1 1 2 TRP HZ2 H -4.208 4.833 -8.467 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 3 . 545 . 1 1 2 TRP HZ3 H -0.754 6.778 -6.810 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 3 . 546 . 1 1 2 TRP N N 0.105 0.806 -2.798 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 3 . 547 . 1 1 2 TRP NE1 N -4.008 2.712 -6.477 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 3 . 548 . 1 1 2 TRP O O 1.261 3.098 -4.268 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 3 . 549 . 1 1 3 GLU C C 1.742 3.220 -7.501 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 3 . 550 . 1 1 3 GLU CA C 2.275 2.035 -6.686 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 3 . 551 . 1 1 3 GLU CB C 2.866 0.921 -7.571 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 3 . 552 . 1 1 3 GLU CD C 5.035 2.104 -8.276 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 3 . 553 . 1 1 3 GLU CG C 4.402 0.893 -7.576 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 3 . 554 . 1 1 3 GLU H H 0.722 0.674 -6.194 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 3 . 555 . 1 1 3 GLU HA H 3.057 2.385 -6.014 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 3 . 556 . 1 1 3 GLU HB2 H 2.534 -0.046 -7.193 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 557 . 1 1 3 GLU HB3 H 2.497 1.024 -8.591 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 558 . 1 1 3 GLU HG2 H 4.761 0.833 -6.546 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 3 . 559 . 1 1 3 GLU HG3 H 4.724 -0.019 -8.083 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 3 . 560 . 1 1 3 GLU N N 1.186 1.508 -5.871 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 3 . 561 . 1 1 3 GLU O O 0.580 3.221 -7.921 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 3 . 562 . 1 1 3 GLU OE1 O 5.267 3.140 -7.608 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 3 . 563 . 1 1 3 GLU OE2 O 5.331 2.013 -9.491 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 3 . 564 . 1 1 4 TYR C C 2.095 5.290 -9.900 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 3 . 565 . 1 1 4 TYR CA C 2.191 5.472 -8.381 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 3 . 566 . 1 1 4 TYR CB C 3.154 6.607 -8.011 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 3 . 567 . 1 1 4 TYR CD1 C 1.718 7.979 -6.439 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 3 . 568 . 1 1 4 TYR CD2 C 2.598 9.049 -8.441 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 569 . 1 1 4 TYR CE1 C 1.069 9.173 -6.078 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 3 . 570 . 1 1 4 TYR CE2 C 1.955 10.249 -8.088 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 3 . 571 . 1 1 4 TYR CG C 2.474 7.908 -7.625 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 3 . 572 . 1 1 4 TYR CZ C 1.183 10.316 -6.905 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 3 . 573 . 1 1 4 TYR H H 3.557 4.133 -7.458 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 3 . 574 . 1 1 4 TYR HA H 1.209 5.761 -8.021 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 3 . 575 . 1 1 4 TYR HB2 H 3.783 6.302 -7.178 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 576 . 1 1 4 TYR HB3 H 3.786 6.784 -8.874 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 577 . 1 1 4 TYR HD1 H 1.630 7.109 -5.802 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 578 . 1 1 4 TYR HD2 H 3.202 9.017 -9.334 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 579 . 1 1 4 TYR HE1 H 0.487 9.212 -5.167 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 580 . 1 1 4 TYR HE2 H 2.057 11.122 -8.719 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 3 . 581 . 1 1 4 TYR HH H 0.059 11.429 -5.740 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 3 . 582 . 1 1 4 TYR N N 2.578 4.236 -7.713 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 3 . 583 . 1 1 4 TYR O O 2.483 4.257 -10.457 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 3 . 584 . 1 1 4 TYR OH O 0.561 11.483 -6.568 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 3 . 585 . 1 1 5 HIS C C 2.754 7.207 -12.505 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 3 . 586 . 1 1 5 HIS CA C 1.524 6.434 -12.010 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 3 . 587 . 1 1 5 HIS CB C 0.194 7.107 -12.422 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 3 . 588 . 1 1 5 HIS CD2 C -1.333 5.254 -13.322 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 589 . 1 1 5 HIS CE1 C -1.304 5.735 -15.484 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 3 . 590 . 1 1 5 HIS CG C -0.535 6.352 -13.507 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 3 . 591 . 1 1 5 HIS H H 1.457 7.179 -10.015 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 3 . 592 . 1 1 5 HIS HA H 1.542 5.431 -12.435 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 3 . 593 . 1 1 5 HIS HB2 H -0.460 7.187 -11.555 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 594 . 1 1 5 HIS HB3 H 0.361 8.125 -12.778 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 595 . 1 1 5 HIS HD1 H -0.038 7.407 -15.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 596 . 1 1 5 HIS HD2 H -1.558 4.768 -12.380 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 597 . 1 1 5 HIS HE1 H -1.501 5.702 -16.549 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 598 . 1 1 5 HIS HE2 H -2.425 4.101 -14.764 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 3 . 599 . 1 1 5 HIS N N 1.619 6.345 -10.559 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 3 . 600 . 1 1 5 HIS ND1 N -0.527 6.642 -14.862 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 3 . 601 . 1 1 5 HIS NE2 N -1.804 4.881 -14.568 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 3 . 602 . 1 1 5 HIS O O 3.648 6.648 -13.144 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 3 . 603 . 1 1 6 ALA C C 4.959 9.488 -11.466 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 3 . 604 . 1 1 6 ALA CA C 3.891 9.414 -12.557 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 3 . 605 . 1 1 6 ALA CB C 3.289 10.788 -12.876 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 3 . 606 . 1 1 6 ALA H H 2.072 8.868 -11.592 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 3 . 607 . 1 1 6 ALA HA H 4.375 9.020 -13.457 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 3 . 608 . 1 1 6 ALA HB1 H 4.085 11.459 -13.203 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 3 . 609 . 1 1 6 ALA HB2 H 2.549 10.696 -13.671 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 610 . 1 1 6 ALA HB3 H 2.823 11.204 -11.982 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 611 . 1 1 6 ALA N N 2.827 8.496 -12.154 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 3 . 612 . 1 1 6 ALA O O 5.229 10.549 -10.898 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 3 . 613 . 1 1 7 HIS C C 7.826 9.049 -10.587 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 3 . 614 . 1 1 7 HIS CA C 6.609 8.177 -10.201 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 3 . 615 . 1 1 7 HIS CB C 6.987 6.694 -10.051 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 3 . 616 . 1 1 7 HIS CD2 C 5.946 4.793 -11.415 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 617 . 1 1 7 HIS CE1 C 6.856 5.181 -13.395 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 3 . 618 . 1 1 7 HIS CG C 6.816 5.841 -11.288 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 3 . 619 . 1 1 7 HIS H H 5.220 7.496 -11.614 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 3 . 620 . 1 1 7 HIS HA H 6.213 8.508 -9.249 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 3 . 621 . 1 1 7 HIS HB2 H 8.023 6.634 -9.729 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 622 . 1 1 7 HIS HB3 H 6.389 6.288 -9.237 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 623 . 1 1 7 HIS HD1 H 8.067 6.781 -12.761 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 624 . 1 1 7 HIS HD2 H 5.307 4.381 -10.643 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 625 . 1 1 7 HIS HE1 H 7.059 5.148 -14.458 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 626 . 1 1 7 HIS HE2 H 5.432 3.646 -13.150 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 3 . 627 . 1 1 7 HIS N N 5.520 8.328 -11.140 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 3 . 628 . 1 1 7 HIS ND1 N 7.390 6.064 -12.529 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 3 . 629 . 1 1 7 HIS NE2 N 5.991 4.386 -12.735 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 3 . 630 . 1 1 7 HIS O O 8.028 9.342 -11.776 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 3 . 631 . 1 1 8 PRO C C 10.899 9.881 -10.564 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 3 . 632 . 1 1 8 PRO CA C 9.721 10.412 -9.744 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 3 . 633 . 1 1 8 PRO CB C 10.133 10.770 -8.312 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 3 . 634 . 1 1 8 PRO CD C 8.549 9.011 -8.206 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 3 . 635 . 1 1 8 PRO CG C 9.794 9.527 -7.500 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 3 . 636 . 1 1 8 PRO HA H 9.346 11.311 -10.238 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 3 . 637 . 1 1 8 PRO HB2 H 11.193 10.979 -8.232 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 638 . 1 1 8 PRO HB3 H 9.538 11.614 -7.957 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 639 . 1 1 8 PRO HD2 H 8.513 7.928 -8.128 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 640 . 1 1 8 PRO HD3 H 7.660 9.449 -7.762 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 3 . 641 . 1 1 8 PRO HG2 H 10.599 8.796 -7.591 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 3 . 642 . 1 1 8 PRO HG3 H 9.600 9.763 -6.453 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 3 . 643 . 1 1 8 PRO N N 8.649 9.438 -9.595 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 3 . 644 . 1 1 8 PRO O O 11.101 8.677 -10.723 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 3 . 645 . 1 1 9 LYS C C 14.085 10.379 -10.738 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 3 . 646 . 1 1 9 LYS CA C 12.952 10.605 -11.762 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 3 . 647 . 1 1 9 LYS CB C 13.223 11.842 -12.637 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 3 . 648 . 1 1 9 LYS CD C 11.118 11.695 -14.170 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 3 . 649 . 1 1 9 LYS CE C 10.641 10.234 -14.215 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 3 . 650 . 1 1 9 LYS CG C 12.650 11.800 -14.065 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 3 . 651 . 1 1 9 LYS H H 11.480 11.793 -10.854 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 3 . 652 . 1 1 9 LYS HA H 12.874 9.717 -12.389 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 3 . 653 . 1 1 9 LYS HB2 H 12.832 12.720 -12.125 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 654 . 1 1 9 LYS HB3 H 14.298 11.988 -12.723 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 655 . 1 1 9 LYS HD2 H 10.651 12.227 -13.340 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 656 . 1 1 9 LYS HD3 H 10.812 12.181 -15.099 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 3 . 657 . 1 1 9 LYS HE2 H 11.103 9.747 -15.076 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 3 . 658 . 1 1 9 LYS HE3 H 10.965 9.714 -13.312 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 3 . 659 . 1 1 9 LYS HG2 H 12.949 12.728 -14.554 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 3 . 660 . 1 1 9 LYS HG3 H 13.112 10.981 -14.618 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 3 . 661 . 1 1 9 LYS HZ1 H 8.717 10.383 -13.459 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 3 . 662 . 1 1 9 LYS HZ2 H 8.901 9.175 -14.534 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 3 . 663 . 1 1 9 LYS HZ3 H 8.814 10.715 -15.074 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 3 . 664 . 1 1 9 LYS N N 11.687 10.828 -11.073 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 3 . 665 . 1 1 9 LYS NZ N 9.167 10.128 -14.331 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 3 . 666 . 1 1 9 LYS O O 13.927 10.738 -9.566 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 3 . 667 . 1 1 10 HYP C C 17.162 10.785 -9.997 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 3 . 668 . 1 1 10 HYP CA C 16.354 9.507 -10.277 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 3 . 669 . 1 1 10 HYP CB C 17.124 8.387 -10.992 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 3 . 670 . 1 1 10 HYP CD C 15.497 9.331 -12.509 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 3 . 671 . 1 1 10 HYP CG C 16.878 8.674 -12.474 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 3 . 672 . 1 1 10 HYP HA H 15.989 9.121 -9.324 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 3 . 673 . 1 1 10 HYP HB2 H 18.186 8.378 -10.742 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 674 . 1 1 10 HYP HB3 H 16.681 7.431 -10.719 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 675 . 1 1 10 HYP HD1 H 16.257 6.885 -12.922 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 676 . 1 1 10 HYP HD22 H 14.728 8.612 -12.796 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 3 . 677 . 1 1 10 HYP HD23 H 15.515 10.162 -13.216 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 3 . 678 . 1 1 10 HYP HG H 17.619 9.390 -12.827 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 3 . 679 . 1 1 10 HYP N N 15.231 9.809 -11.157 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 3 . 680 . 1 1 10 HYP O O 16.769 11.594 -9.156 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 3 . 681 . 1 1 10 HYP OD1 O 16.932 7.501 -13.261 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 3 . 682 . 1 1 11 ASN C C 18.693 13.394 -11.215 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 3 . 683 . 1 1 11 ASN CA C 19.205 12.120 -10.524 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 3 . 684 . 1 1 11 ASN CB C 20.622 11.713 -10.965 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 3 . 685 . 1 1 11 ASN CG C 20.804 11.582 -12.482 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 3 . 686 . 1 1 11 ASN H H 18.515 10.333 -11.421 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 3 . 687 . 1 1 11 ASN HA H 19.255 12.336 -9.455 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 3 . 688 . 1 1 11 ASN HB2 H 21.310 12.464 -10.584 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 689 . 1 1 11 ASN HB3 H 20.885 10.767 -10.491 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 690 . 1 1 11 ASN HD21 H 22.429 12.803 -12.478 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 3 . 691 . 1 1 11 ASN HD22 H 21.968 12.151 -14.048 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 3 . 692 . 1 1 11 ASN N N 18.276 10.999 -10.701 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 3 . 693 . 1 1 11 ASN ND2 N 21.823 12.221 -13.047 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 3 . 694 . 1 1 11 ASN O O 19.410 14.081 -11.942 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 3 . 695 . 1 1 11 ASN OD1 O 20.036 10.894 -13.154 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 3 . 696 . 1 1 12 SER C C 17.401 16.154 -11.420 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 3 . 697 . 1 1 12 SER CA C 16.702 14.801 -11.632 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 3 . 698 . 1 1 12 SER CB C 15.260 14.789 -11.097 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 3 . 699 . 1 1 12 SER H H 16.920 13.132 -10.319 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 3 . 700 . 1 1 12 SER HA H 16.698 14.599 -12.695 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 3 . 701 . 1 1 12 SER HB2 H 14.895 13.761 -11.087 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 702 . 1 1 12 SER HB3 H 15.258 15.159 -10.071 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 703 . 1 1 12 SER HG H 13.485 15.533 -11.490 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 3 . 704 . 1 1 12 SER N N 17.423 13.713 -10.980 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 3 . 705 . 1 1 12 SER O O 17.417 17.003 -12.313 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 3 . 706 . 1 1 12 SER OG O 14.376 15.560 -11.892 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 3 . 707 . 1 1 13 . C C 19.939 17.951 -10.596 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 3 . 708 . 1 1 13 . CA C 18.729 17.502 -9.756 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 3 . 709 . 1 1 13 . CB C 17.716 18.631 -9.607 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 3 . 710 . 1 1 13 . CD1 C 17.006 18.586 -7.173 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 3 . 711 . 1 1 13 . CD2 C 15.386 17.943 -8.874 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 712 . 1 1 13 . CE1 C 16.054 18.329 -6.170 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 3 . 713 . 1 1 13 . CE2 C 14.436 17.683 -7.871 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 3 . 714 . 1 1 13 . CG C 16.676 18.393 -8.528 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 3 . 715 . 1 1 13 . CZ C 14.769 17.876 -6.518 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 3 . 716 . 1 1 13 . H H 17.975 15.526 -9.628 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 3 . 717 . 1 1 13 . HA H 19.115 17.264 -8.764 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 3 . 718 . 1 1 13 . HB2 H 17.223 18.804 -10.559 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 719 . 1 1 13 . HB3 H 18.288 19.518 -9.381 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 720 . 1 1 13 . HD1 H 17.995 18.927 -6.898 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 721 . 1 1 13 . HD2 H 15.125 17.787 -9.912 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 3 . 722 . 1 1 13 . HE1 H 16.314 18.474 -5.130 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 723 . 1 1 13 . HE2 H 13.450 17.330 -8.140 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 3 . 724 . 1 1 13 . HZ H 14.038 17.676 -5.746 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 3 . 725 . 1 1 13 . N N 18.047 16.305 -10.257 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 3 . 726 . 1 1 13 . O O 20.522 19.011 -10.356 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 3 . 727 . 1 1 14 TRP C C 20.981 17.958 -13.823 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 3 . 728 . 1 1 14 TRP CA C 21.437 17.356 -12.484 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 3 . 729 . 1 1 14 TRP CB C 22.132 16.004 -12.678 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 3 . 730 . 1 1 14 TRP CD1 C 22.235 15.002 -10.329 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 3 . 731 . 1 1 14 TRP CD2 C 24.255 15.323 -11.229 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 3 . 732 . 1 1 14 TRP CE2 C 24.469 14.761 -9.935 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 3 . 733 . 1 1 14 TRP CE3 C 25.397 15.638 -11.991 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 3 . 734 . 1 1 14 TRP CG C 22.822 15.455 -11.461 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 3 . 735 . 1 1 14 TRP CH2 C 26.874 14.833 -10.221 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 3 . 736 . 1 1 14 TRP CZ2 C 25.755 14.514 -9.431 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 3 . 737 . 1 1 14 TRP CZ3 C 26.693 15.396 -11.498 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 3 . 738 . 1 1 14 TRP H H 19.803 16.293 -11.694 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 3 . 739 . 1 1 14 TRP HA H 22.142 18.054 -12.033 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 3 . 740 . 1 1 14 TRP HB2 H 21.404 15.272 -13.039 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 3 . 741 . 1 1 14 TRP HB3 H 22.883 16.131 -13.455 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 3 . 742 . 1 1 14 TRP HD1 H 21.168 14.977 -10.149 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 3 . 743 . 1 1 14 TRP HE1 H 22.973 14.213 -8.515 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 3 . 744 . 1 1 14 TRP HE3 H 25.253 16.078 -12.967 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 3 . 745 . 1 1 14 TRP HH2 H 27.872 14.649 -9.845 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 3 . 746 . 1 1 14 TRP HZ2 H 25.885 14.087 -8.446 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 3 . 747 . 1 1 14 TRP HZ3 H 27.555 15.647 -12.103 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 3 . 748 . 1 1 14 TRP N N 20.327 17.140 -11.573 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 3 . 749 . 1 1 14 TRP NE1 N 23.197 14.584 -9.432 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 3 . 750 . 1 1 14 TRP O O 21.815 18.190 -14.703 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 3 . 751 . 1 1 15 THR C C 17.801 19.481 -14.827 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 3 . 752 . 1 1 15 THR CA C 19.075 18.705 -15.226 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 3 . 753 . 1 1 15 THR CB C 18.956 17.522 -16.225 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 3 . 754 . 1 1 15 THR CG2 C 17.997 16.399 -15.793 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 3 . 755 . 1 1 15 THR H H 19.045 18.017 -13.229 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 3 . 756 . 1 1 15 THR HA H 19.764 19.429 -15.663 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 3 . 757 . 1 1 15 THR HB H 19.945 17.066 -16.289 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 3 . 758 . 1 1 15 THR HG1 H 18.838 17.232 -18.161 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 3 . 759 . 1 1 15 THR HG21 H 16.979 16.774 -15.691 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 3 . 760 . 1 1 15 THR HG22 H 18.319 15.983 -14.838 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 3 . 761 . 1 1 15 THR HG23 H 18.009 15.598 -16.532 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 3 . 762 . 1 1 15 THR N N 19.680 18.204 -13.996 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 3 . 763 . 1 1 15 THR O O 17.883 20.260 -13.845 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 3 . 764 . 1 1 15 THR OXT O 16.741 19.386 -15.486 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 3 . 765 . 1 1 15 THR OG1 O 18.657 17.964 -17.541 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 4 . 766 . 1 1 1 ASP C C 0.014 -0.686 -3.063 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 4 . 767 . 1 1 1 ASP CA C 0.563 -1.541 -1.929 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 4 . 768 . 1 1 1 ASP CB C 2.098 -1.588 -1.992 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 4 . 769 . 1 1 1 ASP CG C 2.684 -2.223 -0.726 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 4 . 770 . 1 1 1 ASP H1 H -1.032 -2.837 -1.833 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 4 . 771 . 1 1 1 ASP H2 H 0.386 -3.485 -1.291 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 4 . 772 . 1 1 1 ASP H3 H 0.120 -3.287 -2.904 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 4 . 773 . 1 1 1 ASP HA H 0.287 -1.085 -0.977 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 4 . 774 . 1 1 1 ASP HB2 H 2.418 -2.157 -2.868 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 775 . 1 1 1 ASP HB3 H 2.480 -0.569 -2.095 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 776 . 1 1 1 ASP N N -0.038 -2.892 -1.990 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 4 . 777 . 1 1 1 ASP O O -0.105 -1.162 -4.196 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 4 . 778 . 1 1 1 ASP OD1 O 2.261 -3.350 -0.374 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 4 . 779 . 1 1 1 ASP OD2 O 3.559 -1.602 -0.077 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 4 . 780 . 1 1 2 TRP C C 0.362 2.091 -4.541 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 4 . 781 . 1 1 2 TRP CA C -0.838 1.501 -3.790 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 4 . 782 . 1 1 2 TRP CB C -1.736 2.563 -3.130 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 4 . 783 . 1 1 2 TRP CD1 C -3.981 2.780 -4.271 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 4 . 784 . 1 1 2 TRP CD2 C -2.563 4.401 -4.902 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 785 . 1 1 2 TRP CE2 C -3.790 4.620 -5.602 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 4 . 786 . 1 1 2 TRP CE3 C -1.516 5.316 -5.151 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 4 . 787 . 1 1 2 TRP CG C -2.719 3.216 -4.056 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 4 . 788 . 1 1 2 TRP CH2 C -2.905 6.575 -6.719 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 4 . 789 . 1 1 2 TRP CZ2 C -3.965 5.688 -6.497 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 4 . 790 . 1 1 2 TRP CZ3 C -1.684 6.390 -6.048 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 4 . 791 . 1 1 2 TRP H H -0.174 0.943 -1.851 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 4 . 792 . 1 1 2 TRP HA H -1.459 0.941 -4.491 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 4 . 793 . 1 1 2 TRP HB2 H -2.311 2.086 -2.335 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 794 . 1 1 2 TRP HB3 H -1.123 3.333 -2.659 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 795 . 1 1 2 TRP HD1 H -4.430 1.914 -3.800 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 796 . 1 1 2 TRP HE1 H -5.575 3.456 -5.475 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 797 . 1 1 2 TRP HE3 H -0.570 5.190 -4.644 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 4 . 798 . 1 1 2 TRP HH2 H -3.038 7.398 -7.407 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 4 . 799 . 1 1 2 TRP HZ2 H -4.902 5.835 -7.013 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 4 . 800 . 1 1 2 TRP HZ3 H -0.870 7.079 -6.222 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 4 . 801 . 1 1 2 TRP N N -0.327 0.577 -2.782 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 4 . 802 . 1 1 2 TRP NE1 N -4.616 3.602 -5.177 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 4 . 803 . 1 1 2 TRP O O 1.014 3.020 -4.054 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 4 . 804 . 1 1 3 GLU C C 1.422 3.198 -7.291 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 4 . 805 . 1 1 3 GLU CA C 1.814 1.929 -6.523 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 4 . 806 . 1 1 3 GLU CB C 2.232 0.775 -7.441 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 4 . 807 . 1 1 3 GLU CD C 3.995 -0.196 -8.983 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 4 . 808 . 1 1 3 GLU CG C 3.553 1.035 -8.175 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 4 . 809 . 1 1 3 GLU H H 0.127 0.740 -6.029 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 4 . 810 . 1 1 3 GLU HA H 2.660 2.143 -5.877 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 4 . 811 . 1 1 3 GLU HB2 H 2.348 -0.127 -6.837 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 812 . 1 1 3 GLU HB3 H 1.440 0.608 -8.163 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 813 . 1 1 3 GLU HG2 H 3.436 1.885 -8.848 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 4 . 814 . 1 1 3 GLU HG3 H 4.324 1.288 -7.445 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 4 . 815 . 1 1 3 GLU N N 0.691 1.509 -5.695 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 4 . 816 . 1 1 3 GLU O O 0.286 3.321 -7.761 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 4 . 817 . 1 1 3 GLU OE1 O 3.528 -0.376 -10.133 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 4 . 818 . 1 1 3 GLU OE2 O 4.825 -0.991 -8.478 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 4 . 819 . 1 1 4 TYR C C 2.164 5.168 -9.667 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 4 . 820 . 1 1 4 TYR CA C 2.138 5.395 -8.148 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 4 . 821 . 1 1 4 TYR CB C 3.159 6.460 -7.722 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 4 . 822 . 1 1 4 TYR CD1 C 1.721 8.079 -6.407 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 4 . 823 . 1 1 4 TYR CD2 C 2.872 8.893 -8.391 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 824 . 1 1 4 TYR CE1 C 1.151 9.350 -6.209 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 4 . 825 . 1 1 4 TYR CE2 C 2.309 10.168 -8.202 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 4 . 826 . 1 1 4 TYR CG C 2.571 7.842 -7.503 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 4 . 827 . 1 1 4 TYR CZ C 1.440 10.402 -7.110 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 4 . 828 . 1 1 4 TYR H H 3.277 3.989 -7.035 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 4 . 829 . 1 1 4 TYR HA H 1.156 5.781 -7.890 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 4 . 830 . 1 1 4 TYR HB2 H 3.655 6.157 -6.801 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 831 . 1 1 4 TYR HB3 H 3.900 6.523 -8.512 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 832 . 1 1 4 TYR HD1 H 1.501 7.279 -5.712 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 833 . 1 1 4 TYR HD2 H 3.549 8.731 -9.213 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 834 . 1 1 4 TYR HE1 H 0.495 9.517 -5.365 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 835 . 1 1 4 TYR HE2 H 2.547 10.970 -8.888 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 4 . 836 . 1 1 4 TYR HH H 0.315 11.701 -6.158 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 4 . 837 . 1 1 4 TYR N N 2.355 4.148 -7.417 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 4 . 838 . 1 1 4 TYR O O 2.475 4.075 -10.150 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 4 . 839 . 1 1 4 TYR OH O 0.895 11.640 -6.933 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 4 . 840 . 1 1 5 HIS C C 3.057 7.118 -12.331 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 4 . 841 . 1 1 5 HIS CA C 1.869 6.265 -11.864 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 4 . 842 . 1 1 5 HIS CB C 0.517 6.809 -12.376 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 4 . 843 . 1 1 5 HIS CD2 C -0.781 4.784 -13.262 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 844 . 1 1 5 HIS CE1 C -0.719 5.196 -15.438 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 4 . 845 . 1 1 5 HIS CG C -0.092 5.951 -13.458 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 4 . 846 . 1 1 5 HIS H H 1.761 7.111 -9.914 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 4 . 847 . 1 1 5 HIS HA H 1.995 5.254 -12.249 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 4 . 848 . 1 1 5 HIS HB2 H -0.187 6.874 -11.548 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 849 . 1 1 5 HIS HB3 H 0.624 7.822 -12.765 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 850 . 1 1 5 HIS HD1 H 0.365 6.993 -15.282 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 851 . 1 1 5 HIS HD2 H -0.991 4.306 -12.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 852 . 1 1 5 HIS HE1 H -0.869 5.109 -16.507 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 853 . 1 1 5 HIS HE2 H -1.694 3.479 -14.700 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 4 . 854 . 1 1 5 HIS N N 1.878 6.238 -10.407 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 4 . 855 . 1 1 5 HIS ND1 N -0.062 6.198 -14.821 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 4 . 856 . 1 1 5 HIS NE2 N -1.164 4.325 -14.510 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 4 . 857 . 1 1 5 HIS O O 4.026 6.610 -12.897 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 4 . 858 . 1 1 6 ALA C C 5.108 9.499 -11.365 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 4 . 859 . 1 1 6 ALA CA C 4.018 9.408 -12.435 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 4 . 860 . 1 1 6 ALA CB C 3.338 10.758 -12.704 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 4 . 861 . 1 1 6 ALA H H 2.205 8.754 -11.523 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 4 . 862 . 1 1 6 ALA HA H 4.499 9.064 -13.357 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 4 . 863 . 1 1 6 ALA HB1 H 4.088 11.480 -13.032 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 4 . 864 . 1 1 6 ALA HB2 H 2.587 10.648 -13.487 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 865 . 1 1 6 ALA HB3 H 2.868 11.128 -11.792 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 866 . 1 1 6 ALA N N 3.011 8.423 -12.038 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 4 . 867 . 1 1 6 ALA O O 5.347 10.555 -10.776 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 4 . 868 . 1 1 7 HIS C C 7.970 9.126 -10.375 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 4 . 869 . 1 1 7 HIS CA C 6.774 8.185 -10.107 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 4 . 870 . 1 1 7 HIS CB C 7.230 6.717 -10.067 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 4 . 871 . 1 1 7 HIS CD2 C 6.545 4.863 -11.699 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 872 . 1 1 7 HIS CE1 C 7.493 5.607 -13.558 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 4 . 873 . 1 1 7 HIS CG C 7.247 5.999 -11.399 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 4 . 874 . 1 1 7 HIS H H 5.426 7.523 -11.570 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 4 . 875 . 1 1 7 HIS HA H 6.332 8.419 -9.145 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 4 . 876 . 1 1 7 HIS HB2 H 8.233 6.690 -9.653 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 877 . 1 1 7 HIS HB3 H 6.598 6.189 -9.355 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 878 . 1 1 7 HIS HD1 H 8.419 7.275 -12.672 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 879 . 1 1 7 HIS HD2 H 5.922 4.287 -11.025 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 880 . 1 1 7 HIS HE1 H 7.748 5.733 -14.603 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 881 . 1 1 7 HIS HE2 H 6.286 3.880 -13.587 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 4 . 882 . 1 1 7 HIS N N 5.713 8.350 -11.075 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 4 . 883 . 1 1 7 HIS ND1 N 7.850 6.443 -12.565 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 4 . 884 . 1 1 7 HIS NE2 N 6.716 4.628 -13.052 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 4 . 885 . 1 1 7 HIS O O 8.224 9.492 -11.534 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 4 . 886 . 1 1 8 PRO C C 11.045 9.847 -10.105 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 4 . 887 . 1 1 8 PRO CA C 9.835 10.409 -9.356 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 4 . 888 . 1 1 8 PRO CB C 10.159 10.705 -7.888 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 4 . 889 . 1 1 8 PRO CD C 8.555 8.959 -7.959 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 4 . 890 . 1 1 8 PRO CG C 9.754 9.435 -7.153 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 4 . 891 . 1 1 8 PRO HA H 9.518 11.332 -9.846 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 4 . 892 . 1 1 8 PRO HB2 H 11.213 10.896 -7.734 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 893 . 1 1 8 PRO HB3 H 9.553 11.545 -7.542 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 894 . 1 1 8 PRO HD2 H 8.513 7.872 -7.943 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 895 . 1 1 8 PRO HD3 H 7.642 9.374 -7.545 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 4 . 896 . 1 1 8 PRO HG2 H 10.557 8.699 -7.218 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 4 . 897 . 1 1 8 PRO HG3 H 9.493 9.632 -6.112 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 4 . 898 . 1 1 8 PRO N N 8.730 9.465 -9.315 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 4 . 899 . 1 1 8 PRO O O 11.198 8.636 -10.280 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 4 . 900 . 1 1 9 LYS C C 14.339 10.474 -10.355 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 4 . 901 . 1 1 9 LYS CA C 13.122 10.489 -11.304 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 4 . 902 . 1 1 9 LYS CB C 13.244 11.584 -12.379 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 4 . 903 . 1 1 9 LYS CD C 10.932 11.266 -13.475 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 4 . 904 . 1 1 9 LYS CE C 10.204 11.147 -14.819 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 4 . 905 . 1 1 9 LYS CG C 12.456 11.309 -13.673 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 4 . 906 . 1 1 9 LYS H H 11.761 11.734 -10.324 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 4 . 907 . 1 1 9 LYS HA H 13.042 9.514 -11.786 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 4 . 908 . 1 1 9 LYS HB2 H 12.927 12.536 -11.957 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 909 . 1 1 9 LYS HB3 H 14.289 11.702 -12.639 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 910 . 1 1 9 LYS HD2 H 10.670 10.402 -12.865 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 911 . 1 1 9 LYS HD3 H 10.612 12.178 -12.967 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 4 . 912 . 1 1 9 LYS HE2 H 10.487 11.987 -15.456 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 4 . 913 . 1 1 9 LYS HE3 H 10.518 10.223 -15.310 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 4 . 914 . 1 1 9 LYS HG2 H 12.691 12.102 -14.384 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 4 . 915 . 1 1 9 LYS HG3 H 12.789 10.362 -14.101 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 4 . 916 . 1 1 9 LYS HZ1 H 8.270 11.002 -15.533 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 4 . 917 . 1 1 9 LYS HZ2 H 8.410 12.012 -14.256 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 4 . 918 . 1 1 9 LYS HZ3 H 8.447 10.392 -14.021 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 4 . 919 . 1 1 9 LYS N N 11.910 10.761 -10.547 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 4 . 920 . 1 1 9 LYS NZ N 8.731 11.136 -14.643 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 4 . 921 . 1 1 9 LYS O O 14.246 11.005 -9.243 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 4 . 922 . 1 1 10 HYP C C 17.442 11.049 -9.852 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 4 . 923 . 1 1 10 HYP CA C 16.656 9.729 -9.921 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 4 . 924 . 1 1 10 HYP CB C 17.417 8.542 -10.527 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 4 . 925 . 1 1 10 HYP CD C 15.676 9.216 -12.046 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 4 . 926 . 1 1 10 HYP CG C 17.086 8.624 -12.017 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 4 . 927 . 1 1 10 HYP HA H 16.354 9.462 -8.907 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 4 . 928 . 1 1 10 HYP HB2 H 18.491 8.584 -10.337 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 929 . 1 1 10 HYP HB3 H 17.014 7.619 -10.112 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 930 . 1 1 10 HYP HD1 H 17.026 7.482 -13.584 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 931 . 1 1 10 HYP HD22 H 14.928 8.430 -12.159 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 4 . 932 . 1 1 10 HYP HD23 H 15.602 9.926 -12.871 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 4 . 933 . 1 1 10 HYP HG H 17.779 9.309 -12.505 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 4 . 934 . 1 1 10 HYP N N 15.478 9.886 -10.766 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 4 . 935 . 1 1 10 HYP O O 17.067 11.954 -9.106 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 4 . 936 . 1 1 10 HYP OD1 O 17.137 7.349 -12.624 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 4 . 937 . 1 1 11 ASN C C 18.877 13.536 -11.412 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 4 . 938 . 1 1 11 ASN CA C 19.436 12.337 -10.628 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 4 . 939 . 1 1 11 ASN CB C 20.826 11.899 -11.117 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 4 . 940 . 1 1 11 ASN CG C 20.912 11.629 -12.625 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 4 . 941 . 1 1 11 ASN H H 18.748 10.437 -11.261 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 4 . 942 . 1 1 11 ASN HA H 19.547 12.661 -9.592 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 4 . 943 . 1 1 11 ASN HB2 H 21.524 12.692 -10.856 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 944 . 1 1 11 ASN HB3 H 21.130 11.006 -10.574 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 945 . 1 1 11 ASN HD21 H 22.590 12.761 -12.816 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 4 . 946 . 1 1 11 ASN HD22 H 22.004 12.007 -14.296 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 4 . 947 . 1 1 11 ASN N N 18.518 11.191 -10.630 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 4 . 948 . 1 1 11 ASN ND2 N 21.921 12.170 -13.299 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 4 . 949 . 1 1 11 ASN O O 19.576 14.198 -12.179 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 4 . 950 . 1 1 11 ASN OD1 O 20.079 10.922 -13.191 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 4 . 951 . 1 1 12 SER C C 17.495 16.238 -11.767 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 4 . 952 . 1 1 12 SER CA C 16.855 14.851 -11.937 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 4 . 953 . 1 1 12 SER CB C 15.394 14.804 -11.458 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 4 . 954 . 1 1 12 SER H H 17.109 13.290 -10.504 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 4 . 955 . 1 1 12 SER HA H 16.900 14.595 -12.986 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 4 . 956 . 1 1 12 SER HB2 H 15.071 13.764 -11.412 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 957 . 1 1 12 SER HB3 H 15.332 15.225 -10.453 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 958 . 1 1 12 SER HG H 13.607 15.448 -11.963 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 4 . 959 . 1 1 12 SER N N 17.596 13.828 -11.210 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 4 . 960 . 1 1 12 SER O O 17.506 17.047 -12.697 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 4 . 961 . 1 1 12 SER OG O 14.514 15.499 -12.326 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 4 . 962 . 1 1 13 . C C 19.953 18.149 -10.967 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 4 . 963 . 1 1 13 . CA C 18.731 17.708 -10.138 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 4 . 964 . 1 1 13 . CB C 17.681 18.812 -10.057 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 4 . 965 . 1 1 13 . CD1 C 15.432 18.006 -9.201 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 4 . 966 . 1 1 13 . CD2 C 16.995 19.009 -7.625 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 967 . 1 1 13 . CE1 C 14.522 17.781 -8.154 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 4 . 968 . 1 1 13 . CE2 C 16.081 18.788 -6.579 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 4 . 969 . 1 1 13 . CG C 16.674 18.618 -8.939 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 4 . 970 . 1 1 13 . CZ C 14.844 18.173 -6.843 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 4 . 971 . 1 1 13 . H H 18.041 15.715 -9.931 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 4 . 972 . 1 1 13 . HA H 19.101 17.528 -9.128 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 4 . 973 . 1 1 13 . HB2 H 17.162 18.903 -11.008 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 974 . 1 1 13 . HB3 H 18.226 19.730 -9.905 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 975 . 1 1 13 . HD1 H 15.179 17.700 -10.207 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 976 . 1 1 13 . HD2 H 17.949 19.473 -7.413 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 4 . 977 . 1 1 13 . HE1 H 13.574 17.300 -8.358 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 978 . 1 1 13 . HE2 H 16.333 19.085 -5.571 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 4 . 979 . 1 1 13 . HZ H 14.143 17.998 -6.037 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 4 . 980 . 1 1 13 . N N 18.100 16.466 -10.594 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 4 . 981 . 1 1 13 . O O 20.492 19.241 -10.774 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 4 . 982 . 1 1 14 TRP C C 21.170 17.971 -14.133 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 4 . 983 . 1 1 14 TRP CA C 21.562 17.476 -12.731 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 4 . 984 . 1 1 14 TRP CB C 22.302 16.134 -12.787 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 4 . 985 . 1 1 14 TRP CD1 C 22.257 15.266 -10.383 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 4 . 986 . 1 1 14 TRP CD2 C 24.329 15.612 -11.144 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 4 . 987 . 1 1 14 TRP CE2 C 24.459 15.127 -9.809 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 4 . 988 . 1 1 14 TRP CE3 C 25.517 15.924 -11.835 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 4 . 989 . 1 1 14 TRP CG C 22.915 15.679 -11.491 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 4 . 990 . 1 1 14 TRP CH2 C 26.876 15.265 -9.915 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 4 . 991 . 1 1 14 TRP CZ2 C 25.710 14.951 -9.196 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 4 . 992 . 1 1 14 TRP CZ3 C 26.778 15.753 -11.232 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 4 . 993 . 1 1 14 TRP H H 19.912 16.422 -11.964 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 4 . 994 . 1 1 14 TRP HA H 22.223 18.222 -12.289 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 4 . 995 . 1 1 14 TRP HB2 H 21.622 15.361 -13.154 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 4 . 996 . 1 1 14 TRP HB3 H 23.105 16.235 -13.514 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 4 . 997 . 1 1 14 TRP HD1 H 21.181 15.208 -10.283 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 4 . 998 . 1 1 14 TRP HE1 H 22.877 14.601 -8.477 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 4 . 999 . 1 1 14 TRP HE3 H 25.438 16.305 -12.842 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 4 . 1000 . 1 1 14 TRP HH2 H 27.848 15.135 -9.456 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 4 . 1001 . 1 1 14 TRP HZ2 H 25.776 14.581 -8.182 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 4 . 1002 . 1 1 14 TRP HZ3 H 27.676 15.999 -11.783 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 4 . 1003 . 1 1 14 TRP N N 20.404 17.291 -11.874 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 4 . 1004 . 1 1 14 TRP NE1 N 23.159 14.932 -9.394 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 4 . 1005 . 1 1 14 TRP O O 22.044 18.131 -14.990 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 4 . 1006 . 1 1 15 THR C C 18.050 19.428 -15.422 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 4 . 1007 . 1 1 15 THR CA C 19.340 18.616 -15.681 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 4 . 1008 . 1 1 15 THR CB C 19.244 17.352 -16.577 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 4 . 1009 . 1 1 15 THR CG2 C 18.183 16.333 -16.130 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 4 . 1010 . 1 1 15 THR H H 19.204 18.086 -13.642 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 4 . 1011 . 1 1 15 THR HA H 20.059 19.297 -16.138 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 4 . 1012 . 1 1 15 THR HB H 20.204 16.836 -16.511 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 4 . 1013 . 1 1 15 THR HG1 H 19.898 18.048 -18.291 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 4 . 1014 . 1 1 15 THR HG21 H 18.192 15.474 -16.801 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 4 . 1015 . 1 1 15 THR HG22 H 17.190 16.780 -16.135 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 4 . 1016 . 1 1 15 THR HG23 H 18.410 15.981 -15.123 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 4 . 1017 . 1 1 15 THR N N 19.880 18.206 -14.388 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 4 . 1018 . 1 1 15 THR O O 17.969 20.089 -14.358 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 4 . 1019 . 1 1 15 THR OXT O 17.147 19.491 -16.287 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 4 . 1020 . 1 1 15 THR OG1 O 19.071 17.655 -17.954 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 5 . 1021 . 1 1 1 ASP C C 0.744 -0.251 -2.511 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 5 . 1022 . 1 1 1 ASP CA C 1.323 -0.750 -1.189 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 5 . 1023 . 1 1 1 ASP CB C 2.842 -0.546 -1.158 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 5 . 1024 . 1 1 1 ASP CG C 3.180 0.929 -1.403 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 5 . 1025 . 1 1 1 ASP H1 H 1.317 -2.721 -1.743 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 5 . 1026 . 1 1 1 ASP H2 H -0.045 -2.264 -0.965 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 5 . 1027 . 1 1 1 ASP H3 H 1.337 -2.508 -0.112 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 5 . 1028 . 1 1 1 ASP HA H 0.894 -0.157 -0.380 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 5 . 1029 . 1 1 1 ASP HB2 H 3.229 -0.846 -0.181 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1030 . 1 1 1 ASP HB3 H 3.313 -1.171 -1.919 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1031 . 1 1 1 ASP N N 0.958 -2.168 -0.980 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 5 . 1032 . 1 1 1 ASP O O 0.858 -0.935 -3.532 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 5 . 1033 . 1 1 1 ASP OD1 O 2.700 1.788 -0.626 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1034 . 1 1 1 ASP OD2 O 3.928 1.229 -2.362 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1035 . 1 1 2 TRP C C 0.596 2.104 -4.570 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 5 . 1036 . 1 1 2 TRP CA C -0.513 1.496 -3.703 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 5 . 1037 . 1 1 2 TRP CB C -1.599 2.507 -3.304 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 5 . 1038 . 1 1 2 TRP CD1 C -3.740 2.195 -4.620 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1039 . 1 1 2 TRP CD2 C -2.513 3.903 -5.394 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1040 . 1 1 2 TRP CE2 C -3.692 3.842 -6.197 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1041 . 1 1 2 TRP CE3 C -1.578 4.914 -5.705 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 5 . 1042 . 1 1 2 TRP CG C -2.577 2.844 -4.388 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 5 . 1043 . 1 1 2 TRP CH2 C -2.989 5.743 -7.519 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 5 . 1044 . 1 1 2 TRP CZ2 C -3.933 4.744 -7.244 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 5 . 1045 . 1 1 2 TRP CZ3 C -1.814 5.827 -6.752 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 5 . 1046 . 1 1 2 TRP H H 0.074 1.476 -1.664 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 5 . 1047 . 1 1 2 TRP HA H -1.005 0.702 -4.265 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 5 . 1048 . 1 1 2 TRP HB2 H -2.169 2.094 -2.469 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1049 . 1 1 2 TRP HB3 H -1.131 3.427 -2.949 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1050 . 1 1 2 TRP HD1 H -4.106 1.348 -4.051 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1051 . 1 1 2 TRP HE1 H -5.298 2.446 -6.021 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1052 . 1 1 2 TRP HE3 H -0.668 4.979 -5.126 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 5 . 1053 . 1 1 2 TRP HH2 H -3.176 6.440 -8.323 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 5 . 1054 . 1 1 2 TRP HZ2 H -4.833 4.683 -7.838 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 5 . 1055 . 1 1 2 TRP HZ3 H -1.090 6.599 -6.969 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 5 . 1056 . 1 1 2 TRP N N 0.096 0.920 -2.508 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 5 . 1057 . 1 1 2 TRP NE1 N -4.400 2.775 -5.683 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1058 . 1 1 2 TRP O O 1.177 3.132 -4.210 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 5 . 1059 . 1 1 3 GLU C C 1.494 3.082 -7.392 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 5 . 1060 . 1 1 3 GLU CA C 1.969 1.857 -6.601 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 5 . 1061 . 1 1 3 GLU CB C 2.355 0.678 -7.500 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 5 . 1062 . 1 1 3 GLU CD C 3.988 -0.274 -9.189 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 5 . 1063 . 1 1 3 GLU CG C 3.578 0.967 -8.380 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 5 . 1064 . 1 1 3 GLU H H 0.396 0.609 -5.918 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 5 . 1065 . 1 1 3 GLU HA H 2.847 2.115 -6.019 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 5 . 1066 . 1 1 3 GLU HB2 H 2.579 -0.185 -6.871 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1067 . 1 1 3 GLU HB3 H 1.506 0.435 -8.129 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1068 . 1 1 3 GLU HG2 H 3.349 1.784 -9.065 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 5 . 1069 . 1 1 3 GLU HG3 H 4.409 1.281 -7.745 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 5 . 1070 . 1 1 3 GLU N N 0.911 1.446 -5.687 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 5 . 1071 . 1 1 3 GLU O O 0.367 3.102 -7.896 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 5 . 1072 . 1 1 3 GLU OE1 O 3.424 -0.506 -10.286 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1073 . 1 1 3 GLU OE2 O 4.888 -1.025 -8.742 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1074 . 1 1 4 TYR C C 2.092 5.171 -9.718 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 5 . 1075 . 1 1 4 TYR CA C 2.024 5.347 -8.195 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 5 . 1076 . 1 1 4 TYR CB C 2.934 6.492 -7.726 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 5 . 1077 . 1 1 4 TYR CD1 C 1.291 7.925 -6.434 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1078 . 1 1 4 TYR CD2 C 2.478 8.921 -8.311 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1079 . 1 1 4 TYR CE1 C 0.607 9.135 -6.219 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1080 . 1 1 4 TYR CE2 C 1.801 10.136 -8.104 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1081 . 1 1 4 TYR CG C 2.218 7.809 -7.487 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 5 . 1082 . 1 1 4 TYR CZ C 0.857 10.247 -7.056 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 5 . 1083 . 1 1 4 TYR H H 3.266 4.030 -7.085 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 5 . 1084 . 1 1 4 TYR HA H 1.007 5.628 -7.941 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 5 . 1085 . 1 1 4 TYR HB2 H 3.444 6.214 -6.804 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1086 . 1 1 4 TYR HB3 H 3.674 6.642 -8.505 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1087 . 1 1 4 TYR HD1 H 1.100 7.080 -5.786 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1088 . 1 1 4 TYR HD2 H 3.213 8.854 -9.098 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1089 . 1 1 4 TYR HE1 H -0.108 9.212 -5.411 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1090 . 1 1 4 TYR HE2 H 2.012 10.984 -8.742 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1091 . 1 1 4 TYR HH H 0.432 12.122 -7.463 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 5 . 1092 . 1 1 4 TYR N N 2.346 4.107 -7.494 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 5 . 1093 . 1 1 4 TYR O O 2.537 4.140 -10.231 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 5 . 1094 . 1 1 4 TYR OH O 0.191 11.419 -6.841 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 5 . 1095 . 1 1 5 HIS C C 2.881 7.169 -12.311 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 5 . 1096 . 1 1 5 HIS CA C 1.691 6.300 -11.881 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 5 . 1097 . 1 1 5 HIS CB C 0.343 6.859 -12.388 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 5 . 1098 . 1 1 5 HIS CD2 C -0.994 4.874 -13.305 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1099 . 1 1 5 HIS CE1 C -0.870 5.285 -15.479 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1100 . 1 1 5 HIS CG C -0.267 6.020 -13.485 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 5 . 1101 . 1 1 5 HIS H H 1.484 7.065 -9.904 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 5 . 1102 . 1 1 5 HIS HA H 1.818 5.301 -12.294 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 5 . 1103 . 1 1 5 HIS HB2 H -0.363 6.915 -11.561 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1104 . 1 1 5 HIS HB3 H 0.459 7.876 -12.765 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1105 . 1 1 5 HIS HD1 H 0.263 7.048 -15.296 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1106 . 1 1 5 HIS HD2 H -1.240 4.402 -12.361 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1107 . 1 1 5 HIS HE1 H -0.998 5.202 -16.551 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1108 . 1 1 5 HIS HE2 H -1.913 3.597 -14.765 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1109 . 1 1 5 HIS N N 1.690 6.226 -10.425 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 5 . 1110 . 1 1 5 HIS ND1 N -0.198 6.266 -14.846 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 5 . 1111 . 1 1 5 HIS NE2 N -1.362 4.427 -14.562 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1112 . 1 1 5 HIS O O 3.845 6.684 -12.907 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 5 . 1113 . 1 1 6 ALA C C 4.949 9.481 -11.226 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 5 . 1114 . 1 1 6 ALA CA C 3.858 9.454 -12.299 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 5 . 1115 . 1 1 6 ALA CB C 3.189 10.821 -12.495 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 5 . 1116 . 1 1 6 ALA H H 2.040 8.770 -11.426 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 5 . 1117 . 1 1 6 ALA HA H 4.335 9.156 -13.238 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 5 . 1118 . 1 1 6 ALA HB1 H 2.436 10.760 -13.281 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 5 . 1119 . 1 1 6 ALA HB2 H 2.724 11.147 -11.564 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1120 . 1 1 6 ALA HB3 H 3.944 11.554 -12.786 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1121 . 1 1 6 ALA N N 2.843 8.458 -11.955 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 5 . 1122 . 1 1 6 ALA O O 5.200 10.504 -10.586 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 5 . 1123 . 1 1 7 HIS C C 7.832 9.045 -10.345 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 5 . 1124 . 1 1 7 HIS CA C 6.637 8.103 -10.075 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 5 . 1125 . 1 1 7 HIS CB C 7.079 6.631 -10.105 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 5 . 1126 . 1 1 7 HIS CD2 C 6.316 4.852 -11.786 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1127 . 1 1 7 HIS CE1 C 7.237 5.643 -13.639 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1128 . 1 1 7 HIS CG C 7.046 5.964 -11.462 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 5 . 1129 . 1 1 7 HIS H H 5.251 7.515 -11.533 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 5 . 1130 . 1 1 7 HIS HA H 6.227 8.304 -9.092 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 5 . 1131 . 1 1 7 HIS HB2 H 8.094 6.576 -9.724 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1132 . 1 1 7 HIS HB3 H 6.462 6.083 -9.395 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1133 . 1 1 7 HIS HD1 H 8.213 7.263 -12.718 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1134 . 1 1 7 HIS HD2 H 5.698 4.263 -11.119 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1135 . 1 1 7 HIS HE1 H 7.473 5.800 -14.684 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1136 . 1 1 7 HIS HE2 H 5.997 3.940 -13.701 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1137 . 1 1 7 HIS N N 5.548 8.315 -11.002 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 5 . 1138 . 1 1 7 HIS ND1 N 7.631 6.438 -12.627 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 5 . 1139 . 1 1 7 HIS NE2 N 6.454 4.662 -13.150 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1140 . 1 1 7 HIS O O 8.049 9.458 -11.495 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 5 . 1141 . 1 1 8 PRO C C 10.916 9.758 -10.165 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 5 . 1142 . 1 1 8 PRO CA C 9.737 10.279 -9.339 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 5 . 1143 . 1 1 8 PRO CB C 10.120 10.505 -7.873 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 5 . 1144 . 1 1 8 PRO CD C 8.501 8.774 -7.961 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 5 . 1145 . 1 1 8 PRO CG C 9.735 9.204 -7.181 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 5 . 1146 . 1 1 8 PRO HA H 9.401 11.225 -9.770 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 5 . 1147 . 1 1 8 PRO HB2 H 11.181 10.682 -7.751 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1148 . 1 1 8 PRO HB3 H 9.535 11.330 -7.462 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1149 . 1 1 8 PRO HD2 H 8.448 7.688 -7.988 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1150 . 1 1 8 PRO HD3 H 7.608 9.179 -7.495 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 5 . 1151 . 1 1 8 PRO HG2 H 10.528 8.467 -7.313 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 5 . 1152 . 1 1 8 PRO HG3 H 9.517 9.353 -6.123 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 5 . 1153 . 1 1 8 PRO N N 8.632 9.335 -9.300 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 5 . 1154 . 1 1 8 PRO O O 11.063 8.557 -10.403 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 5 . 1155 . 1 1 9 LYS C C 14.195 10.377 -10.516 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 5 . 1156 . 1 1 9 LYS CA C 12.942 10.463 -11.414 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 5 . 1157 . 1 1 9 LYS CB C 13.036 11.623 -12.423 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 5 . 1158 . 1 1 9 LYS CD C 10.697 11.360 -13.480 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 5 . 1159 . 1 1 9 LYS CE C 9.943 11.308 -14.814 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 5 . 1160 . 1 1 9 LYS CG C 12.215 11.422 -13.711 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 5 . 1161 . 1 1 9 LYS H H 11.618 11.656 -10.324 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 5 . 1162 . 1 1 9 LYS HA H 12.836 9.521 -11.953 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 5 . 1163 . 1 1 9 LYS HB2 H 12.729 12.549 -11.938 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1164 . 1 1 9 LYS HB3 H 14.073 11.758 -12.705 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1165 . 1 1 9 LYS HD2 H 10.453 10.463 -12.910 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1166 . 1 1 9 LYS HD3 H 10.384 12.242 -12.917 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 5 . 1167 . 1 1 9 LYS HE2 H 10.208 12.185 -15.409 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1168 . 1 1 9 LYS HE3 H 10.254 10.415 -15.361 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 5 . 1169 . 1 1 9 LYS HG2 H 12.430 12.257 -14.380 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 5 . 1170 . 1 1 9 LYS HG3 H 12.541 10.503 -14.202 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 5 . 1171 . 1 1 9 LYS HZ1 H 8.205 10.490 -14.037 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 5 . 1172 . 1 1 9 LYS HZ2 H 7.998 11.195 -15.503 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 5 . 1173 . 1 1 9 LYS HZ3 H 8.153 12.123 -14.166 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 5 . 1174 . 1 1 9 LYS N N 11.760 10.695 -10.599 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 5 . 1175 . 1 1 9 LYS NZ N 8.473 11.276 -14.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 5 . 1176 . 1 1 9 LYS O O 14.145 10.815 -9.362 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 5 . 1177 . 1 1 10 HYP C C 17.327 10.932 -10.128 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 5 . 1178 . 1 1 10 HYP CA C 16.535 9.618 -10.241 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 5 . 1179 . 1 1 10 HYP CB C 17.258 8.467 -10.953 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 5 . 1180 . 1 1 10 HYP CD C 15.461 9.247 -12.348 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 5 . 1181 . 1 1 10 HYP CG C 16.870 8.656 -12.420 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 5 . 1182 . 1 1 10 HYP HA H 16.282 9.292 -9.230 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 5 . 1183 . 1 1 10 HYP HB2 H 18.339 8.487 -10.802 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1184 . 1 1 10 HYP HB3 H 16.857 7.522 -10.585 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1185 . 1 1 10 HYP HD1 H 17.807 7.168 -13.244 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1186 . 1 1 10 HYP HD22 H 14.710 8.468 -12.485 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 5 . 1187 . 1 1 10 HYP HD23 H 15.355 10.011 -13.119 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 5 . 1188 . 1 1 10 HYP HG H 17.541 9.375 -12.888 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 5 . 1189 . 1 1 10 HYP N N 15.318 9.827 -11.017 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 5 . 1190 . 1 1 10 HYP O O 16.951 11.815 -9.357 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 5 . 1191 . 1 1 10 HYP OD1 O 16.875 7.434 -13.129 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1192 . 1 1 11 ASN C C 18.834 13.486 -11.517 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 5 . 1193 . 1 1 11 ASN CA C 19.354 12.221 -10.813 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 5 . 1194 . 1 1 11 ASN CB C 20.735 11.788 -11.328 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 5 . 1195 . 1 1 11 ASN CG C 20.818 11.615 -12.850 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 5 . 1196 . 1 1 11 ASN H H 18.646 10.366 -11.547 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 5 . 1197 . 1 1 11 ASN HA H 19.471 12.470 -9.757 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 5 . 1198 . 1 1 11 ASN HB2 H 21.447 12.548 -11.015 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1199 . 1 1 11 ASN HB3 H 21.019 10.856 -10.843 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1200 . 1 1 11 ASN HD21 H 22.516 12.729 -12.970 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 5 . 1201 . 1 1 11 ASN HD22 H 21.914 12.085 -14.495 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 5 . 1202 . 1 1 11 ASN N N 18.413 11.096 -10.889 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 5 . 1203 . 1 1 11 ASN ND2 N 21.837 12.181 -13.489 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 5 . 1204 . 1 1 11 ASN O O 19.570 14.202 -12.195 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 5 . 1205 . 1 1 11 ASN OD1 O 19.975 10.958 -13.460 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1206 . 1 1 12 SER C C 17.470 16.241 -11.637 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 5 . 1207 . 1 1 12 SER CA C 16.855 14.879 -12.004 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 5 . 1208 . 1 1 12 SER CB C 15.363 14.781 -11.634 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 5 . 1209 . 1 1 12 SER H H 17.027 13.184 -10.717 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 5 . 1210 . 1 1 12 SER HA H 16.985 14.738 -13.069 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 5 . 1211 . 1 1 12 SER HB2 H 15.045 13.743 -11.732 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1212 . 1 1 12 SER HB3 H 15.236 15.078 -10.592 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1213 . 1 1 12 SER HG H 14.539 15.229 -13.366 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 5 . 1214 . 1 1 12 SER N N 17.549 13.778 -11.346 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 5 . 1215 . 1 1 12 SER O O 17.455 17.175 -12.442 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 5 . 1216 . 1 1 12 SER OG O 14.521 15.579 -12.453 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 5 . 1217 . 1 1 13 . C C 19.943 18.007 -10.634 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 5 . 1218 . 1 1 13 . CA C 18.722 17.489 -9.847 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 5 . 1219 . 1 1 13 . CB C 17.689 18.590 -9.621 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 5 . 1220 . 1 1 13 . CD1 C 17.053 18.625 -7.168 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1221 . 1 1 13 . CD2 C 15.462 17.716 -8.772 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1222 . 1 1 13 . CE1 C 16.154 18.352 -6.122 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1223 . 1 1 13 . CE2 C 14.565 17.440 -7.724 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1224 . 1 1 13 . CG C 16.710 18.309 -8.497 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 5 . 1225 . 1 1 13 . CZ C 14.910 17.757 -6.399 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 5 . 1226 . 1 1 13 . H H 18.026 15.490 -9.880 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 5 . 1227 . 1 1 13 . HA H 19.099 17.183 -8.870 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 5 . 1228 . 1 1 13 . HB2 H 17.144 18.787 -10.540 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1229 . 1 1 13 . HB3 H 18.253 19.482 -9.398 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1230 . 1 1 13 . HD1 H 18.010 19.079 -6.947 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1231 . 1 1 13 . HD2 H 15.189 17.469 -9.789 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1232 . 1 1 13 . HE1 H 16.421 18.598 -5.103 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1233 . 1 1 13 . HE2 H 13.609 16.982 -7.939 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1234 . 1 1 13 . HZ H 14.220 17.545 -5.593 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 5 . 1235 . 1 1 13 . N N 18.072 16.319 -10.444 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 5 . 1236 . 1 1 13 . O O 20.496 19.065 -10.323 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 5 . 1237 . 1 1 14 TRP C C 21.183 18.068 -13.841 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 5 . 1238 . 1 1 14 TRP CA C 21.549 17.508 -12.459 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 5 . 1239 . 1 1 14 TRP CB C 22.312 16.185 -12.585 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 5 . 1240 . 1 1 14 TRP CD1 C 22.222 15.115 -10.267 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1241 . 1 1 14 TRP CD2 C 24.303 15.605 -10.918 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 5 . 1242 . 1 1 14 TRP CE2 C 24.408 15.011 -9.626 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 5 . 1243 . 1 1 14 TRP CE3 C 25.499 16.021 -11.536 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 5 . 1244 . 1 1 14 TRP CG C 22.899 15.648 -11.310 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 5 . 1245 . 1 1 14 TRP CH2 C 26.820 15.245 -9.633 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 5 . 1246 . 1 1 14 TRP CZ2 C 25.644 14.828 -8.985 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 5 . 1247 . 1 1 14 TRP CZ3 C 26.746 15.843 -10.905 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 5 . 1248 . 1 1 14 TRP H H 19.887 16.398 -11.813 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 5 . 1249 . 1 1 14 TRP HA H 22.180 18.244 -11.969 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 5 . 1250 . 1 1 14 TRP HB2 H 21.652 15.430 -13.021 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 5 . 1251 . 1 1 14 TRP HB3 H 23.129 16.349 -13.284 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 5 . 1252 . 1 1 14 TRP HD1 H 21.146 15.010 -10.212 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 5 . 1253 . 1 1 14 TRP HE1 H 22.805 14.311 -8.403 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1254 . 1 1 14 TRP HE3 H 25.438 16.486 -12.509 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 5 . 1255 . 1 1 14 TRP HH2 H 27.780 15.111 -9.153 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 5 . 1256 . 1 1 14 TRP HZ2 H 25.692 14.373 -8.005 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 5 . 1257 . 1 1 14 TRP HZ3 H 27.651 16.169 -11.401 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 5 . 1258 . 1 1 14 TRP N N 20.381 17.252 -11.635 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 5 . 1259 . 1 1 14 TRP NE1 N 23.103 14.732 -9.276 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 5 . 1260 . 1 1 14 TRP O O 22.079 18.429 -14.609 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 5 . 1261 . 1 1 15 THR C C 18.212 19.587 -15.195 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 5 . 1262 . 1 1 15 THR CA C 19.363 18.594 -15.448 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 5 . 1263 . 1 1 15 THR CB C 18.998 17.367 -16.325 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 5 . 1264 . 1 1 15 THR CG2 C 20.257 16.749 -16.953 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 5 . 1265 . 1 1 15 THR H H 19.212 17.862 -13.469 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 5 . 1266 . 1 1 15 THR HA H 20.135 19.158 -15.972 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 5 . 1267 . 1 1 15 THR HB H 18.353 17.692 -17.143 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 5 . 1268 . 1 1 15 THR HG1 H 17.943 15.717 -16.220 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 5 . 1269 . 1 1 15 THR HG21 H 20.914 16.343 -16.183 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 5 . 1270 . 1 1 15 THR HG22 H 20.798 17.508 -17.519 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 5 . 1271 . 1 1 15 THR HG23 H 19.974 15.948 -17.638 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 5 . 1272 . 1 1 15 THR N N 19.892 18.137 -14.165 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 5 . 1273 . 1 1 15 THR O O 18.253 20.303 -14.165 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 5 . 1274 . 1 1 15 THR OXT O 17.303 19.726 -16.046 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 5 . 1275 . 1 1 15 THR OG1 O 18.337 16.344 -15.587 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 6 . 1276 . 1 1 1 ASP C C 0.289 -0.520 -2.873 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 6 . 1277 . 1 1 1 ASP CA C 0.667 -1.139 -1.529 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 6 . 1278 . 1 1 1 ASP CB C 2.165 -0.955 -1.258 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 6 . 1279 . 1 1 1 ASP CG C 2.534 0.531 -1.325 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 6 . 1280 . 1 1 1 ASP H1 H 0.746 -3.054 -2.248 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 6 . 1281 . 1 1 1 ASP H2 H -0.716 -2.650 -1.641 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 6 . 1282 . 1 1 1 ASP H3 H 0.526 -2.983 -0.619 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 6 . 1283 . 1 1 1 ASP HA H 0.124 -0.613 -0.743 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 6 . 1284 . 1 1 1 ASP HB2 H 2.404 -1.340 -0.264 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1285 . 1 1 1 ASP HB3 H 2.744 -1.520 -1.992 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1286 . 1 1 1 ASP N N 0.278 -2.565 -1.501 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 6 . 1287 . 1 1 1 ASP O O 0.558 -1.113 -3.922 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 6 . 1288 . 1 1 1 ASP OD1 O 1.947 1.327 -0.555 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1289 . 1 1 1 ASP OD2 O 3.413 0.903 -2.137 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1290 . 1 1 2 TRP C C 0.436 2.011 -4.715 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 6 . 1291 . 1 1 2 TRP CA C -0.784 1.334 -4.080 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 6 . 1292 . 1 1 2 TRP CB C -1.929 2.308 -3.761 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 6 . 1293 . 1 1 2 TRP CD1 C -3.809 2.160 -5.455 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1294 . 1 1 2 TRP CD2 C -2.488 3.935 -5.806 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1295 . 1 1 2 TRP CE2 C -3.508 3.975 -6.803 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1296 . 1 1 2 TRP CE3 C -1.525 4.966 -5.830 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 6 . 1297 . 1 1 2 TRP CG C -2.712 2.770 -4.953 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 6 . 1298 . 1 1 2 TRP CH2 C -2.609 6.011 -7.754 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 6 . 1299 . 1 1 2 TRP CZ2 C -3.574 4.994 -7.766 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 6 . 1300 . 1 1 2 TRP CZ3 C -1.587 5.997 -6.788 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 6 . 1301 . 1 1 2 TRP H H -0.510 1.129 -1.985 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 6 . 1302 . 1 1 2 TRP HA H -1.180 0.600 -4.780 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 6 . 1303 . 1 1 2 TRP HB2 H -2.628 1.816 -3.083 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1304 . 1 1 2 TRP HB3 H -1.532 3.180 -3.239 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1305 . 1 1 2 TRP HD1 H -4.257 1.257 -5.058 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1306 . 1 1 2 TRP HE1 H -5.103 2.580 -7.068 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1307 . 1 1 2 TRP HE3 H -0.731 4.950 -5.098 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 6 . 1308 . 1 1 2 TRP HH2 H -2.662 6.799 -8.492 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 6 . 1309 . 1 1 2 TRP HZ2 H -4.355 5.009 -8.511 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 6 . 1310 . 1 1 2 TRP HZ3 H -0.847 6.784 -6.782 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 6 . 1311 . 1 1 2 TRP N N -0.358 0.651 -2.863 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 6 . 1312 . 1 1 2 TRP NE1 N -4.281 2.862 -6.544 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1313 . 1 1 2 TRP O O 0.945 3.005 -4.188 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 6 . 1314 . 1 1 3 GLU C C 1.629 3.195 -7.365 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 6 . 1315 . 1 1 3 GLU CA C 2.066 1.962 -6.565 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 6 . 1316 . 1 1 3 GLU CB C 2.639 0.848 -7.449 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 6 . 1317 . 1 1 3 GLU CD C 4.551 0.048 -8.908 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 6 . 1318 . 1 1 3 GLU CG C 3.962 1.232 -8.124 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 6 . 1319 . 1 1 3 GLU H H 0.451 0.639 -6.201 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 6 . 1320 . 1 1 3 GLU HA H 2.840 2.240 -5.858 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 6 . 1321 . 1 1 3 GLU HB2 H 2.811 -0.035 -6.833 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1322 . 1 1 3 GLU HB3 H 1.903 0.603 -8.208 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1323 . 1 1 3 GLU HG2 H 3.797 2.068 -8.804 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 6 . 1324 . 1 1 3 GLU HG3 H 4.672 1.554 -7.360 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 6 . 1325 . 1 1 3 GLU N N 0.919 1.451 -5.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 6 . 1326 . 1 1 3 GLU O O 0.533 3.215 -7.934 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 6 . 1327 . 1 1 3 GLU OE1 O 4.170 -0.159 -10.086 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1328 . 1 1 3 GLU OE2 O 5.410 -0.683 -8.357 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1329 . 1 1 4 TYR C C 2.256 5.281 -9.639 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 6 . 1330 . 1 1 4 TYR CA C 2.190 5.468 -8.118 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 6 . 1331 . 1 1 4 TYR CB C 3.127 6.593 -7.658 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 6 . 1332 . 1 1 4 TYR CD1 C 1.553 8.082 -6.345 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1333 . 1 1 4 TYR CD2 C 2.706 9.021 -8.272 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1334 . 1 1 4 TYR CE1 C 0.902 9.310 -6.129 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1335 . 1 1 4 TYR CE2 C 2.062 10.253 -8.064 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1336 . 1 1 4 TYR CG C 2.446 7.929 -7.422 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 6 . 1337 . 1 1 4 TYR CZ C 1.153 10.403 -6.992 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 6 . 1338 . 1 1 4 TYR H H 3.378 4.153 -6.952 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 6 . 1339 . 1 1 4 TYR HA H 1.179 5.776 -7.868 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 6 . 1340 . 1 1 4 TYR HB2 H 3.635 6.306 -6.738 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1341 . 1 1 4 TYR HB3 H 3.866 6.721 -8.442 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1342 . 1 1 4 TYR HD1 H 1.361 7.251 -5.678 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1343 . 1 1 4 TYR HD2 H 3.415 8.924 -9.079 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1344 . 1 1 4 TYR HE1 H 0.214 9.413 -5.300 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1345 . 1 1 4 TYR HE2 H 2.271 11.088 -8.720 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1346 . 1 1 4 TYR HH H -0.070 11.606 -6.034 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 6 . 1347 . 1 1 4 TYR N N 2.479 4.226 -7.408 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 6 . 1348 . 1 1 4 TYR O O 2.703 4.248 -10.148 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 6 . 1349 . 1 1 4 TYR OH O 0.531 11.602 -6.795 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 6 . 1350 . 1 1 5 HIS C C 3.018 7.243 -12.262 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 6 . 1351 . 1 1 5 HIS CA C 1.826 6.393 -11.803 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 6 . 1352 . 1 1 5 HIS CB C 0.472 6.959 -12.287 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 6 . 1353 . 1 1 5 HIS CD2 C -0.889 4.965 -13.147 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1354 . 1 1 5 HIS CE1 C -0.840 5.362 -15.326 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1355 . 1 1 5 HIS CG C -0.171 6.111 -13.357 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 6 . 1356 . 1 1 5 HIS H H 1.665 7.178 -9.829 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 6 . 1357 . 1 1 5 HIS HA H 1.935 5.388 -12.208 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 6 . 1358 . 1 1 5 HIS HB2 H -0.216 7.031 -11.445 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1359 . 1 1 5 HIS HB3 H 0.588 7.970 -12.678 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1360 . 1 1 5 HIS HD1 H 0.294 7.130 -15.192 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1361 . 1 1 5 HIS HD2 H -1.103 4.499 -12.191 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1362 . 1 1 5 HIS HE1 H -1.004 5.273 -16.393 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1363 . 1 1 5 HIS HE2 H -1.854 3.677 -14.567 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1364 . 1 1 5 HIS N N 1.854 6.333 -10.348 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 6 . 1365 . 1 1 5 HIS ND1 N -0.149 6.349 -14.722 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 6 . 1366 . 1 1 5 HIS NE2 N -1.298 4.509 -14.388 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1367 . 1 1 5 HIS O O 3.974 6.737 -12.852 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 6 . 1368 . 1 1 6 ALA C C 5.093 9.582 -11.219 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 6 . 1369 . 1 1 6 ALA CA C 4.019 9.516 -12.306 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 6 . 1370 . 1 1 6 ALA CB C 3.361 10.877 -12.571 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 6 . 1371 . 1 1 6 ALA H H 2.197 8.873 -11.405 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 6 . 1372 . 1 1 6 ALA HA H 4.510 9.174 -13.223 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 6 . 1373 . 1 1 6 ALA HB1 H 4.125 11.592 -12.881 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 6 . 1374 . 1 1 6 ALA HB2 H 2.619 10.785 -13.365 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1375 . 1 1 6 ALA HB3 H 2.883 11.244 -11.662 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1376 . 1 1 6 ALA N N 2.993 8.541 -11.934 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 6 . 1377 . 1 1 6 ALA O O 5.342 10.631 -10.620 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 6 . 1378 . 1 1 7 HIS C C 7.955 9.151 -10.265 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 6 . 1379 . 1 1 7 HIS CA C 6.740 8.246 -9.965 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 6 . 1380 . 1 1 7 HIS CB C 7.156 6.767 -9.894 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 6 . 1381 . 1 1 7 HIS CD2 C 6.352 4.911 -11.471 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1382 . 1 1 7 HIS CE1 C 7.318 5.554 -13.357 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1383 . 1 1 7 HIS CG C 7.121 6.013 -11.206 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 6 . 1384 . 1 1 7 HIS H H 5.394 7.603 -11.436 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 6 . 1385 . 1 1 7 HIS HA H 6.309 8.512 -9.007 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 6 . 1386 . 1 1 7 HIS HB2 H 8.166 6.720 -9.500 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1387 . 1 1 7 HIS HB3 H 6.523 6.277 -9.157 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1388 . 1 1 7 HIS HD1 H 8.345 7.190 -12.525 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1389 . 1 1 7 HIS HD2 H 5.702 4.390 -10.777 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1390 . 1 1 7 HIS HE1 H 7.564 5.642 -14.408 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1391 . 1 1 7 HIS HE2 H 6.014 3.899 -13.331 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1392 . 1 1 7 HIS N N 5.677 8.422 -10.929 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 6 . 1393 . 1 1 7 HIS ND1 N 7.733 6.393 -12.390 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 6 . 1394 . 1 1 7 HIS NE2 N 6.495 4.633 -12.818 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1395 . 1 1 7 HIS O O 8.203 9.490 -11.433 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 6 . 1396 . 1 1 8 PRO C C 11.045 9.834 -10.051 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 6 . 1397 . 1 1 8 PRO CA C 9.853 10.423 -9.293 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 6 . 1398 . 1 1 8 PRO CB C 10.202 10.740 -7.836 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 6 . 1399 . 1 1 8 PRO CD C 8.570 9.018 -7.855 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 6 . 1400 . 1 1 8 PRO CG C 9.787 9.490 -7.072 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 6 . 1401 . 1 1 8 PRO HA H 9.543 11.342 -9.795 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 6 . 1402 . 1 1 8 PRO HB2 H 11.261 10.916 -7.698 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1403 . 1 1 8 PRO HB3 H 9.614 11.595 -7.496 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1404 . 1 1 8 PRO HD2 H 8.512 7.932 -7.818 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1405 . 1 1 8 PRO HD3 H 7.669 9.455 -7.437 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 6 . 1406 . 1 1 8 PRO HG2 H 10.577 8.740 -7.135 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 6 . 1407 . 1 1 8 PRO HG3 H 9.542 9.708 -6.033 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 6 . 1408 . 1 1 8 PRO N N 8.736 9.495 -9.222 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 6 . 1409 . 1 1 8 PRO O O 11.185 8.618 -10.200 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 6 . 1410 . 1 1 9 LYS C C 14.332 10.392 -10.327 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 6 . 1411 . 1 1 9 LYS CA C 13.117 10.428 -11.279 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 6 . 1412 . 1 1 9 LYS CB C 13.269 11.512 -12.361 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 6 . 1413 . 1 1 9 LYS CD C 10.971 11.200 -13.488 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 6 . 1414 . 1 1 9 LYS CE C 10.269 11.067 -14.845 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 6 . 1415 . 1 1 9 LYS CG C 12.498 11.229 -13.664 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 6 . 1416 . 1 1 9 LYS H H 11.771 11.710 -10.323 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 6 . 1417 . 1 1 9 LYS HA H 13.016 9.451 -11.753 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 6 . 1418 . 1 1 9 LYS HB2 H 12.951 12.470 -11.954 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1419 . 1 1 9 LYS HB3 H 14.319 11.617 -12.606 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1420 . 1 1 9 LYS HD2 H 10.692 10.348 -12.868 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1421 . 1 1 9 LYS HD3 H 10.649 12.122 -13.001 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 6 . 1422 . 1 1 9 LYS HE2 H 10.570 11.898 -15.486 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1423 . 1 1 9 LYS HE3 H 10.588 10.136 -15.318 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 6 . 1424 . 1 1 9 LYS HG2 H 12.749 12.014 -14.379 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 6 . 1425 . 1 1 9 LYS HG3 H 12.831 10.276 -14.077 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 6 . 1426 . 1 1 9 LYS HZ1 H 8.351 10.935 -15.601 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 6 . 1427 . 1 1 9 LYS HZ2 H 8.468 11.946 -14.323 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 6 . 1428 . 1 1 9 LYS HZ3 H 8.489 10.324 -14.087 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 6 . 1429 . 1 1 9 LYS N N 11.910 10.731 -10.526 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 6 . 1430 . 1 1 9 LYS NZ N 8.792 11.067 -14.702 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 6 . 1431 . 1 1 9 LYS O O 14.255 10.944 -9.225 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 6 . 1432 . 1 1 10 HYP C C 17.439 10.878 -9.805 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 6 . 1433 . 1 1 10 HYP CA C 16.623 9.579 -9.877 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 6 . 1434 . 1 1 10 HYP CB C 17.363 8.376 -10.479 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 6 . 1435 . 1 1 10 HYP CD C 15.634 9.081 -12.003 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 6 . 1436 . 1 1 10 HYP CG C 17.025 8.446 -11.969 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 6 . 1437 . 1 1 10 HYP HA H 16.309 9.319 -8.864 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 6 . 1438 . 1 1 10 HYP HB2 H 18.438 8.407 -10.295 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1439 . 1 1 10 HYP HB3 H 16.951 7.464 -10.051 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1440 . 1 1 10 HYP HD1 H 17.941 6.865 -12.628 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1441 . 1 1 10 HYP HD22 H 14.863 8.318 -12.118 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 6 . 1442 . 1 1 10 HYP HD23 H 15.586 9.790 -12.832 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 6 . 1443 . 1 1 10 HYP HG H 17.731 9.101 -12.476 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 6 . 1444 . 1 1 10 HYP N N 15.453 9.763 -10.728 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 6 . 1445 . 1 1 10 HYP O O 17.120 11.770 -9.018 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 6 . 1446 . 1 1 10 HYP OD1 O 17.014 7.167 -12.569 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1447 . 1 1 11 ASN C C 18.828 13.364 -11.402 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 6 . 1448 . 1 1 11 ASN CA C 19.409 12.152 -10.658 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 6 . 1449 . 1 1 11 ASN CB C 20.771 11.705 -11.215 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 6 . 1450 . 1 1 11 ASN CG C 20.784 11.450 -12.728 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 6 . 1451 . 1 1 11 ASN H H 18.661 10.271 -11.288 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 6 . 1452 . 1 1 11 ASN HA H 19.570 12.463 -9.624 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 6 . 1453 . 1 1 11 ASN HB2 H 21.488 12.487 -10.978 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1454 . 1 1 11 ASN HB3 H 21.090 10.803 -10.696 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1455 . 1 1 11 ASN HD21 H 22.469 12.560 -12.984 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 6 . 1456 . 1 1 11 ASN HD22 H 21.804 11.832 -14.444 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 6 . 1457 . 1 1 11 ASN N N 18.478 11.018 -10.632 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 6 . 1458 . 1 1 11 ASN ND2 N 21.770 11.984 -13.442 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 6 . 1459 . 1 1 11 ASN O O 19.498 14.029 -12.193 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 6 . 1460 . 1 1 11 ASN OD1 O 19.917 10.761 -13.263 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1461 . 1 1 12 SER C C 17.470 16.078 -11.668 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 6 . 1462 . 1 1 12 SER CA C 16.796 14.706 -11.814 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 6 . 1463 . 1 1 12 SER CB C 15.365 14.681 -11.252 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 6 . 1464 . 1 1 12 SER H H 17.102 13.126 -10.415 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 6 . 1465 . 1 1 12 SER HA H 16.777 14.461 -12.867 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 6 . 1466 . 1 1 12 SER HB2 H 15.027 13.645 -11.192 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1467 . 1 1 12 SER HB3 H 15.369 15.097 -10.244 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1468 . 1 1 12 SER HG H 13.564 15.358 -11.651 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 6 . 1469 . 1 1 12 SER N N 17.560 13.665 -11.138 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 6 . 1470 . 1 1 12 SER O O 17.460 16.889 -12.596 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 6 . 1471 . 1 1 12 SER OG O 14.448 15.394 -12.066 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 6 . 1472 . 1 1 13 . C C 19.989 17.950 -10.949 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 6 . 1473 . 1 1 13 . CA C 18.792 17.520 -10.083 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 6 . 1474 . 1 1 13 . CB C 17.759 18.636 -9.977 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 6 . 1475 . 1 1 13 . CD1 C 17.060 18.653 -7.539 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1476 . 1 1 13 . CD2 C 15.448 17.920 -9.213 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1477 . 1 1 13 . CE1 C 16.121 18.396 -6.524 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1478 . 1 1 13 . CE2 C 14.512 17.660 -8.197 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1479 . 1 1 13 . CG C 16.727 18.414 -8.887 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 6 . 1480 . 1 1 13 . CZ C 14.847 17.898 -6.852 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 6 . 1481 . 1 1 13 . H H 18.076 15.539 -9.860 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 6 . 1482 . 1 1 13 . HA H 19.187 17.334 -9.083 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 6 . 1483 . 1 1 13 . HB2 H 17.259 18.761 -10.933 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1484 . 1 1 13 . HB3 H 18.314 19.542 -9.787 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1485 . 1 1 13 . HD1 H 18.041 19.025 -7.280 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1486 . 1 1 13 . HD2 H 15.187 17.727 -10.244 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1487 . 1 1 13 . HE1 H 16.383 18.572 -5.490 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1488 . 1 1 13 . HE2 H 13.537 17.269 -8.451 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1489 . 1 1 13 . HZ H 14.127 17.696 -6.070 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 6 . 1490 . 1 1 13 . N N 18.128 16.290 -10.523 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 6 . 1491 . 1 1 13 . O O 20.568 19.019 -10.742 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 6 . 1492 . 1 1 14 TRP C C 21.043 17.789 -14.198 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 6 . 1493 . 1 1 14 TRP CA C 21.492 17.294 -12.812 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 6 . 1494 . 1 1 14 TRP CB C 22.224 15.950 -12.897 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 6 . 1495 . 1 1 14 TRP CD1 C 22.282 15.056 -10.505 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1496 . 1 1 14 TRP CD2 C 24.318 15.476 -11.325 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 6 . 1497 . 1 1 14 TRP CE2 C 24.505 14.981 -10.001 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 6 . 1498 . 1 1 14 TRP CE3 C 25.473 15.837 -12.047 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 6 . 1499 . 1 1 14 TRP CG C 22.892 15.501 -11.628 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 6 . 1500 . 1 1 14 TRP CH2 C 26.912 15.199 -10.179 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 6 . 1501 . 1 1 14 TRP CZ2 C 25.779 14.839 -9.428 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 6 . 1502 . 1 1 14 TRP CZ3 C 26.757 15.700 -11.486 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 6 . 1503 . 1 1 14 TRP H H 19.854 16.259 -11.997 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 6 . 1504 . 1 1 14 TRP HA H 22.171 18.040 -12.402 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 6 . 1505 . 1 1 14 TRP HB2 H 21.526 15.178 -13.230 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 6 . 1506 . 1 1 14 TRP HB3 H 22.994 16.047 -13.660 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 6 . 1507 . 1 1 14 TRP HD1 H 21.212 14.966 -10.372 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 6 . 1508 . 1 1 14 TRP HE1 H 22.982 14.390 -8.627 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1509 . 1 1 14 TRP HE3 H 25.350 16.228 -13.047 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 6 . 1510 . 1 1 14 TRP HH2 H 27.901 15.096 -9.752 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 6 . 1511 . 1 1 14 TRP HZ2 H 25.889 14.460 -8.421 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 6 . 1512 . 1 1 14 TRP HZ3 H 27.629 15.982 -12.061 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 6 . 1513 . 1 1 14 TRP N N 20.373 17.112 -11.905 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 6 . 1514 . 1 1 14 TRP NE1 N 23.225 14.740 -9.548 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 6 . 1515 . 1 1 14 TRP O O 21.887 17.966 -15.082 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 6 . 1516 . 1 1 15 THR C C 19.694 19.994 -15.843 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 6 . 1517 . 1 1 15 THR CA C 19.200 18.550 -15.646 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 6 . 1518 . 1 1 15 THR CB C 17.663 18.417 -15.693 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 6 . 1519 . 1 1 15 THR CG2 C 17.243 16.979 -16.029 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 6 . 1520 . 1 1 15 THR H H 19.100 17.847 -13.639 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 6 . 1521 . 1 1 15 THR HA H 19.605 17.965 -16.474 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 6 . 1522 . 1 1 15 THR HB H 17.297 19.061 -16.494 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 6 . 1523 . 1 1 15 THR HG1 H 17.138 18.092 -13.828 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 6 . 1524 . 1 1 15 THR HG21 H 17.633 16.704 -17.010 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 6 . 1525 . 1 1 15 THR HG22 H 16.155 16.907 -16.059 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 6 . 1526 . 1 1 15 THR HG23 H 17.631 16.279 -15.287 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 6 . 1527 . 1 1 15 THR N N 19.738 17.990 -14.408 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 6 . 1528 . 1 1 15 THR O O 19.909 20.393 -17.011 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 6 . 1529 . 1 1 15 THR OXT O 19.903 20.723 -14.843 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 6 . 1530 . 1 1 15 THR OG1 O 17.028 18.810 -14.484 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 7 . 1531 . 1 1 1 ASP C C 0.449 -0.172 -2.406 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 7 . 1532 . 1 1 1 ASP CA C 0.796 -0.533 -0.961 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 7 . 1533 . 1 1 1 ASP CB C 1.908 0.389 -0.437 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 7 . 1534 . 1 1 1 ASP CG C 3.129 0.360 -1.367 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 7 . 1535 . 1 1 1 ASP H1 H 0.442 -2.535 -1.251 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 7 . 1536 . 1 1 1 ASP H2 H 1.326 -2.222 0.101 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 7 . 1537 . 1 1 1 ASP H3 H 2.019 -2.116 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 7 . 1538 . 1 1 1 ASP HA H -0.091 -0.374 -0.347 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 7 . 1539 . 1 1 1 ASP HB2 H 1.520 1.408 -0.365 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1540 . 1 1 1 ASP HB3 H 2.201 0.075 0.567 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1541 . 1 1 1 ASP N N 1.172 -1.961 -0.859 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 7 . 1542 . 1 1 1 ASP O O 0.829 -0.880 -3.344 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 7 . 1543 . 1 1 1 ASP OD1 O 3.746 -0.724 -1.497 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1544 . 1 1 1 ASP OD2 O 3.475 1.410 -1.956 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1545 . 1 1 2 TRP C C 0.520 2.114 -4.557 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 7 . 1546 . 1 1 2 TRP CA C -0.680 1.404 -3.922 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 7 . 1547 . 1 1 2 TRP CB C -1.933 2.284 -3.811 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 7 . 1548 . 1 1 2 TRP CD1 C -3.586 1.786 -5.672 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1549 . 1 1 2 TRP CD2 C -2.439 3.675 -6.028 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1550 . 1 1 2 TRP CE2 C -3.342 3.530 -7.123 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1551 . 1 1 2 TRP CE3 C -1.596 4.803 -6.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 7 . 1552 . 1 1 2 TRP CG C -2.627 2.555 -5.112 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 7 . 1553 . 1 1 2 TRP CH2 C -2.575 5.596 -8.125 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 7 . 1554 . 1 1 2 TRP CZ2 C -3.413 4.473 -8.162 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 7 . 1555 . 1 1 2 TRP CZ3 C -1.669 5.763 -7.062 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 7 . 1556 . 1 1 2 TRP H H -0.548 1.497 -1.808 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 7 . 1557 . 1 1 2 TRP HA H -0.951 0.557 -4.548 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 7 . 1558 . 1 1 2 TRP HB2 H -2.650 1.790 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1559 . 1 1 2 TRP HB3 H -1.668 3.236 -3.347 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1560 . 1 1 2 TRP HD1 H -3.975 0.867 -5.250 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1561 . 1 1 2 TRP HE1 H -4.733 1.940 -7.438 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1562 . 1 1 2 TRP HE3 H -0.886 4.912 -5.225 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 7 . 1563 . 1 1 2 TRP HH2 H -2.635 6.326 -8.919 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 7 . 1564 . 1 1 2 TRP HZ2 H -4.105 4.349 -8.981 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 7 . 1565 . 1 1 2 TRP HZ3 H -1.027 6.631 -7.037 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 7 . 1566 . 1 1 2 TRP N N -0.291 0.925 -2.600 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 7 . 1567 . 1 1 2 TRP NE1 N -4.009 2.352 -6.858 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1568 . 1 1 2 TRP O O 0.911 3.198 -4.114 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 7 . 1569 . 1 1 3 GLU C C 1.738 3.173 -7.196 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 7 . 1570 . 1 1 3 GLU CA C 2.242 2.021 -6.320 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 7 . 1571 . 1 1 3 GLU CB C 2.903 0.901 -7.131 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 7 . 1572 . 1 1 3 GLU CD C 4.868 0.166 -8.555 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 7 . 1573 . 1 1 3 GLU CG C 4.188 1.346 -7.841 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 7 . 1574 . 1 1 3 GLU H H 0.741 0.594 -5.870 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 7 . 1575 . 1 1 3 GLU HA H 2.982 2.390 -5.618 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 7 . 1576 . 1 1 3 GLU HB2 H 3.147 0.078 -6.458 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1577 . 1 1 3 GLU HB3 H 2.188 0.547 -7.866 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1578 . 1 1 3 GLU HG2 H 3.952 2.121 -8.572 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 7 . 1579 . 1 1 3 GLU HG3 H 4.873 1.773 -7.106 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 7 . 1580 . 1 1 3 GLU N N 1.115 1.481 -5.570 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 7 . 1581 . 1 1 3 GLU O O 0.662 3.078 -7.794 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 7 . 1582 . 1 1 3 GLU OE1 O 4.497 -0.146 -9.712 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1583 . 1 1 3 GLU OE2 O 5.789 -0.453 -7.970 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1584 . 1 1 4 TYR C C 2.163 5.259 -9.514 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 7 . 1585 . 1 1 4 TYR CA C 2.110 5.466 -7.995 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 7 . 1586 . 1 1 4 TYR CB C 2.962 6.670 -7.570 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 7 . 1587 . 1 1 4 TYR CD1 C 1.247 8.054 -6.318 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1588 . 1 1 4 TYR CD2 C 2.391 9.058 -8.219 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1589 . 1 1 4 TYR CE1 C 0.506 9.235 -6.134 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1590 . 1 1 4 TYR CE2 C 1.655 10.243 -8.042 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1591 . 1 1 4 TYR CG C 2.182 7.957 -7.366 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 7 . 1592 . 1 1 4 TYR CZ C 0.705 10.337 -6.999 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 7 . 1593 . 1 1 4 TYR H H 3.393 4.286 -6.786 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 7 . 1594 . 1 1 4 TYR HA H 1.083 5.696 -7.732 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 7 . 1595 . 1 1 4 TYR HB2 H 3.497 6.449 -6.646 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1596 . 1 1 4 TYR HB3 H 3.682 6.832 -8.364 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1597 . 1 1 4 TYR HD1 H 1.094 7.217 -5.650 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1598 . 1 1 4 TYR HD2 H 3.131 9.007 -9.003 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1599 . 1 1 4 TYR HE1 H -0.213 9.295 -5.327 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1600 . 1 1 4 TYR HE2 H 1.824 11.086 -8.699 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1601 . 1 1 4 TYR HH H -0.627 11.457 -6.089 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 7 . 1602 . 1 1 4 TYR N N 2.504 4.266 -7.265 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 7 . 1603 . 1 1 4 TYR O O 2.675 4.255 -10.018 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 7 . 1604 . 1 1 4 TYR OH O -0.005 11.489 -6.832 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 7 . 1605 . 1 1 5 HIS C C 2.801 7.132 -12.180 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 7 . 1606 . 1 1 5 HIS CA C 1.609 6.302 -11.683 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 7 . 1607 . 1 1 5 HIS CB C 0.249 6.868 -12.149 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 7 . 1608 . 1 1 5 HIS CD2 C -1.167 4.867 -12.897 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1609 . 1 1 5 HIS CE1 C -1.169 5.181 -15.090 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1610 . 1 1 5 HIS CG C -0.435 5.991 -13.170 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 7 . 1611 . 1 1 5 HIS H H 1.427 7.103 -9.718 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 7 . 1612 . 1 1 5 HIS HA H 1.700 5.288 -12.070 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 7 . 1613 . 1 1 5 HIS HB2 H -0.414 6.977 -11.293 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1614 . 1 1 5 HIS HB3 H 0.369 7.863 -12.581 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1615 . 1 1 5 HIS HD1 H -0.001 6.932 -15.053 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1616 . 1 1 5 HIS HD2 H -1.363 4.442 -11.919 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1617 . 1 1 5 HIS HE1 H -1.363 5.055 -16.148 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1618 . 1 1 5 HIS HE2 H -2.191 3.545 -14.241 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1619 . 1 1 5 HIS N N 1.666 6.267 -10.228 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 7 . 1620 . 1 1 5 HIS ND1 N -0.445 6.177 -14.543 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 7 . 1621 . 1 1 5 HIS NE2 N -1.617 4.372 -14.108 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1622 . 1 1 5 HIS O O 3.743 6.604 -12.774 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 7 . 1623 . 1 1 6 ALA C C 4.922 9.408 -11.203 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 7 . 1624 . 1 1 6 ALA CA C 3.813 9.409 -12.256 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 7 . 1625 . 1 1 6 ALA CB C 3.166 10.789 -12.440 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 7 . 1626 . 1 1 6 ALA H H 2.030 8.768 -11.305 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 7 . 1627 . 1 1 6 ALA HA H 4.255 9.101 -13.210 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 7 . 1628 . 1 1 6 ALA HB1 H 2.399 10.742 -13.214 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 7 . 1629 . 1 1 6 ALA HB2 H 2.719 11.125 -11.503 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1630 . 1 1 6 ALA HB3 H 3.929 11.507 -12.743 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1631 . 1 1 6 ALA N N 2.793 8.435 -11.871 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 7 . 1632 . 1 1 6 ALA O O 5.137 10.388 -10.486 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 7 . 1633 . 1 1 7 HIS C C 7.808 9.012 -10.300 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 7 . 1634 . 1 1 7 HIS CA C 6.668 7.978 -10.187 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 7 . 1635 . 1 1 7 HIS CB C 7.209 6.563 -10.453 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 7 . 1636 . 1 1 7 HIS CD2 C 8.468 6.582 -12.688 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1637 . 1 1 7 HIS CE1 C 6.997 5.545 -13.978 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1638 . 1 1 7 HIS CG C 7.404 6.210 -11.911 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 7 . 1639 . 1 1 7 HIS H H 5.248 7.482 -11.645 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 7 . 1640 . 1 1 7 HIS HA H 6.259 7.996 -9.180 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 7 . 1641 . 1 1 7 HIS HB2 H 8.175 6.486 -9.972 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1642 . 1 1 7 HIS HB3 H 6.576 5.843 -9.940 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1643 . 1 1 7 HIS HD1 H 5.593 5.183 -12.460 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1644 . 1 1 7 HIS HD2 H 9.336 7.149 -12.372 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1645 . 1 1 7 HIS HE1 H 6.484 5.161 -14.850 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1646 . 1 1 7 HIS HE2 H 8.787 6.304 -14.792 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1647 . 1 1 7 HIS N N 5.562 8.250 -11.077 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 7 . 1648 . 1 1 7 HIS ND1 N 6.503 5.545 -12.727 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 7 . 1649 . 1 1 7 HIS NE2 N 8.200 6.153 -13.976 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1650 . 1 1 7 HIS O O 7.993 9.631 -11.359 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 7 . 1651 . 1 1 8 PRO C C 10.873 9.614 -10.115 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 7 . 1652 . 1 1 8 PRO CA C 9.750 10.051 -9.171 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 7 . 1653 . 1 1 8 PRO CB C 10.198 10.039 -7.706 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 7 . 1654 . 1 1 8 PRO CD C 8.491 8.410 -7.979 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 7 . 1655 . 1 1 8 PRO CG C 9.764 8.674 -7.188 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 7 . 1656 . 1 1 8 PRO HA H 9.435 11.061 -9.441 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 7 . 1657 . 1 1 8 PRO HB2 H 11.271 10.139 -7.609 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1658 . 1 1 8 PRO HB3 H 9.679 10.830 -7.161 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1659 . 1 1 8 PRO HD2 H 8.378 7.340 -8.149 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1660 . 1 1 8 PRO HD3 H 7.632 8.788 -7.437 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 7 . 1661 . 1 1 8 PRO HG2 H 10.516 7.927 -7.445 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 7 . 1662 . 1 1 8 PRO HG3 H 9.580 8.685 -6.113 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 7 . 1663 . 1 1 8 PRO N N 8.615 9.147 -9.230 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 7 . 1664 . 1 1 8 PRO O O 10.985 8.447 -10.495 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 7 . 1665 . 1 1 9 LYS C C 14.144 10.219 -10.411 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 7 . 1666 . 1 1 9 LYS CA C 12.900 10.402 -11.307 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 7 . 1667 . 1 1 9 LYS CB C 13.022 11.635 -12.223 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 7 . 1668 . 1 1 9 LYS CD C 10.788 11.315 -13.480 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 7 . 1669 . 1 1 9 LYS CE C 10.108 11.233 -14.856 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 7 . 1670 . 1 1 9 LYS CG C 12.314 11.488 -13.582 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 7 . 1671 . 1 1 9 LYS H H 11.600 11.505 -10.085 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 7 . 1672 . 1 1 9 LYS HA H 12.785 9.507 -11.919 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 7 . 1673 . 1 1 9 LYS HB2 H 12.638 12.514 -11.707 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1674 . 1 1 9 LYS HB3 H 14.072 11.829 -12.413 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1675 . 1 1 9 LYS HD2 H 10.571 10.384 -12.955 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1676 . 1 1 9 LYS HD3 H 10.359 12.137 -12.905 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 7 . 1677 . 1 1 9 LYS HE2 H 10.594 10.454 -15.447 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1678 . 1 1 9 LYS HE3 H 9.066 10.940 -14.707 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 7 . 1679 . 1 1 9 LYS HG2 H 12.533 12.383 -14.165 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 7 . 1680 . 1 1 9 LYS HG3 H 12.735 10.631 -14.110 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 7 . 1681 . 1 1 9 LYS HZ1 H 11.087 12.801 -15.800 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 7 . 1682 . 1 1 9 LYS HZ2 H 9.682 13.250 -15.080 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 7 . 1683 . 1 1 9 LYS HZ3 H 9.656 12.420 -16.486 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 7 . 1684 . 1 1 9 LYS N N 11.715 10.582 -10.479 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 7 . 1685 . 1 1 9 LYS NZ N 10.139 12.516 -15.603 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 7 . 1686 . 1 1 9 LYS O O 14.086 10.539 -9.219 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 7 . 1687 . 1 1 10 HYP C C 17.279 10.731 -9.986 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 7 . 1688 . 1 1 10 HYP CA C 16.481 9.432 -10.199 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 7 . 1689 . 1 1 10 HYP CB C 17.191 8.333 -11.005 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 7 . 1690 . 1 1 10 HYP CD C 15.415 9.260 -12.335 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 7 . 1691 . 1 1 10 HYP CG C 16.819 8.663 -12.450 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 7 . 1692 . 1 1 10 HYP HA H 16.227 9.027 -9.218 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 7 . 1693 . 1 1 10 HYP HB2 H 18.270 8.318 -10.846 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1694 . 1 1 10 HYP HB3 H 16.769 7.366 -10.727 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1695 . 1 1 10 HYP HD1 H 17.751 7.253 -13.405 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1696 . 1 1 10 HYP HD22 H 14.658 8.505 -12.552 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 7 . 1697 . 1 1 10 HYP HD23 H 15.324 10.095 -13.031 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 7 . 1698 . 1 1 10 HYP HG H 17.501 9.417 -12.842 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 7 . 1699 . 1 1 10 HYP N N 15.266 9.712 -10.956 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 7 . 1700 . 1 1 10 HYP O O 16.862 11.588 -9.206 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 7 . 1701 . 1 1 10 HYP OD1 O 16.820 7.514 -13.272 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1702 . 1 1 11 ASN C C 18.824 13.287 -11.294 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 7 . 1703 . 1 1 11 ASN CA C 19.330 12.050 -10.535 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 7 . 1704 . 1 1 11 ASN CB C 20.754 11.628 -10.936 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 7 . 1705 . 1 1 11 ASN CG C 20.950 11.412 -12.442 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 7 . 1706 . 1 1 11 ASN H H 18.673 10.218 -11.354 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 7 . 1707 . 1 1 11 ASN HA H 19.362 12.316 -9.477 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 7 . 1708 . 1 1 11 ASN HB2 H 21.433 12.404 -10.592 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1709 . 1 1 11 ASN HB3 H 21.017 10.713 -10.407 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1710 . 1 1 11 ASN HD21 H 22.550 12.664 -12.499 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 7 . 1711 . 1 1 11 ASN HD22 H 22.115 11.911 -14.031 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 7 . 1712 . 1 1 11 ASN N N 18.411 10.914 -10.673 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 7 . 1713 . 1 1 11 ASN ND2 N 21.961 12.037 -13.037 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 7 . 1714 . 1 1 11 ASN O O 19.552 13.945 -12.037 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 7 . 1715 . 1 1 11 ASN OD1 O 20.203 10.668 -13.076 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1716 . 1 1 12 SER C C 17.525 16.027 -11.639 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 7 . 1717 . 1 1 12 SER CA C 16.835 14.665 -11.808 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 7 . 1718 . 1 1 12 SER CB C 15.384 14.670 -11.298 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 7 . 1719 . 1 1 12 SER H H 17.036 13.055 -10.423 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 7 . 1720 . 1 1 12 SER HA H 16.851 14.421 -12.861 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 7 . 1721 . 1 1 12 SER HB2 H 15.024 13.642 -11.248 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1722 . 1 1 12 SER HB3 H 15.362 15.086 -10.290 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1723 . 1 1 12 SER HG H 13.612 15.382 -11.757 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 7 . 1724 . 1 1 12 SER N N 17.549 13.609 -11.099 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 7 . 1725 . 1 1 12 SER O O 17.554 16.837 -12.567 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 7 . 1726 . 1 1 12 SER OG O 14.510 15.400 -12.143 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 7 . 1727 . 1 1 13 . C C 20.046 17.864 -10.849 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 7 . 1728 . 1 1 13 . CA C 18.819 17.451 -10.016 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 7 . 1729 . 1 1 13 . CB C 17.801 18.583 -9.945 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 7 . 1730 . 1 1 13 . CD1 C 17.013 18.613 -7.535 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1731 . 1 1 13 . CD2 C 15.443 17.936 -9.269 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1732 . 1 1 13 . CE1 C 16.027 18.391 -6.557 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1733 . 1 1 13 . CE2 C 14.459 17.712 -8.290 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1734 . 1 1 13 . CG C 16.724 18.385 -8.894 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 7 . 1735 . 1 1 13 . CZ C 14.750 17.940 -6.934 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 7 . 1736 . 1 1 13 . H H 18.068 15.481 -9.813 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 7 . 1737 . 1 1 13 . HA H 19.182 17.262 -9.004 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 7 . 1738 . 1 1 13 . HB2 H 17.340 18.714 -10.919 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1739 . 1 1 13 . HB3 H 18.363 19.481 -9.737 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1740 . 1 1 13 . HD1 H 17.996 18.953 -7.237 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1741 . 1 1 13 . HD2 H 15.214 17.753 -10.310 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1742 . 1 1 13 . HE1 H 16.254 18.562 -5.513 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1743 . 1 1 13 . HE2 H 13.478 17.360 -8.582 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1744 . 1 1 13 . HZ H 13.993 17.766 -6.180 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 7 . 1745 . 1 1 13 . N N 18.150 16.230 -10.474 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 7 . 1746 . 1 1 13 . O O 20.640 18.920 -10.618 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 7 . 1747 . 1 1 14 TRP C C 21.137 17.760 -14.076 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 7 . 1748 . 1 1 14 TRP CA C 21.564 17.214 -12.702 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 7 . 1749 . 1 1 14 TRP CB C 22.269 15.859 -12.823 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 7 . 1750 . 1 1 14 TRP CD1 C 22.344 14.955 -10.435 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1751 . 1 1 14 TRP CD2 C 24.376 15.292 -11.302 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 7 . 1752 . 1 1 14 TRP CE2 C 24.574 14.787 -9.983 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 7 . 1753 . 1 1 14 TRP CE3 C 25.525 15.608 -12.051 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 7 . 1754 . 1 1 14 TRP CG C 22.946 15.375 -11.571 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 7 . 1755 . 1 1 14 TRP CH2 C 26.982 14.913 -10.219 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 7 . 1756 . 1 1 14 TRP CZ2 C 25.855 14.595 -9.441 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 7 . 1757 . 1 1 14 TRP CZ3 C 26.816 15.421 -11.521 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 7 . 1758 . 1 1 14 TRP H H 19.908 16.183 -11.916 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 7 . 1759 . 1 1 14 TRP HA H 22.256 17.933 -12.266 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 7 . 1760 . 1 1 14 TRP HB2 H 21.551 15.106 -13.159 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 7 . 1761 . 1 1 14 TRP HB3 H 23.031 15.953 -13.595 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 7 . 1762 . 1 1 14 TRP HD1 H 21.275 14.911 -10.276 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 7 . 1763 . 1 1 14 TRP HE1 H 23.061 14.258 -8.574 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1764 . 1 1 14 TRP HE3 H 25.392 16.007 -13.047 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 7 . 1765 . 1 1 14 TRP HH2 H 27.976 14.772 -9.815 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 7 . 1766 . 1 1 14 TRP HZ2 H 25.973 14.211 -8.437 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 7 . 1767 . 1 1 14 TRP HZ3 H 27.684 15.671 -12.116 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 7 . 1768 . 1 1 14 TRP N N 20.436 17.030 -11.806 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 7 . 1769 . 1 1 14 TRP NE1 N 23.296 14.597 -9.501 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 7 . 1770 . 1 1 14 TRP O O 21.993 17.955 -14.945 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 7 . 1771 . 1 1 15 THR C C 19.838 20.039 -15.657 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 7 . 1772 . 1 1 15 THR CA C 19.321 18.597 -15.516 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 7 . 1773 . 1 1 15 THR CB C 17.782 18.490 -15.583 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 7 . 1774 . 1 1 15 THR CG2 C 17.344 17.074 -15.985 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 7 . 1775 . 1 1 15 THR H H 19.189 17.824 -13.535 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 7 . 1776 . 1 1 15 THR HA H 19.725 18.035 -16.359 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 7 . 1777 . 1 1 15 THR HB H 17.433 19.174 -16.359 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 7 . 1778 . 1 1 15 THR HG1 H 17.239 18.094 -13.738 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 7 . 1779 . 1 1 15 THR HG21 H 17.715 16.337 -15.272 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 7 . 1780 . 1 1 15 THR HG22 H 17.737 16.836 -16.974 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 7 . 1781 . 1 1 15 THR HG23 H 16.255 17.020 -16.026 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 7 . 1782 . 1 1 15 THR N N 19.838 17.985 -14.293 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 7 . 1783 . 1 1 15 THR O O 20.074 20.474 -16.808 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 7 . 1784 . 1 1 15 THR OXT O 20.044 20.731 -14.630 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 7 . 1785 . 1 1 15 THR OG1 O 17.141 18.840 -14.365 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 8 . 1786 . 1 1 1 ASP C C 1.261 0.214 -2.367 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 8 . 1787 . 1 1 1 ASP CA C 2.166 -0.169 -1.202 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 8 . 1788 . 1 1 1 ASP CB C 3.546 0.491 -1.350 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 8 . 1789 . 1 1 1 ASP CG C 4.367 0.342 -0.064 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 8 . 1790 . 1 1 1 ASP H1 H 2.579 -2.021 -1.977 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 8 . 1791 . 1 1 1 ASP H2 H 1.362 -2.036 -0.887 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 8 . 1792 . 1 1 1 ASP H3 H 2.925 -1.890 -0.372 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 8 . 1793 . 1 1 1 ASP HA H 1.720 0.207 -0.280 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 8 . 1794 . 1 1 1 ASP HB2 H 4.087 0.039 -2.185 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1795 . 1 1 1 ASP HB3 H 3.414 1.553 -1.571 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1796 . 1 1 1 ASP N N 2.266 -1.643 -1.097 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 8 . 1797 . 1 1 1 ASP O O 1.110 -0.553 -3.323 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 8 . 1798 . 1 1 1 ASP OD1 O 4.551 -0.811 0.394 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1799 . 1 1 1 ASP OD2 O 4.819 1.368 0.497 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1800 . 1 1 2 TRP C C 0.791 2.382 -4.516 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 8 . 1801 . 1 1 2 TRP CA C -0.157 1.942 -3.396 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 8 . 1802 . 1 1 2 TRP CB C -1.048 3.078 -2.873 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 8 . 1803 . 1 1 2 TRP CD1 C -3.431 2.926 -3.717 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1804 . 1 1 2 TRP CD2 C -2.223 4.431 -4.856 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1805 . 1 1 2 TRP CE2 C -3.540 4.453 -5.408 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1806 . 1 1 2 TRP CE3 C -1.274 5.306 -5.427 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 8 . 1807 . 1 1 2 TRP CG C -2.187 3.453 -3.771 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 8 . 1808 . 1 1 2 TRP CH2 C -2.932 6.170 -7.001 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 8 . 1809 . 1 1 2 TRP CZ2 C -3.896 5.308 -6.462 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 8 . 1810 . 1 1 2 TRP CZ3 C -1.623 6.169 -6.486 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 8 . 1811 . 1 1 2 TRP H H 0.849 2.024 -1.536 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 8 . 1812 . 1 1 2 TRP HA H -0.813 1.154 -3.768 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 8 . 1813 . 1 1 2 TRP HB2 H -1.474 2.772 -1.915 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1814 . 1 1 2 TRP HB3 H -0.438 3.963 -2.687 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1815 . 1 1 2 TRP HD1 H -3.756 2.164 -3.018 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1816 . 1 1 2 TRP HE1 H -5.207 3.263 -4.805 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1817 . 1 1 2 TRP HE3 H -0.264 5.303 -5.044 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 8 . 1818 . 1 1 2 TRP HH2 H -3.206 6.829 -7.812 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 8 . 1819 . 1 1 2 TRP HZ2 H -4.898 5.310 -6.864 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 8 . 1820 . 1 1 2 TRP HZ3 H -0.883 6.833 -6.908 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 8 . 1821 . 1 1 2 TRP N N 0.658 1.407 -2.312 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 8 . 1822 . 1 1 2 TRP NE1 N -4.231 3.509 -4.678 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1823 . 1 1 2 TRP O O 1.569 3.324 -4.339 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 8 . 1824 . 1 1 3 GLU C C 1.258 3.132 -7.518 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 8 . 1825 . 1 1 3 GLU CA C 1.675 1.870 -6.754 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 8 . 1826 . 1 1 3 GLU CB C 1.703 0.617 -7.639 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 8 . 1827 . 1 1 3 GLU CD C 4.194 0.705 -8.207 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 8 . 1828 . 1 1 3 GLU CG C 2.758 0.653 -8.754 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 8 . 1829 . 1 1 3 GLU H H 0.110 0.897 -5.699 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 8 . 1830 . 1 1 3 GLU HA H 2.673 2.004 -6.352 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 8 . 1831 . 1 1 3 GLU HB2 H 1.892 -0.257 -7.013 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1832 . 1 1 3 GLU HB3 H 0.722 0.505 -8.088 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1833 . 1 1 3 GLU HG2 H 2.640 -0.244 -9.366 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 8 . 1834 . 1 1 3 GLU HG3 H 2.575 1.510 -9.402 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 8 . 1835 . 1 1 3 GLU N N 0.764 1.662 -5.637 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 8 . 1836 . 1 1 3 GLU O O 0.077 3.319 -7.826 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 8 . 1837 . 1 1 3 GLU OE1 O 4.784 -0.370 -7.942 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1838 . 1 1 3 GLU OE2 O 4.747 1.820 -8.050 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1839 . 1 1 4 TYR C C 1.944 5.028 -10.056 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 8 . 1840 . 1 1 4 TYR CA C 2.006 5.253 -8.538 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 8 . 1841 . 1 1 4 TYR CB C 3.079 6.285 -8.154 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 8 . 1842 . 1 1 4 TYR CD1 C 1.714 7.939 -6.802 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1843 . 1 1 4 TYR CD2 C 2.864 8.732 -8.794 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1844 . 1 1 4 TYR CE1 C 1.191 9.226 -6.584 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1845 . 1 1 4 TYR CE2 C 2.350 10.024 -8.585 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1846 . 1 1 4 TYR CG C 2.541 7.684 -7.912 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 8 . 1847 . 1 1 4 TYR CZ C 1.505 10.277 -7.479 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 8 . 1848 . 1 1 4 TYR H H 3.182 3.754 -7.596 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 8 . 1849 . 1 1 4 TYR HA H 1.051 5.671 -8.236 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 8 . 1850 . 1 1 4 TYR HB2 H 3.601 5.967 -7.251 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1851 . 1 1 4 TYR HB3 H 3.794 6.325 -8.970 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1852 . 1 1 4 TYR HD1 H 1.475 7.140 -6.112 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1853 . 1 1 4 TYR HD2 H 3.522 8.554 -9.629 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1854 . 1 1 4 TYR HE1 H 0.552 9.406 -5.730 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1855 . 1 1 4 TYR HE2 H 2.607 10.824 -9.266 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1856 . 1 1 4 TYR HH H 0.441 11.604 -6.497 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 8 . 1857 . 1 1 4 TYR N N 2.227 4.000 -7.819 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 8 . 1858 . 1 1 4 TYR O O 2.141 3.913 -10.549 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 8 . 1859 . 1 1 4 TYR OH O 1.007 11.531 -7.281 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 8 . 1860 . 1 1 5 HIS C C 2.859 6.983 -12.724 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 8 . 1861 . 1 1 5 HIS CA C 1.663 6.150 -12.243 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 8 . 1862 . 1 1 5 HIS CB C 0.309 6.720 -12.726 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 8 . 1863 . 1 1 5 HIS CD2 C -1.014 4.721 -13.634 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1864 . 1 1 5 HIS CE1 C -1.003 5.192 -15.799 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1865 . 1 1 5 HIS CG C -0.326 5.891 -13.816 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 8 . 1866 . 1 1 5 HIS H H 1.643 6.995 -10.293 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 8 . 1867 . 1 1 5 HIS HA H 1.767 5.139 -12.636 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 8 . 1868 . 1 1 5 HIS HB2 H -0.382 6.778 -11.886 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1869 . 1 1 5 HIS HB3 H 0.420 7.739 -13.097 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1870 . 1 1 5 HIS HD1 H 0.090 6.981 -15.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1871 . 1 1 5 HIS HD2 H -1.204 4.220 -12.692 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1872 . 1 1 5 HIS HE1 H -1.181 5.135 -16.866 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1873 . 1 1 5 HIS HE2 H -1.968 3.459 -15.084 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1874 . 1 1 5 HIS N N 1.700 6.116 -10.786 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 8 . 1875 . 1 1 5 HIS ND1 N -0.328 6.174 -15.172 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 8 . 1876 . 1 1 5 HIS NE2 N -1.429 4.297 -14.885 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1877 . 1 1 5 HIS O O 3.828 6.453 -13.272 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 8 . 1878 . 1 1 6 ALA C C 4.920 9.382 -11.850 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 8 . 1879 . 1 1 6 ALA CA C 3.811 9.280 -12.898 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 8 . 1880 . 1 1 6 ALA CB C 3.115 10.623 -13.164 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 8 . 1881 . 1 1 6 ALA H H 2.039 8.626 -11.915 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 8 . 1882 . 1 1 6 ALA HA H 4.268 8.931 -13.831 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 8 . 1883 . 1 1 6 ALA HB1 H 2.351 10.502 -13.932 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 8 . 1884 . 1 1 6 ALA HB2 H 2.656 10.998 -12.247 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1885 . 1 1 6 ALA HB3 H 3.851 11.350 -13.511 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1886 . 1 1 6 ALA N N 2.822 8.294 -12.458 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 8 . 1887 . 1 1 6 ALA O O 5.113 10.417 -11.208 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 8 . 1888 . 1 1 7 HIS C C 7.771 9.082 -10.753 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 8 . 1889 . 1 1 7 HIS CA C 6.635 8.040 -10.669 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 8 . 1890 . 1 1 7 HIS CB C 7.205 6.621 -10.832 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 8 . 1891 . 1 1 7 HIS CD2 C 8.547 6.579 -13.018 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1892 . 1 1 7 HIS CE1 C 7.162 5.430 -14.308 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1893 . 1 1 7 HIS CG C 7.473 6.198 -12.260 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 8 . 1894 . 1 1 7 HIS H H 5.296 7.442 -12.167 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 8 . 1895 . 1 1 7 HIS HA H 6.162 8.099 -9.692 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 8 . 1896 . 1 1 7 HIS HB2 H 8.145 6.582 -10.297 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1897 . 1 1 7 HIS HB3 H 6.552 5.919 -10.318 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1898 . 1 1 7 HIS HD1 H 5.721 5.080 -12.821 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1899 . 1 1 7 HIS HD2 H 9.378 7.198 -12.700 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1900 . 1 1 7 HIS HE1 H 6.692 4.992 -15.179 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1901 . 1 1 7 HIS HE2 H 8.950 6.218 -15.096 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1902 . 1 1 7 HIS N N 5.583 8.250 -11.640 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 8 . 1903 . 1 1 7 HIS ND1 N 6.625 5.464 -13.074 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 8 . 1904 . 1 1 7 HIS NE2 N 8.341 6.083 -14.294 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1905 . 1 1 7 HIS O O 8.027 9.646 -11.830 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 8 . 1906 . 1 1 8 PRO C C 10.838 9.664 -10.303 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 8 . 1907 . 1 1 8 PRO CA C 9.627 10.181 -9.523 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 8 . 1908 . 1 1 8 PRO CB C 9.919 10.278 -8.023 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 8 . 1909 . 1 1 8 PRO CD C 8.274 8.599 -8.358 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 8 . 1910 . 1 1 8 PRO CG C 9.458 8.938 -7.465 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 8 . 1911 . 1 1 8 PRO HA H 9.352 11.167 -9.902 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 8 . 1912 . 1 1 8 PRO HB2 H 10.973 10.412 -7.822 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1913 . 1 1 8 PRO HB3 H 9.331 11.089 -7.590 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1914 . 1 1 8 PRO HD2 H 8.204 7.519 -8.483 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1915 . 1 1 8 PRO HD3 H 7.360 8.979 -7.918 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 8 . 1916 . 1 1 8 PRO HG2 H 10.244 8.194 -7.599 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 8 . 1917 . 1 1 8 PRO HG3 H 9.169 9.011 -6.416 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 8 . 1918 . 1 1 8 PRO N N 8.495 9.276 -9.632 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 8 . 1919 . 1 1 8 PRO O O 10.935 8.482 -10.639 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 8 . 1920 . 1 1 9 LYS C C 14.192 10.295 -10.473 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 8 . 1921 . 1 1 9 LYS CA C 12.956 10.354 -11.396 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 8 . 1922 . 1 1 9 LYS CB C 13.055 11.504 -12.414 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 8 . 1923 . 1 1 9 LYS CD C 10.706 11.244 -13.440 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 8 . 1924 . 1 1 9 LYS CE C 9.894 11.194 -14.737 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 8 . 1925 . 1 1 9 LYS CG C 12.219 11.315 -13.697 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 8 . 1926 . 1 1 9 LYS H H 11.660 11.525 -10.257 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 8 . 1927 . 1 1 9 LYS HA H 12.870 9.406 -11.929 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 8 . 1928 . 1 1 9 LYS HB2 H 12.773 12.439 -11.932 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1929 . 1 1 9 LYS HB3 H 14.092 11.617 -12.699 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1930 . 1 1 9 LYS HD2 H 10.485 10.336 -12.882 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1931 . 1 1 9 LYS HD3 H 10.402 12.113 -12.853 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 8 . 1932 . 1 1 9 LYS HE2 H 10.120 12.076 -15.341 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1933 . 1 1 9 LYS HE3 H 10.187 10.306 -15.301 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 8 . 1934 . 1 1 9 LYS HG2 H 12.421 12.158 -14.359 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 8 . 1935 . 1 1 9 LYS HG3 H 12.541 10.402 -14.201 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 8 . 1936 . 1 1 9 LYS HZ1 H 8.124 12.012 -14.048 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 8 . 1937 . 1 1 9 LYS HZ2 H 8.226 10.400 -13.797 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 8 . 1938 . 1 1 9 LYS HZ3 H 7.916 10.987 -15.304 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 8 . 1939 . 1 1 9 LYS N N 11.762 10.581 -10.599 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 8 . 1940 . 1 1 9 LYS NZ N 8.439 11.143 -14.453 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 8 . 1941 . 1 1 9 LYS O O 14.127 10.792 -9.344 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 8 . 1942 . 1 1 10 HYP C C 17.317 10.776 -9.975 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 8 . 1943 . 1 1 10 HYP CA C 16.497 9.481 -10.096 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 8 . 1944 . 1 1 10 HYP CB C 17.226 8.303 -10.758 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 8 . 1945 . 1 1 10 HYP CD C 15.483 9.084 -12.232 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 8 . 1946 . 1 1 10 HYP CG C 16.878 8.457 -12.239 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 8 . 1947 . 1 1 10 HYP HA H 16.197 9.178 -9.091 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 8 . 1948 . 1 1 10 HYP HB2 H 18.303 8.317 -10.581 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1949 . 1 1 10 HYP HB3 H 16.809 7.374 -10.372 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1950 . 1 1 10 HYP HD1 H 16.272 6.625 -12.492 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1951 . 1 1 10 HYP HD22 H 14.713 8.325 -12.377 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 8 . 1952 . 1 1 10 HYP HD23 H 15.423 9.834 -13.023 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 8 . 1953 . 1 1 10 HYP HG H 17.577 9.154 -12.700 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 8 . 1954 . 1 1 10 HYP N N 15.314 9.701 -10.922 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 8 . 1955 . 1 1 10 HYP O O 16.977 11.652 -9.179 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 8 . 1956 . 1 1 10 HYP OD1 O 16.908 7.222 -12.927 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1957 . 1 1 11 ASN C C 18.823 13.312 -11.387 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 8 . 1958 . 1 1 11 ASN CA C 19.346 12.037 -10.708 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 8 . 1959 . 1 1 11 ASN CB C 20.699 11.590 -11.280 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 8 . 1960 . 1 1 11 ASN CG C 20.702 11.415 -12.805 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 8 . 1961 . 1 1 11 ASN H H 18.583 10.201 -11.435 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 8 . 1962 . 1 1 11 ASN HA H 19.504 12.277 -9.655 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 8 . 1963 . 1 1 11 ASN HB2 H 21.433 12.344 -11.000 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1964 . 1 1 11 ASN HB3 H 20.991 10.654 -10.808 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1965 . 1 1 11 ASN HD21 H 22.263 12.696 -13.040 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 8 . 1966 . 1 1 11 ASN HD22 H 21.620 11.995 -14.523 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 8 . 1967 . 1 1 11 ASN N N 18.385 10.929 -10.762 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 8 . 1968 . 1 1 11 ASN ND2 N 21.611 12.078 -13.512 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 8 . 1969 . 1 1 11 ASN O O 19.557 14.035 -12.060 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 8 . 1970 . 1 1 11 ASN OD1 O 19.888 10.677 -13.357 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1971 . 1 1 12 SER C C 17.443 16.069 -11.470 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 8 . 1972 . 1 1 12 SER CA C 16.850 14.706 -11.866 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 8 . 1973 . 1 1 12 SER CB C 15.353 14.587 -11.536 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 8 . 1974 . 1 1 12 SER H H 17.017 13.020 -10.573 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 8 . 1975 . 1 1 12 SER HA H 17.001 14.576 -12.929 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 8 . 1976 . 1 1 12 SER HB2 H 15.063 13.538 -11.600 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1977 . 1 1 12 SER HB3 H 15.185 14.920 -10.511 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1978 . 1 1 12 SER HG H 14.753 16.264 -12.377 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 8 . 1979 . 1 1 12 SER N N 17.541 13.606 -11.207 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 8 . 1980 . 1 1 12 SER O O 17.390 17.022 -12.250 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 8 . 1981 . 1 1 12 SER OG O 14.525 15.314 -12.431 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 8 . 1982 . 1 1 13 . C C 19.918 17.831 -10.466 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 8 . 1983 . 1 1 13 . CA C 18.706 17.300 -9.675 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 8 . 1984 . 1 1 13 . CB C 17.672 18.392 -9.423 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 8 . 1985 . 1 1 13 . CD1 C 15.445 17.502 -8.594 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1986 . 1 1 13 . CD2 C 17.043 18.359 -6.967 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1987 . 1 1 13 . CE1 C 14.551 17.195 -7.552 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1988 . 1 1 13 . CE2 C 16.146 18.055 -5.927 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1989 . 1 1 13 . CG C 16.695 18.084 -8.304 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 8 . 1990 . 1 1 13 . CZ C 14.900 17.472 -6.219 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 8 . 1991 . 1 1 13 . H H 18.033 15.296 -9.733 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 8 . 1992 . 1 1 13 . HA H 19.094 16.984 -8.705 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 8 . 1993 . 1 1 13 . HB2 H 17.126 18.605 -10.338 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 1994 . 1 1 13 . HB3 H 18.237 19.278 -9.180 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 1995 . 1 1 13 . HD1 H 15.169 17.288 -9.616 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 1996 . 1 1 13 . HD2 H 18.001 18.802 -6.735 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 8 . 1997 . 1 1 13 . HE1 H 13.594 16.744 -7.778 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 1998 . 1 1 13 . HE2 H 16.418 18.267 -4.902 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 8 . 1999 . 1 1 13 . HZ H 14.212 17.236 -5.418 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 8 . 2000 . 1 1 13 . N N 18.058 16.135 -10.282 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 8 . 2001 . 1 1 13 . O O 20.455 18.902 -10.170 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 8 . 2002 . 1 1 14 TRP C C 21.199 17.783 -13.683 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 8 . 2003 . 1 1 14 TRP CA C 21.546 17.307 -12.266 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 8 . 2004 . 1 1 14 TRP CB C 22.336 15.995 -12.310 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 8 . 2005 . 1 1 14 TRP CD1 C 22.149 14.939 -9.994 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 8 . 2006 . 1 1 14 TRP CD2 C 24.243 15.534 -10.509 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 8 . 2007 . 1 1 14 TRP CE2 C 24.290 14.954 -9.207 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 8 . 2008 . 1 1 14 TRP CE3 C 25.458 16.005 -11.048 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 8 . 2009 . 1 1 14 TRP CG C 22.867 15.502 -10.993 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 8 . 2010 . 1 1 14 TRP CH2 C 26.682 15.309 -9.052 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 8 . 2011 . 1 1 14 TRP CZ2 C 25.487 14.837 -8.482 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 8 . 2012 . 1 1 14 TRP CZ3 C 26.665 15.894 -10.332 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 8 . 2013 . 1 1 14 TRP H H 19.881 16.206 -11.614 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 8 . 2014 . 1 1 14 TRP HA H 22.149 18.080 -11.801 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 8 . 2015 . 1 1 14 TRP HB2 H 21.710 15.216 -12.754 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 8 . 2016 . 1 1 14 TRP HB3 H 23.182 16.153 -12.974 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 8 . 2017 . 1 1 14 TRP HD1 H 21.080 14.777 -10.011 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 8 . 2018 . 1 1 14 TRP HE1 H 22.647 14.177 -8.089 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 8 . 2019 . 1 1 14 TRP HE3 H 25.445 16.460 -12.028 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 8 . 2020 . 1 1 14 TRP HH2 H 27.613 15.226 -8.506 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 8 . 2021 . 1 1 14 TRP HZ2 H 25.490 14.390 -7.497 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 8 . 2022 . 1 1 14 TRP HZ3 H 27.585 16.262 -10.768 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 8 . 2023 . 1 1 14 TRP N N 20.365 17.068 -11.455 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 8 . 2024 . 1 1 14 TRP NE1 N 22.981 14.610 -8.943 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 8 . 2025 . 1 1 14 TRP O O 22.101 18.154 -14.441 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 8 . 2026 . 1 1 15 THR C C 19.507 19.754 -15.369 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 8 . 2027 . 1 1 15 THR CA C 19.430 18.220 -15.343 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 8 . 2028 . 1 1 15 THR CB C 18.011 17.671 -15.587 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 8 . 2029 . 1 1 15 THR CG2 C 17.529 17.952 -17.016 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 8 . 2030 . 1 1 15 THR H H 19.233 17.491 -13.358 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 8 . 2031 . 1 1 15 THR HA H 20.089 17.825 -16.117 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 8 . 2032 . 1 1 15 THR HB H 17.322 18.140 -14.883 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 8 . 2033 . 1 1 15 THR HG1 H 17.066 15.968 -15.375 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 8 . 2034 . 1 1 15 THR HG21 H 17.479 19.028 -17.185 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 8 . 2035 . 1 1 15 THR HG22 H 16.531 17.536 -17.160 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 8 . 2036 . 1 1 15 THR HG23 H 18.214 17.509 -17.740 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 8 . 2037 . 1 1 15 THR N N 19.918 17.761 -14.049 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 8 . 2038 . 1 1 15 THR O O 19.042 20.406 -14.404 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 8 . 2039 . 1 1 15 THR OXT O 20.069 20.311 -16.340 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 8 . 2040 . 1 1 15 THR OG1 O 17.995 16.262 -15.381 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 9 . 2041 . 1 1 1 ASP C C -0.366 0.030 -1.742 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 9 . 2042 . 1 1 1 ASP CA C 0.340 -0.255 -0.419 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 9 . 2043 . 1 1 1 ASP CB C 1.697 -0.938 -0.664 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 9 . 2044 . 1 1 1 ASP CG C 2.530 -0.976 0.621 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 9 . 2045 . 1 1 1 ASP H1 H -0.809 -1.903 -0.016 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 9 . 2046 . 1 1 1 ASP H2 H -1.363 -0.541 0.696 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 9 . 2047 . 1 1 1 ASP H3 H -0.033 -1.305 1.309 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 9 . 2048 . 1 1 1 ASP HA H 0.538 0.697 0.076 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 9 . 2049 . 1 1 1 ASP HB2 H 1.540 -1.954 -1.032 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2050 . 1 1 1 ASP HB3 H 2.245 -0.384 -1.430 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2051 . 1 1 1 ASP N N -0.532 -1.061 0.465 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 9 . 2052 . 1 1 1 ASP O O -1.283 -0.699 -2.134 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 9 . 2053 . 1 1 1 ASP OD1 O 2.028 -1.506 1.642 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2054 . 1 1 1 ASP OD2 O 3.678 -0.472 0.623 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2055 . 1 1 2 TRP C C 0.663 2.131 -4.545 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 9 . 2056 . 1 1 2 TRP CA C -0.472 1.485 -3.747 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 9 . 2057 . 1 1 2 TRP CB C -1.675 2.416 -3.548 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 9 . 2058 . 1 1 2 TRP CD1 C -3.495 2.035 -5.281 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2059 . 1 1 2 TRP CD2 C -2.260 3.851 -5.707 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2060 . 1 1 2 TRP CE2 C -3.256 3.786 -6.726 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2061 . 1 1 2 TRP CE3 C -1.344 4.919 -5.765 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 9 . 2062 . 1 1 2 TRP CG C -2.448 2.735 -4.791 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 9 . 2063 . 1 1 2 TRP CH2 C -2.437 5.818 -7.755 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 9 . 2064 . 1 1 2 TRP CZ2 C -3.349 4.754 -7.739 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 9 . 2065 . 1 1 2 TRP CZ3 C -1.435 5.902 -6.770 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 9 . 2066 . 1 1 2 TRP H H 0.837 1.631 -2.099 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 9 . 2067 . 1 1 2 TRP HA H -0.823 0.613 -4.291 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 9 . 2068 . 1 1 2 TRP HB2 H -2.365 1.954 -2.840 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2069 . 1 1 2 TRP HB3 H -1.331 3.351 -3.102 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2070 . 1 1 2 TRP HD1 H -3.909 1.138 -4.836 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2071 . 1 1 2 TRP HE1 H -4.766 2.292 -6.947 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2072 . 1 1 2 TRP HE3 H -0.562 4.959 -5.019 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 9 . 2073 . 1 1 2 TRP HH2 H -2.512 6.566 -8.531 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 9 . 2074 . 1 1 2 TRP HZ2 H -4.112 4.693 -8.500 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 9 . 2075 . 1 1 2 TRP HZ3 H -0.733 6.723 -6.788 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 9 . 2076 . 1 1 2 TRP N N 0.062 1.081 -2.450 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 9 . 2077 . 1 1 2 TRP NE1 N -3.973 2.646 -6.423 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2078 . 1 1 2 TRP O O 1.323 3.050 -4.051 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 9 . 2079 . 1 1 3 GLU C C 1.601 3.247 -7.422 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 9 . 2080 . 1 1 3 GLU CA C 2.030 2.030 -6.598 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 9 . 2081 . 1 1 3 GLU CB C 2.461 0.849 -7.473 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 9 . 2082 . 1 1 3 GLU CD C 4.215 -0.136 -9.016 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 9 . 2083 . 1 1 3 GLU CG C 3.769 1.109 -8.232 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 9 . 2084 . 1 1 3 GLU H H 0.316 0.894 -6.113 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 9 . 2085 . 1 1 3 GLU HA H 2.877 2.290 -5.971 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 9 . 2086 . 1 1 3 GLU HB2 H 2.596 -0.026 -6.835 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2087 . 1 1 3 GLU HB3 H 1.667 0.639 -8.181 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2088 . 1 1 3 GLU HG2 H 3.631 1.941 -8.922 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 9 . 2089 . 1 1 3 GLU HG3 H 4.546 1.389 -7.518 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 9 . 2090 . 1 1 3 GLU N N 0.921 1.615 -5.749 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 9 . 2091 . 1 1 3 GLU O O 0.495 3.271 -7.971 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 9 . 2092 . 1 1 3 GLU OE1 O 3.762 -0.329 -10.170 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2093 . 1 1 3 GLU OE2 O 5.033 -0.928 -8.489 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2094 . 1 1 4 TYR C C 2.242 5.249 -9.774 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 9 . 2095 . 1 1 4 TYR CA C 2.204 5.484 -8.258 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 9 . 2096 . 1 1 4 TYR CB C 3.178 6.595 -7.842 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 9 . 2097 . 1 1 4 TYR CD1 C 1.659 8.162 -6.554 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2098 . 1 1 4 TYR CD2 C 2.813 9.014 -8.521 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2099 . 1 1 4 TYR CE1 C 1.044 9.413 -6.366 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2100 . 1 1 4 TYR CE2 C 2.205 10.269 -8.342 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2101 . 1 1 4 TYR CG C 2.534 7.955 -7.636 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 9 . 2102 . 1 1 4 TYR CZ C 1.313 10.474 -7.264 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 9 . 2103 . 1 1 4 TYR H H 3.377 4.173 -7.072 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 9 . 2104 . 1 1 4 TYR HA H 1.206 5.827 -8.006 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 9 . 2105 . 1 1 4 TYR HB2 H 3.688 6.322 -6.918 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2106 . 1 1 4 TYR HB3 H 3.913 6.681 -8.635 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2107 . 1 1 4 TYR HD1 H 1.455 7.357 -5.861 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2108 . 1 1 4 TYR HD2 H 3.510 8.875 -9.332 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2109 . 1 1 4 TYR HE1 H 0.369 9.559 -5.533 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2110 . 1 1 4 TYR HE2 H 2.428 11.079 -9.023 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2111 . 1 1 4 TYR HH H 0.135 11.736 -6.326 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 9 . 2112 . 1 1 4 TYR N N 2.473 4.256 -7.513 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 9 . 2113 . 1 1 4 TYR O O 2.628 4.179 -10.256 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 9 . 2114 . 1 1 4 TYR OH O 0.726 11.694 -7.094 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 9 . 2115 . 1 1 5 HIS C C 3.052 7.152 -12.446 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 9 . 2116 . 1 1 5 HIS CA C 1.854 6.319 -11.968 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 9 . 2117 . 1 1 5 HIS CB C 0.500 6.876 -12.466 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 9 . 2118 . 1 1 5 HIS CD2 C -0.843 4.857 -13.294 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2119 . 1 1 5 HIS CE1 C -0.824 5.237 -15.477 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2120 . 1 1 5 HIS CG C -0.141 6.010 -13.523 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 9 . 2121 . 1 1 5 HIS H H 1.724 7.163 -10.018 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 9 . 2122 . 1 1 5 HIS HA H 1.961 5.305 -12.349 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 9 . 2123 . 1 1 5 HIS HB2 H -0.189 6.963 -11.628 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2124 . 1 1 5 HIS HB3 H 0.615 7.881 -12.875 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2125 . 1 1 5 HIS HD1 H 0.290 7.020 -15.370 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2126 . 1 1 5 HIS HD2 H -1.041 4.397 -12.333 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2127 . 1 1 5 HIS HE1 H -0.999 5.138 -16.541 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2128 . 1 1 5 HIS HE2 H -1.809 3.547 -14.692 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2129 . 1 1 5 HIS N N 1.880 6.297 -10.512 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 9 . 2130 . 1 1 5 HIS ND1 N -0.138 6.237 -14.890 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 9 . 2131 . 1 1 5 HIS NE2 N -1.261 4.386 -14.527 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2132 . 1 1 5 HIS O O 4.024 6.620 -12.985 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 9 . 2133 . 1 1 6 ALA C C 5.111 9.521 -11.521 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 9 . 2134 . 1 1 6 ALA CA C 4.022 9.443 -12.593 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 9 . 2135 . 1 1 6 ALA CB C 3.346 10.796 -12.856 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 9 . 2136 . 1 1 6 ALA H H 2.227 8.802 -11.650 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 9 . 2137 . 1 1 6 ALA HA H 4.492 9.099 -13.521 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 9 . 2138 . 1 1 6 ALA HB1 H 2.596 10.692 -13.640 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 9 . 2139 . 1 1 6 ALA HB2 H 2.874 11.167 -11.945 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2140 . 1 1 6 ALA HB3 H 4.097 11.519 -13.181 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2141 . 1 1 6 ALA N N 3.015 8.464 -12.183 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 9 . 2142 . 1 1 6 ALA O O 5.302 10.546 -10.864 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 9 . 2143 . 1 1 7 HIS C C 7.956 9.196 -10.437 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 9 . 2144 . 1 1 7 HIS CA C 6.817 8.158 -10.349 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 9 . 2145 . 1 1 7 HIS CB C 7.380 6.739 -10.528 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 9 . 2146 . 1 1 7 HIS CD2 C 8.740 6.706 -12.704 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2147 . 1 1 7 HIS CE1 C 7.354 5.584 -14.018 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2148 . 1 1 7 HIS CG C 7.653 6.331 -11.960 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 9 . 2149 . 1 1 7 HIS H H 5.474 7.579 -11.850 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 9 . 2150 . 1 1 7 HIS HA H 6.350 8.213 -9.369 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 9 . 2151 . 1 1 7 HIS HB2 H 8.319 6.687 -9.992 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2152 . 1 1 7 HIS HB3 H 6.723 6.034 -10.025 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2153 . 1 1 7 HIS HD1 H 5.895 5.238 -12.549 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2154 . 1 1 7 HIS HD2 H 9.576 7.309 -12.372 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2155 . 1 1 7 HIS HE1 H 6.890 5.156 -14.897 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2156 . 1 1 7 HIS HE2 H 9.162 6.356 -14.779 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2157 . 1 1 7 HIS N N 5.761 8.380 -11.313 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 9 . 2158 . 1 1 7 HIS ND1 N 6.805 5.614 -12.790 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 9 . 2159 . 1 1 7 HIS NE2 N 8.541 6.223 -13.986 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2160 . 1 1 7 HIS O O 8.198 9.772 -11.510 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 9 . 2161 . 1 1 8 PRO C C 11.029 9.753 -10.049 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 9 . 2162 . 1 1 8 PRO CA C 9.843 10.265 -9.227 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 9 . 2163 . 1 1 8 PRO CB C 10.174 10.333 -7.735 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 9 . 2164 . 1 1 8 PRO CD C 8.490 8.689 -8.054 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 9 . 2165 . 1 1 8 PRO CG C 9.699 8.996 -7.183 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 9 . 2166 . 1 1 8 PRO HA H 9.567 11.260 -9.581 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 9 . 2167 . 1 1 8 PRO HB2 H 11.237 10.441 -7.558 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2168 . 1 1 8 PRO HB3 H 9.617 11.151 -7.276 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2169 . 1 1 8 PRO HD2 H 8.395 7.612 -8.184 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2170 . 1 1 8 PRO HD3 H 7.593 9.085 -7.591 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 9 . 2171 . 1 1 8 PRO HG2 H 10.467 8.238 -7.343 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 9 . 2172 . 1 1 8 PRO HG3 H 9.434 9.061 -6.127 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 9 . 2173 . 1 1 8 PRO N N 8.699 9.373 -9.325 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 9 . 2174 . 1 1 8 PRO O O 11.112 8.573 -10.397 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 9 . 2175 . 1 1 9 LYS C C 14.379 10.373 -10.347 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 9 . 2176 . 1 1 9 LYS CA C 13.106 10.446 -11.216 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 9 . 2177 . 1 1 9 LYS CB C 13.174 11.607 -12.224 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 9 . 2178 . 1 1 9 LYS CD C 10.792 11.373 -13.167 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 9 . 2179 . 1 1 9 LYS CE C 9.933 11.346 -14.434 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 9 . 2180 . 1 1 9 LYS CG C 12.294 11.436 -13.479 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 9 . 2181 . 1 1 9 LYS H H 11.859 11.611 -10.014 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 9 . 2182 . 1 1 9 LYS HA H 12.991 9.505 -11.755 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 9 . 2183 . 1 1 9 LYS HB2 H 12.914 12.536 -11.722 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2184 . 1 1 9 LYS HB3 H 14.202 11.720 -12.543 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2185 . 1 1 9 LYS HD2 H 10.586 10.460 -12.612 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2186 . 1 1 9 LYS HD3 H 10.516 12.237 -12.559 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 9 . 2187 . 1 1 9 LYS HE2 H 10.144 12.232 -15.036 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2188 . 1 1 9 LYS HE3 H 10.196 10.461 -15.018 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 9 . 2189 . 1 1 9 LYS HG2 H 12.478 12.285 -14.139 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 9 . 2190 . 1 1 9 LYS HG3 H 12.591 10.527 -14.003 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 9 . 2191 . 1 1 9 LYS HZ1 H 8.296 10.558 -13.437 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 9 . 2192 . 1 1 9 LYS HZ2 H 7.933 11.159 -14.928 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 9 . 2193 . 1 1 9 LYS HZ3 H 8.198 12.173 -13.672 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 9 . 2194 . 1 1 9 LYS N N 11.945 10.669 -10.368 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 9 . 2195 . 1 1 9 LYS NZ N 8.489 11.304 -14.096 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 9 . 2196 . 1 1 9 LYS O O 14.373 10.878 -9.220 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 9 . 2197 . 1 1 10 HYP C C 17.522 10.843 -10.026 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 9 . 2198 . 1 1 10 HYP CA C 16.695 9.549 -10.084 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 9 . 2199 . 1 1 10 HYP CB C 17.385 8.366 -10.776 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 9 . 2200 . 1 1 10 HYP CD C 15.570 9.144 -12.161 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 9 . 2201 . 1 1 10 HYP CG C 16.950 8.490 -12.238 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 9 . 2202 . 1 1 10 HYP HA H 16.450 9.257 -9.061 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 9 . 2203 . 1 1 10 HYP HB2 H 18.470 8.385 -10.662 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2204 . 1 1 10 HYP HB3 H 16.995 7.442 -10.355 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2205 . 1 1 10 HYP HD1 H 17.799 6.922 -13.007 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2206 . 1 1 10 HYP HD22 H 14.783 8.396 -12.265 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 9 . 2207 . 1 1 10 HYP HD23 H 15.482 9.893 -12.950 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 9 . 2208 . 1 1 10 HYP HG H 17.632 9.153 -12.769 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 9 . 2209 . 1 1 10 HYP N N 15.472 9.767 -10.847 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 9 . 2210 . 1 1 10 HYP O O 17.269 11.705 -9.185 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 9 . 2211 . 1 1 10 HYP OD1 O 16.883 7.232 -12.877 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2212 . 1 1 11 ASN C C 18.813 13.389 -11.617 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 9 . 2213 . 1 1 11 ASN CA C 19.434 12.135 -10.983 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 9 . 2214 . 1 1 11 ASN CB C 20.729 11.704 -11.691 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 9 . 2215 . 1 1 11 ASN CG C 20.584 11.526 -13.208 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 9 . 2216 . 1 1 11 ASN H H 18.618 10.287 -11.622 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 9 . 2217 . 1 1 11 ASN HA H 19.692 12.395 -9.955 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 9 . 2218 . 1 1 11 ASN HB2 H 21.476 12.470 -11.490 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2219 . 1 1 11 ASN HB3 H 21.085 10.774 -11.249 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2220 . 1 1 11 ASN HD21 H 22.230 12.658 -13.588 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 9 . 2221 . 1 1 11 ASN HD22 H 21.396 12.023 -15.004 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 9 . 2222 . 1 1 11 ASN N N 18.494 11.009 -10.926 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 9 . 2223 . 1 1 11 ASN ND2 N 21.483 12.106 -13.996 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 9 . 2224 . 1 1 11 ASN O O 19.444 14.102 -12.396 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 9 . 2225 . 1 1 11 ASN OD1 O 19.666 10.858 -13.682 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2226 . 1 1 12 SER C C 17.493 16.118 -11.604 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 9 . 2227 . 1 1 12 SER CA C 16.780 14.773 -11.817 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 9 . 2228 . 1 1 12 SER CB C 15.384 14.731 -11.174 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 9 . 2229 . 1 1 12 SER H H 17.141 13.090 -10.557 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 9 . 2230 . 1 1 12 SER HA H 16.695 14.609 -12.881 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 9 . 2231 . 1 1 12 SER HB2 H 15.025 13.701 -11.177 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2232 . 1 1 12 SER HB3 H 15.455 15.064 -10.137 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2233 . 1 1 12 SER HG H 13.576 15.462 -11.417 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 9 . 2234 . 1 1 12 SER N N 17.562 13.673 -11.267 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 9 . 2235 . 1 1 12 SER O O 17.487 16.985 -12.483 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 9 . 2236 . 1 1 12 SER OG O 14.440 15.527 -11.871 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 9 . 2237 . 1 1 13 . C C 20.074 17.883 -10.805 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 9 . 2238 . 1 1 13 . CA C 18.880 17.418 -9.952 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 9 . 2239 . 1 1 13 . CB C 17.873 18.542 -9.749 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 9 . 2240 . 1 1 13 . CD1 C 17.191 18.298 -7.320 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2241 . 1 1 13 . CD2 C 15.537 17.845 -9.049 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2242 . 1 1 13 . CE1 C 16.252 17.951 -6.332 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2243 . 1 1 13 . CE2 C 14.600 17.496 -8.061 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2244 . 1 1 13 . CG C 16.837 18.244 -8.681 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 9 . 2245 . 1 1 13 . CZ C 14.956 17.550 -6.702 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 9 . 2246 . 1 1 13 . H H 18.123 15.443 -9.852 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 9 . 2247 . 1 1 13 . HA H 19.288 17.153 -8.975 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 9 . 2248 . 1 1 13 . HB2 H 17.377 18.753 -10.692 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2249 . 1 1 13 . HB3 H 18.447 19.418 -9.485 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2250 . 1 1 13 . HD1 H 18.191 18.593 -7.029 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2251 . 1 1 13 . HD2 H 15.260 17.789 -10.093 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2252 . 1 1 13 . HE1 H 16.533 17.981 -5.288 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2253 . 1 1 13 . HE2 H 13.608 17.176 -8.349 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2254 . 1 1 13 . HZ H 14.236 17.277 -5.942 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 9 . 2255 . 1 1 13 . N N 18.183 16.235 -10.465 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 9 . 2256 . 1 1 13 . O O 20.674 18.927 -10.540 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 9 . 2257 . 1 1 14 TRP C C 21.142 17.705 -14.109 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 9 . 2258 . 1 1 14 TRP CA C 21.566 17.275 -12.695 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 9 . 2259 . 1 1 14 TRP CB C 22.319 15.941 -12.723 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 9 . 2260 . 1 1 14 TRP CD1 C 22.230 14.953 -10.375 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2261 . 1 1 14 TRP CD2 C 24.292 15.587 -10.968 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 9 . 2262 . 1 1 14 TRP CE2 C 24.390 15.050 -9.649 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 9 . 2263 . 1 1 14 TRP CE3 C 25.478 16.076 -11.553 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 9 . 2264 . 1 1 14 TRP CG C 22.905 15.500 -11.411 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 9 . 2265 . 1 1 14 TRP CH2 C 26.774 15.480 -9.569 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 9 . 2266 . 1 1 14 TRP CZ2 C 25.608 14.991 -8.953 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 9 . 2267 . 1 1 14 TRP CZ3 C 26.706 16.023 -10.866 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 9 . 2268 . 1 1 14 TRP H H 19.885 16.265 -11.947 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 9 . 2269 . 1 1 14 TRP HA H 22.220 18.048 -12.295 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 9 . 2270 . 1 1 14 TRP HB2 H 21.653 15.160 -13.097 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 9 . 2271 . 1 1 14 TRP HB3 H 23.133 16.047 -13.434 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 9 . 2272 . 1 1 14 TRP HD1 H 21.165 14.766 -10.356 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 9 . 2273 . 1 1 14 TRP HE1 H 22.801 14.265 -8.461 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2274 . 1 1 14 TRP HE3 H 25.429 16.500 -12.546 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 9 . 2275 . 1 1 14 TRP HH2 H 27.720 15.442 -9.046 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 9 . 2276 . 1 1 14 TRP HZ2 H 25.650 14.578 -7.955 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 9 . 2277 . 1 1 14 TRP HZ3 H 27.603 16.403 -11.337 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 9 . 2278 . 1 1 14 TRP N N 20.428 17.097 -11.813 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 9 . 2279 . 1 1 14 TRP NE1 N 23.099 14.678 -9.338 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 9 . 2280 . 1 1 14 TRP O O 22.005 17.905 -14.969 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 9 . 2281 . 1 1 15 THR C C 19.682 19.741 -15.859 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 9 . 2282 . 1 1 15 THR CA C 19.298 18.267 -15.648 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 9 . 2283 . 1 1 15 THR CB C 17.775 18.032 -15.699 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 9 . 2284 . 1 1 15 THR CG2 C 17.228 18.174 -17.125 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 9 . 2285 . 1 1 15 THR H H 19.186 17.682 -13.605 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 9 . 2286 . 1 1 15 THR HA H 19.765 17.671 -16.433 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 9 . 2287 . 1 1 15 THR HB H 17.277 18.762 -15.058 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 9 . 2288 . 1 1 15 THR HG1 H 17.407 16.775 -14.263 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 9 . 2289 . 1 1 15 THR HG21 H 16.154 17.987 -17.129 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 9 . 2290 . 1 1 15 THR HG22 H 17.720 17.463 -17.790 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 9 . 2291 . 1 1 15 THR HG23 H 17.403 19.186 -17.491 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 9 . 2292 . 1 1 15 THR N N 19.837 17.826 -14.365 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 9 . 2293 . 1 1 15 THR O O 19.503 20.555 -14.922 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 9 . 2294 . 1 1 15 THR OXT O 20.194 20.080 -16.950 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 9 . 2295 . 1 1 15 THR OG1 O 17.446 16.730 -15.239 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 10 . 2296 . 1 1 1 ASP C C -0.997 -1.103 -2.496 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 10 . 2297 . 1 1 1 ASP CA C -0.306 -1.889 -1.380 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 10 . 2298 . 1 1 1 ASP CB C 1.020 -2.472 -1.893 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 10 . 2299 . 1 1 1 ASP CG C 0.804 -3.262 -3.191 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 10 . 2300 . 1 1 1 ASP H1 H -1.402 -3.606 -1.592 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 10 . 2301 . 1 1 1 ASP H2 H -2.072 -2.533 -0.555 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 10 . 2302 . 1 1 1 ASP H3 H -0.773 -3.425 -0.082 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 10 . 2303 . 1 1 1 ASP HA H -0.082 -1.201 -0.565 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 10 . 2304 . 1 1 1 ASP HB2 H 1.724 -1.656 -2.069 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2305 . 1 1 1 ASP HB3 H 1.455 -3.123 -1.131 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2306 . 1 1 1 ASP N N -1.203 -2.944 -0.856 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 10 . 2307 . 1 1 1 ASP O O -2.010 -1.545 -3.048 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 10 . 2308 . 1 1 1 ASP OD1 O 0.140 -4.323 -3.133 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2309 . 1 1 1 ASP OD2 O 1.288 -2.824 -4.261 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2310 . 1 1 2 TRP C C 0.259 1.744 -4.423 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 10 . 2311 . 1 1 2 TRP CA C -0.934 0.927 -3.919 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 10 . 2312 . 1 1 2 TRP CB C -2.092 1.806 -3.419 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 10 . 2313 . 1 1 2 TRP CD1 C -3.976 2.044 -5.100 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2314 . 1 1 2 TRP CD2 C -2.624 3.830 -5.076 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2315 . 1 1 2 TRP CE2 C -3.650 4.102 -6.031 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2316 . 1 1 2 TRP CE3 C -1.642 4.825 -4.886 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 10 . 2317 . 1 1 2 TRP CG C -2.866 2.515 -4.488 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 10 . 2318 . 1 1 2 TRP CH2 C -2.718 6.280 -6.526 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 10 . 2319 . 1 1 2 TRP CZ2 C -3.702 5.307 -6.748 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 10 . 2320 . 1 1 2 TRP CZ3 C -1.689 6.039 -5.598 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 10 . 2321 . 1 1 2 TRP H H 0.384 0.383 -2.364 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 10 . 2322 . 1 1 2 TRP HA H -1.312 0.311 -4.733 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 10 . 2323 . 1 1 2 TRP HB2 H -2.796 1.182 -2.868 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2324 . 1 1 2 TRP HB3 H -1.705 2.548 -2.718 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2325 . 1 1 2 TRP HD1 H -4.442 1.087 -4.896 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2326 . 1 1 2 TRP HE1 H -5.273 2.824 -6.571 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2327 . 1 1 2 TRP HE3 H -0.845 4.638 -4.182 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 10 . 2328 . 1 1 2 TRP HH2 H -2.760 7.210 -7.075 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 10 . 2329 . 1 1 2 TRP HZ2 H -4.489 5.497 -7.463 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 10 . 2330 . 1 1 2 TRP HZ3 H -0.933 6.792 -5.428 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 10 . 2331 . 1 1 2 TRP N N -0.452 0.069 -2.841 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 10 . 2332 . 1 1 2 TRP NE1 N -4.441 2.972 -6.010 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2333 . 1 1 2 TRP O O 0.813 2.555 -3.675 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 10 . 2334 . 1 1 3 GLU C C 1.363 3.401 -7.024 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 10 . 2335 . 1 1 3 GLU CA C 1.826 2.137 -6.289 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 10 . 2336 . 1 1 3 GLU CB C 2.510 1.128 -7.219 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 10 . 2337 . 1 1 3 GLU CD C 4.867 2.014 -6.742 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 10 . 2338 . 1 1 3 GLU CG C 3.852 1.582 -7.813 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 10 . 2339 . 1 1 3 GLU H H 0.196 0.806 -6.220 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 10 . 2340 . 1 1 3 GLU HA H 2.539 2.410 -5.519 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 10 . 2341 . 1 1 3 GLU HB2 H 2.667 0.204 -6.661 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2342 . 1 1 3 GLU HB3 H 1.827 0.910 -8.033 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2343 . 1 1 3 GLU HG2 H 4.268 0.758 -8.395 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 10 . 2344 . 1 1 3 GLU HG3 H 3.680 2.406 -8.505 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 10 . 2345 . 1 1 3 GLU N N 0.685 1.488 -5.660 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 10 . 2346 . 1 1 3 GLU O O 0.220 3.477 -7.487 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 10 . 2347 . 1 1 3 GLU OE1 O 5.605 1.147 -6.214 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2348 . 1 1 3 GLU OE2 O 4.936 3.227 -6.432 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2349 . 1 1 4 TYR C C 1.995 5.374 -9.401 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 10 . 2350 . 1 1 4 TYR CA C 1.991 5.621 -7.885 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 10 . 2351 . 1 1 4 TYR CB C 2.994 6.717 -7.496 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 10 . 2352 . 1 1 4 TYR CD1 C 1.492 8.319 -6.232 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2353 . 1 1 4 TYR CD2 C 2.682 9.141 -8.190 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2354 . 1 1 4 TYR CE1 C 0.893 9.580 -6.060 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2355 . 1 1 4 TYR CE2 C 2.090 10.405 -8.026 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2356 . 1 1 4 TYR CG C 2.377 8.091 -7.303 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 10 . 2357 . 1 1 4 TYR CZ C 1.187 10.630 -6.961 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 10 . 2358 . 1 1 4 TYR H H 3.198 4.238 -6.802 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 10 . 2359 . 1 1 4 TYR HA H 1.005 5.985 -7.617 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 10 . 2360 . 1 1 4 TYR HB2 H 3.509 6.445 -6.575 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2361 . 1 1 4 TYR HB3 H 3.720 6.780 -8.299 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2362 . 1 1 4 TYR HD1 H 1.274 7.522 -5.535 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2363 . 1 1 4 TYR HD2 H 3.387 8.987 -8.992 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2364 . 1 1 4 TYR HE1 H 0.211 9.740 -5.235 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2365 . 1 1 4 TYR HE2 H 2.332 11.207 -8.711 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2366 . 1 1 4 TYR HH H 0.014 11.914 -6.048 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 10 . 2367 . 1 1 4 TYR N N 2.252 4.389 -7.144 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 10 . 2368 . 1 1 4 TYR O O 2.331 4.286 -9.880 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 10 . 2369 . 1 1 4 TYR OH O 0.614 11.859 -6.807 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 10 . 2370 . 1 1 5 HIS C C 2.896 7.196 -12.074 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 10 . 2371 . 1 1 5 HIS CA C 1.648 6.437 -11.601 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 10 . 2372 . 1 1 5 HIS CB C 0.335 7.067 -12.120 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 10 . 2373 . 1 1 5 HIS CD2 C -1.122 5.127 -12.947 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2374 . 1 1 5 HIS CE1 C -1.030 5.468 -15.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2375 . 1 1 5 HIS CG C -0.342 6.228 -13.177 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 10 . 2376 . 1 1 5 HIS H H 1.531 7.301 -9.659 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 10 . 2377 . 1 1 5 HIS HA H 1.700 5.415 -11.973 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 10 . 2378 . 1 1 5 HIS HB2 H -0.357 7.203 -11.290 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2379 . 1 1 5 HIS HB3 H 0.513 8.058 -12.538 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2380 . 1 1 5 HIS HD1 H 0.194 7.175 -15.030 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2381 . 1 1 5 HIS HD2 H -1.369 4.696 -11.983 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2382 . 1 1 5 HIS HE1 H -1.189 5.361 -16.200 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2383 . 1 1 5 HIS HE2 H -2.140 3.857 -14.346 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2384 . 1 1 5 HIS N N 1.660 6.426 -10.145 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 10 . 2385 . 1 1 5 HIS ND1 N -0.294 6.431 -14.547 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 10 . 2386 . 1 1 5 HIS NE2 N -1.543 4.663 -14.181 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2387 . 1 1 5 HIS O O 3.836 6.607 -12.612 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 10 . 2388 . 1 1 6 ALA C C 5.069 9.498 -11.175 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 10 . 2389 . 1 1 6 ALA CA C 3.981 9.429 -12.249 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 10 . 2390 . 1 1 6 ALA CB C 3.363 10.799 -12.561 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 10 . 2391 . 1 1 6 ALA H H 2.169 8.890 -11.277 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 10 . 2392 . 1 1 6 ALA HA H 4.439 9.037 -13.164 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 10 . 2393 . 1 1 6 ALA HB1 H 2.903 11.219 -11.665 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 10 . 2394 . 1 1 6 ALA HB2 H 4.146 11.478 -12.905 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2395 . 1 1 6 ALA HB3 H 2.613 10.700 -13.346 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2396 . 1 1 6 ALA N N 2.933 8.507 -11.814 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 10 . 2397 . 1 1 6 ALA O O 5.297 10.537 -10.550 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 10 . 2398 . 1 1 7 HIS C C 7.934 9.124 -10.202 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 10 . 2399 . 1 1 7 HIS CA C 6.763 8.141 -9.989 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 10 . 2400 . 1 1 7 HIS CB C 7.264 6.691 -10.078 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 10 . 2401 . 1 1 7 HIS CD2 C 8.536 6.411 -12.288 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2402 . 1 1 7 HIS CE1 C 7.035 5.288 -13.466 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2403 . 1 1 7 HIS CG C 7.458 6.160 -11.481 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 10 . 2404 . 1 1 7 HIS H H 5.365 7.531 -11.426 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 10 . 2405 . 1 1 7 HIS HA H 6.338 8.288 -9.000 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 10 . 2406 . 1 1 7 HIS HB2 H 8.224 6.643 -9.581 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2407 . 1 1 7 HIS HB3 H 6.606 6.057 -9.489 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2408 . 1 1 7 HIS HD1 H 5.622 5.127 -11.922 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2409 . 1 1 7 HIS HD2 H 9.419 6.986 -12.032 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2410 . 1 1 7 HIS HE1 H 6.508 4.835 -14.295 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2411 . 1 1 7 HIS HE2 H 8.848 5.901 -14.349 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2412 . 1 1 7 HIS N N 5.678 8.342 -10.924 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 10 . 2413 . 1 1 7 HIS ND1 N 6.540 5.436 -12.223 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 10 . 2414 . 1 1 7 HIS NE2 N 8.257 5.854 -13.523 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2415 . 1 1 7 HIS O O 8.148 9.613 -11.321 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 10 . 2416 . 1 1 8 PRO C C 11.028 9.675 -10.009 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 10 . 2417 . 1 1 8 PRO CA C 9.885 10.244 -9.164 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 10 . 2418 . 1 1 8 PRO CB C 10.290 10.409 -7.697 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 10 . 2419 . 1 1 8 PRO CD C 8.565 8.781 -7.815 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 10 . 2420 . 1 1 8 PRO CG C 9.820 9.123 -7.027 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 10 . 2421 . 1 1 8 PRO HA H 9.601 11.218 -9.570 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 10 . 2422 . 1 1 8 PRO HB2 H 11.362 10.507 -7.581 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2423 . 1 1 8 PRO HB3 H 9.770 11.267 -7.270 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2424 . 1 1 8 PRO HD2 H 8.439 7.699 -7.859 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2425 . 1 1 8 PRO HD3 H 7.699 9.234 -7.345 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 10 . 2426 . 1 1 8 PRO HG2 H 10.567 8.340 -7.169 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 10 . 2427 . 1 1 8 PRO HG3 H 9.609 9.269 -5.968 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 10 . 2428 . 1 1 8 PRO N N 8.732 9.360 -9.142 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 10 . 2429 . 1 1 8 PRO O O 11.129 8.468 -10.238 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 10 . 2430 . 1 1 9 LYS C C 14.346 10.362 -10.252 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 10 . 2431 . 1 1 9 LYS CA C 13.123 10.300 -11.192 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 10 . 2432 . 1 1 9 LYS CB C 13.214 11.359 -12.298 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 10 . 2433 . 1 1 9 LYS CD C 12.455 12.084 -14.601 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 10 . 2434 . 1 1 9 LYS CE C 11.557 11.794 -15.815 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 10 . 2435 . 1 1 9 LYS CG C 12.343 11.005 -13.513 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 10 . 2436 . 1 1 9 LYS H H 11.788 11.548 -10.196 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 10 . 2437 . 1 1 9 LYS HA H 13.065 9.305 -11.635 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 10 . 2438 . 1 1 9 LYS HB2 H 12.907 12.323 -11.894 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2439 . 1 1 9 LYS HB3 H 14.244 11.456 -12.611 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2440 . 1 1 9 LYS HD2 H 12.146 13.040 -14.174 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2441 . 1 1 9 LYS HD3 H 13.493 12.178 -14.925 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 10 . 2442 . 1 1 9 LYS HE2 H 10.535 11.626 -15.469 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2443 . 1 1 9 LYS HE3 H 11.553 12.677 -16.458 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 10 . 2444 . 1 1 9 LYS HG2 H 12.670 10.045 -13.914 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 10 . 2445 . 1 1 9 LYS HG3 H 11.301 10.920 -13.200 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 10 . 2446 . 1 1 9 LYS HZ1 H 11.989 9.778 -16.066 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 10 . 2447 . 1 1 9 LYS HZ2 H 12.951 10.767 -16.956 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 10 . 2448 . 1 1 9 LYS HZ3 H 11.408 10.493 -17.412 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 10 . 2449 . 1 1 9 LYS N N 11.906 10.578 -10.448 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 10 . 2450 . 1 1 9 LYS NZ N 12.011 10.626 -16.613 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 10 . 2451 . 1 1 9 LYS O O 14.248 10.948 -9.168 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 10 . 2452 . 1 1 10 HYP C C 17.447 11.069 -9.867 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 10 . 2453 . 1 1 10 HYP CA C 16.697 9.728 -9.816 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 10 . 2454 . 1 1 10 HYP CB C 17.481 8.517 -10.341 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 10 . 2455 . 1 1 10 HYP CD C 15.695 9.038 -11.881 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 10 . 2456 . 1 1 10 HYP CG C 17.115 8.472 -11.826 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 10 . 2457 . 1 1 10 HYP HA H 16.423 9.534 -8.777 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 10 . 2458 . 1 1 10 HYP HB2 H 18.557 8.606 -10.182 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2459 . 1 1 10 HYP HB3 H 17.117 7.621 -9.841 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2460 . 1 1 10 HYP HD1 H 16.584 6.599 -11.842 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2461 . 1 1 10 HYP HD22 H 14.957 8.237 -11.942 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 10 . 2462 . 1 1 10 HYP HD23 H 15.606 9.695 -12.748 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 10 . 2463 . 1 1 10 HYP HG H 17.781 9.133 -12.378 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 10 . 2464 . 1 1 10 HYP N N 15.497 9.784 -10.644 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 10 . 2465 . 1 1 10 HYP O O 17.067 12.017 -9.181 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 10 . 2466 . 1 1 10 HYP OD1 O 17.191 7.163 -12.356 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2467 . 1 1 11 ASN C C 18.862 13.513 -11.541 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 10 . 2468 . 1 1 11 ASN CA C 19.426 12.318 -10.755 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 10 . 2469 . 1 1 11 ASN CB C 20.780 11.851 -11.311 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 10 . 2470 . 1 1 11 ASN CG C 20.747 11.513 -12.807 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 10 . 2471 . 1 1 11 ASN H H 18.728 10.385 -11.265 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 10 . 2472 . 1 1 11 ASN HA H 19.592 12.662 -9.733 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 10 . 2473 . 1 1 11 ASN HB2 H 21.500 12.647 -11.135 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2474 . 1 1 11 ASN HB3 H 21.110 10.978 -10.751 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2475 . 1 1 11 ASN HD21 H 22.040 13.009 -13.272 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 10 . 2476 . 1 1 11 ASN HD22 H 21.470 12.046 -14.632 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 10 . 2477 . 1 1 11 ASN N N 18.500 11.180 -10.683 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 10 . 2478 . 1 1 11 ASN ND2 N 21.495 12.235 -13.636 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 10 . 2479 . 1 1 11 ASN O O 19.579 14.215 -12.252 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 10 . 2480 . 1 1 11 ASN OD1 O 20.046 10.594 -13.227 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2481 . 1 1 12 SER C C 17.397 16.191 -11.882 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 10 . 2482 . 1 1 12 SER CA C 16.840 14.782 -12.154 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 10 . 2483 . 1 1 12 SER CB C 15.344 14.651 -11.810 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 10 . 2484 . 1 1 12 SER H H 17.061 13.196 -10.738 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 10 . 2485 . 1 1 12 SER HA H 16.997 14.568 -13.202 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 10 . 2486 . 1 1 12 SER HB2 H 15.066 13.598 -11.853 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2487 . 1 1 12 SER HB3 H 15.181 15.003 -10.791 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2488 . 1 1 12 SER HG H 14.568 14.986 -13.591 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 10 . 2489 . 1 1 12 SER N N 17.564 13.761 -11.407 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 10 . 2490 . 1 1 12 SER O O 17.383 17.053 -12.764 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 10 . 2491 . 1 1 12 SER OG O 14.493 15.366 -12.693 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 10 . 2492 . 1 1 13 . C C 19.762 18.137 -10.961 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 10 . 2493 . 1 1 13 . CA C 18.538 17.634 -10.169 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 10 . 2494 . 1 1 13 . CB C 17.450 18.703 -10.049 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 10 . 2495 . 1 1 13 . CD1 C 15.431 17.706 -8.879 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2496 . 1 1 13 . CD2 C 16.885 19.209 -7.631 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2497 . 1 1 13 . CE1 C 14.632 17.530 -7.734 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2498 . 1 1 13 . CE2 C 16.081 19.039 -6.490 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2499 . 1 1 13 . CG C 16.562 18.543 -8.830 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 10 . 2500 . 1 1 13 . CZ C 14.956 18.198 -6.540 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 10 . 2501 . 1 1 13 . H H 17.941 15.604 -10.057 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 10 . 2502 . 1 1 13 . HA H 18.903 17.425 -9.163 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 10 . 2503 . 1 1 13 . HB2 H 16.839 18.742 -10.949 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2504 . 1 1 13 . HB3 H 17.967 19.647 -9.992 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2505 . 1 1 13 . HD1 H 15.176 17.190 -9.794 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2506 . 1 1 13 . HD2 H 17.754 19.851 -7.582 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2507 . 1 1 13 . HE1 H 13.771 16.878 -7.773 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2508 . 1 1 13 . HE2 H 16.333 19.553 -5.572 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2509 . 1 1 13 . HZ H 14.341 18.064 -5.660 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 10 . 2510 . 1 1 13 . N N 17.959 16.390 -10.683 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 10 . 2511 . 1 1 13 . O O 20.256 19.244 -10.729 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 10 . 2512 . 1 1 14 TRP C C 21.138 18.095 -14.068 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 10 . 2513 . 1 1 14 TRP CA C 21.467 17.569 -12.665 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 10 . 2514 . 1 1 14 TRP CB C 22.252 16.255 -12.745 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 10 . 2515 . 1 1 14 TRP CD1 C 22.132 15.297 -10.377 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2516 . 1 1 14 TRP CD2 C 24.228 15.647 -11.071 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 10 . 2517 . 1 1 14 TRP CE2 C 24.318 15.108 -9.754 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 10 . 2518 . 1 1 14 TRP CE3 C 25.435 15.968 -11.721 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 10 . 2519 . 1 1 14 TRP CG C 22.823 15.749 -11.449 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 10 . 2520 . 1 1 14 TRP CH2 C 26.739 15.214 -9.798 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 10 . 2521 . 1 1 14 TRP CZ2 C 25.552 14.889 -9.119 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 10 . 2522 . 1 1 14 TRP CZ3 C 26.679 15.754 -11.096 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 10 . 2523 . 1 1 14 TRP H H 19.833 16.427 -11.998 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 10 . 2524 . 1 1 14 TRP HA H 22.070 18.324 -12.173 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 10 . 2525 . 1 1 14 TRP HB2 H 21.613 15.482 -13.179 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 10 . 2526 . 1 1 14 TRP HB3 H 23.081 16.418 -13.432 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 10 . 2527 . 1 1 14 TRP HD1 H 21.054 15.246 -10.306 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 10 . 2528 . 1 1 14 TRP HE1 H 22.697 14.549 -8.484 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2529 . 1 1 14 TRP HE3 H 25.385 16.388 -12.715 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 10 . 2530 . 1 1 14 TRP HH2 H 27.697 15.051 -9.322 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 10 . 2531 . 1 1 14 TRP HZ2 H 25.588 14.478 -8.120 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 10 . 2532 . 1 1 14 TRP HZ3 H 27.593 16.008 -11.617 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 10 . 2533 . 1 1 14 TRP N N 20.278 17.317 -11.871 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 10 . 2534 . 1 1 14 TRP NE1 N 23.005 14.914 -9.379 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 10 . 2535 . 1 1 14 TRP O O 22.038 18.546 -14.782 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 10 . 2536 . 1 1 15 THR C C 19.169 19.995 -15.686 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 10 . 2537 . 1 1 15 THR CA C 19.389 18.478 -15.764 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 10 . 2538 . 1 1 15 THR CB C 18.125 17.688 -16.154 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 10 . 2539 . 1 1 15 THR CG2 C 17.712 17.962 -17.606 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 10 . 2540 . 1 1 15 THR H H 19.188 17.694 -13.799 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 10 . 2541 . 1 1 15 THR HA H 20.159 18.277 -16.509 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 10 . 2542 . 1 1 15 THR HB H 17.305 17.972 -15.492 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 10 . 2543 . 1 1 15 THR HG1 H 17.516 15.823 -16.106 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 10 . 2544 . 1 1 15 THR HG21 H 17.469 19.017 -17.729 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 10 . 2545 . 1 1 15 THR HG22 H 16.830 17.373 -17.860 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 10 . 2546 . 1 1 15 THR HG23 H 18.526 17.702 -18.284 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 10 . 2547 . 1 1 15 THR N N 19.870 18.024 -14.466 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 10 . 2548 . 1 1 15 THR O O 19.722 20.726 -16.539 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 10 . 2549 . 1 1 15 THR OXT O 18.482 20.467 -14.749 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 10 . 2550 . 1 1 15 THR OG1 O 18.366 16.291 -16.015 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 11 . 2551 . 1 1 1 ASP C C -1.061 1.280 -1.732 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 11 . 2552 . 1 1 1 ASP CA C -2.038 2.192 -0.997 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 11 . 2553 . 1 1 1 ASP CB C -3.474 2.148 -1.542 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 11 . 2554 . 1 1 1 ASP CG C -4.006 0.710 -1.503 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 11 . 2555 . 1 1 1 ASP H1 H -0.579 3.553 -0.538 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 11 . 2556 . 1 1 1 ASP H2 H -2.096 4.163 -0.401 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 11 . 2557 . 1 1 1 ASP H3 H -1.421 3.940 -1.884 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 11 . 2558 . 1 1 1 ASP HA H -2.093 1.805 0.010 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 11 . 2559 . 1 1 1 ASP HB2 H -4.114 2.778 -0.920 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2560 . 1 1 1 ASP HB3 H -3.503 2.541 -2.561 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2561 . 1 1 1 ASP N N -1.499 3.568 -0.951 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 11 . 2562 . 1 1 1 ASP O O -0.086 0.814 -1.136 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 11 . 2563 . 1 1 1 ASP OD1 O -3.941 0.071 -0.426 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2564 . 1 1 1 ASP OD2 O -4.498 0.219 -2.546 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2565 . 1 1 2 TRP C C 0.719 1.483 -4.388 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 11 . 2566 . 1 1 2 TRP CA C -0.326 0.441 -3.939 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 11 . 2567 . 1 1 2 TRP CB C -1.096 -0.253 -5.080 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 11 . 2568 . 1 1 2 TRP CD1 C -2.966 1.248 -5.940 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2569 . 1 1 2 TRP CD2 C -1.323 0.966 -7.435 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2570 . 1 1 2 TRP CE2 C -2.276 1.843 -8.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2571 . 1 1 2 TRP CE3 C -0.190 0.625 -8.203 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 11 . 2572 . 1 1 2 TRP CG C -1.776 0.624 -6.089 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 11 . 2573 . 1 1 2 TRP CH2 C -0.944 2.034 -10.048 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 11 . 2574 . 1 1 2 TRP CZ2 C -2.099 2.366 -9.325 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 11 . 2575 . 1 1 2 TRP CZ3 C 0.013 1.170 -9.486 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 11 . 2576 . 1 1 2 TRP H H -2.097 1.482 -3.434 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 11 . 2577 . 1 1 2 TRP HA H 0.217 -0.345 -3.414 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 11 . 2578 . 1 1 2 TRP HB2 H -0.402 -0.903 -5.614 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2579 . 1 1 2 TRP HB3 H -1.845 -0.913 -4.640 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2580 . 1 1 2 TRP HD1 H -3.597 1.191 -5.061 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2581 . 1 1 2 TRP HE1 H -4.111 2.518 -7.178 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2582 . 1 1 2 TRP HE3 H 0.544 -0.045 -7.779 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 11 . 2583 . 1 1 2 TRP HH2 H -0.799 2.449 -11.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 11 . 2584 . 1 1 2 TRP HZ2 H -2.832 3.025 -9.763 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 11 . 2585 . 1 1 2 TRP HZ3 H 0.917 0.932 -10.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 11 . 2586 . 1 1 2 TRP N N -1.279 1.062 -3.028 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 11 . 2587 . 1 1 2 TRP NE1 N -3.264 1.970 -7.079 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2588 . 1 1 2 TRP O O 0.807 2.578 -3.819 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 11 . 2589 . 1 1 3 GLU C C 1.972 3.246 -6.583 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 11 . 2590 . 1 1 3 GLU CA C 2.572 1.965 -5.968 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 11 . 2591 . 1 1 3 GLU CB C 3.376 1.128 -6.976 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 11 . 2592 . 1 1 3 GLU CD C 5.553 0.759 -8.224 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 11 . 2593 . 1 1 3 GLU CG C 4.723 1.743 -7.382 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 11 . 2594 . 1 1 3 GLU H H 1.362 0.227 -5.810 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 11 . 2595 . 1 1 3 GLU HA H 3.253 2.246 -5.172 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 11 . 2596 . 1 1 3 GLU HB2 H 3.576 0.152 -6.532 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2597 . 1 1 3 GLU HB3 H 2.769 0.983 -7.862 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2598 . 1 1 3 GLU HG2 H 4.554 2.652 -7.960 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 11 . 2599 . 1 1 3 GLU HG3 H 5.281 2.010 -6.482 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 11 . 2600 . 1 1 3 GLU N N 1.524 1.126 -5.389 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 11 . 2601 . 1 1 3 GLU O O 0.775 3.319 -6.875 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 11 . 2602 . 1 1 3 GLU OE1 O 5.425 0.761 -9.472 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2603 . 1 1 3 GLU OE2 O 6.351 -0.016 -7.644 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2604 . 1 1 4 TYR C C 2.318 5.379 -8.936 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 11 . 2605 . 1 1 4 TYR CA C 2.379 5.524 -7.409 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 11 . 2606 . 1 1 4 TYR CB C 3.286 6.692 -6.993 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 11 . 2607 . 1 1 4 TYR CD1 C 1.546 8.113 -5.806 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2608 . 1 1 4 TYR CD2 C 2.918 9.145 -7.532 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2609 . 1 1 4 TYR CE1 C 0.868 9.330 -5.612 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2610 . 1 1 4 TYR CE2 C 2.247 10.366 -7.346 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2611 . 1 1 4 TYR CG C 2.566 8.012 -6.772 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 11 . 2612 . 1 1 4 TYR CZ C 1.214 10.464 -6.384 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 11 . 2613 . 1 1 4 TYR H H 3.782 4.157 -6.579 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 11 . 2614 . 1 1 4 TYR HA H 1.377 5.764 -7.068 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 11 . 2615 . 1 1 4 TYR HB2 H 3.831 6.445 -6.081 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2616 . 1 1 4 TYR HB3 H 3.992 6.830 -7.804 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2617 . 1 1 4 TYR HD1 H 1.279 7.253 -5.206 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2618 . 1 1 4 TYR HD2 H 3.720 9.088 -8.252 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2619 . 1 1 4 TYR HE1 H 0.084 9.397 -4.870 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2620 . 1 1 4 TYR HE2 H 2.531 11.229 -7.933 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2621 . 1 1 4 TYR HH H 0.867 12.361 -6.760 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 11 . 2622 . 1 1 4 TYR N N 2.800 4.276 -6.775 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 11 . 2623 . 1 1 4 TYR O O 2.717 4.357 -9.505 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 11 . 2624 . 1 1 4 TYR OH O 0.555 11.642 -6.189 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 11 . 2625 . 1 1 5 HIS C C 2.901 7.388 -11.551 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 11 . 2626 . 1 1 5 HIS CA C 1.725 6.551 -11.029 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 11 . 2627 . 1 1 5 HIS CB C 0.358 7.169 -11.397 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 11 . 2628 . 1 1 5 HIS CD2 C -1.292 5.357 -12.143 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2629 . 1 1 5 HIS CE1 C -1.170 5.591 -14.342 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2630 . 1 1 5 HIS CG C -0.401 6.359 -12.419 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 11 . 2631 . 1 1 5 HIS H H 1.699 7.275 -9.029 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 11 . 2632 . 1 1 5 HIS HA H 1.773 5.556 -11.470 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 11 . 2633 . 1 1 5 HIS HB2 H -0.255 7.255 -10.501 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2634 . 1 1 5 HIS HB3 H 0.481 8.180 -11.788 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2635 . 1 1 5 HIS HD1 H 0.226 7.165 -14.309 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2636 . 1 1 5 HIS HD2 H -1.583 5.002 -11.161 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2637 . 1 1 5 HIS HE1 H -1.343 5.457 -15.403 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2638 . 1 1 5 HIS HE2 H -2.445 4.146 -13.489 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2639 . 1 1 5 HIS N N 1.855 6.447 -9.583 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 11 . 2640 . 1 1 5 HIS ND1 N -0.335 6.496 -13.796 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 11 . 2641 . 1 1 5 HIS NE2 N -1.762 4.887 -13.357 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2642 . 1 1 5 HIS O O 3.775 6.889 -12.262 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 11 . 2643 . 1 1 6 ALA C C 5.155 9.592 -10.607 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 11 . 2644 . 1 1 6 ALA CA C 3.968 9.632 -11.570 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 11 . 2645 . 1 1 6 ALA CB C 3.335 11.026 -11.672 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 11 . 2646 . 1 1 6 ALA H H 2.229 8.990 -10.527 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 11 . 2647 . 1 1 6 ALA HA H 4.344 9.341 -12.557 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 11 . 2648 . 1 1 6 ALA HB1 H 2.510 11.010 -12.384 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 11 . 2649 . 1 1 6 ALA HB2 H 2.972 11.344 -10.694 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2650 . 1 1 6 ALA HB3 H 4.086 11.738 -12.018 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2651 . 1 1 6 ALA N N 2.955 8.665 -11.151 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 11 . 2652 . 1 1 6 ALA O O 5.502 10.588 -9.967 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 11 . 2653 . 1 1 7 HIS C C 8.090 9.038 -10.036 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 11 . 2654 . 1 1 7 HIS CA C 6.899 8.133 -9.659 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 11 . 2655 . 1 1 7 HIS CB C 7.288 6.651 -9.765 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 11 . 2656 . 1 1 7 HIS CD2 C 6.304 4.940 -11.401 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2657 . 1 1 7 HIS CE1 C 7.062 5.749 -13.319 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2658 . 1 1 7 HIS CG C 7.097 6.021 -11.127 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 11 . 2659 . 1 1 7 HIS H H 5.359 7.626 -10.986 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 11 . 2660 . 1 1 7 HIS HA H 6.598 8.324 -8.635 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 11 . 2661 . 1 1 7 HIS HB2 H 8.334 6.559 -9.490 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2662 . 1 1 7 HIS HB3 H 6.731 6.107 -9.005 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2663 . 1 1 7 HIS HD1 H 8.164 7.324 -12.466 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2664 . 1 1 7 HIS HD2 H 5.737 4.352 -10.688 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2665 . 1 1 7 HIS HE1 H 7.200 5.922 -14.379 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2666 . 1 1 7 HIS HE2 H 5.771 4.082 -13.294 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2667 . 1 1 7 HIS N N 5.729 8.401 -10.464 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 11 . 2668 . 1 1 7 HIS ND1 N 7.576 6.508 -12.334 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 11 . 2669 . 1 1 7 HIS NE2 N 6.300 4.778 -12.776 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2670 . 1 1 7 HIS O O 8.206 9.458 -11.197 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 11 . 2671 . 1 1 8 PRO C C 11.201 9.667 -10.155 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 11 . 2672 . 1 1 8 PRO CA C 10.119 10.206 -9.218 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 11 . 2673 . 1 1 8 PRO CB C 10.650 10.406 -7.796 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 11 . 2674 . 1 1 8 PRO CD C 8.986 8.714 -7.738 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 11 . 2675 . 1 1 8 PRO CG C 10.298 9.110 -7.076 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 11 . 2676 . 1 1 8 PRO HA H 9.773 11.165 -9.609 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 11 . 2677 . 1 1 8 PRO HB2 H 11.722 10.552 -7.779 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2678 . 1 1 8 PRO HB3 H 10.133 11.246 -7.329 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2679 . 1 1 8 PRO HD2 H 8.904 7.629 -7.773 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2680 . 1 1 8 PRO HD3 H 8.153 9.133 -7.184 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 11 . 2681 . 1 1 8 PRO HG2 H 11.058 8.355 -7.285 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 11 . 2682 . 1 1 8 PRO HG3 H 10.184 9.258 -6.002 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 11 . 2683 . 1 1 8 PRO N N 9.001 9.289 -9.076 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 11 . 2684 . 1 1 8 PRO O O 11.353 8.461 -10.356 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 11 . 2685 . 1 1 9 LYS C C 14.399 10.207 -10.579 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 11 . 2686 . 1 1 9 LYS CA C 13.168 10.366 -11.496 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 11 . 2687 . 1 1 9 LYS CB C 13.315 11.570 -12.438 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 11 . 2688 . 1 1 9 LYS CD C 12.590 12.674 -14.593 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 11 . 2689 . 1 1 9 LYS CE C 11.779 12.557 -15.893 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 11 . 2690 . 1 1 9 LYS CG C 12.422 11.449 -13.681 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 11 . 2691 . 1 1 9 LYS H H 11.819 11.571 -10.452 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 11 . 2692 . 1 1 9 LYS HA H 13.039 9.453 -12.078 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 11 . 2693 . 1 1 9 LYS HB2 H 13.052 12.473 -11.891 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2694 . 1 1 9 LYS HB3 H 14.350 11.664 -12.748 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2695 . 1 1 9 LYS HD2 H 12.299 13.579 -14.056 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2696 . 1 1 9 LYS HD3 H 13.644 12.767 -14.861 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 11 . 2697 . 1 1 9 LYS HE2 H 12.067 13.377 -16.554 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2698 . 1 1 9 LYS HE3 H 12.038 11.619 -16.391 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 11 . 2699 . 1 1 9 LYS HG2 H 12.698 10.550 -14.234 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 11 . 2700 . 1 1 9 LYS HG3 H 11.381 11.366 -13.367 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 11 . 2701 . 1 1 9 LYS HZ1 H 9.998 11.845 -15.101 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 11 . 2702 . 1 1 9 LYS HZ2 H 9.823 12.560 -16.557 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 11 . 2703 . 1 1 9 LYS HZ3 H 10.046 13.480 -15.227 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 11 . 2704 . 1 1 9 LYS N N 11.976 10.605 -10.699 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 11 . 2705 . 1 1 9 LYS NZ N 10.311 12.614 -15.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 11 . 2706 . 1 1 9 LYS O O 14.351 10.632 -9.419 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 11 . 2707 . 1 1 10 HYP C C 17.516 10.640 -10.092 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 11 . 2708 . 1 1 10 HYP CA C 16.700 9.352 -10.276 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 11 . 2709 . 1 1 10 HYP CB C 17.429 8.223 -11.019 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 11 . 2710 . 1 1 10 HYP CD C 15.652 9.078 -12.417 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 11 . 2711 . 1 1 10 HYP CG C 17.042 8.442 -12.482 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 11 . 2712 . 1 1 10 HYP HA H 16.415 8.988 -9.288 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 11 . 2713 . 1 1 10 HYP HB2 H 18.510 8.247 -10.869 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2714 . 1 1 10 HYP HB3 H 17.040 7.270 -10.670 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2715 . 1 1 10 HYP HD1 H 16.413 6.628 -12.800 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2716 . 1 1 10 HYP HD22 H 14.872 8.336 -12.594 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 11 . 2717 . 1 1 10 HYP HD23 H 15.589 9.872 -13.163 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 11 . 2718 . 1 1 10 HYP HG H 17.735 9.153 -12.931 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 11 . 2719 . 1 1 10 HYP N N 15.506 9.620 -11.072 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 11 . 2720 . 1 1 10 HYP O O 17.225 11.437 -9.200 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 11 . 2721 . 1 1 10 HYP OD1 O 17.046 7.238 -13.222 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2722 . 1 1 11 ASN C C 18.816 13.291 -11.473 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 11 . 2723 . 1 1 11 ASN CA C 19.442 12.020 -10.878 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 11 . 2724 . 1 1 11 ASN CB C 20.789 11.655 -11.522 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 11 . 2725 . 1 1 11 ASN CG C 20.756 11.559 -13.052 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 11 . 2726 . 1 1 11 ASN H H 18.684 10.208 -11.677 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 11 . 2727 . 1 1 11 ASN HA H 19.639 12.223 -9.825 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 11 . 2728 . 1 1 11 ASN HB2 H 21.504 12.419 -11.225 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2729 . 1 1 11 ASN HB3 H 21.135 10.709 -11.110 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2730 . 1 1 11 ASN HD21 H 22.292 12.876 -13.254 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 11 . 2731 . 1 1 11 ASN HD22 H 21.646 12.221 -14.756 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 11 . 2732 . 1 1 11 ASN N N 18.523 10.877 -10.938 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 11 . 2733 . 1 1 11 ASN ND2 N 21.646 12.265 -13.743 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 11 . 2734 . 1 1 11 ASN O O 19.431 14.030 -12.242 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 11 . 2735 . 1 1 11 ASN OD1 O 19.937 10.840 -13.622 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2736 . 1 1 12 SER C C 17.364 15.995 -11.465 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 11 . 2737 . 1 1 12 SER CA C 16.746 14.607 -11.697 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 11 . 2738 . 1 1 12 SER CB C 15.332 14.476 -11.110 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 11 . 2739 . 1 1 12 SER H H 17.145 12.957 -10.411 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 11 . 2740 . 1 1 12 SER HA H 16.717 14.434 -12.764 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 11 . 2741 . 1 1 12 SER HB2 H 15.071 13.419 -11.062 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2742 . 1 1 12 SER HB3 H 15.332 14.863 -10.091 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2743 . 1 1 12 SER HG H 14.533 16.085 -11.916 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 11 . 2744 . 1 1 12 SER N N 17.563 13.553 -11.114 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 11 . 2745 . 1 1 12 SER O O 17.214 16.891 -12.297 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 11 . 2746 . 1 1 12 SER OG O 14.343 15.126 -11.893 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 11 . 2747 . 1 1 13 . C C 19.849 17.908 -10.874 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 11 . 2748 . 1 1 13 . CA C 18.790 17.353 -9.901 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 11 . 2749 . 1 1 13 . CB C 17.746 18.410 -9.554 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 11 . 2750 . 1 1 13 . CD1 C 17.458 18.327 -7.036 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2751 . 1 1 13 . CD2 C 15.637 17.533 -8.445 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2752 . 1 1 13 . CE1 C 16.710 18.006 -5.890 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2753 . 1 1 13 . CE2 C 14.890 17.211 -7.298 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2754 . 1 1 13 . CG C 16.924 18.091 -8.318 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 11 . 2755 . 1 1 13 . CZ C 15.426 17.448 -6.020 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 11 . 2756 . 1 1 13 . H H 18.179 15.328 -9.779 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 11 . 2757 . 1 1 13 . HA H 19.323 17.097 -8.984 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 11 . 2758 . 1 1 13 . HB2 H 17.087 18.571 -10.403 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2759 . 1 1 13 . HB3 H 18.292 19.328 -9.402 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2760 . 1 1 13 . HD1 H 18.447 18.751 -6.929 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2761 . 1 1 13 . HD2 H 15.219 17.347 -9.425 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2762 . 1 1 13 . HE1 H 17.124 18.187 -4.907 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2763 . 1 1 13 . HE2 H 13.904 16.779 -7.400 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2764 . 1 1 13 . HZ H 14.851 17.199 -5.137 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 11 . 2765 . 1 1 13 . N N 18.117 16.138 -10.368 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 11 . 2766 . 1 1 13 . O O 20.393 18.996 -10.669 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 11 . 2767 . 1 1 14 TRP C C 20.558 18.196 -14.147 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 11 . 2768 . 1 1 14 TRP CA C 21.153 17.462 -12.932 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 11 . 2769 . 1 1 14 TRP CB C 21.837 16.147 -13.322 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 11 . 2770 . 1 1 14 TRP CD1 C 22.310 15.042 -11.064 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2771 . 1 1 14 TRP CD2 C 24.158 15.382 -12.271 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 11 . 2772 . 1 1 14 TRP CE2 C 24.573 14.765 -11.054 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 11 . 2773 . 1 1 14 TRP CE3 C 25.162 15.718 -13.199 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 11 . 2774 . 1 1 14 TRP CG C 22.708 15.536 -12.259 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 11 . 2775 . 1 1 14 TRP CH2 C 26.899 14.829 -11.730 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 11 . 2776 . 1 1 14 TRP CZ2 C 25.922 14.487 -10.779 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 11 . 2777 . 1 1 14 TRP CZ3 C 26.519 15.446 -12.937 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 11 . 2778 . 1 1 14 TRP H H 19.676 16.277 -12.011 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 11 . 2779 . 1 1 14 TRP HA H 21.899 18.125 -12.497 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 11 . 2780 . 1 1 14 TRP HB2 H 21.080 15.421 -13.632 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 11 . 2781 . 1 1 14 TRP HB3 H 22.470 16.349 -14.186 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 11 . 2782 . 1 1 14 TRP HD1 H 21.288 15.018 -10.708 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 11 . 2783 . 1 1 14 TRP HE1 H 23.325 14.174 -9.428 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2784 . 1 1 14 TRP HE3 H 24.865 16.199 -14.120 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 11 . 2785 . 1 1 14 TRP HH2 H 27.943 14.623 -11.532 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 11 . 2786 . 1 1 14 TRP HZ2 H 26.205 14.019 -9.847 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 11 . 2787 . 1 1 14 TRP HZ3 H 27.272 15.714 -13.666 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 11 . 2788 . 1 1 14 TRP N N 20.158 17.154 -11.922 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 11 . 2789 . 1 1 14 TRP NE1 N 23.400 14.578 -10.356 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 11 . 2790 . 1 1 14 TRP O O 21.296 18.484 -15.093 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 11 . 2791 . 1 1 15 THR C C 17.598 20.247 -14.577 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 11 . 2792 . 1 1 15 THR CA C 18.603 19.269 -15.207 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 11 . 2793 . 1 1 15 THR CB C 18.042 18.288 -16.264 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 11 . 2794 . 1 1 15 THR CG2 C 16.819 17.480 -15.808 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 11 . 2795 . 1 1 15 THR H H 18.685 18.249 -13.348 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 11 . 2796 . 1 1 15 THR HA H 19.366 19.871 -15.703 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 11 . 2797 . 1 1 15 THR HB H 18.834 17.571 -16.491 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 11 . 2798 . 1 1 15 THR HG1 H 17.651 18.291 -18.186 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 11 . 2799 . 1 1 15 THR HG21 H 16.505 16.800 -16.601 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 11 . 2800 . 1 1 15 THR HG22 H 15.991 18.145 -15.559 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 11 . 2801 . 1 1 15 THR HG23 H 17.077 16.885 -14.933 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 11 . 2802 . 1 1 15 THR N N 19.259 18.512 -14.143 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 11 . 2803 . 1 1 15 THR O O 17.483 21.391 -15.076 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 11 . 2804 . 1 1 15 THR OXT O 16.987 19.923 -13.532 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 11 . 2805 . 1 1 15 THR OG1 O 17.745 18.957 -17.479 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 12 . 2806 . 1 1 1 ASP C C 0.568 -0.374 -2.705 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 12 . 2807 . 1 1 1 ASP CA C 1.145 -0.876 -1.386 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 12 . 2808 . 1 1 1 ASP CB C 2.431 -0.109 -1.033 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 12 . 2809 . 1 1 1 ASP CG C 2.865 -0.401 0.407 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 12 . 2810 . 1 1 1 ASP H1 H 1.962 -2.550 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 12 . 2811 . 1 1 1 ASP H2 H 0.496 -2.818 -1.570 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 12 . 2812 . 1 1 1 ASP H3 H 1.823 -2.651 -0.602 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 12 . 2813 . 1 1 1 ASP HA H 0.420 -0.680 -0.595 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 12 . 2814 . 1 1 1 ASP HB2 H 3.231 -0.388 -1.722 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2815 . 1 1 1 ASP HB3 H 2.251 0.963 -1.143 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2816 . 1 1 1 ASP N N 1.373 -2.337 -1.450 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 12 . 2817 . 1 1 1 ASP O O 0.773 -0.992 -3.755 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 12 . 2818 . 1 1 1 ASP OD1 O 3.036 -1.597 0.747 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2819 . 1 1 1 ASP OD2 O 3.025 0.553 1.205 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2820 . 1 1 2 TRP C C 0.468 2.060 -4.614 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 12 . 2821 . 1 1 2 TRP CA C -0.691 1.393 -3.866 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 12 . 2822 . 1 1 2 TRP CB C -1.812 2.366 -3.476 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 12 . 2823 . 1 1 2 TRP CD1 C -3.791 2.250 -5.059 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2824 . 1 1 2 TRP CD2 C -2.473 4.014 -5.467 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2825 . 1 1 2 TRP CE2 C -3.549 4.078 -6.402 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2826 . 1 1 2 TRP CE3 C -1.500 5.032 -5.536 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 12 . 2827 . 1 1 2 TRP CG C -2.660 2.843 -4.615 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 12 . 2828 . 1 1 2 TRP CH2 C -2.680 6.115 -7.380 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 12 . 2829 . 1 1 2 TRP CZ2 C -3.658 5.111 -7.347 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 12 . 2830 . 1 1 2 TRP CZ3 C -1.603 6.076 -6.476 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 12 . 2831 . 1 1 2 TRP H H -0.254 1.250 -1.799 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 12 . 2832 . 1 1 2 TRP HA H -1.135 0.636 -4.510 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 12 . 2833 . 1 1 2 TRP HB2 H -2.471 1.870 -2.761 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2834 . 1 1 2 TRP HB3 H -1.380 3.233 -2.972 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2835 . 1 1 2 TRP HD1 H -4.227 1.348 -4.644 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2836 . 1 1 2 TRP HE1 H -5.173 2.704 -6.588 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2837 . 1 1 2 TRP HE3 H -0.664 4.991 -4.853 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 12 . 2838 . 1 1 2 TRP HH2 H -2.765 6.912 -8.104 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 12 . 2839 . 1 1 2 TRP HZ2 H -4.481 5.145 -8.045 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 12 . 2840 . 1 1 2 TRP HZ3 H -0.851 6.851 -6.505 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 12 . 2841 . 1 1 2 TRP N N -0.151 0.753 -2.672 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 12 . 2842 . 1 1 2 TRP NE1 N -4.318 2.971 -6.111 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2843 . 1 1 2 TRP O O 1.047 3.035 -4.125 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 12 . 2844 . 1 1 3 GLU C C 1.437 3.231 -7.376 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 12 . 2845 . 1 1 3 GLU CA C 1.916 1.995 -6.606 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 12 . 2846 . 1 1 3 GLU CB C 2.408 0.869 -7.524 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 12 . 2847 . 1 1 3 GLU CD C 4.848 1.644 -7.521 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 12 . 2848 . 1 1 3 GLU CG C 3.639 1.223 -8.373 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 12 . 2849 . 1 1 3 GLU H H 0.327 0.691 -6.091 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 12 . 2850 . 1 1 3 GLU HA H 2.742 2.272 -5.960 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 12 . 2851 . 1 1 3 GLU HB2 H 2.648 -0.002 -6.912 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2852 . 1 1 3 GLU HB3 H 1.593 0.601 -8.188 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2853 . 1 1 3 GLU HG2 H 3.906 0.351 -8.972 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 12 . 2854 . 1 1 3 GLU HG3 H 3.383 2.022 -9.069 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 12 . 2855 . 1 1 3 GLU N N 0.832 1.501 -5.768 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 12 . 2856 . 1 1 3 GLU O O 0.273 3.309 -7.781 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 12 . 2857 . 1 1 3 GLU OE1 O 5.638 0.762 -7.107 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2858 . 1 1 3 GLU OE2 O 5.017 2.861 -7.269 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2859 . 1 1 4 TYR C C 1.944 5.267 -9.778 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 12 . 2860 . 1 1 4 TYR CA C 2.034 5.453 -8.257 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 12 . 2861 . 1 1 4 TYR CB C 3.064 6.528 -7.881 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 12 . 2862 . 1 1 4 TYR CD1 C 1.680 8.042 -6.393 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2863 . 1 1 4 TYR CD2 C 2.696 8.989 -8.392 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2864 . 1 1 4 TYR CE1 C 1.108 9.289 -6.087 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2865 . 1 1 4 TYR CE2 C 2.130 10.241 -8.095 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2866 . 1 1 4 TYR CG C 2.466 7.884 -7.550 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 12 . 2867 . 1 1 4 TYR CZ C 1.328 10.396 -6.939 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 12 . 2868 . 1 1 4 TYR H H 3.300 4.032 -7.307 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 12 . 2869 . 1 1 4 TYR HA H 1.068 5.809 -7.914 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 12 . 2870 . 1 1 4 TYR HB2 H 3.646 6.202 -7.020 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2871 . 1 1 4 TYR HB3 H 3.732 6.641 -8.728 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2872 . 1 1 4 TYR HD1 H 1.513 7.200 -5.734 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2873 . 1 1 4 TYR HD2 H 3.324 8.886 -9.263 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2874 . 1 1 4 TYR HE1 H 0.501 9.400 -5.198 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2875 . 1 1 4 TYR HE2 H 2.318 11.083 -8.748 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2876 . 1 1 4 TYR HH H 0.983 12.301 -7.278 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 12 . 2877 . 1 1 4 TYR N N 2.335 4.198 -7.576 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 12 . 2878 . 1 1 4 TYR O O 2.241 4.196 -10.318 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 12 . 2879 . 1 1 4 TYR OH O 0.772 11.605 -6.637 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 12 . 2880 . 1 1 5 HIS C C 2.683 7.234 -12.412 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 12 . 2881 . 1 1 5 HIS CA C 1.477 6.429 -11.909 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 12 . 2882 . 1 1 5 HIS CB C 0.126 7.055 -12.325 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 12 . 2883 . 1 1 5 HIS CD2 C -1.336 5.135 -13.188 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2884 . 1 1 5 HIS CE1 C -1.363 5.602 -15.354 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2885 . 1 1 5 HIS CG C -0.588 6.263 -13.393 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 12 . 2886 . 1 1 5 HIS H H 1.469 7.203 -9.926 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 12 . 2887 . 1 1 5 HIS HA H 1.528 5.426 -12.331 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 12 . 2888 . 1 1 5 HIS HB2 H -0.526 7.128 -11.455 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2889 . 1 1 5 HIS HB3 H 0.260 8.073 -12.694 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2890 . 1 1 5 HIS HD1 H -0.164 7.325 -15.212 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2891 . 1 1 5 HIS HD2 H -1.527 4.646 -12.239 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2892 . 1 1 5 HIS HE1 H -1.575 5.553 -16.415 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2893 . 1 1 5 HIS HE2 H -2.403 3.927 -14.605 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2894 . 1 1 5 HIS N N 1.571 6.351 -10.457 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 12 . 2895 . 1 1 5 HIS ND1 N -0.614 6.544 -14.749 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 12 . 2896 . 1 1 5 HIS NE2 N -1.811 4.734 -14.424 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2897 . 1 1 5 HIS O O 3.607 6.690 -13.020 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 12 . 2898 . 1 1 6 ALA C C 4.874 9.477 -11.491 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 12 . 2899 . 1 1 6 ALA CA C 3.732 9.495 -12.508 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 12 . 2900 . 1 1 6 ALA CB C 3.099 10.884 -12.667 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 12 . 2901 . 1 1 6 ALA H H 1.958 8.877 -11.514 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 12 . 2902 . 1 1 6 ALA HA H 4.141 9.182 -13.475 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 12 . 2903 . 1 1 6 ALA HB1 H 2.307 10.850 -13.415 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 12 . 2904 . 1 1 6 ALA HB2 H 2.689 11.223 -11.714 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2905 . 1 1 6 ALA HB3 H 3.863 11.593 -12.993 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2906 . 1 1 6 ALA N N 2.709 8.534 -12.095 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 12 . 2907 . 1 1 6 ALA O O 5.134 10.457 -10.790 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 12 . 2908 . 1 1 7 HIS C C 7.746 9.002 -10.550 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 12 . 2909 . 1 1 7 HIS CA C 6.581 7.991 -10.481 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 12 . 2910 . 1 1 7 HIS CB C 7.092 6.572 -10.778 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 12 . 2911 . 1 1 7 HIS CD2 C 8.348 6.637 -13.015 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2912 . 1 1 7 HIS CE1 C 6.869 5.637 -14.326 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2913 . 1 1 7 HIS CG C 7.284 6.250 -12.244 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 12 . 2914 . 1 1 7 HIS H H 5.144 7.546 -11.941 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 12 . 2915 . 1 1 7 HIS HA H 6.160 7.992 -9.478 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 12 . 2916 . 1 1 7 HIS HB2 H 8.053 6.459 -10.293 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2917 . 1 1 7 HIS HB3 H 6.438 5.854 -10.289 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2918 . 1 1 7 HIS HD1 H 5.466 5.248 -12.813 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2919 . 1 1 7 HIS HD2 H 9.219 7.192 -12.687 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2920 . 1 1 7 HIS HE1 H 6.354 5.274 -15.206 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 2921 . 1 1 7 HIS HE2 H 8.664 6.401 -15.125 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2922 . 1 1 7 HIS N N 5.491 8.305 -11.378 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 12 . 2923 . 1 1 7 HIS ND1 N 6.376 5.611 -13.074 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 12 . 2924 . 1 1 7 HIS NE2 N 8.076 6.238 -14.312 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2925 . 1 1 7 HIS O O 7.960 9.642 -11.592 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 12 . 2926 . 1 1 8 PRO C C 10.835 9.535 -10.254 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 12 . 2927 . 1 1 8 PRO CA C 9.686 9.970 -9.338 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 12 . 2928 . 1 1 8 PRO CB C 10.083 9.914 -7.860 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 12 . 2929 . 1 1 8 PRO CD C 8.364 8.320 -8.232 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 12 . 2930 . 1 1 8 PRO CG C 9.616 8.541 -7.396 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 12 . 2931 . 1 1 8 PRO HA H 9.394 10.991 -9.591 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 12 . 2932 . 1 1 8 PRO HB2 H 11.153 9.999 -7.723 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2933 . 1 1 8 PRO HB3 H 9.554 10.695 -7.311 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2934 . 1 1 8 PRO HD2 H 8.242 7.258 -8.435 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2935 . 1 1 8 PRO HD3 H 7.495 8.696 -7.703 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 12 . 2936 . 1 1 8 PRO HG2 H 10.366 7.790 -7.652 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 12 . 2937 . 1 1 8 PRO HG3 H 9.400 8.523 -6.327 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 12 . 2938 . 1 1 8 PRO N N 8.535 9.090 -9.459 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 12 . 2939 . 1 1 8 PRO O O 10.905 8.389 -10.702 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 12 . 2940 . 1 1 9 LYS C C 14.163 10.149 -10.658 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 12 . 2941 . 1 1 9 LYS CA C 12.854 10.341 -11.454 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 12 . 2942 . 1 1 9 LYS CB C 12.889 11.607 -12.332 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 12 . 2943 . 1 1 9 LYS CD C 10.471 11.440 -13.203 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 12 . 2944 . 1 1 9 LYS CE C 9.565 11.522 -14.435 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 12 . 2945 . 1 1 9 LYS CG C 11.959 11.566 -13.562 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 12 . 2946 . 1 1 9 LYS H H 11.658 11.389 -10.100 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 12 . 2947 . 1 1 9 LYS HA H 12.705 9.466 -12.088 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 12 . 2948 . 1 1 9 LYS HB2 H 12.652 12.480 -11.725 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2949 . 1 1 9 LYS HB3 H 13.901 11.758 -12.680 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2950 . 1 1 9 LYS HD2 H 10.301 10.471 -12.739 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 2951 . 1 1 9 LYS HD3 H 10.203 12.231 -12.500 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 12 . 2952 . 1 1 9 LYS HE2 H 9.733 12.471 -14.949 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 12 . 2953 . 1 1 9 LYS HE3 H 9.824 10.709 -15.116 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 12 . 2954 . 1 1 9 LYS HG2 H 12.105 12.487 -14.129 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 12 . 2955 . 1 1 9 LYS HG3 H 12.246 10.727 -14.198 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 12 . 2956 . 1 1 9 LYS HZ1 H 7.841 12.220 -13.530 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 12 . 2957 . 1 1 9 LYS HZ2 H 7.984 10.593 -13.470 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 12 . 2958 . 1 1 9 LYS HZ3 H 7.552 11.336 -14.875 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 12 . 2959 . 1 1 9 LYS N N 11.732 10.481 -10.536 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 12 . 2960 . 1 1 9 LYS NZ N 8.135 11.408 -14.053 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 12 . 2961 . 1 1 9 LYS O O 14.189 10.442 -9.458 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 12 . 2962 . 1 1 10 HYP C C 17.322 10.637 -10.391 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 12 . 2963 . 1 1 10 HYP CA C 16.506 9.352 -10.623 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 12 . 2964 . 1 1 10 HYP CB C 17.171 8.289 -11.509 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 12 . 2965 . 1 1 10 HYP CD C 15.301 9.241 -12.689 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 12 . 2966 . 1 1 10 HYP CG C 16.703 8.672 -12.912 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 12 . 2967 . 1 1 10 HYP HA H 16.308 8.904 -9.647 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 12 . 2968 . 1 1 10 HYP HB2 H 18.258 8.276 -11.421 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2969 . 1 1 10 HYP HB3 H 16.775 7.309 -11.238 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2970 . 1 1 10 HYP HD1 H 16.120 6.887 -13.421 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2971 . 1 1 10 HYP HD22 H 14.539 8.482 -12.869 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 12 . 2972 . 1 1 10 HYP HD23 H 15.151 10.090 -13.358 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 12 . 2973 . 1 1 10 HYP HG H 17.348 9.460 -13.300 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 12 . 2974 . 1 1 10 HYP N N 15.247 9.660 -11.292 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 12 . 2975 . 1 1 10 HYP O O 16.963 11.442 -9.532 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 12 . 2976 . 1 1 10 HYP OD1 O 16.703 7.571 -13.798 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2977 . 1 1 11 ASN C C 18.926 13.290 -11.440 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 12 . 2978 . 1 1 11 ASN CA C 19.396 11.925 -10.894 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 12 . 2979 . 1 1 11 ASN CB C 20.756 11.485 -11.464 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 12 . 2980 . 1 1 11 ASN CG C 21.903 12.359 -10.952 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 12 . 2981 . 1 1 11 ASN H H 18.639 10.195 -11.858 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 12 . 2982 . 1 1 11 ASN HA H 19.505 12.026 -9.813 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 12 . 2983 . 1 1 11 ASN HB2 H 20.962 10.457 -11.162 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2984 . 1 1 11 ASN HB3 H 20.715 11.514 -12.555 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2985 . 1 1 11 ASN HD21 H 22.697 12.574 -12.813 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 12 . 2986 . 1 1 11 ASN HD22 H 23.538 13.417 -11.515 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 12 . 2987 . 1 1 11 ASN N N 18.413 10.860 -11.134 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 12 . 2988 . 1 1 11 ASN ND2 N 22.796 12.802 -11.830 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 12 . 2989 . 1 1 11 ASN O O 19.688 14.044 -12.050 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 12 . 2990 . 1 1 11 ASN OD1 O 22.006 12.623 -9.755 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 12 . 2991 . 1 1 12 SER C C 17.507 16.070 -11.516 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 12 . 2992 . 1 1 12 SER CA C 16.937 14.697 -11.909 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 12 . 2993 . 1 1 12 SER CB C 15.442 14.559 -11.562 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 12 . 2994 . 1 1 12 SER H H 17.092 12.973 -10.676 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 12 . 2995 . 1 1 12 SER HA H 17.081 14.577 -12.977 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 12 . 2996 . 1 1 12 SER HB2 H 15.155 13.511 -11.650 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 2997 . 1 1 12 SER HB3 H 15.290 14.866 -10.526 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 2998 . 1 1 12 SER HG H 14.654 14.981 -13.318 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 12 . 2999 . 1 1 12 SER N N 17.641 13.596 -11.257 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 12 . 3000 . 1 1 12 SER O O 17.375 17.040 -12.266 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 12 . 3001 . 1 1 12 SER OG O 14.584 15.316 -12.402 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 12 . 3002 . 1 1 13 . C C 19.915 17.944 -10.699 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 12 . 3003 . 1 1 13 . CA C 18.841 17.313 -9.791 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 12 . 3004 . 1 1 13 . CB C 17.778 18.331 -9.399 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 12 . 3005 . 1 1 13 . CD1 C 17.294 17.997 -6.931 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 12 . 3006 . 1 1 13 . CD2 C 15.590 17.363 -8.553 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 3007 . 1 1 13 . CE1 C 16.453 17.575 -5.885 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 12 . 3008 . 1 1 13 . CE2 C 14.752 16.941 -7.507 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 12 . 3009 . 1 1 13 . CG C 16.865 17.892 -8.269 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 12 . 3010 . 1 1 13 . CZ C 15.182 17.047 -6.172 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 12 . 3011 . 1 1 13 . H H 18.242 15.281 -9.837 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 12 . 3012 . 1 1 13 . HA H 19.352 16.994 -8.881 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 12 . 3013 . 1 1 13 . HB2 H 17.184 18.581 -10.272 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 3014 . 1 1 13 . HB3 H 18.324 19.217 -9.115 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 3015 . 1 1 13 . HD1 H 18.272 18.399 -6.704 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 3016 . 1 1 13 . HD2 H 15.253 17.277 -9.577 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 12 . 3017 . 1 1 13 . HE1 H 16.786 17.657 -4.859 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 3018 . 1 1 13 . HE2 H 13.774 16.534 -7.729 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 12 . 3019 . 1 1 13 . HZ H 14.536 16.722 -5.367 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 12 . 3020 . 1 1 13 . N N 18.194 16.132 -10.367 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 12 . 3021 . 1 1 13 . O O 20.357 19.077 -10.488 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 12 . 3022 . 1 1 14 TRP C C 20.886 17.751 -14.068 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 12 . 3023 . 1 1 14 TRP CA C 21.403 17.512 -12.641 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 12 . 3024 . 1 1 14 TRP CB C 22.387 16.341 -12.593 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 12 . 3025 . 1 1 14 TRP CD1 C 22.634 15.693 -10.141 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 12 . 3026 . 1 1 14 TRP CD2 C 24.501 16.578 -10.994 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 12 . 3027 . 1 1 14 TRP CE2 C 24.788 16.248 -9.637 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 12 . 3028 . 1 1 14 TRP CE3 C 25.530 17.179 -11.745 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 12 . 3029 . 1 1 14 TRP CG C 23.127 16.195 -11.295 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 12 . 3030 . 1 1 14 TRP CH2 C 27.055 17.080 -9.839 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 12 . 3031 . 1 1 14 TRP CZ2 C 26.046 16.488 -9.060 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 12 . 3032 . 1 1 14 TRP CZ3 C 26.795 17.427 -11.178 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 12 . 3033 . 1 1 14 TRP H H 19.946 16.276 -11.766 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 12 . 3034 . 1 1 14 TRP HA H 21.910 18.420 -12.322 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 12 . 3035 . 1 1 14 TRP HB2 H 21.852 15.411 -12.808 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 12 . 3036 . 1 1 14 TRP HB3 H 23.119 16.492 -13.382 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 12 . 3037 . 1 1 14 TRP HD1 H 21.625 15.322 -10.005 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 12 . 3038 . 1 1 14 TRP HE1 H 23.454 15.358 -8.226 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 12 . 3039 . 1 1 14 TRP HE3 H 25.324 17.451 -12.770 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 12 . 3040 . 1 1 14 TRP HH2 H 28.029 17.272 -9.408 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 12 . 3041 . 1 1 14 TRP HZ2 H 26.235 16.224 -8.028 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 12 . 3042 . 1 1 14 TRP HZ3 H 27.571 17.888 -11.775 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 12 . 3043 . 1 1 14 TRP N N 20.342 17.193 -11.705 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 12 . 3044 . 1 1 14 TRP NE1 N 23.610 15.709 -9.165 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 12 . 3045 . 1 1 14 TRP O O 21.687 18.047 -14.960 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 12 . 3046 . 1 1 15 THR C C 17.752 18.783 -15.427 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 12 . 3047 . 1 1 15 THR CA C 18.933 17.809 -15.597 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 12 . 3048 . 1 1 15 THR CB C 18.585 16.427 -16.208 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 12 . 3049 . 1 1 15 THR CG2 C 19.840 15.766 -16.800 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 12 . 3050 . 1 1 15 THR H H 18.966 17.427 -13.517 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 12 . 3051 . 1 1 15 THR HA H 19.628 18.302 -16.277 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 12 . 3052 . 1 1 15 THR HB H 17.874 16.566 -17.024 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 12 . 3053 . 1 1 15 THR HG1 H 17.648 14.773 -15.737 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 12 . 3054 . 1 1 15 THR HG21 H 19.568 14.835 -17.297 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 12 . 3055 . 1 1 15 THR HG22 H 20.569 15.553 -16.017 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 12 . 3056 . 1 1 15 THR HG23 H 20.293 16.429 -17.538 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 12 . 3057 . 1 1 15 THR N N 19.578 17.624 -14.299 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 12 . 3058 . 1 1 15 THR O O 16.689 18.615 -16.069 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 12 . 3059 . 1 1 15 THR OXT O 17.912 19.780 -14.681 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 12 . 3060 . 1 1 15 THR OG1 O 18.036 15.525 -15.253 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 13 . 3061 . 1 1 1 ASP C C -1.935 0.250 -1.781 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 13 . 3062 . 1 1 1 ASP CA C -2.146 0.747 -0.355 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 13 . 3063 . 1 1 1 ASP CB C -0.825 0.703 0.432 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 13 . 3064 . 1 1 1 ASP CG C -0.955 1.442 1.768 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 13 . 3065 . 1 1 1 ASP H1 H -4.088 0.097 -0.166 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 13 . 3066 . 1 1 1 ASP H2 H -3.293 0.242 1.275 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 13 . 3067 . 1 1 1 ASP H3 H -2.977 -1.021 0.265 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 13 . 3068 . 1 1 1 ASP HA H -2.469 1.787 -0.396 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 13 . 3069 . 1 1 1 ASP HB2 H -0.534 -0.335 0.613 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3070 . 1 1 1 ASP HB3 H -0.038 1.174 -0.162 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3071 . 1 1 1 ASP N N -3.210 -0.041 0.309 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 13 . 3072 . 1 1 1 ASP O O -2.240 -0.906 -2.095 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 13 . 3073 . 1 1 1 ASP OD1 O -1.872 1.098 2.553 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3074 . 1 1 1 ASP OD2 O -0.155 2.369 2.037 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3075 . 1 1 2 TRP C C 0.073 1.728 -4.515 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 13 . 3076 . 1 1 2 TRP CA C -1.042 0.784 -4.036 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 13 . 3077 . 1 1 2 TRP CB C -2.291 0.809 -4.940 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 13 . 3078 . 1 1 2 TRP CD1 C -2.537 -1.481 -6.008 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3079 . 1 1 2 TRP CD2 C -1.857 0.068 -7.470 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3080 . 1 1 2 TRP CE2 C -1.906 -1.168 -8.180 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3081 . 1 1 2 TRP CE3 C -1.436 1.203 -8.188 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 13 . 3082 . 1 1 2 TRP CG C -2.248 -0.162 -6.084 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 13 . 3083 . 1 1 2 TRP CH2 C -1.098 -0.117 -10.208 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 13 . 3084 . 1 1 2 TRP CZ2 C -1.538 -1.265 -9.532 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 13 . 3085 . 1 1 2 TRP CZ3 C -1.043 1.118 -9.536 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 13 . 3086 . 1 1 2 TRP H H -1.118 2.029 -2.338 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 13 . 3087 . 1 1 2 TRP HA H -0.642 -0.230 -4.063 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 13 . 3088 . 1 1 2 TRP HB2 H -3.174 0.565 -4.347 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3089 . 1 1 2 TRP HB3 H -2.435 1.819 -5.327 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3090 . 1 1 2 TRP HD1 H -2.853 -1.998 -5.110 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3091 . 1 1 2 TRP HE1 H -2.504 -3.065 -7.404 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3092 . 1 1 2 TRP HE3 H -1.403 2.147 -7.672 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 13 . 3093 . 1 1 2 TRP HH2 H -0.802 -0.195 -11.244 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 13 . 3094 . 1 1 2 TRP HZ2 H -1.578 -2.209 -10.054 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 13 . 3095 . 1 1 2 TRP HZ3 H -0.688 2.004 -10.046 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 13 . 3096 . 1 1 2 TRP N N -1.392 1.106 -2.653 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 13 . 3097 . 1 1 2 TRP NE1 N -2.350 -2.076 -7.241 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3098 . 1 1 2 TRP O O 0.423 2.689 -3.821 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 13 . 3099 . 1 1 3 GLU C C 1.331 3.564 -6.729 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 13 . 3100 . 1 1 3 GLU CA C 1.768 2.159 -6.271 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 13 . 3101 . 1 1 3 GLU CB C 2.359 1.296 -7.399 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 13 . 3102 . 1 1 3 GLU CD C 4.776 2.016 -6.958 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 13 . 3103 . 1 1 3 GLU CG C 3.684 1.775 -8.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 13 . 3104 . 1 1 3 GLU H H 0.271 0.661 -6.215 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 13 . 3105 . 1 1 3 GLU HA H 2.532 2.264 -5.510 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 13 . 3106 . 1 1 3 GLU HB2 H 2.522 0.289 -7.011 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3107 . 1 1 3 GLU HB3 H 1.619 1.231 -8.188 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3108 . 1 1 3 GLU HG2 H 4.028 1.020 -8.721 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 13 . 3109 . 1 1 3 GLU HG3 H 3.515 2.688 -8.580 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 13 . 3110 . 1 1 3 GLU N N 0.647 1.431 -5.682 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 13 . 3111 . 1 1 3 GLU O O 0.140 3.850 -6.881 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 13 . 3112 . 1 1 3 GLU OE1 O 5.471 1.050 -6.563 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3113 . 1 1 3 GLU OE2 O 4.945 3.182 -6.529 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3114 . 1 1 4 TYR C C 1.917 5.671 -9.069 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 13 . 3115 . 1 1 4 TYR CA C 2.052 5.774 -7.543 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 13 . 3116 . 1 1 4 TYR CB C 3.142 6.769 -7.120 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 13 . 3117 . 1 1 4 TYR CD1 C 1.666 8.476 -5.949 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3118 . 1 1 4 TYR CD2 C 3.199 9.244 -7.676 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3119 . 1 1 4 TYR CE1 C 1.204 9.792 -5.769 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3120 . 1 1 4 TYR CE2 C 2.744 10.563 -7.504 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3121 . 1 1 4 TYR CG C 2.657 8.194 -6.909 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 13 . 3122 . 1 1 4 TYR CZ C 1.740 10.844 -6.548 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 13 . 3123 . 1 1 4 TYR H H 3.261 4.163 -6.845 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 13 . 3124 . 1 1 4 TYR HA H 1.113 6.170 -7.175 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 13 . 3125 . 1 1 4 TYR HB2 H 3.620 6.437 -6.197 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3126 . 1 1 4 TYR HB3 H 3.877 6.774 -7.917 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3127 . 1 1 4 TYR HD1 H 1.255 7.680 -5.342 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3128 . 1 1 4 TYR HD2 H 3.981 9.042 -8.390 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3129 . 1 1 4 TYR HE1 H 0.441 9.999 -5.031 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3130 . 1 1 4 TYR HE2 H 3.174 11.360 -8.097 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3131 . 1 1 4 TYR HH H 1.720 12.769 -6.943 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 13 . 3132 . 1 1 4 TYR N N 2.295 4.459 -6.950 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 13 . 3133 . 1 1 4 TYR O O 2.022 4.590 -9.656 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 13 . 3134 . 1 1 4 TYR OH O 1.289 12.119 -6.367 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 13 . 3135 . 1 1 5 HIS C C 2.785 7.760 -11.650 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 13 . 3136 . 1 1 5 HIS CA C 1.571 6.972 -11.142 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 13 . 3137 . 1 1 5 HIS CB C 0.232 7.666 -11.480 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 13 . 3138 . 1 1 5 HIS CD2 C -1.325 5.842 -12.384 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3139 . 1 1 5 HIS CE1 C -1.404 6.413 -14.523 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3140 . 1 1 5 HIS CG C -0.545 6.953 -12.560 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 13 . 3141 . 1 1 5 HIS H H 1.729 7.659 -9.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 13 . 3142 . 1 1 5 HIS HA H 1.573 5.990 -11.613 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 13 . 3143 . 1 1 5 HIS HB2 H -0.386 7.720 -10.585 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3144 . 1 1 5 HIS HB3 H 0.394 8.695 -11.799 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3145 . 1 1 5 HIS HD1 H -0.141 8.086 -14.340 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3146 . 1 1 5 HIS HD2 H -1.501 5.314 -11.454 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3147 . 1 1 5 HIS HE1 H -1.650 6.423 -15.577 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3148 . 1 1 5 HIS HE2 H -2.478 4.741 -13.820 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3149 . 1 1 5 HIS N N 1.703 6.824 -9.699 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 13 . 3150 . 1 1 5 HIS ND1 N -0.604 7.300 -13.900 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 13 . 3151 . 1 1 5 HIS NE2 N -1.853 5.517 -13.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3152 . 1 1 5 HIS O O 3.659 7.218 -12.331 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 13 . 3153 . 1 1 6 ALA C C 5.086 9.929 -10.759 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 13 . 3154 . 1 1 6 ALA CA C 3.892 9.988 -11.712 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 13 . 3155 . 1 1 6 ALA CB C 3.278 11.392 -11.815 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 13 . 3156 . 1 1 6 ALA H H 2.171 9.371 -10.621 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 13 . 3157 . 1 1 6 ALA HA H 4.245 9.688 -12.705 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 13 . 3158 . 1 1 6 ALA HB1 H 4.036 12.093 -12.167 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 13 . 3159 . 1 1 6 ALA HB2 H 2.449 11.385 -12.524 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3160 . 1 1 6 ALA HB3 H 2.920 11.721 -10.839 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3161 . 1 1 6 ALA N N 2.873 9.038 -11.266 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 13 . 3162 . 1 1 6 ALA O O 5.404 10.892 -10.057 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 13 . 3163 . 1 1 7 HIS C C 8.006 9.386 -10.047 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 13 . 3164 . 1 1 7 HIS CA C 6.825 8.408 -9.870 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 13 . 3165 . 1 1 7 HIS CB C 7.280 6.971 -10.171 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 13 . 3166 . 1 1 7 HIS CD2 C 8.371 6.963 -12.493 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3167 . 1 1 7 HIS CE1 C 6.766 6.001 -13.678 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3168 . 1 1 7 HIS CG C 7.357 6.616 -11.640 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 13 . 3169 . 1 1 7 HIS H H 5.300 7.995 -11.244 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 13 . 3170 . 1 1 7 HIS HA H 6.478 8.440 -8.840 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 13 . 3171 . 1 1 7 HIS HB2 H 8.271 6.847 -9.756 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3172 . 1 1 7 HIS HB3 H 6.650 6.279 -9.617 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3173 . 1 1 7 HIS HD1 H 5.475 5.660 -12.059 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3174 . 1 1 7 HIS HD2 H 9.277 7.501 -12.240 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3175 . 1 1 7 HIS HE1 H 6.170 5.658 -14.513 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3176 . 1 1 7 HIS HE2 H 8.512 6.714 -14.619 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3177 . 1 1 7 HIS N N 5.682 8.741 -10.690 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 13 . 3178 . 1 1 7 HIS ND1 N 6.372 5.996 -12.391 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 13 . 3179 . 1 1 7 HIS NE2 N 7.988 6.564 -13.762 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3180 . 1 1 7 HIS O O 8.158 10.001 -11.113 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 13 . 3181 . 1 1 8 PRO C C 11.116 9.803 -10.019 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 13 . 3182 . 1 1 8 PRO CA C 10.064 10.315 -9.034 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 13 . 3183 . 1 1 8 PRO CB C 10.578 10.296 -7.592 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 13 . 3184 . 1 1 8 PRO CD C 8.788 8.743 -7.769 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 13 . 3185 . 1 1 8 PRO CG C 10.106 8.957 -7.039 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 13 . 3186 . 1 1 8 PRO HA H 9.796 11.338 -9.308 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 13 . 3187 . 1 1 8 PRO HB2 H 11.658 10.346 -7.546 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3188 . 1 1 8 PRO HB3 H 10.124 11.117 -7.035 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3189 . 1 1 8 PRO HD2 H 8.624 7.678 -7.932 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3190 . 1 1 8 PRO HD3 H 7.973 9.156 -7.187 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 13 . 3191 . 1 1 8 PRO HG2 H 10.812 8.174 -7.320 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 13 . 3192 . 1 1 8 PRO HG3 H 9.972 8.987 -5.957 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 13 . 3193 . 1 1 8 PRO N N 8.880 9.474 -9.026 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 13 . 3194 . 1 1 8 PRO O O 11.149 8.625 -10.383 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 13 . 3195 . 1 1 9 LYS C C 14.421 10.366 -10.458 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 13 . 3196 . 1 1 9 LYS CA C 13.132 10.482 -11.297 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 13 . 3197 . 1 1 9 LYS CB C 13.197 11.668 -12.267 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 13 . 3198 . 1 1 9 LYS CD C 12.276 12.720 -14.378 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 13 . 3199 . 1 1 9 LYS CE C 11.258 12.546 -15.515 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 13 . 3200 . 1 1 9 LYS CG C 12.195 11.523 -13.422 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 13 . 3201 . 1 1 9 LYS H H 11.938 11.658 -10.063 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 13 . 3202 . 1 1 9 LYS HA H 12.982 9.557 -11.854 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 13 . 3203 . 1 1 9 LYS HB2 H 12.991 12.585 -11.718 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3204 . 1 1 9 LYS HB3 H 14.200 11.746 -12.663 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3205 . 1 1 9 LYS HD2 H 12.058 13.637 -13.827 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3206 . 1 1 9 LYS HD3 H 13.284 12.783 -14.794 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 13 . 3207 . 1 1 9 LYS HE2 H 11.477 11.617 -16.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3208 . 1 1 9 LYS HE3 H 10.258 12.465 -15.084 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 13 . 3209 . 1 1 9 LYS HG2 H 12.415 10.608 -13.974 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 13 . 3210 . 1 1 9 LYS HG3 H 11.183 11.456 -13.019 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 13 . 3211 . 1 1 9 LYS HZ1 H 12.195 13.761 -16.906 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 13 . 3212 . 1 1 9 LYS HZ2 H 11.068 14.548 -16.013 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 13 . 3213 . 1 1 9 LYS HZ3 H 10.606 13.534 -17.207 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 13 . 3214 . 1 1 9 LYS N N 11.994 10.719 -10.427 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 13 . 3215 . 1 1 9 LYS NZ N 11.287 13.677 -16.474 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 13 . 3216 . 1 1 9 LYS O O 14.447 10.843 -9.319 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 13 . 3217 . 1 1 10 HYP C C 17.570 10.815 -10.222 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 13 . 3218 . 1 1 10 HYP CA C 16.737 9.525 -10.271 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 13 . 3219 . 1 1 10 HYP CB C 17.406 8.349 -10.997 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 13 . 3220 . 1 1 10 HYP CD C 15.552 9.156 -12.323 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 13 . 3221 . 1 1 10 HYP CG C 16.925 8.492 -12.442 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 13 . 3222 . 1 1 10 HYP HA H 16.520 9.221 -9.245 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 13 . 3223 . 1 1 10 HYP HB2 H 18.494 8.369 -10.919 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3224 . 1 1 10 HYP HB3 H 17.032 7.420 -10.571 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3225 . 1 1 10 HYP HD1 H 16.251 6.673 -12.609 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3226 . 1 1 10 HYP HD22 H 14.751 8.422 -12.423 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 13 . 3227 . 1 1 10 HYP HD23 H 15.456 9.921 -13.096 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 13 . 3228 . 1 1 10 HYP HG H 17.597 9.162 -12.976 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 13 . 3229 . 1 1 10 HYP N N 15.494 9.757 -10.996 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 13 . 3230 . 1 1 10 HYP O O 17.352 11.663 -9.356 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 13 . 3231 . 1 1 10 HYP OD1 O 16.861 7.247 -13.109 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3232 . 1 1 11 ASN C C 18.837 13.387 -11.799 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 13 . 3233 . 1 1 11 ASN CA C 19.462 12.108 -11.219 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 13 . 3234 . 1 1 11 ASN CB C 20.726 11.674 -11.978 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 13 . 3235 . 1 1 11 ASN CG C 20.542 11.546 -13.496 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 13 . 3236 . 1 1 11 ASN H H 18.601 10.283 -11.867 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 13 . 3237 . 1 1 11 ASN HA H 19.760 12.338 -10.195 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 13 . 3238 . 1 1 11 ASN HB2 H 21.493 12.418 -11.774 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3239 . 1 1 11 ASN HB3 H 21.076 10.725 -11.575 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3240 . 1 1 11 ASN HD21 H 22.277 12.536 -13.873 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 13 . 3241 . 1 1 11 ASN HD22 H 21.386 11.989 -15.290 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 13 . 3242 . 1 1 11 ASN N N 18.509 10.994 -11.154 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 13 . 3243 . 1 1 11 ASN ND2 N 21.481 12.060 -14.283 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 13 . 3244 . 1 1 11 ASN O O 19.450 14.113 -12.582 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 13 . 3245 . 1 1 11 ASN OD1 O 19.563 10.973 -13.972 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3246 . 1 1 12 SER C C 17.524 16.135 -11.666 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 13 . 3247 . 1 1 12 SER CA C 16.813 14.793 -11.905 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 13 . 3248 . 1 1 12 SER CB C 15.428 14.725 -11.240 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 13 . 3249 . 1 1 12 SER H H 17.198 13.082 -10.691 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 13 . 3250 . 1 1 12 SER HA H 16.710 14.658 -12.972 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 13 . 3251 . 1 1 12 SER HB2 H 15.082 13.691 -11.251 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3252 . 1 1 12 SER HB3 H 15.514 15.043 -10.201 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3253 . 1 1 12 SER HG H 13.618 15.468 -11.422 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 13 . 3254 . 1 1 12 SER N N 17.603 13.677 -11.401 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 13 . 3255 . 1 1 12 SER O O 17.461 17.041 -12.500 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 13 . 3256 . 1 1 12 SER OG O 14.463 15.516 -11.913 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 13 . 3257 . 1 1 13 . C C 20.134 17.877 -10.954 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 13 . 3258 . 1 1 13 . CA C 18.997 17.376 -10.044 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 13 . 3259 . 1 1 13 . CB C 18.005 18.489 -9.721 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 13 . 3260 . 1 1 13 . CD1 C 15.808 17.671 -8.754 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3261 . 1 1 13 . CD2 C 17.579 18.348 -7.226 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3262 . 1 1 13 . CE1 C 14.995 17.327 -7.660 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3263 . 1 1 13 . CE2 C 16.764 18.009 -6.132 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3264 . 1 1 13 . CG C 17.104 18.179 -8.541 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 13 . 3265 . 1 1 13 . CZ C 15.472 17.497 -6.348 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 13 . 3266 . 1 1 13 . H H 18.255 15.393 -9.977 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 13 . 3267 . 1 1 13 . HA H 19.470 17.073 -9.109 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 13 . 3268 . 1 1 13 . HB2 H 17.402 18.713 -10.597 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3269 . 1 1 13 . HB3 H 18.600 19.366 -9.513 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3270 . 1 1 13 . HD1 H 15.437 17.533 -9.761 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3271 . 1 1 13 . HD2 H 18.576 18.730 -7.054 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3272 . 1 1 13 . HE1 H 14.006 16.925 -7.829 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3273 . 1 1 13 . HE2 H 17.136 18.133 -5.124 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3274 . 1 1 13 . HZ H 14.847 17.231 -5.505 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 13 . 3275 . 1 1 13 . N N 18.270 16.212 -10.558 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 13 . 3276 . 1 1 13 . O O 20.731 18.928 -10.709 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 13 . 3277 . 1 1 14 TRP C C 20.993 17.980 -14.249 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 13 . 3278 . 1 1 14 TRP CA C 21.516 17.351 -12.947 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 13 . 3279 . 1 1 14 TRP CB C 22.203 16.004 -13.203 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 13 . 3280 . 1 1 14 TRP CD1 C 22.348 14.872 -10.917 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3281 . 1 1 14 TRP CD2 C 24.355 15.288 -11.808 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 13 . 3282 . 1 1 14 TRP CE2 C 24.588 14.654 -10.552 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 13 . 3283 . 1 1 14 TRP CE3 C 25.486 15.668 -12.558 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 13 . 3284 . 1 1 14 TRP CG C 22.917 15.405 -12.023 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 13 . 3285 . 1 1 14 TRP CH2 C 26.990 14.783 -10.849 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 13 . 3286 . 1 1 14 TRP CZ2 C 25.883 14.399 -10.072 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 13 . 3287 . 1 1 14 TRP CZ3 C 26.790 15.419 -12.088 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 13 . 3288 . 1 1 14 TRP H H 19.914 16.273 -12.116 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 13 . 3289 . 1 1 14 TRP HA H 22.243 18.039 -12.513 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 13 . 3290 . 1 1 14 TRP HB2 H 21.467 15.288 -13.578 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 13 . 3291 . 1 1 14 TRP HB3 H 22.938 16.160 -13.989 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 13 . 3292 . 1 1 14 TRP HD1 H 21.284 14.810 -10.733 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 13 . 3293 . 1 1 14 TRP HE1 H 23.115 13.990 -9.158 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3294 . 1 1 14 TRP HE3 H 25.331 16.162 -13.506 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 13 . 3295 . 1 1 14 TRP HH2 H 27.994 14.594 -10.492 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 13 . 3296 . 1 1 14 TRP HZ2 H 26.027 13.915 -9.116 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 13 . 3297 . 1 1 14 TRP HZ3 H 27.642 15.719 -12.683 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 13 . 3298 . 1 1 14 TRP N N 20.449 17.112 -11.991 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 13 . 3299 . 1 1 14 TRP NE1 N 23.325 14.422 -10.052 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 13 . 3300 . 1 1 14 TRP O O 21.775 18.198 -15.179 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 13 . 3301 . 1 1 15 THR C C 17.799 19.605 -15.062 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 13 . 3302 . 1 1 15 THR CA C 19.027 18.791 -15.528 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 13 . 3303 . 1 1 15 THR CB C 18.798 17.607 -16.507 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 13 . 3304 . 1 1 15 THR CG2 C 17.775 16.567 -16.023 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 13 . 3305 . 1 1 15 THR H H 19.096 18.093 -13.538 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 13 . 3306 . 1 1 15 THR HA H 19.712 19.492 -16.007 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 13 . 3307 . 1 1 15 THR HB H 19.748 17.076 -16.597 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 13 . 3308 . 1 1 15 THR HG1 H 19.265 18.435 -18.224 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 13 . 3309 . 1 1 15 THR HG21 H 17.686 15.767 -16.759 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 13 . 3310 . 1 1 15 THR HG22 H 16.798 17.025 -15.874 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 13 . 3311 . 1 1 15 THR HG23 H 18.110 16.127 -15.083 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 13 . 3312 . 1 1 15 THR N N 19.690 18.264 -14.340 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 13 . 3313 . 1 1 15 THR O O 17.872 20.208 -13.963 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 13 . 3314 . 1 1 15 THR OXT O 16.790 19.726 -15.795 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 13 . 3315 . 1 1 15 THR OG1 O 18.474 18.026 -17.825 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 14 . 3316 . 1 1 1 ASP C C -1.177 1.580 -3.229 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 14 . 3317 . 1 1 1 ASP CA C -1.675 0.216 -2.766 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 14 . 3318 . 1 1 1 ASP CB C -1.144 -0.895 -3.687 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 14 . 3319 . 1 1 1 ASP CG C -1.411 -2.279 -3.086 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 14 . 3320 . 1 1 1 ASP H1 H -3.536 0.490 -3.583 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 14 . 3321 . 1 1 1 ASP H2 H -3.467 0.872 -1.995 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 14 . 3322 . 1 1 1 ASP H3 H -3.484 -0.713 -2.458 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 14 . 3323 . 1 1 1 ASP HA H -1.285 0.027 -1.765 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 14 . 3324 . 1 1 1 ASP HB2 H -1.619 -0.822 -4.668 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3325 . 1 1 1 ASP HB3 H -0.068 -0.763 -3.824 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3326 . 1 1 1 ASP N N -3.155 0.214 -2.691 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 14 . 3327 . 1 1 1 ASP O O -1.882 2.295 -3.944 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 14 . 3328 . 1 1 1 ASP OD1 O -2.589 -2.575 -2.774 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3329 . 1 1 1 ASP OD2 O -0.452 -3.067 -2.911 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3330 . 1 1 2 TRP C C 1.244 3.380 -4.553 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 14 . 3331 . 1 1 2 TRP CA C 0.659 3.257 -3.138 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 14 . 3332 . 1 1 2 TRP CB C 1.647 3.589 -2.005 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 14 . 3333 . 1 1 2 TRP CD1 C 2.787 1.516 -1.056 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3334 . 1 1 2 TRP CD2 C 4.123 2.694 -2.412 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3335 . 1 1 2 TRP CE2 C 4.870 1.555 -1.990 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3336 . 1 1 2 TRP CE3 C 4.771 3.607 -3.269 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 14 . 3337 . 1 1 2 TRP CG C 2.790 2.632 -1.821 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 14 . 3338 . 1 1 2 TRP CH2 C 6.795 2.244 -3.289 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 14 . 3339 . 1 1 2 TRP CZ2 C 6.188 1.327 -2.418 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 14 . 3340 . 1 1 2 TRP CZ3 C 6.088 3.384 -3.714 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 14 . 3341 . 1 1 2 TRP H H 0.625 1.296 -2.339 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 14 . 3342 . 1 1 2 TRP HA H -0.134 3.992 -3.129 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 14 . 3343 . 1 1 2 TRP HB2 H 2.057 4.585 -2.181 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3344 . 1 1 2 TRP HB3 H 1.091 3.644 -1.067 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3345 . 1 1 2 TRP HD1 H 1.953 1.170 -0.457 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3346 . 1 1 2 TRP HE1 H 4.217 0.013 -0.664 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3347 . 1 1 2 TRP HE3 H 4.229 4.486 -3.587 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 14 . 3348 . 1 1 2 TRP HH2 H 7.806 2.065 -3.623 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 14 . 3349 . 1 1 2 TRP HZ2 H 6.738 0.457 -2.091 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 14 . 3350 . 1 1 2 TRP HZ3 H 6.553 4.091 -4.388 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 14 . 3351 . 1 1 2 TRP N N 0.057 1.946 -2.865 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 14 . 3352 . 1 1 2 TRP NE1 N 4.006 0.876 -1.155 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3353 . 1 1 2 TRP O O 2.141 4.184 -4.808 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 14 . 3354 . 1 1 3 GLU C C 0.708 3.813 -7.567 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 14 . 3355 . 1 1 3 GLU CA C 1.167 2.532 -6.862 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 14 . 3356 . 1 1 3 GLU CB C 0.625 1.263 -7.528 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 14 . 3357 . 1 1 3 GLU CD C 2.710 0.639 -8.868 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 14 . 3358 . 1 1 3 GLU CG C 1.214 0.994 -8.921 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 14 . 3359 . 1 1 3 GLU H H -0.129 2.111 -5.220 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 14 . 3360 . 1 1 3 GLU HA H 2.249 2.474 -6.870 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 14 . 3361 . 1 1 3 GLU HB2 H 0.831 0.407 -6.884 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3362 . 1 1 3 GLU HB3 H -0.451 1.365 -7.616 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3363 . 1 1 3 GLU HG2 H 0.667 0.163 -9.370 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 14 . 3364 . 1 1 3 GLU HG3 H 1.059 1.866 -9.559 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 14 . 3365 . 1 1 3 GLU N N 0.724 2.582 -5.478 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 14 . 3366 . 1 1 3 GLU O O -0.475 4.163 -7.516 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 14 . 3367 . 1 1 3 GLU OE1 O 3.044 -0.559 -8.703 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3368 . 1 1 3 GLU OE2 O 3.562 1.549 -9.003 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3369 . 1 1 4 TYR C C 1.506 5.532 -10.463 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 14 . 3370 . 1 1 4 TYR CA C 1.381 5.751 -8.949 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 14 . 3371 . 1 1 4 TYR CB C 2.321 6.862 -8.457 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 14 . 3372 . 1 1 4 TYR CD1 C 0.597 8.370 -7.362 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3373 . 1 1 4 TYR CD2 C 2.094 9.325 -9.028 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3374 . 1 1 4 TYR CE1 C -0.031 9.618 -7.205 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3375 . 1 1 4 TYR CE2 C 1.473 10.578 -8.878 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3376 . 1 1 4 TYR CG C 1.656 8.216 -8.279 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 14 . 3377 . 1 1 4 TYR CZ C 0.403 10.730 -7.965 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 14 . 3378 . 1 1 4 TYR H H 2.594 4.174 -8.221 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 14 . 3379 . 1 1 4 TYR HA H 0.368 6.087 -8.756 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 14 . 3380 . 1 1 4 TYR HB2 H 2.766 6.573 -7.504 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3381 . 1 1 4 TYR HB3 H 3.115 6.958 -9.191 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3382 . 1 1 4 TYR HD1 H 0.262 7.526 -6.775 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3383 . 1 1 4 TYR HD2 H 2.921 9.224 -9.712 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3384 . 1 1 4 TYR HE1 H -0.845 9.727 -6.501 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3385 . 1 1 4 TYR HE2 H 1.822 11.422 -9.458 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3386 . 1 1 4 TYR HH H 0.159 12.637 -8.369 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 14 . 3387 . 1 1 4 TYR N N 1.642 4.517 -8.211 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 14 . 3388 . 1 1 4 TYR O O 1.842 4.436 -10.923 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 14 . 3389 . 1 1 4 TYR OH O -0.210 11.939 -7.807 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 14 . 3390 . 1 1 5 HIS C C 2.628 7.465 -13.015 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 14 . 3391 . 1 1 5 HIS CA C 1.381 6.637 -12.673 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 14 . 3392 . 1 1 5 HIS CB C 0.098 7.222 -13.305 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 14 . 3393 . 1 1 5 HIS CD2 C -1.188 5.242 -14.303 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3394 . 1 1 5 HIS CE1 C -0.907 5.638 -16.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3395 . 1 1 5 HIS CG C -0.439 6.381 -14.437 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 14 . 3396 . 1 1 5 HIS H H 1.076 7.469 -10.740 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 14 . 3397 . 1 1 5 HIS HA H 1.515 5.626 -13.055 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 14 . 3398 . 1 1 5 HIS HB2 H -0.674 7.314 -12.543 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3399 . 1 1 5 HIS HB3 H 0.275 8.229 -13.686 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3400 . 1 1 5 HIS HD1 H 0.226 7.393 -16.212 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3401 . 1 1 5 HIS HD2 H -1.506 4.779 -13.376 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3402 . 1 1 5 HIS HE1 H -0.961 5.550 -17.543 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3403 . 1 1 5 HIS HE2 H -2.014 3.965 -15.816 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3404 . 1 1 5 HIS N N 1.255 6.599 -11.221 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 14 . 3405 . 1 1 5 HIS ND1 N -0.273 6.617 -15.792 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 14 . 3406 . 1 1 5 HIS NE2 N -1.470 4.790 -15.580 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3407 . 1 1 5 HIS O O 3.623 6.943 -13.521 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 14 . 3408 . 1 1 6 ALA C C 4.669 9.704 -11.772 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 14 . 3409 . 1 1 6 ALA CA C 3.673 9.720 -12.934 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 14 . 3410 . 1 1 6 ALA CB C 3.073 11.110 -13.180 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 14 . 3411 . 1 1 6 ALA H H 1.763 9.103 -12.225 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 14 . 3412 . 1 1 6 ALA HA H 4.217 9.407 -13.831 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 14 . 3413 . 1 1 6 ALA HB1 H 2.542 11.451 -12.290 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 14 . 3414 . 1 1 6 ALA HB2 H 3.876 11.815 -13.401 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3415 . 1 1 6 ALA HB3 H 2.388 11.077 -14.027 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3416 . 1 1 6 ALA N N 2.598 8.761 -12.679 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 14 . 3417 . 1 1 6 ALA O O 4.895 10.714 -11.101 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 14 . 3418 . 1 1 7 HIS C C 7.428 9.171 -10.613 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 14 . 3419 . 1 1 7 HIS CA C 6.194 8.254 -10.483 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 14 . 3420 . 1 1 7 HIS CB C 6.613 6.776 -10.527 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 14 . 3421 . 1 1 7 HIS CD2 C 6.061 5.061 -12.351 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3422 . 1 1 7 HIS CE1 C 7.164 5.934 -14.062 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3423 . 1 1 7 HIS CG C 6.731 6.170 -11.909 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 14 . 3424 . 1 1 7 HIS H H 4.925 7.731 -12.066 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 14 . 3425 . 1 1 7 HIS HA H 5.700 8.433 -9.534 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 14 . 3426 . 1 1 7 HIS HB2 H 7.577 6.687 -10.037 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3427 . 1 1 7 HIS HB3 H 5.913 6.211 -9.915 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3428 . 1 1 7 HIS HD1 H 7.995 7.538 -12.985 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3429 . 1 1 7 HIS HD2 H 5.389 4.436 -11.775 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3430 . 1 1 7 HIS HE1 H 7.515 6.129 -15.067 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3431 . 1 1 7 HIS HE2 H 5.972 4.215 -14.320 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3432 . 1 1 7 HIS N N 5.202 8.516 -11.502 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 14 . 3433 . 1 1 7 HIS ND1 N 7.428 6.697 -12.985 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 14 . 3434 . 1 1 7 HIS NE2 N 6.349 4.924 -13.697 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3435 . 1 1 7 HIS O O 7.762 9.606 -11.726 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 14 . 3436 . 1 1 8 PRO C C 10.474 9.810 -10.200 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 14 . 3437 . 1 1 8 PRO CA C 9.265 10.322 -9.414 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 14 . 3438 . 1 1 8 PRO CB C 9.566 10.463 -7.919 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 14 . 3439 . 1 1 8 PRO CD C 7.878 8.815 -8.189 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 14 . 3440 . 1 1 8 PRO CG C 9.068 9.161 -7.307 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 14 . 3441 . 1 1 8 PRO HA H 8.980 11.298 -9.813 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 14 . 3442 . 1 1 8 PRO HB2 H 10.626 10.574 -7.728 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3443 . 1 1 8 PRO HB3 H 9.004 11.306 -7.513 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3444 . 1 1 8 PRO HD2 H 7.775 7.734 -8.257 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3445 . 1 1 8 PRO HD3 H 6.972 9.248 -7.780 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 14 . 3446 . 1 1 8 PRO HG2 H 9.834 8.390 -7.406 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 14 . 3447 . 1 1 8 PRO HG3 H 8.778 9.286 -6.263 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 14 . 3448 . 1 1 8 PRO N N 8.136 9.411 -9.493 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 14 . 3449 . 1 1 8 PRO O O 10.641 8.611 -10.433 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 14 . 3450 . 1 1 9 LYS C C 13.730 10.329 -10.353 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 14 . 3451 . 1 1 9 LYS CA C 12.557 10.531 -11.337 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 14 . 3452 . 1 1 9 LYS CB C 12.775 11.751 -12.251 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 14 . 3453 . 1 1 9 LYS CD C 10.541 11.629 -13.549 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 14 . 3454 . 1 1 9 LYS CE C 9.882 11.671 -14.937 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 14 . 3455 . 1 1 9 LYS CG C 12.079 11.670 -13.621 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 14 . 3456 . 1 1 9 LYS H H 11.157 11.713 -10.321 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 14 . 3457 . 1 1 9 LYS HA H 12.457 9.633 -11.947 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 14 . 3458 . 1 1 9 LYS HB2 H 12.450 12.652 -11.731 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3459 . 1 1 9 LYS HB3 H 13.837 11.868 -12.429 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3460 . 1 1 9 LYS HD2 H 10.235 10.699 -13.069 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3461 . 1 1 9 LYS HD3 H 10.176 12.462 -12.945 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 14 . 3462 . 1 1 9 LYS HE2 H 10.316 10.886 -15.561 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3463 . 1 1 9 LYS HE3 H 8.818 11.455 -14.818 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 14 . 3464 . 1 1 9 LYS HG2 H 12.384 12.546 -14.193 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 14 . 3465 . 1 1 9 LYS HG3 H 12.435 10.784 -14.149 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 14 . 3466 . 1 1 9 LYS HZ1 H 9.620 13.724 -15.056 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 14 . 3467 . 1 1 9 LYS HZ2 H 9.560 12.976 -16.506 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 14 . 3468 . 1 1 9 LYS HZ3 H 11.001 13.206 -15.774 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 14 . 3469 . 1 1 9 LYS N N 11.322 10.757 -10.599 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 14 . 3470 . 1 1 9 LYS NZ N 10.029 12.985 -15.611 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 14 . 3471 . 1 1 9 LYS O O 13.598 10.669 -9.172 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 14 . 3472 . 1 1 10 HYP C C 16.842 10.791 -9.733 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 14 . 3473 . 1 1 10 HYP CA C 16.032 9.502 -9.967 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 14 . 3474 . 1 1 10 HYP CB C 16.770 8.370 -10.696 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 14 . 3475 . 1 1 10 HYP CD C 15.107 9.298 -12.165 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 14 . 3476 . 1 1 10 HYP CG C 16.506 8.676 -12.170 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 14 . 3477 . 1 1 10 HYP HA H 15.705 9.128 -8.996 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 14 . 3478 . 1 1 10 HYP HB2 H 17.835 8.334 -10.463 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3479 . 1 1 10 HYP HB3 H 16.307 7.419 -10.429 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3480 . 1 1 10 HYP HD1 H 16.490 7.776 -13.889 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3481 . 1 1 10 HYP HD22 H 14.351 8.552 -12.413 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 14 . 3482 . 1 1 10 HYP HD23 H 15.078 10.117 -12.885 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 14 . 3483 . 1 1 10 HYP HG H 17.231 9.408 -12.523 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 14 . 3484 . 1 1 10 HYP N N 14.876 9.787 -10.810 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 14 . 3485 . 1 1 10 HYP O O 16.382 11.686 -9.022 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 14 . 3486 . 1 1 10 HYP OD1 O 16.559 7.503 -12.954 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3487 . 1 1 11 ASN C C 18.546 13.265 -10.993 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 14 . 3488 . 1 1 11 ASN CA C 18.961 12.047 -10.153 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 14 . 3489 . 1 1 11 ASN CB C 20.405 11.592 -10.420 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 14 . 3490 . 1 1 11 ASN CG C 20.721 11.314 -11.895 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 14 . 3491 . 1 1 11 ASN H H 18.332 10.202 -10.964 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 14 . 3492 . 1 1 11 ASN HA H 18.913 12.347 -9.105 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 14 . 3493 . 1 1 11 ASN HB2 H 21.065 12.376 -10.052 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3494 . 1 1 11 ASN HB3 H 20.611 10.696 -9.835 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3495 . 1 1 11 ASN HD21 H 22.355 12.523 -11.862 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 14 . 3496 . 1 1 11 ASN HD22 H 22.027 11.723 -13.397 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 14 . 3497 . 1 1 11 ASN N N 18.032 10.926 -10.328 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 14 . 3498 . 1 1 11 ASN ND2 N 21.795 11.890 -12.425 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 14 . 3499 . 1 1 11 ASN O O 19.346 13.883 -11.695 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 14 . 3500 . 1 1 11 ASN OD1 O 20.008 10.565 -12.563 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3501 . 1 1 12 SER C C 17.272 16.042 -11.479 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 14 . 3502 . 1 1 12 SER CA C 16.642 14.660 -11.722 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 14 . 3503 . 1 1 12 SER CB C 15.138 14.640 -11.404 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 14 . 3504 . 1 1 12 SER H H 16.683 13.105 -10.270 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 14 . 3505 . 1 1 12 SER HA H 16.805 14.400 -12.762 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 14 . 3506 . 1 1 12 SER HB2 H 14.813 13.604 -11.317 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3507 . 1 1 12 SER HB3 H 14.973 15.119 -10.439 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3508 . 1 1 12 SER HG H 14.620 16.189 -12.502 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 14 . 3509 . 1 1 12 SER N N 17.268 13.622 -10.915 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 14 . 3510 . 1 1 12 SER O O 17.227 16.907 -12.355 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 14 . 3511 . 1 1 12 SER OG O 14.343 15.256 -12.406 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 14 . 3512 . 1 1 13 . C C 19.790 17.847 -10.688 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 14 . 3513 . 1 1 13 . CA C 18.576 17.431 -9.833 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 14 . 3514 . 1 1 13 . CB C 17.570 18.568 -9.704 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 14 . 3515 . 1 1 13 . CD1 C 16.863 18.628 -7.269 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3516 . 1 1 13 . CD2 C 15.237 17.926 -8.941 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3517 . 1 1 13 . CE1 C 15.905 18.433 -6.258 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3518 . 1 1 13 . CE2 C 14.280 17.731 -7.929 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3519 . 1 1 13 . CG C 16.532 18.375 -8.614 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 14 . 3520 . 1 1 13 . CZ C 14.614 17.984 -6.587 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 14 . 3521 . 1 1 13 . H H 17.851 15.453 -9.668 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 14 . 3522 . 1 1 13 . HA H 18.964 17.214 -8.837 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 14 . 3523 . 1 1 13 . HB2 H 17.073 18.719 -10.656 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3524 . 1 1 13 . HB3 H 18.155 19.452 -9.507 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3525 . 1 1 13 . HD1 H 17.855 18.971 -7.007 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3526 . 1 1 13 . HD2 H 14.972 17.729 -9.971 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3527 . 1 1 13 . HE1 H 16.163 18.628 -5.225 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3528 . 1 1 13 . HE2 H 13.287 17.386 -8.184 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3529 . 1 1 13 . HZ H 13.877 17.834 -5.808 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 14 . 3530 . 1 1 13 . N N 17.895 16.224 -10.307 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 14 . 3531 . 1 1 13 . O O 20.352 18.932 -10.516 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 14 . 3532 . 1 1 14 TRP C C 21.014 17.496 -13.889 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 14 . 3533 . 1 1 14 TRP CA C 21.373 17.100 -12.449 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 14 . 3534 . 1 1 14 TRP CB C 22.108 15.756 -12.416 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 14 . 3535 . 1 1 14 TRP CD1 C 22.039 14.980 -9.984 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3536 . 1 1 14 TRP CD2 C 24.116 15.374 -10.712 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 14 . 3537 . 1 1 14 TRP CE2 C 24.232 14.944 -9.357 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 14 . 3538 . 1 1 14 TRP CE3 C 25.307 15.706 -11.387 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 14 . 3539 . 1 1 14 TRP CG C 22.708 15.376 -11.092 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 14 . 3540 . 1 1 14 TRP CH2 C 26.644 15.168 -9.415 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 14 . 3541 . 1 1 14 TRP CZ2 C 25.473 14.837 -8.710 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 14 . 3542 . 1 1 14 TRP CZ3 C 26.559 15.604 -10.750 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 14 . 3543 . 1 1 14 TRP H H 19.699 16.109 -11.649 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 14 . 3544 . 1 1 14 TRP HA H 22.023 17.876 -12.053 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 14 . 3545 . 1 1 14 TRP HB2 H 21.426 14.965 -12.741 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 14 . 3546 . 1 1 14 TRP HB3 H 22.916 15.810 -13.142 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 14 . 3547 . 1 1 14 TRP HD1 H 20.964 14.890 -9.905 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 14 . 3548 . 1 1 14 TRP HE1 H 22.638 14.410 -8.041 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3549 . 1 1 14 TRP HE3 H 25.239 16.048 -12.410 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 14 . 3550 . 1 1 14 TRP HH2 H 27.608 15.092 -8.930 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 14 . 3551 . 1 1 14 TRP HZ2 H 25.528 14.507 -7.682 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 14 . 3552 . 1 1 14 TRP HZ3 H 27.460 15.864 -11.291 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 14 . 3553 . 1 1 14 TRP N N 20.207 16.972 -11.594 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 14 . 3554 . 1 1 14 TRP NE1 N 22.930 14.716 -8.963 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 14 . 3555 . 1 1 14 TRP O O 21.917 17.711 -14.703 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 14 . 3556 . 1 1 15 THR C C 18.143 18.995 -15.466 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 14 . 3557 . 1 1 15 THR CA C 19.210 17.887 -15.550 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 14 . 3558 . 1 1 15 THR CB C 18.723 16.580 -16.227 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 14 . 3559 . 1 1 15 THR CG2 C 19.913 15.770 -16.765 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 14 . 3560 . 1 1 15 THR H H 19.037 17.438 -13.489 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 14 . 3561 . 1 1 15 THR HA H 20.017 18.296 -16.158 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 14 . 3562 . 1 1 15 THR HB H 18.087 16.835 -17.076 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 14 . 3563 . 1 1 15 THR HG1 H 17.533 15.065 -15.865 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 14 . 3564 . 1 1 15 THR HG21 H 20.557 15.441 -15.949 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 14 . 3565 . 1 1 15 THR HG22 H 20.496 16.384 -17.453 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 14 . 3566 . 1 1 15 THR HG23 H 19.552 14.896 -17.308 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 14 . 3567 . 1 1 15 THR N N 19.725 17.584 -14.215 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 14 . 3568 . 1 1 15 THR O O 17.459 19.262 -16.481 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 14 . 3569 . 1 1 15 THR OXT O 18.038 19.671 -14.413 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 14 . 3570 . 1 1 15 THR OG1 O 17.997 15.740 -15.337 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 15 . 3571 . 1 1 1 ASP C C -1.101 1.617 -3.136 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 15 . 3572 . 1 1 1 ASP CA C -1.605 0.263 -2.650 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 15 . 3573 . 1 1 1 ASP CB C -1.095 -0.863 -3.563 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 15 . 3574 . 1 1 1 ASP CG C -1.364 -2.238 -2.941 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 15 . 3575 . 1 1 1 ASP H1 H -3.475 0.543 -3.445 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 15 . 3576 . 1 1 1 ASP H2 H -3.381 0.945 -1.864 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 15 . 3577 . 1 1 1 ASP H3 H -3.418 -0.645 -2.306 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 15 . 3578 . 1 1 1 ASP HA H -1.204 0.083 -1.652 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 15 . 3579 . 1 1 1 ASP HB2 H -1.581 -0.800 -4.539 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3580 . 1 1 1 ASP HB3 H -0.020 -0.742 -3.715 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3581 . 1 1 1 ASP N N -3.084 0.275 -2.555 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 15 . 3582 . 1 1 1 ASP O O -1.811 2.332 -3.847 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 15 . 3583 . 1 1 1 ASP OD1 O -2.541 -2.521 -2.612 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3584 . 1 1 1 ASP OD2 O -0.409 -3.031 -2.767 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3585 . 1 1 2 TRP C C 1.307 3.384 -4.520 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 15 . 3586 . 1 1 2 TRP CA C 0.753 3.276 -3.091 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 15 . 3587 . 1 1 2 TRP CB C 1.771 3.604 -1.983 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 15 . 3588 . 1 1 2 TRP CD1 C 2.926 1.522 -1.073 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3589 . 1 1 2 TRP CD2 C 4.239 2.714 -2.439 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3590 . 1 1 2 TRP CE2 C 4.994 1.571 -2.039 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3591 . 1 1 2 TRP CE3 C 4.873 3.636 -3.296 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 15 . 3592 . 1 1 2 TRP CG C 2.916 2.645 -1.828 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 15 . 3593 . 1 1 2 TRP CH2 C 6.897 2.275 -3.361 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 15 . 3594 . 1 1 2 TRP CZ2 C 6.305 1.349 -2.490 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 15 . 3595 . 1 1 2 TRP CZ3 C 6.183 3.418 -3.764 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 15 . 3596 . 1 1 2 TRP H H 0.713 1.321 -2.277 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 15 . 3597 . 1 1 2 TRP HA H -0.030 4.022 -3.066 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 15 . 3598 . 1 1 2 TRP HB2 H 2.178 4.599 -2.170 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3599 . 1 1 2 TRP HB3 H 1.239 3.661 -1.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3600 . 1 1 2 TRP HD1 H 2.103 1.170 -0.463 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3601 . 1 1 2 TRP HE1 H 4.363 0.016 -0.720 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3602 . 1 1 2 TRP HE3 H 4.324 4.517 -3.599 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 15 . 3603 . 1 1 2 TRP HH2 H 7.904 2.100 -3.713 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 15 . 3604 . 1 1 2 TRP HZ2 H 6.861 0.477 -2.180 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 15 . 3605 . 1 1 2 TRP HZ3 H 6.637 4.132 -4.438 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 15 . 3606 . 1 1 2 TRP N N 0.142 1.973 -2.798 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 15 . 3607 . 1 1 2 TRP NE1 N 4.143 0.883 -1.199 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3608 . 1 1 2 TRP O O 2.220 4.163 -4.795 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 15 . 3609 . 1 1 3 GLU C C 0.707 3.836 -7.519 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 15 . 3610 . 1 1 3 GLU CA C 1.153 2.544 -6.827 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 15 . 3611 . 1 1 3 GLU CB C 0.566 1.289 -7.482 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 15 . 3612 . 1 1 3 GLU CD C 2.603 0.610 -8.868 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 15 . 3613 . 1 1 3 GLU CG C 1.117 1.009 -8.888 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 15 . 3614 . 1 1 3 GLU H H -0.115 2.152 -5.157 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 15 . 3615 . 1 1 3 GLU HA H 2.234 2.461 -6.861 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 15 . 3616 . 1 1 3 GLU HB2 H 0.766 0.428 -6.843 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3617 . 1 1 3 GLU HB3 H -0.509 1.417 -7.545 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3618 . 1 1 3 GLU HG2 H 0.536 0.195 -9.327 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 15 . 3619 . 1 1 3 GLU HG3 H 0.973 1.887 -9.520 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 15 . 3620 . 1 1 3 GLU N N 0.744 2.602 -5.433 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 15 . 3621 . 1 1 3 GLU O O -0.471 4.203 -7.456 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 15 . 3622 . 1 1 3 GLU OE1 O 2.905 -0.598 -8.715 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3623 . 1 1 3 GLU OE2 O 3.478 1.495 -9.020 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3624 . 1 1 4 TYR C C 1.507 5.550 -10.414 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 15 . 3625 . 1 1 4 TYR CA C 1.394 5.771 -8.900 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 15 . 3626 . 1 1 4 TYR CB C 2.350 6.870 -8.415 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 15 . 3627 . 1 1 4 TYR CD1 C 0.653 8.400 -7.309 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3628 . 1 1 4 TYR CD2 C 2.144 9.334 -8.991 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3629 . 1 1 4 TYR CE1 C 0.037 9.655 -7.151 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3630 . 1 1 4 TYR CE2 C 1.535 10.592 -8.841 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3631 . 1 1 4 TYR CG C 1.701 8.232 -8.234 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 15 . 3632 . 1 1 4 TYR CZ C 0.475 10.759 -7.920 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 15 . 3633 . 1 1 4 TYR H H 2.592 4.180 -8.180 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 15 . 3634 . 1 1 4 TYR HA H 0.386 6.118 -8.702 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 15 . 3635 . 1 1 4 TYR HB2 H 2.797 6.576 -7.464 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3636 . 1 1 4 TYR HB3 H 3.139 6.957 -9.155 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3637 . 1 1 4 TYR HD1 H 0.315 7.561 -6.715 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3638 . 1 1 4 TYR HD2 H 2.964 9.223 -9.682 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3639 . 1 1 4 TYR HE1 H -0.770 9.769 -6.439 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3640 . 1 1 4 TYR HE2 H 1.884 11.433 -9.425 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3641 . 1 1 4 TYR HH H -0.826 11.995 -7.121 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 15 . 3642 . 1 1 4 TYR N N 1.645 4.533 -8.165 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 15 . 3643 . 1 1 4 TYR O O 1.839 4.454 -10.877 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 15 . 3644 . 1 1 4 TYR OH O -0.112 11.982 -7.777 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 15 . 3645 . 1 1 5 HIS C C 2.630 7.466 -12.968 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 15 . 3646 . 1 1 5 HIS CA C 1.372 6.658 -12.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 15 . 3647 . 1 1 5 HIS CB C 0.095 7.265 -13.244 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 15 . 3648 . 1 1 5 HIS CD2 C -1.226 5.310 -14.246 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3649 . 1 1 5 HIS CE1 C -0.949 5.713 -16.407 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3650 . 1 1 5 HIS CG C -0.460 6.437 -14.378 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 15 . 3651 . 1 1 5 HIS H H 1.087 7.489 -10.685 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 15 . 3652 . 1 1 5 HIS HA H 1.487 5.646 -13.006 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 15 . 3653 . 1 1 5 HIS HB2 H -0.673 7.364 -12.478 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3654 . 1 1 5 HIS HB3 H 0.284 8.271 -13.622 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3655 . 1 1 5 HIS HD1 H 0.211 7.449 -16.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3656 . 1 1 5 HIS HD2 H -1.545 4.847 -13.319 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3657 . 1 1 5 HIS HE1 H -1.010 5.632 -17.486 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3658 . 1 1 5 HIS HE2 H -2.078 4.053 -15.762 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3659 . 1 1 5 HIS N N 1.254 6.619 -11.169 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 15 . 3660 . 1 1 5 HIS ND1 N -0.296 6.679 -15.732 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 15 . 3661 . 1 1 5 HIS NE2 N -1.521 4.869 -15.524 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3662 . 1 1 5 HIS O O 3.617 6.927 -13.472 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 15 . 3663 . 1 1 6 ALA C C 4.695 9.727 -11.760 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 15 . 3664 . 1 1 6 ALA CA C 3.701 9.708 -12.923 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 15 . 3665 . 1 1 6 ALA CB C 3.109 11.092 -13.220 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 15 . 3666 . 1 1 6 ALA H H 1.790 9.121 -12.184 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 15 . 3667 . 1 1 6 ALA HA H 4.246 9.358 -13.805 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 15 . 3668 . 1 1 6 ALA HB1 H 2.578 11.467 -12.344 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 15 . 3669 . 1 1 6 ALA HB2 H 3.917 11.783 -13.465 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3670 . 1 1 6 ALA HB3 H 2.426 11.032 -14.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3671 . 1 1 6 ALA N N 2.619 8.764 -12.640 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 15 . 3672 . 1 1 6 ALA O O 4.935 10.762 -11.132 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 15 . 3673 . 1 1 7 HIS C C 7.468 9.200 -10.625 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 15 . 3674 . 1 1 7 HIS CA C 6.214 8.323 -10.419 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 15 . 3675 . 1 1 7 HIS CB C 6.596 6.836 -10.366 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 15 . 3676 . 1 1 7 HIS CD2 C 5.923 5.033 -12.060 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3677 . 1 1 7 HIS CE1 C 7.032 5.736 -13.845 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3678 . 1 1 7 HIS CG C 6.659 6.131 -11.703 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 15 . 3679 . 1 1 7 HIS H H 4.938 7.741 -11.975 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 15 . 3680 . 1 1 7 HIS HA H 5.735 8.577 -9.481 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 15 . 3681 . 1 1 7 HIS HB2 H 7.569 6.757 -9.893 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3682 . 1 1 7 HIS HB3 H 5.897 6.336 -9.698 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3683 . 1 1 7 HIS HD1 H 7.968 7.359 -12.890 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3684 . 1 1 7 HIS HD2 H 5.229 4.485 -11.434 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3685 . 1 1 7 HIS HE1 H 7.366 5.850 -14.868 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3686 . 1 1 7 HIS HE2 H 5.746 4.070 -13.968 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3687 . 1 1 7 HIS N N 5.216 8.545 -11.441 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 15 . 3688 . 1 1 7 HIS ND1 N 7.359 6.550 -12.825 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 15 . 3689 . 1 1 7 HIS NE2 N 6.175 4.795 -13.400 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3690 . 1 1 7 HIS O O 7.795 9.552 -11.768 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 15 . 3691 . 1 1 8 PRO C C 10.550 9.775 -10.259 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 15 . 3692 . 1 1 8 PRO CA C 9.350 10.382 -9.531 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 15 . 3693 . 1 1 8 PRO CB C 9.651 10.643 -8.053 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 15 . 3694 . 1 1 8 PRO CD C 7.938 9.002 -8.188 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 15 . 3695 . 1 1 8 PRO CG C 9.133 9.403 -7.336 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 15 . 3696 . 1 1 8 PRO HA H 9.095 11.327 -10.016 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 15 . 3697 . 1 1 8 PRO HB2 H 10.712 10.754 -7.868 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3698 . 1 1 8 PRO HB3 H 9.102 11.526 -7.721 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3699 . 1 1 8 PRO HD2 H 7.825 7.919 -8.176 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3700 . 1 1 8 PRO HD3 H 7.039 9.475 -7.810 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 15 . 3701 . 1 1 8 PRO HG2 H 9.889 8.616 -7.370 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 15 . 3702 . 1 1 8 PRO HG3 H 8.845 9.617 -6.306 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 15 . 3703 . 1 1 8 PRO N N 8.198 9.496 -9.534 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 15 . 3704 . 1 1 8 PRO O O 10.694 8.557 -10.379 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 15 . 3705 . 1 1 9 LYS C C 13.834 10.318 -10.386 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 15 . 3706 . 1 1 9 LYS CA C 12.673 10.362 -11.401 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 15 . 3707 . 1 1 9 LYS CB C 12.881 11.465 -12.447 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 15 . 3708 . 1 1 9 LYS CD C 12.259 12.361 -14.732 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 15 . 3709 . 1 1 9 LYS CE C 11.476 12.135 -16.035 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 15 . 3710 . 1 1 9 LYS CG C 12.025 11.243 -13.703 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 15 . 3711 . 1 1 9 LYS H H 11.269 11.647 -10.552 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 15 . 3712 . 1 1 9 LYS HA H 12.594 9.394 -11.896 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 15 . 3713 . 1 1 9 LYS HB2 H 12.630 12.425 -11.998 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3714 . 1 1 9 LYS HB3 H 13.926 11.499 -12.727 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3715 . 1 1 9 LYS HD2 H 11.986 13.325 -14.300 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3716 . 1 1 9 LYS HD3 H 13.322 12.389 -14.979 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 15 . 3717 . 1 1 9 LYS HE2 H 11.813 12.868 -16.771 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3718 . 1 1 9 LYS HE3 H 11.709 11.140 -16.422 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 15 . 3719 . 1 1 9 LYS HG2 H 12.289 10.284 -14.151 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 15 . 3720 . 1 1 9 LYS HG3 H 10.971 11.223 -13.421 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 15 . 3721 . 1 1 9 LYS HZ1 H 9.648 11.580 -15.221 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 15 . 3722 . 1 1 9 LYS HZ2 H 9.539 12.140 -16.751 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 15 . 3723 . 1 1 9 LYS HZ3 H 9.767 13.189 -15.521 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 15 . 3724 . 1 1 9 LYS N N 11.423 10.666 -10.726 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 15 . 3725 . 1 1 9 LYS NZ N 10.007 12.270 -15.865 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 15 . 3726 . 1 1 9 LYS O O 13.700 10.866 -9.287 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 15 . 3727 . 1 1 10 HYP C C 16.939 10.827 -9.793 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 15 . 3728 . 1 1 10 HYP CA C 16.113 9.531 -9.836 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 15 . 3729 . 1 1 10 HYP CB C 16.855 8.296 -10.365 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 15 . 3730 . 1 1 10 HYP CD C 15.208 8.982 -11.985 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 15 . 3731 . 1 1 10 HYP CG C 16.589 8.332 -11.870 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 15 . 3732 . 1 1 10 HYP HA H 15.765 9.317 -8.824 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 15 . 3733 . 1 1 10 HYP HB2 H 17.920 8.309 -10.131 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3734 . 1 1 10 HYP HB3 H 16.402 7.405 -9.933 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3735 . 1 1 10 HYP HD1 H 16.542 7.129 -13.393 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3736 . 1 1 10 HYP HD22 H 14.434 8.225 -12.119 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 15 . 3737 . 1 1 10 HYP HD23 H 15.206 9.675 -12.828 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 15 . 3738 . 1 1 10 HYP HG H 17.332 8.965 -12.354 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 15 . 3739 . 1 1 10 HYP N N 14.974 9.691 -10.732 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 15 . 3740 . 1 1 10 HYP O O 16.573 11.772 -9.096 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 15 . 3741 . 1 1 10 HYP OD1 O 16.609 7.032 -12.424 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3742 . 1 1 11 ASN C C 18.550 13.229 -11.336 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 15 . 3743 . 1 1 11 ASN CA C 19.017 12.000 -10.539 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 15 . 3744 . 1 1 11 ASN CB C 20.388 11.491 -11.011 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 15 . 3745 . 1 1 11 ASN CG C 20.477 11.217 -12.518 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 15 . 3746 . 1 1 11 ASN H H 18.258 10.118 -11.143 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 15 . 3747 . 1 1 11 ASN HA H 19.135 12.318 -9.502 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 15 . 3748 . 1 1 11 ASN HB2 H 21.120 12.251 -10.743 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3749 . 1 1 11 ASN HB3 H 20.641 10.584 -10.463 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3750 . 1 1 11 ASN HD21 H 22.309 12.091 -12.652 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 15 . 3751 . 1 1 11 ASN HD22 H 21.659 11.443 -14.156 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 15 . 3752 . 1 1 11 ASN N N 18.042 10.903 -10.544 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 15 . 3753 . 1 1 11 ASN ND2 N 21.573 11.611 -13.159 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 15 . 3754 . 1 1 11 ASN O O 19.331 13.892 -12.018 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 15 . 3755 . 1 1 11 ASN OD1 O 19.572 10.636 -13.115 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3756 . 1 1 12 SER C C 17.276 16.009 -11.584 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 15 . 3757 . 1 1 12 SER CA C 16.635 14.660 -11.952 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 15 . 3758 . 1 1 12 SER CB C 15.125 14.619 -11.655 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 15 . 3759 . 1 1 12 SER H H 16.703 13.008 -10.601 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 15 . 3760 . 1 1 12 SER HA H 16.811 14.491 -13.006 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 15 . 3761 . 1 1 12 SER HB2 H 14.774 13.592 -11.761 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3762 . 1 1 12 SER HB3 H 14.958 14.930 -10.622 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3763 . 1 1 12 SER HG H 14.446 15.119 -13.436 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 15 . 3764 . 1 1 12 SER N N 17.265 13.555 -11.238 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 15 . 3765 . 1 1 12 SER O O 17.341 16.922 -12.410 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 15 . 3766 . 1 1 12 SER OG O 14.352 15.439 -12.517 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 15 . 3767 . 1 1 13 . C C 19.766 17.700 -10.497 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 15 . 3768 . 1 1 13 . CA C 18.485 17.256 -9.762 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 15 . 3769 . 1 1 13 . CB C 17.492 18.405 -9.638 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 15 . 3770 . 1 1 13 . CD1 C 15.116 17.701 -9.090 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3771 . 1 1 13 . CD2 C 16.583 18.387 -7.271 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3772 . 1 1 13 . CE1 C 14.084 17.458 -8.166 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3773 . 1 1 13 . CE2 C 15.549 18.147 -6.348 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3774 . 1 1 13 . CG C 16.370 18.165 -8.645 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 15 . 3775 . 1 1 13 . CZ C 14.299 17.682 -6.795 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 15 . 3776 . 1 1 13 . H H 17.701 15.290 -9.780 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 15 . 3777 . 1 1 13 . HA H 18.792 16.969 -8.755 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 15 . 3778 . 1 1 13 . HB2 H 17.071 18.625 -10.614 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3779 . 1 1 13 . HB3 H 18.072 19.265 -9.342 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3780 . 1 1 13 . HD1 H 14.945 17.525 -10.143 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3781 . 1 1 13 . HD2 H 17.543 18.741 -6.920 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3782 . 1 1 13 . HE1 H 13.124 17.099 -8.512 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3783 . 1 1 13 . HE2 H 15.716 18.318 -5.293 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3784 . 1 1 13 . HZ H 13.505 17.496 -6.084 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 15 . 3785 . 1 1 13 . N N 17.818 16.098 -10.363 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 15 . 3786 . 1 1 13 . O O 20.349 18.741 -10.186 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 15 . 3787 . 1 1 14 TRP C C 21.148 17.363 -13.709 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 15 . 3788 . 1 1 14 TRP CA C 21.428 17.054 -12.231 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 15 . 3789 . 1 1 14 TRP CB C 22.209 15.744 -12.094 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 15 . 3790 . 1 1 14 TRP CD1 C 21.858 14.856 -9.730 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3791 . 1 1 14 TRP CD2 C 23.964 15.515 -10.102 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 15 . 3792 . 1 1 14 TRP CE2 C 23.914 15.034 -8.760 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 15 . 3793 . 1 1 14 TRP CE3 C 25.201 16.006 -10.566 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 15 . 3794 . 1 1 14 TRP CG C 22.641 15.378 -10.702 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 15 . 3795 . 1 1 14 TRP CH2 C 26.264 15.516 -8.421 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 15 . 3796 . 1 1 14 TRP CZ2 C 25.043 15.029 -7.925 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 15 . 3797 . 1 1 14 TRP CZ3 C 26.341 16.006 -9.738 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 15 . 3798 . 1 1 14 TRP H H 19.688 16.063 -11.623 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 15 . 3799 . 1 1 14 TRP HA H 22.011 17.877 -11.829 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 15 . 3800 . 1 1 14 TRP HB2 H 21.611 14.925 -12.504 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 15 . 3801 . 1 1 14 TRP HB3 H 23.098 15.838 -12.709 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 15 . 3802 . 1 1 14 TRP HD1 H 20.802 14.642 -9.831 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 15 . 3803 . 1 1 14 TRP HE1 H 22.209 14.260 -7.735 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3804 . 1 1 14 TRP HE3 H 25.261 16.388 -11.575 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 15 . 3805 . 1 1 14 TRP HH2 H 27.144 15.519 -7.790 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 15 . 3806 . 1 1 14 TRP HZ2 H 24.974 14.656 -6.913 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 15 . 3807 . 1 1 14 TRP HZ3 H 27.281 16.386 -10.118 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 15 . 3808 . 1 1 14 TRP N N 20.211 16.899 -11.458 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 15 . 3809 . 1 1 14 TRP NE1 N 22.602 14.646 -8.587 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 15 . 3810 . 1 1 14 TRP O O 22.084 17.639 -14.465 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 15 . 3811 . 1 1 15 THR C C 19.531 19.122 -15.689 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 15 . 3812 . 1 1 15 THR CA C 19.455 17.601 -15.488 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 15 . 3813 . 1 1 15 THR CB C 18.046 17.021 -15.722 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 15 . 3814 . 1 1 15 THR CG2 C 17.594 17.139 -17.183 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 15 . 3815 . 1 1 15 THR H H 19.165 17.126 -13.441 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 15 . 3816 . 1 1 15 THR HA H 20.147 17.126 -16.184 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 15 . 3817 . 1 1 15 THR HB H 17.336 17.570 -15.102 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 15 . 3818 . 1 1 15 THR HG1 H 18.646 15.153 -15.874 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 15 . 3819 . 1 1 15 THR HG21 H 17.526 18.190 -17.464 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 15 . 3820 . 1 1 15 THR HG22 H 16.609 16.687 -17.304 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 15 . 3821 . 1 1 15 THR HG23 H 18.305 16.640 -17.843 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 15 . 3822 . 1 1 15 THR N N 19.885 17.297 -14.129 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 15 . 3823 . 1 1 15 THR O O 19.050 19.881 -14.814 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 15 . 3824 . 1 1 15 THR OXT O 20.112 19.565 -16.707 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 15 . 3825 . 1 1 15 THR OG1 O 18.000 15.649 -15.341 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 16 . 3826 . 1 1 1 ASP C C -1.217 1.472 -2.721 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 16 . 3827 . 1 1 1 ASP CA C -1.631 0.019 -2.515 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 16 . 3828 . 1 1 1 ASP CB C -1.799 -0.692 -3.868 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 16 . 3829 . 1 1 1 ASP CG C -1.951 -2.205 -3.678 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 16 . 3830 . 1 1 1 ASP H1 H -2.686 0.319 -0.774 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 16 . 3831 . 1 1 1 ASP H2 H -3.174 -1.009 -1.626 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 16 . 3832 . 1 1 1 ASP H3 H -3.584 0.506 -2.127 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 16 . 3833 . 1 1 1 ASP HA H -0.835 -0.494 -1.974 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 16 . 3834 . 1 1 1 ASP HB2 H -2.675 -0.297 -4.389 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3835 . 1 1 1 ASP HB3 H -0.921 -0.494 -4.488 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3836 . 1 1 1 ASP N N -2.862 -0.050 -1.695 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 16 . 3837 . 1 1 1 ASP O O -2.063 2.370 -2.704 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 16 . 3838 . 1 1 1 ASP OD1 O -2.860 -2.621 -2.919 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3839 . 1 1 1 ASP OD2 O -1.163 -2.980 -4.269 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3840 . 1 1 2 TRP C C 1.295 3.254 -4.475 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 16 . 3841 . 1 1 2 TRP CA C 0.672 3.051 -3.090 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 16 . 3842 . 1 1 2 TRP CB C 1.632 3.316 -1.918 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 16 . 3843 . 1 1 2 TRP CD1 C 2.814 1.187 -1.169 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3844 . 1 1 2 TRP CD2 C 4.152 2.557 -2.329 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3845 . 1 1 2 TRP CE2 C 4.929 1.407 -2.001 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3846 . 1 1 2 TRP CE3 C 4.792 3.580 -3.059 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 16 . 3847 . 1 1 2 TRP CG C 2.803 2.383 -1.800 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 16 . 3848 . 1 1 2 TRP CH2 C 6.872 2.305 -3.134 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 16 . 3849 . 1 1 2 TRP CZ2 C 6.270 1.276 -2.394 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 16 . 3850 . 1 1 2 TRP CZ3 C 6.134 3.456 -3.467 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 16 . 3851 . 1 1 2 TRP H H 0.731 0.937 -2.958 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 16 . 3852 . 1 1 2 TRP HA H -0.124 3.782 -3.067 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 16 . 3853 . 1 1 2 TRP HB2 H 2.012 4.335 -2.005 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3854 . 1 1 2 TRP HB3 H 1.063 3.274 -0.988 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3855 . 1 1 2 TRP HD1 H 1.971 0.747 -0.652 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3856 . 1 1 2 TRP HE1 H 4.287 -0.299 -0.888 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3857 . 1 1 2 TRP HE3 H 4.223 4.464 -3.313 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 16 . 3858 . 1 1 2 TRP HH2 H 7.902 2.202 -3.440 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 16 . 3859 . 1 1 2 TRP HZ2 H 6.843 0.398 -2.139 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 16 . 3860 . 1 1 2 TRP HZ3 H 6.596 4.249 -4.041 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 16 . 3861 . 1 1 2 TRP N N 0.083 1.715 -2.931 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 16 . 3862 . 1 1 2 TRP NE1 N 4.061 0.606 -1.287 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3863 . 1 1 2 TRP O O 2.175 4.093 -4.671 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 16 . 3864 . 1 1 3 GLU C C 0.802 3.813 -7.469 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 16 . 3865 . 1 1 3 GLU CA C 1.272 2.507 -6.821 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 16 . 3866 . 1 1 3 GLU CB C 0.762 1.262 -7.553 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 16 . 3867 . 1 1 3 GLU CD C 0.873 -0.159 -9.653 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 16 . 3868 . 1 1 3 GLU CG C 1.347 1.132 -8.966 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 16 . 3869 . 1 1 3 GLU H H 0.005 1.932 -5.201 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 16 . 3870 . 1 1 3 GLU HA H 2.356 2.461 -6.827 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 16 . 3871 . 1 1 3 GLU HB2 H 1.034 0.381 -6.971 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3872 . 1 1 3 GLU HB3 H -0.319 1.316 -7.612 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3873 . 1 1 3 GLU HG2 H 1.044 1.991 -9.565 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 16 . 3874 . 1 1 3 GLU HG3 H 2.438 1.133 -8.903 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 16 . 3875 . 1 1 3 GLU N N 0.815 2.479 -5.440 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 16 . 3876 . 1 1 3 GLU O O -0.397 4.108 -7.480 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 16 . 3877 . 1 1 3 GLU OE1 O -0.209 -0.152 -10.288 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3878 . 1 1 3 GLU OE2 O 1.585 -1.189 -9.577 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3879 . 1 1 4 TYR C C 1.602 5.589 -10.254 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 16 . 3880 . 1 1 4 TYR CA C 1.466 5.824 -8.745 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 16 . 3881 . 1 1 4 TYR CB C 2.382 6.961 -8.267 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 16 . 3882 . 1 1 4 TYR CD1 C 0.610 8.502 -7.301 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3883 . 1 1 4 TYR CD2 C 2.176 9.402 -8.933 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3884 . 1 1 4 TYR CE1 C -0.027 9.753 -7.217 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3885 . 1 1 4 TYR CE2 C 1.547 10.657 -8.857 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3886 . 1 1 4 TYR CG C 1.707 8.318 -8.165 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 16 . 3887 . 1 1 4 TYR CZ C 0.437 10.838 -7.997 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 16 . 3888 . 1 1 4 TYR H H 2.711 4.306 -7.945 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 16 . 3889 . 1 1 4 TYR HA H 0.445 6.142 -8.560 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 16 . 3890 . 1 1 4 TYR HB2 H 2.806 6.717 -7.291 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3891 . 1 1 4 TYR HB3 H 3.189 7.036 -8.989 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3892 . 1 1 4 TYR HD1 H 0.252 7.680 -6.696 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3893 . 1 1 4 TYR HD2 H 3.034 9.279 -9.575 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3894 . 1 1 4 TYR HE1 H -0.870 9.884 -6.553 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3895 . 1 1 4 TYR HE2 H 1.921 11.481 -9.450 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3896 . 1 1 4 TYR HH H 0.210 12.729 -8.479 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 16 . 3897 . 1 1 4 TYR N N 1.744 4.597 -7.999 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 16 . 3898 . 1 1 4 TYR O O 1.983 4.502 -10.699 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 16 . 3899 . 1 1 4 TYR OH O -0.183 12.050 -7.910 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 16 . 3900 . 1 1 5 HIS C C 2.654 7.478 -12.854 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 16 . 3901 . 1 1 5 HIS CA C 1.413 6.659 -12.476 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 16 . 3902 . 1 1 5 HIS CB C 0.119 7.241 -13.089 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 16 . 3903 . 1 1 5 HIS CD2 C -1.195 5.258 -14.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3904 . 1 1 5 HIS CE1 C -0.953 5.631 -16.213 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3905 . 1 1 5 HIS CG C -0.442 6.390 -14.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 16 . 3906 . 1 1 5 HIS H H 1.131 7.511 -10.546 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 16 . 3907 . 1 1 5 HIS HA H 1.535 5.642 -12.846 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 16 . 3908 . 1 1 5 HIS HB2 H -0.638 7.342 -12.313 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3909 . 1 1 5 HIS HB3 H 0.290 8.243 -13.485 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3910 . 1 1 5 HIS HD1 H 0.195 7.381 -15.999 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3911 . 1 1 5 HIS HD2 H -1.498 4.806 -13.104 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3912 . 1 1 5 HIS HE1 H -1.028 5.533 -17.289 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3913 . 1 1 5 HIS HE2 H -2.059 3.972 -15.527 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3914 . 1 1 5 HIS N N 1.316 6.640 -11.022 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 16 . 3915 . 1 1 5 HIS ND1 N -0.300 6.612 -15.562 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 16 . 3916 . 1 1 5 HIS NE2 N -1.505 4.795 -15.309 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3917 . 1 1 5 HIS O O 3.638 6.945 -13.370 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 16 . 3918 . 1 1 6 ALA C C 4.712 9.790 -11.725 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 16 . 3919 . 1 1 6 ALA CA C 3.694 9.734 -12.865 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 16 . 3920 . 1 1 6 ALA CB C 3.075 11.103 -13.178 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 16 . 3921 . 1 1 6 ALA H H 1.808 9.132 -12.073 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 16 . 3922 . 1 1 6 ALA HA H 4.226 9.374 -13.751 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 16 . 3923 . 1 1 6 ALA HB1 H 2.555 11.489 -12.300 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 16 . 3924 . 1 1 6 ALA HB2 H 3.866 11.801 -13.455 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3925 . 1 1 6 ALA HB3 H 2.375 11.015 -14.010 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3926 . 1 1 6 ALA N N 2.632 8.780 -12.542 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 16 . 3927 . 1 1 6 ALA O O 4.954 10.841 -11.126 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 16 . 3928 . 1 1 7 HIS C C 7.522 9.305 -10.653 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 16 . 3929 . 1 1 7 HIS CA C 6.275 8.435 -10.387 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 16 . 3930 . 1 1 7 HIS CB C 6.665 6.952 -10.293 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 16 . 3931 . 1 1 7 HIS CD2 C 5.952 5.100 -11.916 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3932 . 1 1 7 HIS CE1 C 7.020 5.749 -13.746 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3933 . 1 1 7 HIS CG C 6.700 6.205 -11.608 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 16 . 3934 . 1 1 7 HIS H H 4.977 7.803 -11.902 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 16 . 3935 . 1 1 7 HIS HA H 5.817 8.719 -9.447 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 16 . 3936 . 1 1 7 HIS HB2 H 7.650 6.894 -9.841 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3937 . 1 1 7 HIS HB3 H 5.986 6.472 -9.590 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3938 . 1 1 7 HIS HD1 H 7.980 7.397 -12.861 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3939 . 1 1 7 HIS HD2 H 5.269 4.575 -11.260 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3940 . 1 1 7 HIS HE1 H 7.326 5.837 -14.780 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 3941 . 1 1 7 HIS HE2 H 5.725 4.086 -13.793 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3942 . 1 1 7 HIS N N 5.254 8.622 -11.392 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 16 . 3943 . 1 1 7 HIS ND1 N 7.374 6.590 -12.757 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 16 . 3944 . 1 1 7 HIS NE2 N 6.172 4.823 -13.254 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3945 . 1 1 7 HIS O O 7.824 9.615 -11.814 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 16 . 3946 . 1 1 8 PRO C C 10.632 9.828 -10.327 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 16 . 3947 . 1 1 8 PRO CA C 9.442 10.505 -9.647 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 16 . 3948 . 1 1 8 PRO CB C 9.747 10.853 -8.188 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 16 . 3949 . 1 1 8 PRO CD C 8.039 9.202 -8.220 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 16 . 3950 . 1 1 8 PRO CG C 9.240 9.652 -7.400 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 16 . 3951 . 1 1 8 PRO HA H 9.206 11.420 -10.194 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 16 . 3952 . 1 1 8 PRO HB2 H 10.808 10.980 -8.014 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3953 . 1 1 8 PRO HB3 H 9.194 11.751 -7.906 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3954 . 1 1 8 PRO HD2 H 7.935 8.120 -8.160 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3955 . 1 1 8 PRO HD3 H 7.141 9.685 -7.852 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 16 . 3956 . 1 1 8 PRO HG2 H 9.998 8.867 -7.397 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 16 . 3957 . 1 1 8 PRO HG3 H 8.959 9.922 -6.381 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 16 . 3958 . 1 1 8 PRO N N 8.278 9.638 -9.590 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 16 . 3959 . 1 1 8 PRO O O 10.749 8.601 -10.373 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 16 . 3960 . 1 1 9 LYS C C 13.905 10.319 -10.297 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 16 . 3961 . 1 1 9 LYS CA C 12.821 10.300 -11.395 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 16 . 3962 . 1 1 9 LYS CB C 13.121 11.315 -12.505 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 16 . 3963 . 1 1 9 LYS CD C 12.714 12.011 -14.901 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 16 . 3964 . 1 1 9 LYS CE C 11.981 11.647 -16.200 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 16 . 3965 . 1 1 9 LYS CG C 12.401 10.972 -13.817 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 16 . 3966 . 1 1 9 LYS H H 11.396 11.662 -10.714 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 16 . 3967 . 1 1 9 LYS HA H 12.759 9.296 -11.818 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 16 . 3968 . 1 1 9 LYS HB2 H 12.807 12.301 -12.168 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3969 . 1 1 9 LYS HB3 H 14.189 11.354 -12.679 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3970 . 1 1 9 LYS HD2 H 12.389 12.996 -14.560 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 3971 . 1 1 9 LYS HD3 H 13.791 12.033 -15.081 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 16 . 3972 . 1 1 9 LYS HE2 H 12.301 10.653 -16.520 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 16 . 3973 . 1 1 9 LYS HE3 H 10.908 11.613 -16.002 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 16 . 3974 . 1 1 9 LYS HG2 H 12.727 9.988 -14.158 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 16 . 3975 . 1 1 9 LYS HG3 H 11.324 10.947 -13.645 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 16 . 3976 . 1 1 9 LYS HZ1 H 13.232 12.657 -17.507 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 16 . 3977 . 1 1 9 LYS HZ2 H 11.941 13.547 -17.026 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 16 . 3978 . 1 1 9 LYS HZ3 H 11.752 12.355 -18.126 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 16 . 3979 . 1 1 9 LYS N N 11.535 10.669 -10.828 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 16 . 3980 . 1 1 9 LYS NZ N 12.247 12.621 -17.287 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 16 . 3981 . 1 1 9 LYS O O 13.709 10.965 -9.263 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 16 . 3982 . 1 1 10 HYP C C 16.919 10.791 -9.398 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 16 . 3983 . 1 1 10 HYP CA C 16.093 9.501 -9.492 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 16 . 3984 . 1 1 10 HYP CB C 16.890 8.259 -9.912 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 16 . 3985 . 1 1 10 HYP CD C 15.373 8.860 -11.689 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 16 . 3986 . 1 1 10 HYP CG C 16.734 8.211 -11.432 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 16 . 3987 . 1 1 10 HYP HA H 15.644 9.312 -8.515 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 16 . 3988 . 1 1 10 HYP HB2 H 17.936 8.306 -9.605 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 3989 . 1 1 10 HYP HB3 H 16.426 7.382 -9.469 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 3990 . 1 1 10 HYP HD1 H 16.788 6.925 -12.885 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3991 . 1 1 10 HYP HD22 H 14.602 8.104 -11.842 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 16 . 3992 . 1 1 10 HYP HD23 H 15.443 9.506 -12.566 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 16 . 3993 . 1 1 10 HYP HG H 17.516 8.812 -11.894 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 16 . 3994 . 1 1 10 HYP N N 15.049 9.640 -10.501 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 16 . 3995 . 1 1 10 HYP O O 16.563 11.707 -8.656 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 16 . 3996 . 1 1 10 HYP OD1 O 16.783 6.882 -11.910 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 16 . 3997 . 1 1 11 ASN C C 18.418 13.214 -10.986 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 16 . 3998 . 1 1 11 ASN CA C 18.948 12.020 -10.177 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 16 . 3999 . 1 1 11 ASN CB C 20.330 11.551 -10.655 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 16 . 4000 . 1 1 11 ASN CG C 20.416 11.264 -12.160 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 16 . 4001 . 1 1 11 ASN H H 18.219 10.118 -10.778 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 16 . 4002 . 1 1 11 ASN HA H 19.063 12.357 -9.146 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 16 . 4003 . 1 1 11 ASN HB2 H 21.039 12.336 -10.399 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 4004 . 1 1 11 ASN HB3 H 20.615 10.659 -10.100 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 4005 . 1 1 11 ASN HD21 H 22.106 12.377 -12.361 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 16 . 4006 . 1 1 11 ASN HD22 H 21.514 11.613 -13.834 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 16 . 4007 . 1 1 11 ASN N N 18.006 10.894 -10.165 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 16 . 4008 . 1 1 11 ASN ND2 N 21.433 11.786 -12.838 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 16 . 4009 . 1 1 11 ASN O O 19.145 13.872 -11.731 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 16 . 4010 . 1 1 11 ASN OD1 O 19.576 10.561 -12.720 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 16 . 4011 . 1 1 12 SER C C 16.989 15.910 -11.427 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 16 . 4012 . 1 1 12 SER CA C 16.416 14.498 -11.632 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 16 . 4013 . 1 1 12 SER CB C 14.928 14.402 -11.261 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 16 . 4014 . 1 1 12 SER H H 16.613 12.990 -10.142 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 16 . 4015 . 1 1 12 SER HA H 16.554 14.231 -12.672 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 16 . 4016 . 1 1 12 SER HB2 H 14.662 13.350 -11.154 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 4017 . 1 1 12 SER HB3 H 14.770 14.885 -10.297 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 4018 . 1 1 12 SER HG H 14.278 15.912 -12.344 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 16 . 4019 . 1 1 12 SER N N 17.130 13.507 -10.840 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 16 . 4020 . 1 1 12 SER O O 16.919 16.746 -12.329 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 16 . 4021 . 1 1 12 SER OG O 14.072 14.961 -12.245 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 16 . 4022 . 1 1 13 . C C 19.413 17.858 -10.645 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 16 . 4023 . 1 1 13 . CA C 18.212 17.393 -9.799 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 16 . 4024 . 1 1 13 . CB C 17.145 18.476 -9.700 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 16 . 4025 . 1 1 13 . CD1 C 16.442 18.556 -7.265 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 16 . 4026 . 1 1 13 . CD2 C 14.859 17.708 -8.910 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 4027 . 1 1 13 . CE1 C 15.504 18.322 -6.243 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 16 . 4028 . 1 1 13 . CE2 C 13.923 17.473 -7.888 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 16 . 4029 . 1 1 13 . CG C 16.123 18.250 -8.602 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 16 . 4030 . 1 1 13 . CZ C 14.244 17.780 -6.554 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 16 . 4031 . 1 1 13 . H H 17.589 15.382 -9.606 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 16 . 4032 . 1 1 13 . HA H 18.599 17.213 -8.795 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 16 . 4033 . 1 1 13 . HB2 H 16.640 18.577 -10.656 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 4034 . 1 1 13 . HB3 H 17.679 19.397 -9.524 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 4035 . 1 1 13 . HD1 H 17.411 18.969 -7.018 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 4036 . 1 1 13 . HD2 H 14.605 17.468 -9.933 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 16 . 4037 . 1 1 13 . HE1 H 15.754 18.557 -5.217 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 4038 . 1 1 13 . HE2 H 12.955 17.054 -8.128 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 16 . 4039 . 1 1 13 . HZ H 13.524 17.598 -5.767 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 16 . 4040 . 1 1 13 . N N 17.601 16.144 -10.259 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 16 . 4041 . 1 1 13 . O O 19.920 18.970 -10.479 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 16 . 4042 . 1 1 14 TRP C C 20.637 17.689 -13.802 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 16 . 4043 . 1 1 14 TRP CA C 21.034 17.194 -12.402 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 16 . 4044 . 1 1 14 TRP CB C 21.789 15.861 -12.468 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 16 . 4045 . 1 1 14 TRP CD1 C 21.795 15.001 -10.061 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 16 . 4046 . 1 1 14 TRP CD2 C 23.851 15.342 -10.868 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 16 . 4047 . 1 1 14 TRP CE2 C 24.009 14.862 -9.534 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 16 . 4048 . 1 1 14 TRP CE3 C 25.023 15.651 -11.585 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 16 . 4049 . 1 1 14 TRP CG C 22.429 15.411 -11.184 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 16 . 4050 . 1 1 14 TRP CH2 C 26.423 14.997 -9.693 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 16 . 4051 . 1 1 14 TRP CZ2 C 25.273 14.686 -8.948 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 16 . 4052 . 1 1 14 TRP CZ3 C 26.297 15.480 -11.009 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 16 . 4053 . 1 1 14 TRP H H 19.414 16.112 -11.603 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 16 . 4054 . 1 1 14 TRP HA H 21.685 17.948 -11.962 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 16 . 4055 . 1 1 14 TRP HB2 H 21.113 15.080 -12.826 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 16 . 4056 . 1 1 14 TRP HB3 H 22.580 15.973 -13.208 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 16 . 4057 . 1 1 14 TRP HD1 H 20.722 14.945 -9.936 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 16 . 4058 . 1 1 14 TRP HE1 H 22.456 14.341 -8.167 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 16 . 4059 . 1 1 14 TRP HE3 H 24.923 16.029 -12.592 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 16 . 4060 . 1 1 14 TRP HH2 H 27.404 14.868 -9.255 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 16 . 4061 . 1 1 14 TRP HZ2 H 25.360 14.319 -7.934 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 16 . 4062 . 1 1 14 TRP HZ3 H 27.183 15.724 -11.581 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 16 . 4063 . 1 1 14 TRP N N 19.883 16.996 -11.538 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 16 . 4064 . 1 1 14 TRP NE1 N 22.718 14.669 -9.090 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 16 . 4065 . 1 1 14 TRP O O 21.517 17.932 -14.633 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 16 . 4066 . 1 1 15 THR C C 17.941 19.541 -15.140 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 16 . 4067 . 1 1 15 THR CA C 18.791 18.282 -15.353 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 16 . 4068 . 1 1 15 THR CB C 18.016 17.138 -16.049 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 16 . 4069 . 1 1 15 THR CG2 C 18.941 16.384 -17.016 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 16 . 4070 . 1 1 15 THR H H 18.671 17.651 -13.337 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 16 . 4071 . 1 1 15 THR HA H 19.614 18.576 -16.007 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 16 . 4072 . 1 1 15 THR HB H 17.200 17.568 -16.631 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 16 . 4073 . 1 1 15 THR HG1 H 17.004 16.636 -14.443 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 16 . 4074 . 1 1 15 THR HG21 H 18.389 15.583 -17.509 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 16 . 4075 . 1 1 15 THR HG22 H 19.789 15.960 -16.476 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 16 . 4076 . 1 1 15 THR HG23 H 19.311 17.068 -17.780 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 16 . 4077 . 1 1 15 THR N N 19.339 17.835 -14.074 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 16 . 4078 . 1 1 15 THR O O 17.272 19.666 -14.088 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 16 . 4079 . 1 1 15 THR OXT O 17.978 20.436 -16.016 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 16 . 4080 . 1 1 15 THR OG1 O 17.485 16.170 -15.151 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 17 . 4081 . 1 1 1 ASP C C -0.805 1.512 -2.301 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 17 . 4082 . 1 1 1 ASP CA C -1.379 0.098 -2.323 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 17 . 4083 . 1 1 1 ASP CB C -2.640 0.051 -3.200 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 17 . 4084 . 1 1 1 ASP CG C -2.396 0.725 -4.557 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 17 . 4085 . 1 1 1 ASP H1 H -0.801 -0.363 -0.407 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 17 . 4086 . 1 1 1 ASP H2 H -2.035 -1.297 -0.955 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 17 . 4087 . 1 1 1 ASP H3 H -2.308 0.261 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 17 . 4088 . 1 1 1 ASP HA H -0.641 -0.564 -2.777 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 17 . 4089 . 1 1 1 ASP HB2 H -2.929 -0.990 -3.360 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4090 . 1 1 1 ASP HB3 H -3.459 0.557 -2.683 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4091 . 1 1 1 ASP N N -1.653 -0.366 -0.946 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 17 . 4092 . 1 1 1 ASP O O -1.367 2.400 -1.653 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 17 . 4093 . 1 1 1 ASP OD1 O -1.317 0.507 -5.156 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4094 . 1 1 1 ASP OD2 O -3.283 1.479 -5.025 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4095 . 1 1 2 TRP C C 1.464 3.200 -4.652 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 17 . 4096 . 1 1 2 TRP CA C 0.904 3.049 -3.234 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 17 . 4097 . 1 1 2 TRP CB C 1.916 3.349 -2.113 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 17 . 4098 . 1 1 2 TRP CD1 C 3.151 1.238 -1.402 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4099 . 1 1 2 TRP CD2 C 4.428 2.621 -2.613 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4100 . 1 1 2 TRP CE2 C 5.231 1.482 -2.309 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4101 . 1 1 2 TRP CE3 C 5.025 3.648 -3.373 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 17 . 4102 . 1 1 2 TRP CG C 3.102 2.432 -2.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 17 . 4103 . 1 1 2 TRP CH2 C 7.118 2.401 -3.518 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 17 . 4104 . 1 1 2 TRP CZ2 C 6.559 1.368 -2.752 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 17 . 4105 . 1 1 2 TRP CZ3 C 6.353 3.540 -3.830 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 17 . 4106 . 1 1 2 TRP H H 0.719 0.963 -3.527 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 17 . 4107 . 1 1 2 TRP HA H 0.107 3.779 -3.209 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 17 . 4108 . 1 1 2 TRP HB2 H 2.279 4.369 -2.243 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4109 . 1 1 2 TRP HB3 H 1.395 3.325 -1.155 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4110 . 1 1 2 TRP HD1 H 2.332 0.787 -0.857 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4111 . 1 1 2 TRP HE1 H 4.653 -0.228 -1.169 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4112 . 1 1 2 TRP HE3 H 4.434 4.522 -3.611 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 17 . 4113 . 1 1 2 TRP HH2 H 8.138 2.310 -3.863 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 17 . 4114 . 1 1 2 TRP HZ2 H 7.152 0.498 -2.515 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 17 . 4115 . 1 1 2 TRP HZ3 H 6.782 4.334 -4.426 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 17 . 4116 . 1 1 2 TRP N N 0.302 1.733 -3.019 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 17 . 4117 . 1 1 2 TRP NE1 N 4.401 0.673 -1.561 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4118 . 1 1 2 TRP O O 2.357 4.010 -4.904 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 17 . 4119 . 1 1 3 GLU C C 0.845 3.748 -7.617 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 17 . 4120 . 1 1 3 GLU CA C 1.327 2.439 -6.983 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 17 . 4121 . 1 1 3 GLU CB C 0.785 1.199 -7.700 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 17 . 4122 . 1 1 3 GLU CD C 0.838 -0.228 -9.796 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 17 . 4123 . 1 1 3 GLU CG C 1.350 1.053 -9.119 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 17 . 4124 . 1 1 3 GLU H H 0.106 1.882 -5.318 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 17 . 4125 . 1 1 3 GLU HA H 2.410 2.385 -7.029 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 17 . 4126 . 1 1 3 GLU HB2 H 1.051 0.315 -7.119 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4127 . 1 1 3 GLU HB3 H -0.296 1.272 -7.748 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4128 . 1 1 3 GLU HG2 H 1.059 1.919 -9.716 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 17 . 4129 . 1 1 3 GLU HG3 H 2.440 1.030 -9.070 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 17 . 4130 . 1 1 3 GLU N N 0.924 2.421 -5.585 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 17 . 4131 . 1 1 3 GLU O O -0.350 4.058 -7.582 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 17 . 4132 . 1 1 3 GLU OE1 O -0.220 -0.185 -10.469 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4133 . 1 1 3 GLU OE2 O 1.500 -1.288 -9.678 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4134 . 1 1 4 TYR C C 1.635 5.548 -10.427 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 17 . 4135 . 1 1 4 TYR CA C 1.479 5.754 -8.916 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 17 . 4136 . 1 1 4 TYR CB C 2.373 6.897 -8.413 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 17 . 4137 . 1 1 4 TYR CD1 C 0.583 8.350 -7.349 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4138 . 1 1 4 TYR CD2 C 2.071 9.350 -8.996 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4139 . 1 1 4 TYR CE1 C -0.091 9.576 -7.206 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4140 . 1 1 4 TYR CE2 C 1.404 10.580 -8.861 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4141 . 1 1 4 TYR CG C 1.660 8.229 -8.249 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 17 . 4142 . 1 1 4 TYR CZ C 0.316 10.699 -7.965 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 17 . 4143 . 1 1 4 TYR H H 2.740 4.226 -8.167 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 17 . 4144 . 1 1 4 TYR HA H 0.452 6.051 -8.733 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 17 . 4145 . 1 1 4 TYR HB2 H 2.817 6.626 -7.455 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4146 . 1 1 4 TYR HB3 H 3.166 7.023 -9.144 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4147 . 1 1 4 TYR HD1 H 0.268 7.496 -6.763 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4148 . 1 1 4 TYR HD2 H 2.913 9.277 -9.667 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4149 . 1 1 4 TYR HE1 H -0.919 9.654 -6.514 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4150 . 1 1 4 TYR HE2 H 1.729 11.436 -9.437 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4151 . 1 1 4 TYR HH H -1.058 11.876 -7.198 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 17 . 4152 . 1 1 4 TYR N N 1.773 4.521 -8.187 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 17 . 4153 . 1 1 4 TYR O O 2.065 4.485 -10.886 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 17 . 4154 . 1 1 4 TYR OH O -0.328 11.895 -7.837 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 17 . 4155 . 1 1 5 HIS C C 2.681 7.469 -12.972 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 17 . 4156 . 1 1 5 HIS CA C 1.430 6.649 -12.631 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 17 . 4157 . 1 1 5 HIS CB C 0.149 7.249 -13.252 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 17 . 4158 . 1 1 5 HIS CD2 C -1.181 5.294 -14.243 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4159 . 1 1 5 HIS CE1 C -0.893 5.677 -16.406 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4160 . 1 1 5 HIS CG C -0.407 6.415 -14.381 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 17 . 4161 . 1 1 5 HIS H H 1.090 7.453 -10.691 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 17 . 4162 . 1 1 5 HIS HA H 1.553 5.639 -13.020 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 17 . 4163 . 1 1 5 HIS HB2 H -0.617 7.346 -12.484 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4164 . 1 1 5 HIS HB3 H 0.334 8.254 -13.635 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4165 . 1 1 5 HIS HD1 H 0.280 7.406 -16.160 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4166 . 1 1 5 HIS HD2 H -1.509 4.842 -13.314 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4167 . 1 1 5 HIS HE1 H -0.949 5.587 -17.484 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4168 . 1 1 5 HIS HE2 H -2.037 4.031 -15.752 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4169 . 1 1 5 HIS N N 1.312 6.599 -11.180 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 17 . 4170 . 1 1 5 HIS ND1 N -0.236 6.643 -15.737 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 17 . 4171 . 1 1 5 HIS NE2 N -1.475 4.845 -15.519 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4172 . 1 1 5 HIS O O 3.669 6.943 -13.487 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 17 . 4173 . 1 1 6 ALA C C 4.735 9.713 -11.722 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 17 . 4174 . 1 1 6 ALA CA C 3.746 9.712 -12.889 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 17 . 4175 . 1 1 6 ALA CB C 3.154 11.101 -13.163 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 17 . 4176 . 1 1 6 ALA H H 1.834 9.112 -12.168 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 17 . 4177 . 1 1 6 ALA HA H 4.295 9.378 -13.775 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 17 . 4178 . 1 1 6 ALA HB1 H 3.963 11.796 -13.393 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 17 . 4179 . 1 1 6 ALA HB2 H 2.474 11.056 -14.014 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4180 . 1 1 6 ALA HB3 H 2.620 11.459 -12.282 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4181 . 1 1 6 ALA N N 2.665 8.762 -12.627 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 17 . 4182 . 1 1 6 ALA O O 4.972 10.737 -11.077 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 17 . 4183 . 1 1 7 HIS C C 7.516 9.173 -10.624 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 17 . 4184 . 1 1 7 HIS CA C 6.264 8.294 -10.412 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 17 . 4185 . 1 1 7 HIS CB C 6.639 6.805 -10.369 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 17 . 4186 . 1 1 7 HIS CD2 C 5.906 5.017 -12.053 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4187 . 1 1 7 HIS CE1 C 7.005 5.697 -13.852 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4188 . 1 1 7 HIS CG C 6.670 6.099 -11.706 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 17 . 4189 . 1 1 7 HIS H H 4.982 7.731 -11.969 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 17 . 4190 . 1 1 7 HIS HA H 5.793 8.545 -9.468 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 17 . 4191 . 1 1 7 HIS HB2 H 7.622 6.719 -9.916 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4192 . 1 1 7 HIS HB3 H 5.951 6.309 -9.687 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4193 . 1 1 7 HIS HD1 H 7.987 7.300 -12.909 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4194 . 1 1 7 HIS HD2 H 5.207 4.485 -11.419 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4195 . 1 1 7 HIS HE1 H 7.327 5.806 -14.880 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4196 . 1 1 7 HIS HE2 H 5.683 4.060 -13.959 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4197 . 1 1 7 HIS N N 5.258 8.527 -11.422 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 17 . 4198 . 1 1 7 HIS ND1 N 7.363 6.504 -12.836 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 17 . 4199 . 1 1 7 HIS NE2 N 6.135 4.774 -13.396 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4200 . 1 1 7 HIS O O 7.832 9.533 -11.768 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 17 . 4201 . 1 1 8 PRO C C 10.585 9.832 -10.297 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 17 . 4202 . 1 1 8 PRO CA C 9.381 10.386 -9.532 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 17 . 4203 . 1 1 8 PRO CB C 9.700 10.621 -8.052 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 17 . 4204 . 1 1 8 PRO CD C 8.016 8.954 -8.195 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 17 . 4205 . 1 1 8 PRO CG C 9.219 9.355 -7.355 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 17 . 4206 . 1 1 8 PRO HA H 9.087 11.334 -9.988 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 17 . 4207 . 1 1 8 PRO HB2 H 10.761 10.751 -7.881 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4208 . 1 1 8 PRO HB3 H 9.136 11.483 -7.689 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4209 . 1 1 8 PRO HD2 H 7.917 7.870 -8.197 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4210 . 1 1 8 PRO HD3 H 7.116 9.409 -7.797 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 17 . 4211 . 1 1 8 PRO HG2 H 9.988 8.584 -7.422 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 17 . 4212 . 1 1 8 PRO HG3 H 8.947 9.540 -6.315 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 17 . 4213 . 1 1 8 PRO N N 8.253 9.469 -9.537 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 17 . 4214 . 1 1 8 PRO O O 10.751 8.622 -10.461 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 17 . 4215 . 1 1 9 LYS C C 13.842 10.366 -10.432 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 17 . 4216 . 1 1 9 LYS CA C 12.684 10.482 -11.446 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 17 . 4217 . 1 1 9 LYS CB C 12.918 11.626 -12.450 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 17 . 4218 . 1 1 9 LYS CD C 10.763 11.262 -13.825 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 17 . 4219 . 1 1 9 LYS CE C 10.155 11.297 -15.237 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 17 . 4220 . 1 1 9 LYS CG C 12.296 11.397 -13.839 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 17 . 4221 . 1 1 9 LYS H H 11.267 11.725 -10.529 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 17 . 4222 . 1 1 9 LYS HA H 12.599 9.537 -11.984 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 17 . 4223 . 1 1 9 LYS HB2 H 12.535 12.555 -12.030 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4224 . 1 1 9 LYS HB3 H 13.986 11.767 -12.583 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4225 . 1 1 9 LYS HD2 H 10.472 10.334 -13.329 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4226 . 1 1 9 LYS HD3 H 10.343 12.095 -13.259 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 17 . 4227 . 1 1 9 LYS HE2 H 9.066 11.309 -15.142 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4228 . 1 1 9 LYS HE3 H 10.457 12.224 -15.730 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 17 . 4229 . 1 1 9 LYS HG2 H 12.564 12.247 -14.468 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 17 . 4230 . 1 1 9 LYS HG3 H 12.735 10.499 -14.275 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 17 . 4231 . 1 1 9 LYS HZ1 H 10.276 9.267 -15.647 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 17 . 4232 . 1 1 9 LYS HZ2 H 11.549 10.124 -16.231 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 17 . 4233 . 1 1 9 LYS HZ3 H 10.102 10.192 -16.981 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 17 . 4234 . 1 1 9 LYS N N 11.434 10.754 -10.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 17 . 4235 . 1 1 9 LYS NZ N 10.551 10.139 -16.077 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 17 . 4236 . 1 1 9 LYS O O 13.703 10.832 -9.296 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 17 . 4237 . 1 1 10 HYP C C 16.934 10.826 -9.766 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 17 . 4238 . 1 1 10 HYP CA C 16.116 9.535 -9.929 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 17 . 4239 . 1 1 10 HYP CB C 16.870 8.354 -10.556 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 17 . 4240 . 1 1 10 HYP CD C 15.229 9.164 -12.123 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 17 . 4241 . 1 1 10 HYP CG C 16.614 8.517 -12.055 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 17 . 4242 . 1 1 10 HYP HA H 15.761 9.232 -8.942 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 17 . 4243 . 1 1 10 HYP HB2 H 17.934 8.355 -10.315 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4244 . 1 1 10 HYP HB3 H 16.421 7.427 -10.206 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4245 . 1 1 10 HYP HD1 H 16.589 7.451 -13.676 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4246 . 1 1 10 HYP HD22 H 14.461 8.417 -12.324 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 17 . 4247 . 1 1 10 HYP HD23 H 15.227 9.925 -12.906 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 17 . 4248 . 1 1 10 HYP HG H 17.354 9.195 -12.477 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 17 . 4249 . 1 1 10 HYP N N 14.984 9.766 -10.818 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 17 . 4250 . 1 1 10 HYP O O 16.555 11.705 -8.991 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 17 . 4251 . 1 1 10 HYP OD1 O 16.647 7.271 -12.718 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4252 . 1 1 11 ASN C C 18.501 13.344 -11.143 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 17 . 4253 . 1 1 11 ASN CA C 18.994 12.088 -10.405 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 17 . 4254 . 1 1 11 ASN CB C 20.387 11.633 -10.868 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 17 . 4255 . 1 1 11 ASN CG C 20.518 11.433 -12.383 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 17 . 4256 . 1 1 11 ASN H H 18.274 10.244 -11.156 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 17 . 4257 . 1 1 11 ASN HA H 19.080 12.353 -9.349 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 17 . 4258 . 1 1 11 ASN HB2 H 21.098 12.390 -10.544 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4259 . 1 1 11 ASN HB3 H 20.647 10.705 -10.359 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4260 . 1 1 11 ASN HD21 H 22.235 12.520 -12.461 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 17 . 4261 . 1 1 11 ASN HD22 H 21.680 11.857 -13.996 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 17 . 4262 . 1 1 11 ASN N N 18.043 10.974 -10.496 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 17 . 4263 . 1 1 11 ASN ND2 N 21.567 11.973 -12.995 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 17 . 4264 . 1 1 11 ASN O O 19.248 14.018 -11.852 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 17 . 4265 . 1 1 11 ASN OD1 O 19.686 10.780 -13.011 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4266 . 1 1 12 SER C C 17.222 16.116 -11.391 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 17 . 4267 . 1 1 12 SER CA C 16.544 14.762 -11.658 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 17 . 4268 . 1 1 12 SER CB C 15.065 14.746 -11.224 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 17 . 4269 . 1 1 12 SER H H 16.697 13.113 -10.308 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 17 . 4270 . 1 1 12 SER HA H 16.622 14.562 -12.718 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 17 . 4271 . 1 1 12 SER HB2 H 14.696 13.720 -11.260 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4272 . 1 1 12 SER HB3 H 14.995 15.094 -10.192 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4273 . 1 1 12 SER HG H 14.188 15.161 -12.939 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 17 . 4274 . 1 1 12 SER N N 17.225 13.673 -10.965 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 17 . 4275 . 1 1 12 SER O O 17.257 16.988 -12.263 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 17 . 4276 . 1 1 12 SER OG O 14.225 15.546 -12.041 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 17 . 4277 . 1 1 13 . C C 19.733 17.885 -10.471 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 17 . 4278 . 1 1 13 . CA C 18.495 17.440 -9.670 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 17 . 4279 . 1 1 13 . CB C 17.484 18.574 -9.540 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 17 . 4280 . 1 1 13 . CD1 C 15.146 17.861 -8.861 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4281 . 1 1 13 . CD2 C 16.702 18.573 -7.128 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4282 . 1 1 13 . CE1 C 14.168 17.612 -7.881 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4283 . 1 1 13 . CE2 C 15.722 18.327 -6.149 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4284 . 1 1 13 . CG C 16.416 18.340 -8.487 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 17 . 4285 . 1 1 13 . CZ C 14.455 17.845 -6.525 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 17 . 4286 . 1 1 13 . H H 17.734 15.465 -9.586 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 17 . 4287 . 1 1 13 . HA H 18.849 17.191 -8.669 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 17 . 4288 . 1 1 13 . HB2 H 17.014 18.756 -10.502 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4289 . 1 1 13 . HB3 H 18.058 19.455 -9.297 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4290 . 1 1 13 . HD1 H 14.919 17.676 -9.902 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4291 . 1 1 13 . HD2 H 17.676 18.936 -6.831 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4292 . 1 1 13 . HE1 H 13.196 17.238 -8.173 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4293 . 1 1 13 . HE2 H 15.946 18.503 -5.106 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4294 . 1 1 13 . HZ H 13.703 17.653 -5.771 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 17 . 4295 . 1 1 13 . N N 17.824 16.251 -10.203 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 17 . 4296 . 1 1 13 . O O 20.307 18.947 -10.216 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 17 . 4297 . 1 1 14 TRP C C 20.963 17.781 -13.667 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 17 . 4298 . 1 1 14 TRP CA C 21.323 17.255 -12.270 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 17 . 4299 . 1 1 14 TRP CB C 22.044 15.905 -12.351 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 17 . 4300 . 1 1 14 TRP CD1 C 21.953 14.942 -9.987 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4301 . 1 1 14 TRP CD2 C 24.039 15.347 -10.681 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 17 . 4302 . 1 1 14 TRP CE2 C 24.143 14.810 -9.364 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 17 . 4303 . 1 1 14 TRP CE3 C 25.238 15.706 -11.327 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 17 . 4304 . 1 1 14 TRP CG C 22.632 15.408 -11.060 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 17 . 4305 . 1 1 14 TRP CH2 C 26.559 14.986 -9.403 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 17 . 4306 . 1 1 14 TRP CZ2 C 25.381 14.626 -8.727 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 17 . 4307 . 1 1 14 TRP CZ3 C 26.486 15.528 -10.700 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 17 . 4308 . 1 1 14 TRP H H 19.636 16.221 -11.562 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 17 . 4309 . 1 1 14 TRP HA H 21.982 17.987 -11.809 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 17 . 4310 . 1 1 14 TRP HB2 H 21.356 15.153 -12.746 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 17 . 4311 . 1 1 14 TRP HB3 H 22.856 16.015 -13.066 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 17 . 4312 . 1 1 14 TRP HD1 H 20.876 14.868 -9.917 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 17 . 4313 . 1 1 14 TRP HE1 H 22.536 14.207 -8.095 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4314 . 1 1 14 TRP HE3 H 25.179 16.128 -12.320 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 17 . 4315 . 1 1 14 TRP HH2 H 27.521 14.852 -8.926 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 17 . 4316 . 1 1 14 TRP HZ2 H 25.427 14.216 -7.728 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 17 . 4317 . 1 1 14 TRP HZ3 H 27.394 15.810 -11.218 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 17 . 4318 . 1 1 14 TRP N N 20.156 17.067 -11.427 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 17 . 4319 . 1 1 14 TRP NE1 N 22.836 14.580 -8.990 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 17 . 4320 . 1 1 14 TRP O O 21.865 18.068 -14.459 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 17 . 4321 . 1 1 15 THR C C 18.153 19.506 -14.969 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 17 . 4322 . 1 1 15 THR CA C 19.158 18.382 -15.256 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 17 . 4323 . 1 1 15 THR CB C 18.615 17.198 -16.092 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 17 . 4324 . 1 1 15 THR CG2 C 19.763 16.443 -16.779 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 17 . 4325 . 1 1 15 THR H H 18.989 17.669 -13.267 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 17 . 4326 . 1 1 15 THR HA H 19.970 18.837 -15.825 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 17 . 4327 . 1 1 15 THR HB H 17.964 17.590 -16.876 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 17 . 4328 . 1 1 15 THR HG1 H 17.152 16.723 -14.896 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 17 . 4329 . 1 1 15 THR HG21 H 20.327 17.126 -17.414 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 17 . 4330 . 1 1 15 THR HG22 H 19.359 15.646 -17.404 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 17 . 4331 . 1 1 15 THR HG23 H 20.435 16.009 -16.037 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 17 . 4332 . 1 1 15 THR N N 19.672 17.906 -13.976 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 17 . 4333 . 1 1 15 THR O O 18.612 20.608 -14.587 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 17 . 4334 . 1 1 15 THR OXT O 16.922 19.306 -15.089 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 17 . 4335 . 1 1 15 THR OG1 O 17.895 16.251 -15.313 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 18 . 4336 . 1 1 1 ASP C C -0.960 1.868 -3.160 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 18 . 4337 . 1 1 1 ASP CA C -1.569 0.534 -2.745 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 18 . 4338 . 1 1 1 ASP CB C -1.313 -0.532 -3.824 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 18 . 4339 . 1 1 1 ASP CG C -1.676 -1.930 -3.311 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 18 . 4340 . 1 1 1 ASP H1 H -3.468 1.110 -3.261 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 18 . 4341 . 1 1 1 ASP H2 H -3.141 1.316 -1.672 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 18 . 4342 . 1 1 1 ASP H3 H -3.428 -0.200 -2.262 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 18 . 4343 . 1 1 1 ASP HA H -1.078 0.198 -1.831 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 18 . 4344 . 1 1 1 ASP HB2 H -1.898 -0.304 -4.718 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4345 . 1 1 1 ASP HB3 H -0.256 -0.513 -4.101 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4346 . 1 1 1 ASP N N -3.013 0.700 -2.460 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 18 . 4347 . 1 1 1 ASP O O -1.644 2.714 -3.740 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 18 . 4348 . 1 1 1 ASP OD1 O -2.831 -2.115 -2.858 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4349 . 1 1 1 ASP OD2 O -0.814 -2.839 -3.346 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4350 . 1 1 2 TRP C C 1.576 3.451 -4.593 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 18 . 4351 . 1 1 2 TRP CA C 1.059 3.318 -3.154 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 18 . 4352 . 1 1 2 TRP CB C 2.136 3.494 -2.069 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 18 . 4353 . 1 1 2 TRP CD1 C 3.124 1.270 -1.313 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4354 . 1 1 2 TRP CD2 C 4.496 2.412 -2.663 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4355 . 1 1 2 TRP CE2 C 5.157 1.187 -2.348 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4356 . 1 1 2 TRP CE3 C 5.184 3.318 -3.496 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 18 . 4357 . 1 1 2 TRP CG C 3.193 2.429 -2.007 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 18 . 4358 . 1 1 2 TRP CH2 C 7.077 1.791 -3.695 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 18 . 4359 . 1 1 2 TRP CZ2 C 6.429 0.874 -2.854 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 18 . 4360 . 1 1 2 TRP CZ3 C 6.456 3.012 -4.016 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 18 . 4361 . 1 1 2 TRP H H 0.876 1.313 -2.492 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 18 . 4362 . 1 1 2 TRP HA H 0.348 4.128 -3.069 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 18 . 4363 . 1 1 2 TRP HB2 H 2.627 4.457 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4364 . 1 1 2 TRP HB3 H 1.643 3.545 -1.097 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4365 . 1 1 2 TRP HD1 H 2.291 0.960 -0.693 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4366 . 1 1 2 TRP HE1 H 4.428 -0.376 -1.089 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4367 . 1 1 2 TRP HE3 H 4.706 4.258 -3.737 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 18 . 4368 . 1 1 2 TRP HH2 H 8.053 1.548 -4.088 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 18 . 4369 . 1 1 2 TRP HZ2 H 6.913 -0.058 -2.607 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 18 . 4370 . 1 1 2 TRP HZ3 H 6.954 3.719 -4.666 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 18 . 4371 . 1 1 2 TRP N N 0.338 2.063 -2.906 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 18 . 4372 . 1 1 2 TRP NE1 N 4.273 0.532 -1.515 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4373 . 1 1 2 TRP O O 2.524 4.185 -4.871 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 18 . 4374 . 1 1 3 GLU C C 0.861 4.016 -7.571 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 18 . 4375 . 1 1 3 GLU CA C 1.289 2.697 -6.920 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 18 . 4376 . 1 1 3 GLU CB C 0.634 1.475 -7.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 18 . 4377 . 1 1 3 GLU CD C 0.490 -0.018 -9.615 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 18 . 4378 . 1 1 3 GLU CG C 1.122 1.243 -9.005 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 18 . 4379 . 1 1 3 GLU H H 0.075 2.313 -5.212 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 18 . 4380 . 1 1 3 GLU HA H 2.363 2.571 -7.008 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 18 . 4381 . 1 1 3 GLU HB2 H 0.863 0.597 -6.965 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4382 . 1 1 3 GLU HB3 H -0.441 1.619 -7.570 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4383 . 1 1 3 GLU HG2 H 0.868 2.109 -9.620 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 18 . 4384 . 1 1 3 GLU HG3 H 2.209 1.142 -9.001 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 18 . 4385 . 1 1 3 GLU N N 0.937 2.737 -5.512 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 18 . 4386 . 1 1 3 GLU O O -0.315 4.388 -7.513 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 18 . 4387 . 1 1 3 GLU OE1 O -0.612 0.076 -10.208 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4388 . 1 1 3 GLU OE2 O 1.096 -1.112 -9.520 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4389 . 1 1 4 TYR C C 1.707 5.664 -10.462 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 18 . 4390 . 1 1 4 TYR CA C 1.564 5.937 -8.960 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 18 . 4391 . 1 1 4 TYR CB C 2.505 7.059 -8.503 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 18 . 4392 . 1 1 4 TYR CD1 C 0.789 8.610 -7.458 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4393 . 1 1 4 TYR CD2 C 2.277 9.500 -9.168 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4394 . 1 1 4 TYR CE1 C 0.161 9.864 -7.346 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4395 . 1 1 4 TYR CE2 C 1.656 10.756 -9.063 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4396 . 1 1 4 TYR CG C 1.843 8.421 -8.373 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 18 . 4397 . 1 1 4 TYR CZ C 0.591 10.945 -8.152 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 18 . 4398 . 1 1 4 TYR H H 2.764 4.380 -8.178 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 18 . 4399 . 1 1 4 TYR HA H 0.550 6.282 -8.789 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 18 . 4400 . 1 1 4 TYR HB2 H 2.947 6.800 -7.540 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4401 . 1 1 4 TYR HB3 H 3.297 7.131 -9.241 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4402 . 1 1 4 TYR HD1 H 0.457 7.789 -6.837 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4403 . 1 1 4 TYR HD2 H 3.101 9.373 -9.853 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4404 . 1 1 4 TYR HE1 H -0.649 9.995 -6.641 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4405 . 1 1 4 TYR HE2 H 1.998 11.580 -9.675 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4406 . 1 1 4 TYR HH H -0.724 12.196 -7.400 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 18 . 4407 . 1 1 4 TYR N N 1.813 4.722 -8.186 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 18 . 4408 . 1 1 4 TYR O O 2.092 4.567 -10.878 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 18 . 4409 . 1 1 4 TYR OH O -0.008 12.166 -8.053 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 18 . 4410 . 1 1 5 HIS C C 2.811 7.459 -13.085 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 18 . 4411 . 1 1 5 HIS CA C 1.542 6.683 -12.709 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 18 . 4412 . 1 1 5 HIS CB C 0.272 7.286 -13.351 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 18 . 4413 . 1 1 5 HIS CD2 C -1.085 5.313 -14.267 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4414 . 1 1 5 HIS CE1 C -0.823 5.631 -16.444 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4415 . 1 1 5 HIS CG C -0.303 6.423 -14.448 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 18 . 4416 . 1 1 5 HIS H H 1.238 7.578 -10.802 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 18 . 4417 . 1 1 5 HIS HA H 1.640 5.656 -13.055 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 18 . 4418 . 1 1 5 HIS HB2 H -0.491 7.428 -12.587 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4419 . 1 1 5 HIS HB3 H 0.476 8.272 -13.770 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4420 . 1 1 5 HIS HD1 H 0.366 7.358 -16.263 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4421 . 1 1 5 HIS HD2 H -1.405 4.892 -13.321 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4422 . 1 1 5 HIS HE1 H -0.895 5.511 -17.518 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4423 . 1 1 5 HIS HE2 H -1.972 4.015 -15.727 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4424 . 1 1 5 HIS N N 1.427 6.697 -11.256 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 18 . 4425 . 1 1 5 HIS ND1 N -0.149 6.611 -15.812 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 18 . 4426 . 1 1 5 HIS NE2 N -1.399 4.830 -15.525 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4427 . 1 1 5 HIS O O 3.790 6.887 -13.568 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 18 . 4428 . 1 1 6 ALA C C 4.897 9.748 -11.950 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 18 . 4429 . 1 1 6 ALA CA C 3.917 9.683 -13.123 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 18 . 4430 . 1 1 6 ALA CB C 3.345 11.059 -13.493 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 18 . 4431 . 1 1 6 ALA H H 1.997 9.155 -12.362 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 18 . 4432 . 1 1 6 ALA HA H 4.467 9.285 -13.981 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 18 . 4433 . 1 1 6 ALA HB1 H 4.163 11.729 -13.760 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 18 . 4434 . 1 1 6 ALA HB2 H 2.670 10.966 -14.344 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4435 . 1 1 6 ALA HB3 H 2.808 11.481 -12.641 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4436 . 1 1 6 ALA N N 2.820 8.768 -12.806 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 18 . 4437 . 1 1 6 ALA O O 5.138 10.809 -11.370 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 18 . 4438 . 1 1 7 HIS C C 7.639 9.251 -10.723 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 18 . 4439 . 1 1 7 HIS CA C 6.369 8.398 -10.509 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 18 . 4440 . 1 1 7 HIS CB C 6.719 6.909 -10.354 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 18 . 4441 . 1 1 7 HIS CD2 C 5.981 5.029 -11.933 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4442 . 1 1 7 HIS CE1 C 7.133 5.566 -13.747 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4443 . 1 1 7 HIS CG C 6.767 6.110 -11.638 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 18 . 4444 . 1 1 7 HIS H H 5.126 7.752 -12.068 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 18 . 4445 . 1 1 7 HIS HA H 5.864 8.712 -9.603 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 18 . 4446 . 1 1 7 HIS HB2 H 7.688 6.840 -9.871 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4447 . 1 1 7 HIS HB3 H 6.005 6.469 -9.659 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4448 . 1 1 7 HIS HD1 H 8.151 7.190 -12.880 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4449 . 1 1 7 HIS HD2 H 5.255 4.555 -11.282 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4450 . 1 1 7 HIS HE1 H 7.474 5.605 -14.773 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4451 . 1 1 7 HIS HE2 H 5.767 3.962 -13.781 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4452 . 1 1 7 HIS N N 5.403 8.579 -11.570 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 18 . 4453 . 1 1 7 HIS ND1 N 7.496 6.423 -12.775 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 18 . 4454 . 1 1 7 HIS NE2 N 6.229 4.696 -13.253 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4455 . 1 1 7 HIS O O 8.004 9.542 -11.873 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 18 . 4456 . 1 1 8 PRO C C 10.717 9.866 -10.239 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 18 . 4457 . 1 1 8 PRO CA C 9.474 10.505 -9.614 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 18 . 4458 . 1 1 8 PRO CB C 9.695 10.857 -8.140 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 18 . 4459 . 1 1 8 PRO CD C 8.023 9.179 -8.262 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 18 . 4460 . 1 1 8 PRO CG C 9.175 9.643 -7.383 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 18 . 4461 . 1 1 8 PRO HA H 9.234 11.415 -10.167 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 18 . 4462 . 1 1 8 PRO HB2 H 10.741 11.009 -7.910 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4463 . 1 1 8 PRO HB3 H 9.104 11.738 -7.882 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4464 . 1 1 8 PRO HD2 H 7.929 8.097 -8.199 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4465 . 1 1 8 PRO HD3 H 7.100 9.653 -7.944 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 18 . 4466 . 1 1 8 PRO HG2 H 9.946 8.871 -7.350 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 18 . 4467 . 1 1 8 PRO HG3 H 8.841 9.900 -6.377 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 18 . 4468 . 1 1 8 PRO N N 8.331 9.606 -9.622 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 18 . 4469 . 1 1 8 PRO O O 10.837 8.644 -10.341 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 18 . 4470 . 1 1 9 LYS C C 14.044 10.405 -10.272 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 18 . 4471 . 1 1 9 LYS CA C 12.899 10.376 -11.305 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 18 . 4472 . 1 1 9 LYS CB C 13.131 11.390 -12.439 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 18 . 4473 . 1 1 9 LYS CD C 10.893 11.057 -13.673 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 18 . 4474 . 1 1 9 LYS CE C 10.251 10.866 -15.052 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 18 . 4475 . 1 1 9 LYS CG C 12.427 11.047 -13.766 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 18 . 4476 . 1 1 9 LYS H H 11.517 11.716 -10.497 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 18 . 4477 . 1 1 9 LYS HA H 12.826 9.372 -11.724 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 18 . 4478 . 1 1 9 LYS HB2 H 12.816 12.377 -12.108 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4479 . 1 1 9 LYS HB3 H 14.195 11.460 -12.629 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4480 . 1 1 9 LYS HD2 H 10.564 10.243 -13.028 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4481 . 1 1 9 LYS HD3 H 10.567 12.009 -13.249 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 18 . 4482 . 1 1 9 LYS HE2 H 10.600 11.654 -15.723 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4483 . 1 1 9 LYS HE3 H 10.569 9.903 -15.459 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 18 . 4484 . 1 1 9 LYS HG2 H 12.734 11.784 -14.510 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 18 . 4485 . 1 1 9 LYS HG3 H 12.760 10.065 -14.105 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 18 . 4486 . 1 1 9 LYS HZ1 H 8.426 10.217 -14.318 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 18 . 4487 . 1 1 9 LYS HZ2 H 8.364 10.716 -15.880 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 18 . 4488 . 1 1 9 LYS HZ3 H 8.451 11.815 -14.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 18 . 4489 . 1 1 9 LYS N N 11.645 10.728 -10.657 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 18 . 4490 . 1 1 9 LYS NZ N 8.770 10.905 -14.974 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 18 . 4491 . 1 1 9 LYS O O 13.905 11.055 -9.231 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 18 . 4492 . 1 1 10 HYP C C 17.094 10.887 -9.523 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 18 . 4493 . 1 1 10 HYP CA C 16.273 9.592 -9.584 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 18 . 4494 . 1 1 10 HYP CB C 17.060 8.359 -10.051 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 18 . 4495 . 1 1 10 HYP CD C 15.442 8.957 -11.746 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 18 . 4496 . 1 1 10 HYP CG C 16.818 8.316 -11.561 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 18 . 4497 . 1 1 10 HYP HA H 15.876 9.393 -8.587 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 18 . 4498 . 1 1 10 HYP HB2 H 18.122 8.420 -9.805 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4499 . 1 1 10 HYP HB3 H 16.634 7.477 -9.582 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4500 . 1 1 10 HYP HD1 H 16.185 6.476 -11.615 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4501 . 1 1 10 HYP HD22 H 14.668 8.199 -11.868 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 18 . 4502 . 1 1 10 HYP HD23 H 15.467 9.610 -12.620 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 18 . 4503 . 1 1 10 HYP HG H 17.565 8.933 -12.058 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 18 . 4504 . 1 1 10 HYP N N 15.177 9.727 -10.537 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 18 . 4505 . 1 1 10 HYP O O 16.784 11.788 -8.744 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 18 . 4506 . 1 1 10 HYP OD1 O 16.868 7.000 -12.073 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4507 . 1 1 11 ASN C C 18.510 13.341 -11.153 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 18 . 4508 . 1 1 11 ASN CA C 19.074 12.128 -10.400 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 18 . 4509 . 1 1 11 ASN CB C 20.425 11.656 -10.962 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 18 . 4510 . 1 1 11 ASN CG C 20.428 11.403 -12.476 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 18 . 4511 . 1 1 11 ASN H H 18.300 10.244 -10.997 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 18 . 4512 . 1 1 11 ASN HA H 19.245 12.447 -9.370 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 18 . 4513 . 1 1 11 ASN HB2 H 21.156 12.427 -10.729 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4514 . 1 1 11 ASN HB3 H 20.731 10.749 -10.444 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4515 . 1 1 11 ASN HD21 H 22.176 12.413 -12.723 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 18 . 4516 . 1 1 11 ASN HD22 H 21.475 11.729 -14.187 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 18 . 4517 . 1 1 11 ASN N N 18.128 11.007 -10.357 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 18 . 4518 . 1 1 11 ASN ND2 N 21.446 11.881 -13.185 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 18 . 4519 . 1 1 11 ASN O O 19.198 14.007 -11.927 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 18 . 4520 . 1 1 11 ASN OD1 O 19.525 10.766 -13.016 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4521 . 1 1 12 SER C C 17.166 16.062 -11.429 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 18 . 4522 . 1 1 12 SER CA C 16.495 14.690 -11.608 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 18 . 4523 . 1 1 12 SER CB C 15.045 14.660 -11.094 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 18 . 4524 . 1 1 12 SER H H 16.761 13.102 -10.207 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 18 . 4525 . 1 1 12 SER HA H 16.510 14.453 -12.662 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 18 . 4526 . 1 1 12 SER HB2 H 14.704 13.625 -11.061 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4527 . 1 1 12 SER HB3 H 15.015 15.062 -10.080 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4528 . 1 1 12 SER HG H 13.259 15.344 -11.545 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 18 . 4529 . 1 1 12 SER N N 17.236 13.643 -10.917 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 18 . 4530 . 1 1 12 SER O O 17.191 16.879 -12.352 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 18 . 4531 . 1 1 12 SER OG O 14.158 15.388 -11.928 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 18 . 4532 . 1 1 13 . C C 19.662 17.922 -10.622 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 18 . 4533 . 1 1 13 . CA C 18.440 17.487 -9.791 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 18 . 4534 . 1 1 13 . CB C 17.407 18.605 -9.686 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 18 . 4535 . 1 1 13 . CD1 C 16.728 18.727 -7.247 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4536 . 1 1 13 . CD2 C 15.142 17.823 -8.858 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4537 . 1 1 13 . CE1 C 15.812 18.481 -6.209 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4538 . 1 1 13 . CE2 C 14.230 17.572 -7.818 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4539 . 1 1 13 . CG C 16.396 18.397 -8.575 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 18 . 4540 . 1 1 13 . CZ C 14.563 17.903 -6.493 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 18 . 4541 . 1 1 13 . H H 17.714 15.505 -9.605 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 18 . 4542 . 1 1 13 . HA H 18.814 17.287 -8.786 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 18 . 4543 . 1 1 13 . HB2 H 16.892 18.727 -10.635 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4544 . 1 1 13 . HB3 H 17.965 19.512 -9.512 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4545 . 1 1 13 . HD1 H 17.692 19.160 -7.019 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4546 . 1 1 13 . HD2 H 14.880 17.561 -9.874 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4547 . 1 1 13 . HE1 H 16.074 18.729 -5.190 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4548 . 1 1 13 . HE2 H 13.275 17.117 -8.039 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4549 . 1 1 13 . HZ H 13.861 17.709 -5.693 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 18 . 4550 . 1 1 13 . N N 17.785 16.263 -10.259 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 18 . 4551 . 1 1 13 . O O 20.223 19.000 -10.413 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 18 . 4552 . 1 1 14 TRP C C 20.866 17.764 -13.800 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 18 . 4553 . 1 1 14 TRP CA C 21.250 17.246 -12.404 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 18 . 4554 . 1 1 14 TRP CB C 21.966 15.892 -12.475 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 18 . 4555 . 1 1 14 TRP CD1 C 21.901 14.978 -10.089 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4556 . 1 1 14 TRP CD2 C 23.980 15.322 -10.831 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 18 . 4557 . 1 1 14 TRP CE2 C 24.099 14.808 -9.506 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 18 . 4558 . 1 1 14 TRP CE3 C 25.174 15.638 -11.508 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 18 . 4559 . 1 1 14 TRP CG C 22.568 15.409 -11.184 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 18 . 4560 . 1 1 14 TRP CH2 C 26.517 14.925 -9.596 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 18 . 4561 . 1 1 14 TRP CZ2 C 25.344 14.608 -8.890 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 18 . 4562 . 1 1 14 TRP CZ3 C 26.431 15.442 -10.903 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 18 . 4563 . 1 1 14 TRP H H 19.579 16.217 -11.652 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 18 . 4564 . 1 1 14 TRP HA H 21.924 17.976 -11.954 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 18 . 4565 . 1 1 14 TRP HB2 H 21.274 15.136 -12.855 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 18 . 4566 . 1 1 14 TRP HB3 H 22.773 15.990 -13.198 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 18 . 4567 . 1 1 14 TRP HD1 H 20.825 14.925 -9.996 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 18 . 4568 . 1 1 14 TRP HE1 H 22.504 14.268 -8.194 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4569 . 1 1 14 TRP HE3 H 25.105 16.040 -12.508 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 18 . 4570 . 1 1 14 TRP HH2 H 27.484 14.777 -9.135 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 18 . 4571 . 1 1 14 TRP HZ2 H 25.401 14.216 -7.883 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 18 . 4572 . 1 1 14 TRP HZ3 H 27.334 15.691 -11.444 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 18 . 4573 . 1 1 14 TRP N N 20.090 17.074 -11.548 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 18 . 4574 . 1 1 14 TRP NE1 N 22.794 14.617 -9.102 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 18 . 4575 . 1 1 14 TRP O O 21.742 17.907 -14.657 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 18 . 4576 . 1 1 15 THR C C 17.805 19.349 -15.088 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 18 . 4577 . 1 1 15 THR CA C 19.060 18.482 -15.340 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 18 . 4578 . 1 1 15 THR CB C 18.898 17.229 -16.241 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 18 . 4579 . 1 1 15 THR CG2 C 17.746 16.300 -15.828 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 18 . 4580 . 1 1 15 THR H H 18.900 17.932 -13.307 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 18 . 4581 . 1 1 15 THR HA H 19.810 19.130 -15.795 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 18 . 4582 . 1 1 15 THR HB H 19.813 16.641 -16.149 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 18 . 4583 . 1 1 15 THR HG1 H 19.649 17.877 -17.934 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 18 . 4584 . 1 1 15 THR HG21 H 17.916 15.929 -14.817 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 18 . 4585 . 1 1 15 THR HG22 H 17.703 15.444 -16.502 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 18 . 4586 . 1 1 15 THR HG23 H 16.794 16.829 -15.860 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 18 . 4587 . 1 1 15 THR N N 19.582 18.039 -14.051 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 18 . 4588 . 1 1 15 THR O O 17.624 19.833 -13.945 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 18 . 4589 . 1 1 15 THR OXT O 17.036 19.632 -16.035 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 18 . 4590 . 1 1 15 THR OG1 O 18.786 17.545 -17.621 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 19 . 4591 . 1 1 1 ASP C C -1.018 1.394 -3.472 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 19 . 4592 . 1 1 1 ASP CA C -1.416 -0.019 -3.061 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 19 . 4593 . 1 1 1 ASP CB C -0.727 -1.058 -3.961 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 19 . 4594 . 1 1 1 ASP CG C -0.894 -2.471 -3.392 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 19 . 4595 . 1 1 1 ASP H1 H -3.242 0.096 -3.988 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 19 . 4596 . 1 1 1 ASP H2 H -3.304 0.455 -2.395 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 19 . 4597 . 1 1 1 ASP H3 H -3.145 -1.116 -2.877 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 19 . 4598 . 1 1 1 ASP HA H -1.071 -0.191 -2.040 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 19 . 4599 . 1 1 1 ASP HB2 H -1.148 -1.015 -4.969 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4600 . 1 1 1 ASP HB3 H 0.338 -0.822 -4.031 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4601 . 1 1 1 ASP N N -2.890 -0.159 -3.079 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 19 . 4602 . 1 1 1 ASP O O -1.745 2.062 -4.211 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 19 . 4603 . 1 1 1 ASP OD1 O -2.054 -2.884 -3.155 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4604 . 1 1 1 ASP OD2 O 0.125 -3.166 -3.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4605 . 1 1 2 TRP C C 1.294 3.448 -4.614 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 19 . 4606 . 1 1 2 TRP CA C 0.654 3.224 -3.236 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 19 . 4607 . 1 1 2 TRP CB C 1.552 3.601 -2.043 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 19 . 4608 . 1 1 2 TRP CD1 C 2.781 1.597 -1.060 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4609 . 1 1 2 TRP CD2 C 4.098 2.876 -2.341 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4610 . 1 1 2 TRP CE2 C 4.897 1.781 -1.896 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4611 . 1 1 2 TRP CE3 C 4.723 3.840 -3.155 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 19 . 4612 . 1 1 2 TRP CG C 2.747 2.720 -1.813 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 19 . 4613 . 1 1 2 TRP CH2 C 6.830 2.610 -3.099 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 19 . 4614 . 1 1 2 TRP CZ2 C 6.245 1.644 -2.267 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 19 . 4615 . 1 1 2 TRP CZ3 C 6.071 3.709 -3.543 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 19 . 4616 . 1 1 2 TRP H H 0.753 1.244 -2.493 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 19 . 4617 . 1 1 2 TRP HA H -0.199 3.888 -3.246 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 19 . 4618 . 1 1 2 TRP HB2 H 1.899 4.627 -2.176 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4619 . 1 1 2 TRP HB3 H 0.942 3.594 -1.138 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4620 . 1 1 2 TRP HD1 H 1.945 1.189 -0.505 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4621 . 1 1 2 TRP HE1 H 4.286 0.183 -0.619 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4622 . 1 1 2 TRP HE3 H 4.140 4.687 -3.488 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 19 . 4623 . 1 1 2 TRP HH2 H 7.865 2.500 -3.389 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 19 . 4624 . 1 1 2 TRP HZ2 H 6.835 0.807 -1.924 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 19 . 4625 . 1 1 2 TRP HZ3 H 6.519 4.454 -4.187 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 19 . 4626 . 1 1 2 TRP N N 0.157 1.857 -3.034 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 19 . 4627 . 1 1 2 TRP NE1 N 4.043 1.037 -1.109 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4628 . 1 1 2 TRP O O 2.128 4.335 -4.797 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 19 . 4629 . 1 1 3 GLU C C 0.905 3.958 -7.633 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 19 . 4630 . 1 1 3 GLU CA C 1.404 2.680 -6.950 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 19 . 4631 . 1 1 3 GLU CB C 0.980 1.408 -7.691 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 19 . 4632 . 1 1 3 GLU CD C 3.153 1.041 -8.988 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 19 . 4633 . 1 1 3 GLU CG C 1.631 1.245 -9.073 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 19 . 4634 . 1 1 3 GLU H H 0.069 2.093 -5.391 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 19 . 4635 . 1 1 3 GLU HA H 2.487 2.688 -6.901 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 19 . 4636 . 1 1 3 GLU HB2 H 1.226 0.541 -7.078 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4637 . 1 1 3 GLU HB3 H -0.098 1.437 -7.813 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4638 . 1 1 3 GLU HG2 H 1.181 0.379 -9.563 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 19 . 4639 . 1 1 3 GLU HG3 H 1.404 2.116 -9.689 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 19 . 4640 . 1 1 3 GLU N N 0.890 2.644 -5.591 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 19 . 4641 . 1 1 3 GLU O O -0.295 4.250 -7.607 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 19 . 4642 . 1 1 3 GLU OE1 O 3.603 -0.122 -8.849 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4643 . 1 1 3 GLU OE2 O 3.910 2.037 -9.071 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4644 . 1 1 4 TYR C C 1.580 5.726 -10.476 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 19 . 4645 . 1 1 4 TYR CA C 1.514 5.952 -8.961 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 19 . 4646 . 1 1 4 TYR CB C 2.454 7.084 -8.520 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 19 . 4647 . 1 1 4 TYR CD1 C 0.752 8.578 -7.373 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4648 . 1 1 4 TYR CD2 C 2.163 9.536 -9.110 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4649 . 1 1 4 TYR CE1 C 0.109 9.817 -7.205 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4650 . 1 1 4 TYR CE2 C 1.527 10.779 -8.949 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4651 . 1 1 4 TYR CG C 1.774 8.429 -8.331 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 19 . 4652 . 1 1 4 TYR CZ C 0.493 10.926 -7.995 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 19 . 4653 . 1 1 4 TYR H H 2.785 4.414 -8.239 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 19 . 4654 . 1 1 4 TYR HA H 0.505 6.273 -8.727 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 19 . 4655 . 1 1 4 TYR HB2 H 2.944 6.818 -7.582 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4656 . 1 1 4 TYR HB3 H 3.210 7.186 -9.292 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4657 . 1 1 4 TYR HD1 H 0.456 7.735 -6.762 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4658 . 1 1 4 TYR HD2 H 2.965 9.442 -9.826 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4659 . 1 1 4 TYR HE1 H -0.677 9.916 -6.468 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4660 . 1 1 4 TYR HE2 H 1.835 11.625 -9.550 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4661 . 1 1 4 TYR HH H -0.813 12.135 -7.163 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 19 . 4662 . 1 1 4 TYR N N 1.821 4.723 -8.231 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 19 . 4663 . 1 1 4 TYR O O 1.954 4.649 -10.948 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 19 . 4664 . 1 1 4 TYR OH O -0.120 12.135 -7.842 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 19 . 4665 . 1 1 5 HIS C C 2.581 7.569 -13.071 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 19 . 4666 . 1 1 5 HIS CA C 1.306 6.811 -12.678 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 19 . 4667 . 1 1 5 HIS CB C 0.031 7.464 -13.257 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 19 . 4668 . 1 1 5 HIS CD2 C -1.408 5.566 -14.206 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4669 . 1 1 5 HIS CE1 C -1.166 5.935 -16.377 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4670 . 1 1 5 HIS CG C -0.592 6.654 -14.368 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 19 . 4671 . 1 1 5 HIS H H 1.066 7.642 -10.733 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 19 . 4672 . 1 1 5 HIS HA H 1.369 5.793 -13.061 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 19 . 4673 . 1 1 5 HIS HB2 H -0.706 7.592 -12.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4674 . 1 1 5 HIS HB3 H 0.243 8.461 -13.647 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4675 . 1 1 5 HIS HD1 H 0.083 7.615 -16.167 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4676 . 1 1 5 HIS HD2 H -1.727 5.128 -13.267 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4677 . 1 1 5 HIS HE1 H -1.257 5.847 -17.453 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4678 . 1 1 5 HIS HE2 H -2.357 4.338 -15.688 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4679 . 1 1 5 HIS N N 1.244 6.778 -11.222 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 19 . 4680 . 1 1 5 HIS ND1 N -0.451 6.874 -15.728 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 19 . 4681 . 1 1 5 HIS NE2 N -1.756 5.128 -15.472 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4682 . 1 1 5 HIS O O 3.528 6.993 -13.609 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 19 . 4683 . 1 1 6 ALA C C 4.737 9.809 -11.922 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 19 . 4684 . 1 1 6 ALA CA C 3.733 9.768 -13.075 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 19 . 4685 . 1 1 6 ALA CB C 3.177 11.154 -13.422 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 19 . 4686 . 1 1 6 ALA H H 1.829 9.255 -12.262 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 19 . 4687 . 1 1 6 ALA HA H 4.262 9.368 -13.946 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 19 . 4688 . 1 1 6 ALA HB1 H 4.002 11.812 -13.699 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 19 . 4689 . 1 1 6 ALA HB2 H 2.484 11.081 -14.260 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4690 . 1 1 6 ALA HB3 H 2.666 11.577 -12.555 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4691 . 1 1 6 ALA N N 2.629 8.867 -12.746 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 19 . 4692 . 1 1 6 ALA O O 5.007 10.861 -11.339 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 19 . 4693 . 1 1 7 HIS C C 7.513 9.262 -10.825 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 19 . 4694 . 1 1 7 HIS CA C 6.240 8.435 -10.542 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 19 . 4695 . 1 1 7 HIS CB C 6.562 6.941 -10.384 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 19 . 4696 . 1 1 7 HIS CD2 C 5.651 5.072 -11.883 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4697 . 1 1 7 HIS CE1 C 6.731 5.517 -13.765 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4698 . 1 1 7 HIS CG C 6.502 6.119 -11.653 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 19 . 4699 . 1 1 7 HIS H H 4.939 7.810 -12.059 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 19 . 4700 . 1 1 7 HIS HA H 5.782 8.771 -9.619 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 19 . 4701 . 1 1 7 HIS HB2 H 7.560 6.853 -9.963 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4702 . 1 1 7 HIS HB3 H 5.882 6.535 -9.637 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4703 . 1 1 7 HIS HD1 H 7.856 7.117 -12.991 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4704 . 1 1 7 HIS HD2 H 4.939 4.646 -11.186 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4705 . 1 1 7 HIS HE1 H 7.021 5.517 -14.808 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4706 . 1 1 7 HIS HE2 H 5.294 3.977 -13.692 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4707 . 1 1 7 HIS N N 5.233 8.629 -11.561 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 19 . 4708 . 1 1 7 HIS ND1 N 7.180 6.378 -12.833 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 19 . 4709 . 1 1 7 HIS NE2 N 5.816 4.701 -13.206 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4710 . 1 1 7 HIS O O 7.835 9.522 -11.994 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 19 . 4711 . 1 1 8 PRO C C 10.584 9.987 -10.549 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 19 . 4712 . 1 1 8 PRO CA C 9.371 10.567 -9.821 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 19 . 4713 . 1 1 8 PRO CB C 9.684 10.903 -8.359 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 19 . 4714 . 1 1 8 PRO CD C 8.026 9.208 -8.391 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 19 . 4715 . 1 1 8 PRO CG C 9.228 9.675 -7.583 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 19 . 4716 . 1 1 8 PRO HA H 9.072 11.481 -10.340 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 19 . 4717 . 1 1 8 PRO HB2 H 10.742 11.064 -8.197 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4718 . 1 1 8 PRO HB3 H 9.102 11.773 -8.049 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4719 . 1 1 8 PRO HD2 H 7.941 8.126 -8.323 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4720 . 1 1 8 PRO HD3 H 7.121 9.678 -8.019 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 19 . 4721 . 1 1 8 PRO HG2 H 10.008 8.911 -7.609 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 19 . 4722 . 1 1 8 PRO HG3 H 8.957 9.918 -6.555 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 19 . 4723 . 1 1 8 PRO N N 8.255 9.635 -9.765 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 19 . 4724 . 1 1 8 PRO O O 10.776 8.773 -10.640 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 19 . 4725 . 1 1 9 LYS C C 13.783 10.426 -10.611 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 19 . 4726 . 1 1 9 LYS CA C 12.694 10.611 -11.689 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 19 . 4727 . 1 1 9 LYS CB C 13.026 11.787 -12.623 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 19 . 4728 . 1 1 9 LYS CD C 10.946 11.713 -14.196 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 19 . 4729 . 1 1 9 LYS CE C 10.272 10.333 -14.097 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 19 . 4730 . 1 1 9 LYS CG C 12.481 11.692 -14.060 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 19 . 4731 . 1 1 9 LYS H H 11.221 11.876 -10.898 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 19 . 4732 . 1 1 9 LYS HA H 12.614 9.690 -12.268 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 19 . 4733 . 1 1 9 LYS HB2 H 12.661 12.705 -12.164 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4734 . 1 1 9 LYS HB3 H 14.107 11.884 -12.691 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4735 . 1 1 9 LYS HD2 H 10.530 12.366 -13.427 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4736 . 1 1 9 LYS HD3 H 10.687 12.154 -15.160 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 19 . 4737 . 1 1 9 LYS HE2 H 10.608 9.826 -13.192 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4738 . 1 1 9 LYS HE3 H 9.193 10.483 -14.009 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 19 . 4739 . 1 1 9 LYS HG2 H 12.866 12.558 -14.600 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 19 . 4740 . 1 1 9 LYS HG3 H 12.890 10.806 -14.544 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 19 . 4741 . 1 1 9 LYS HZ1 H 10.202 9.916 -16.126 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 19 . 4742 . 1 1 9 LYS HZ2 H 10.068 8.587 -15.189 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 19 . 4743 . 1 1 9 LYS HZ3 H 11.526 9.294 -15.390 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 19 . 4744 . 1 1 9 LYS N N 11.414 10.897 -11.058 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 19 . 4745 . 1 1 9 LYS NZ N 10.539 9.476 -15.281 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 19 . 4746 . 1 1 9 LYS O O 13.611 10.900 -9.483 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 19 . 4747 . 1 1 10 HYP C C 16.849 10.728 -9.787 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 19 . 4748 . 1 1 10 HYP CA C 15.980 9.478 -9.992 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 19 . 4749 . 1 1 10 HYP CB C 16.713 8.268 -10.586 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 19 . 4750 . 1 1 10 HYP CD C 15.196 9.169 -12.236 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 19 . 4751 . 1 1 10 HYP CG C 16.524 8.422 -12.097 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 19 . 4752 . 1 1 10 HYP HA H 15.560 9.191 -9.026 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 19 . 4753 . 1 1 10 HYP HB2 H 17.766 8.233 -10.301 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4754 . 1 1 10 HYP HB3 H 16.218 7.361 -10.245 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4755 . 1 1 10 HYP HD1 H 17.374 6.798 -12.736 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4756 . 1 1 10 HYP HD22 H 14.393 8.481 -12.503 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 19 . 4757 . 1 1 10 HYP HD23 H 15.297 9.942 -13.000 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 19 . 4758 . 1 1 10 HYP HG H 17.325 9.036 -12.507 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 19 . 4759 . 1 1 10 HYP N N 14.910 9.766 -10.938 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 19 . 4760 . 1 1 10 HYP O O 16.517 11.590 -8.973 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 19 . 4761 . 1 1 10 HYP OD1 O 16.472 7.171 -12.751 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4762 . 1 1 11 ASN C C 18.444 13.217 -11.169 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 19 . 4763 . 1 1 11 ASN CA C 18.926 11.947 -10.451 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 19 . 4764 . 1 1 11 ASN CB C 20.299 11.467 -10.951 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 19 . 4765 . 1 1 11 ASN CG C 20.385 11.260 -12.469 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 19 . 4766 . 1 1 11 ASN H H 18.134 10.141 -11.222 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 19 . 4767 . 1 1 11 ASN HA H 19.039 12.202 -9.395 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 19 . 4768 . 1 1 11 ASN HB2 H 21.031 12.216 -10.651 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4769 . 1 1 11 ASN HB3 H 20.558 10.538 -10.446 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4770 . 1 1 11 ASN HD21 H 22.168 12.231 -12.588 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 19 . 4771 . 1 1 11 ASN HD22 H 21.525 11.622 -14.111 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 19 . 4772 . 1 1 11 ASN N N 17.946 10.859 -10.536 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 19 . 4773 . 1 1 11 ASN ND2 N 21.450 11.736 -13.106 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 19 . 4774 . 1 1 11 ASN O O 19.181 13.865 -11.912 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 19 . 4775 . 1 1 11 ASN OD1 O 19.502 10.658 -13.079 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4776 . 1 1 12 SER C C 17.266 16.026 -11.351 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 19 . 4777 . 1 1 12 SER CA C 16.517 14.704 -11.589 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 19 . 4778 . 1 1 12 SER CB C 15.067 14.747 -11.077 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 19 . 4779 . 1 1 12 SER H H 16.668 13.046 -10.256 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 19 . 4780 . 1 1 12 SER HA H 16.524 14.508 -12.653 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 19 . 4781 . 1 1 12 SER HB2 H 14.664 13.733 -11.071 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4782 . 1 1 12 SER HB3 H 15.062 15.121 -10.053 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4783 . 1 1 12 SER HG H 13.327 15.555 -11.503 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 19 . 4784 . 1 1 12 SER N N 17.187 13.586 -10.935 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 19 . 4785 . 1 1 12 SER O O 17.326 16.888 -12.230 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 19 . 4786 . 1 1 12 SER OG O 14.226 15.549 -11.890 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 19 . 4787 . 1 1 13 . C C 19.894 17.662 -10.461 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 19 . 4788 . 1 1 13 . CA C 18.638 17.285 -9.654 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 19 . 4789 . 1 1 13 . CB C 17.691 18.471 -9.529 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 19 . 4790 . 1 1 13 . CD1 C 16.838 18.339 -7.144 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4791 . 1 1 13 . CD2 C 15.269 17.968 -8.970 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4792 . 1 1 13 . CE1 C 15.808 18.106 -6.215 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4793 . 1 1 13 . CE2 C 14.241 17.735 -8.040 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4794 . 1 1 13 . CG C 16.571 18.270 -8.525 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 19 . 4795 . 1 1 13 . CZ C 14.509 17.804 -6.662 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 19 . 4796 . 1 1 13 . H H 17.778 15.355 -9.557 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 19 . 4797 . 1 1 13 . HA H 18.982 17.023 -8.653 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 19 . 4798 . 1 1 13 . HB2 H 17.270 18.691 -10.504 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4799 . 1 1 13 . HB3 H 18.303 19.315 -9.247 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4800 . 1 1 13 . HD1 H 17.836 18.562 -6.794 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4801 . 1 1 13 . HD2 H 15.056 17.904 -10.029 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4802 . 1 1 13 . HE1 H 16.019 18.152 -5.155 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4803 . 1 1 13 . HE2 H 13.245 17.496 -8.386 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4804 . 1 1 13 . HZ H 13.719 17.622 -5.946 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 19 . 4805 . 1 1 13 . N N 17.901 16.133 -10.178 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 19 . 4806 . 1 1 13 . O O 20.546 18.671 -10.181 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 19 . 4807 . 1 1 14 TRP C C 21.109 17.249 -13.737 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 19 . 4808 . 1 1 14 TRP CA C 21.431 16.930 -12.270 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 19 . 4809 . 1 1 14 TRP CB C 22.153 15.586 -12.150 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 19 . 4810 . 1 1 14 TRP CD1 C 21.909 14.754 -9.754 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4811 . 1 1 14 TRP CD2 C 24.003 15.373 -10.245 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 19 . 4812 . 1 1 14 TRP CE2 C 24.013 14.925 -8.890 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 19 . 4813 . 1 1 14 TRP CE3 C 25.222 15.838 -10.779 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 19 . 4814 . 1 1 14 TRP CG C 22.651 15.239 -10.776 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 19 . 4815 . 1 1 14 TRP CH2 C 26.382 15.390 -8.676 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 19 . 4816 . 1 1 14 TRP CZ2 C 25.181 14.928 -8.110 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 19 . 4817 . 1 1 14 TRP CZ3 C 26.400 15.847 -10.007 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 19 . 4818 . 1 1 14 TRP H H 19.665 16.036 -11.585 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 19 . 4819 . 1 1 14 TRP HA H 22.071 17.725 -11.898 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 19 . 4820 . 1 1 14 TRP HB2 H 21.490 14.790 -12.500 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 19 . 4821 . 1 1 14 TRP HB3 H 23.006 15.620 -12.820 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 19 . 4822 . 1 1 14 TRP HD1 H 20.846 14.558 -9.797 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 19 . 4823 . 1 1 14 TRP HE1 H 22.351 14.200 -7.765 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4824 . 1 1 14 TRP HE3 H 25.238 16.196 -11.798 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 19 . 4825 . 1 1 14 TRP HH2 H 27.290 15.399 -8.087 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 19 . 4826 . 1 1 14 TRP HZ2 H 25.156 14.581 -7.086 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 19 . 4827 . 1 1 14 TRP HZ3 H 27.324 16.208 -10.440 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 19 . 4828 . 1 1 14 TRP N N 20.242 16.842 -11.445 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 19 . 4829 . 1 1 14 TRP NE1 N 22.706 14.559 -8.645 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 19 . 4830 . 1 1 14 TRP O O 22.029 17.464 -14.531 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 19 . 4831 . 1 1 15 THR C C 19.562 19.136 -15.627 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 19 . 4832 . 1 1 15 THR CA C 19.368 17.624 -15.440 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 19 . 4833 . 1 1 15 THR CB C 17.909 17.164 -15.628 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 19 . 4834 . 1 1 15 THR CG2 C 17.430 17.352 -17.073 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 19 . 4835 . 1 1 15 THR H H 19.127 17.127 -13.389 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 19 . 4836 . 1 1 15 THR HA H 19.989 17.100 -16.168 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 19 . 4837 . 1 1 15 THR HB H 17.265 17.744 -14.964 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 19 . 4838 . 1 1 15 THR HG1 H 16.842 15.563 -15.255 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 19 . 4839 . 1 1 15 THR HG21 H 18.073 16.799 -17.759 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 19 . 4840 . 1 1 15 THR HG22 H 17.454 18.410 -17.337 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 19 . 4841 . 1 1 15 THR HG23 H 16.404 16.998 -17.175 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 19 . 4842 . 1 1 15 THR N N 19.827 17.268 -14.103 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 19 . 4843 . 1 1 15 THR O O 20.155 19.544 -16.652 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 19 . 4844 . 1 1 15 THR OXT O 19.160 19.919 -14.733 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 19 . 4845 . 1 1 15 THR OG1 O 17.790 15.785 -15.295 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 1 . 20 . 4846 . 1 1 1 ASP C C -0.920 1.822 -3.084 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c15272_2jqb 1 . 20 . 4847 . 1 1 1 ASP CA C -1.520 0.485 -2.666 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c15272_2jqb 1 . 20 . 4848 . 1 1 1 ASP CB C -1.265 -0.580 -3.746 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c15272_2jqb 1 . 20 . 4849 . 1 1 1 ASP CG C -1.621 -1.979 -3.230 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c15272_2jqb 1 . 20 . 4850 . 1 1 1 ASP H1 H -3.426 1.052 -3.173 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c15272_2jqb 1 . 20 . 4851 . 1 1 1 ASP H2 H -3.092 1.261 -1.586 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H2 . . . . . . . . . c15272_2jqb 1 . 20 . 4852 . 1 1 1 ASP H3 H -3.374 -0.256 -2.174 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H3 . . . . . . . . . c15272_2jqb 1 . 20 . 4853 . 1 1 1 ASP HA H -1.025 0.152 -1.753 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c15272_2jqb 1 . 20 . 4854 . 1 1 1 ASP HB2 H -1.856 -0.356 -4.636 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4855 . 1 1 1 ASP HB3 H -0.210 -0.558 -4.028 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4856 . 1 1 1 ASP N N -2.964 0.645 -2.374 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c15272_2jqb 1 . 20 . 4857 . 1 1 1 ASP O O -1.613 2.671 -3.648 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c15272_2jqb 1 . 20 . 4858 . 1 1 1 ASP OD1 O -2.773 -2.169 -2.772 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4859 . 1 1 1 ASP OD2 O -0.754 -2.884 -3.266 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4860 . 1 1 2 TRP C C 1.576 3.425 -4.554 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c15272_2jqb 1 . 20 . 4861 . 1 1 2 TRP CA C 1.099 3.272 -3.102 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c15272_2jqb 1 . 20 . 4862 . 1 1 2 TRP CB C 2.208 3.431 -2.046 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c15272_2jqb 1 . 20 . 4863 . 1 1 2 TRP CD1 C 3.201 1.195 -1.335 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4864 . 1 1 2 TRP CD2 C 4.540 2.336 -2.720 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4865 . 1 1 2 TRP CE2 C 5.200 1.105 -2.433 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4866 . 1 1 2 TRP CE3 C 5.209 3.244 -3.566 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 20 . 4867 . 1 1 2 TRP CG C 3.258 2.358 -2.024 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c15272_2jqb 1 . 20 . 4868 . 1 1 2 TRP CH2 C 7.082 1.703 -3.835 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 20 . 4869 . 1 1 2 TRP CZ2 C 6.453 0.786 -2.980 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 20 . 4870 . 1 1 2 TRP CZ3 C 6.462 2.932 -4.127 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 20 . 4871 . 1 1 2 TRP H H 0.926 1.264 -2.449 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c15272_2jqb 1 . 20 . 4872 . 1 1 2 TRP HA H 0.393 4.082 -2.986 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c15272_2jqb 1 . 20 . 4873 . 1 1 2 TRP HB2 H 2.700 4.392 -2.201 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4874 . 1 1 2 TRP HB3 H 1.741 3.475 -1.061 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4875 . 1 1 2 TRP HD1 H 2.386 0.886 -0.692 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4876 . 1 1 2 TRP HE1 H 4.499 -0.462 -1.164 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4877 . 1 1 2 TRP HE3 H 4.732 4.190 -3.784 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 20 . 4878 . 1 1 2 TRP HH2 H 8.044 1.456 -4.259 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 20 . 4879 . 1 1 2 TRP HZ2 H 6.938 -0.152 -2.755 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 20 . 4880 . 1 1 2 TRP HZ3 H 6.947 3.640 -4.787 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 20 . 4881 . 1 1 2 TRP N N 0.382 2.016 -2.850 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c15272_2jqb 1 . 20 . 4882 . 1 1 2 TRP NE1 N 4.338 0.450 -1.578 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4883 . 1 1 2 TRP O O 2.517 4.162 -4.849 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c15272_2jqb 1 . 20 . 4884 . 1 1 3 GLU C C 0.769 4.038 -7.499 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . c15272_2jqb 1 . 20 . 4885 . 1 1 3 GLU CA C 1.217 2.709 -6.883 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . c15272_2jqb 1 . 20 . 4886 . 1 1 3 GLU CB C 0.542 1.498 -7.531 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . c15272_2jqb 1 . 20 . 4887 . 1 1 3 GLU CD C 0.334 0.040 -9.597 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . c15272_2jqb 1 . 20 . 4888 . 1 1 3 GLU CG C 0.990 1.287 -8.984 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . c15272_2jqb 1 . 20 . 4889 . 1 1 3 GLU H H 0.051 2.303 -5.148 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . c15272_2jqb 1 . 20 . 4890 . 1 1 3 GLU HA H 2.289 2.585 -7.006 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . c15272_2jqb 1 . 20 . 4891 . 1 1 3 GLU HB2 H 0.786 0.611 -6.947 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4892 . 1 1 3 GLU HB3 H -0.532 1.644 -7.499 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4893 . 1 1 3 GLU HG2 H 0.723 2.164 -9.576 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . c15272_2jqb 1 . 20 . 4894 . 1 1 3 GLU HG3 H 2.076 1.181 -9.012 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . c15272_2jqb 1 . 20 . 4895 . 1 1 3 GLU N N 0.909 2.726 -5.464 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . c15272_2jqb 1 . 20 . 4896 . 1 1 3 GLU O O -0.405 4.406 -7.401 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . c15272_2jqb 1 . 20 . 4897 . 1 1 3 GLU OE1 O -0.781 0.150 -10.161 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4898 . 1 1 3 GLU OE2 O 0.934 -1.060 -9.532 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4899 . 1 1 4 TYR C C 1.576 5.750 -10.382 . . . 1.0 . . . . . . . . . . . . A . 4 TYR C . . . . . . . . . c15272_2jqb 1 . 20 . 4900 . 1 1 4 TYR CA C 1.432 5.984 -8.874 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CA . . . . . . . . . c15272_2jqb 1 . 20 . 4901 . 1 1 4 TYR CB C 2.361 7.107 -8.393 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CB . . . . . . . . . c15272_2jqb 1 . 20 . 4902 . 1 1 4 TYR CD1 C 0.627 8.604 -7.300 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4903 . 1 1 4 TYR CD2 C 2.106 9.564 -8.979 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4904 . 1 1 4 TYR CE1 C -0.014 9.846 -7.148 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4905 . 1 1 4 TYR CE2 C 1.472 10.811 -8.834 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4906 . 1 1 4 TYR CG C 1.683 8.455 -8.221 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CG . . . . . . . . . c15272_2jqb 1 . 20 . 4907 . 1 1 4 TYR CZ C 0.404 10.957 -7.917 . . . 1.0 . . . . . . . . . . . . A . 4 TYR CZ . . . . . . . . . c15272_2jqb 1 . 20 . 4908 . 1 1 4 TYR H H 2.655 4.420 -8.149 . . . 1.0 . . . . . . . . . . . . A . 4 TYR H . . . . . . . . . c15272_2jqb 1 . 20 . 4909 . 1 1 4 TYR HA H 0.414 6.311 -8.689 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HA . . . . . . . . . c15272_2jqb 1 . 20 . 4910 . 1 1 4 TYR HB2 H 2.814 6.826 -7.442 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4911 . 1 1 4 TYR HB3 H 3.148 7.208 -9.135 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4912 . 1 1 4 TYR HD1 H 0.303 7.760 -6.705 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4913 . 1 1 4 TYR HD2 H 2.932 9.469 -9.666 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4914 . 1 1 4 TYR HE1 H -0.826 9.950 -6.441 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4915 . 1 1 4 TYR HE2 H 1.810 11.655 -9.420 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4916 . 1 1 4 TYR HH H 0.139 12.860 -8.332 . . . 1.0 . . . . . . . . . . . . A . 4 TYR HH . . . . . . . . . c15272_2jqb 1 . 20 . 4917 . 1 1 4 TYR N N 1.702 4.756 -8.130 . . . 1.0 . . . . . . . . . . . . A . 4 TYR N . . . . . . . . . c15272_2jqb 1 . 20 . 4918 . 1 1 4 TYR O O 1.978 4.670 -10.825 . . . 1.0 . . . . . . . . . . . . A . 4 TYR O . . . . . . . . . c15272_2jqb 1 . 20 . 4919 . 1 1 4 TYR OH O -0.221 12.160 -7.765 . . . 1.0 . . . . . . . . . . . . A . 4 TYR OH . . . . . . . . . c15272_2jqb 1 . 20 . 4920 . 1 1 5 HIS C C 2.679 7.603 -12.947 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c15272_2jqb 1 . 20 . 4921 . 1 1 5 HIS CA C 1.403 6.823 -12.602 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c15272_2jqb 1 . 20 . 4922 . 1 1 5 HIS CB C 0.141 7.450 -13.238 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c15272_2jqb 1 . 20 . 4923 . 1 1 5 HIS CD2 C -1.235 5.521 -14.215 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4924 . 1 1 5 HIS CE1 C -0.917 5.866 -16.381 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4925 . 1 1 5 HIS CG C -0.428 6.617 -14.361 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c15272_2jqb 1 . 20 . 4926 . 1 1 5 HIS H H 1.078 7.665 -10.675 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c15272_2jqb 1 . 20 . 4927 . 1 1 5 HIS HA H 1.499 5.805 -12.977 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c15272_2jqb 1 . 20 . 4928 . 1 1 5 HIS HB2 H -0.626 7.577 -12.476 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4929 . 1 1 5 HIS HB3 H 0.355 8.445 -13.631 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4930 . 1 1 5 HIS HD1 H 0.302 7.564 -16.145 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4931 . 1 1 5 HIS HD2 H -1.583 5.091 -13.283 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4932 . 1 1 5 HIS HE1 H -0.967 5.764 -17.458 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4933 . 1 1 5 HIS HE2 H -2.114 4.262 -15.714 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4934 . 1 1 5 HIS N N 1.279 6.798 -11.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c15272_2jqb 1 . 20 . 4935 . 1 1 5 HIS ND1 N -0.238 6.822 -15.717 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 20 . 4936 . 1 1 5 HIS NE2 N -1.530 5.063 -15.487 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4937 . 1 1 5 HIS O O 3.656 7.043 -13.447 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c15272_2jqb 1 . 20 . 4938 . 1 1 6 ALA C C 4.781 9.818 -11.720 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c15272_2jqb 1 . 20 . 4939 . 1 1 6 ALA CA C 3.802 9.819 -12.894 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c15272_2jqb 1 . 20 . 4940 . 1 1 6 ALA CB C 3.247 11.216 -13.200 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c15272_2jqb 1 . 20 . 4941 . 1 1 6 ALA H H 1.871 9.280 -12.173 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c15272_2jqb 1 . 20 . 4942 . 1 1 6 ALA HA H 4.349 9.455 -13.770 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c15272_2jqb 1 . 20 . 4943 . 1 1 6 ALA HB1 H 2.573 11.172 -14.056 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c15272_2jqb 1 . 20 . 4944 . 1 1 6 ALA HB2 H 2.715 11.605 -12.330 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4945 . 1 1 6 ALA HB3 H 4.074 11.887 -13.436 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4946 . 1 1 6 ALA N N 2.695 8.902 -12.622 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c15272_2jqb 1 . 20 . 4947 . 1 1 6 ALA O O 5.037 10.848 -11.092 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c15272_2jqb 1 . 20 . 4948 . 1 1 7 HIS C C 7.539 9.236 -10.591 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . c15272_2jqb 1 . 20 . 4949 . 1 1 7 HIS CA C 6.267 8.390 -10.372 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . c15272_2jqb 1 . 20 . 4950 . 1 1 7 HIS CB C 6.607 6.893 -10.297 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . c15272_2jqb 1 . 20 . 4951 . 1 1 7 HIS CD2 C 5.839 5.092 -11.951 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4952 . 1 1 7 HIS CE1 C 6.967 5.707 -13.756 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4953 . 1 1 7 HIS CG C 6.628 6.160 -11.620 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . c15272_2jqb 1 . 20 . 4954 . 1 1 7 HIS H H 4.983 7.827 -11.928 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . c15272_2jqb 1 . 20 . 4955 . 1 1 7 HIS HA H 5.795 8.669 -9.437 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . c15272_2jqb 1 . 20 . 4956 . 1 1 7 HIS HB2 H 7.585 6.793 -9.837 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4957 . 1 1 7 HIS HB3 H 5.903 6.427 -9.610 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4958 . 1 1 7 HIS HD1 H 7.982 7.304 -12.838 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 4959 . 1 1 7 HIS HD2 H 5.124 4.589 -11.310 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4960 . 1 1 7 HIS HE1 H 7.297 5.787 -14.783 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 4961 . 1 1 7 HIS HE2 H 5.604 4.102 -13.838 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4962 . 1 1 7 HIS N N 5.274 8.626 -11.394 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . c15272_2jqb 1 . 20 . 4963 . 1 1 7 HIS ND1 N 7.338 6.526 -12.754 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . c15272_2jqb 1 . 20 . 4964 . 1 1 7 HIS NE2 N 6.071 4.816 -13.287 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4965 . 1 1 7 HIS O O 7.872 9.564 -11.740 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . c15272_2jqb 1 . 20 . 4966 . 1 1 8 PRO C C 10.618 9.852 -10.247 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c15272_2jqb 1 . 20 . 4967 . 1 1 8 PRO CA C 9.415 10.438 -9.505 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c15272_2jqb 1 . 20 . 4968 . 1 1 8 PRO CB C 9.724 10.696 -8.027 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c15272_2jqb 1 . 20 . 4969 . 1 1 8 PRO CD C 8.015 9.055 -8.155 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c15272_2jqb 1 . 20 . 4970 . 1 1 8 PRO CG C 9.217 9.452 -7.311 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c15272_2jqb 1 . 20 . 4971 . 1 1 8 PRO HA H 9.139 11.381 -9.981 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c15272_2jqb 1 . 20 . 4972 . 1 1 8 PRO HB2 H 10.786 10.810 -7.849 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4973 . 1 1 8 PRO HB3 H 9.172 11.574 -7.687 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4974 . 1 1 8 PRO HD2 H 7.898 7.973 -8.137 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4975 . 1 1 8 PRO HD3 H 7.119 9.533 -7.774 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c15272_2jqb 1 . 20 . 4976 . 1 1 8 PRO HG2 H 9.973 8.667 -7.356 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c15272_2jqb 1 . 20 . 4977 . 1 1 8 PRO HG3 H 8.937 9.662 -6.278 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c15272_2jqb 1 . 20 . 4978 . 1 1 8 PRO N N 8.273 9.539 -9.503 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c15272_2jqb 1 . 20 . 4979 . 1 1 8 PRO O O 10.768 8.636 -10.384 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c15272_2jqb 1 . 20 . 4980 . 1 1 9 LYS C C 13.892 10.395 -10.349 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c15272_2jqb 1 . 20 . 4981 . 1 1 9 LYS CA C 12.744 10.447 -11.380 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c15272_2jqb 1 . 20 . 4982 . 1 1 9 LYS CB C 12.986 11.535 -12.442 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c15272_2jqb 1 . 20 . 4983 . 1 1 9 LYS CD C 10.853 11.073 -13.824 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c15272_2jqb 1 . 20 . 4984 . 1 1 9 LYS CE C 10.262 11.028 -15.243 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c15272_2jqb 1 . 20 . 4985 . 1 1 9 LYS CG C 12.384 11.225 -13.824 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c15272_2jqb 1 . 20 . 4986 . 1 1 9 LYS H H 11.333 11.729 -10.512 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c15272_2jqb 1 . 20 . 4987 . 1 1 9 LYS HA H 12.668 9.474 -11.866 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c15272_2jqb 1 . 20 . 4988 . 1 1 9 LYS HB2 H 12.591 12.483 -12.080 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 4989 . 1 1 9 LYS HB3 H 14.055 11.676 -12.567 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 4990 . 1 1 9 LYS HD2 H 10.568 10.168 -13.284 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 4991 . 1 1 9 LYS HD3 H 10.415 11.928 -13.306 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c15272_2jqb 1 . 20 . 4992 . 1 1 9 LYS HE2 H 9.173 11.025 -15.161 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c15272_2jqb 1 . 20 . 4993 . 1 1 9 LYS HE3 H 10.556 11.934 -15.776 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c15272_2jqb 1 . 20 . 4994 . 1 1 9 LYS HG2 H 12.652 12.043 -14.495 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c15272_2jqb 1 . 20 . 4995 . 1 1 9 LYS HG3 H 12.839 10.311 -14.206 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c15272_2jqb 1 . 20 . 4996 . 1 1 9 LYS HZ1 H 10.250 9.837 -16.930 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c15272_2jqb 1 . 20 . 4997 . 1 1 9 LYS HZ2 H 10.425 8.983 -15.550 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c15272_2jqb 1 . 20 . 4998 . 1 1 9 LYS HZ3 H 11.689 9.833 -16.162 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c15272_2jqb 1 . 20 . 4999 . 1 1 9 LYS N N 11.487 10.751 -10.710 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c15272_2jqb 1 . 20 . 5000 . 1 1 9 LYS NZ N 10.689 9.837 -16.020 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c15272_2jqb 1 . 20 . 5001 . 1 1 9 LYS O O 13.743 10.933 -9.247 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c15272_2jqb 1 . 20 . 5002 . 1 1 10 HYP C C 16.972 10.892 -9.672 . . . 1.0 . . . . . . . . . . . . A . 10 HYP C . . . . . . . . . c15272_2jqb 1 . 20 . 5003 . 1 1 10 HYP CA C 16.158 9.593 -9.773 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CA . . . . . . . . . c15272_2jqb 1 . 20 . 5004 . 1 1 10 HYP CB C 16.926 8.384 -10.324 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CB . . . . . . . . . c15272_2jqb 1 . 20 . 5005 . 1 1 10 HYP CD C 15.295 9.095 -11.952 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CD . . . . . . . . . c15272_2jqb 1 . 20 . 5006 . 1 1 10 HYP CG C 16.677 8.450 -11.832 . . . 1.0 . . . . . . . . . . . . A . 10 HYP CG . . . . . . . . . c15272_2jqb 1 . 20 . 5007 . 1 1 10 HYP HA H 15.791 9.343 -8.776 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HA . . . . . . . . . c15272_2jqb 1 . 20 . 5008 . 1 1 10 HYP HB2 H 17.989 8.410 -10.078 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 5009 . 1 1 10 HYP HB3 H 16.485 7.475 -9.920 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 5010 . 1 1 10 HYP HD1 H 16.659 7.280 -13.379 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5011 . 1 1 10 HYP HD22 H 14.527 8.338 -12.118 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD22 . . . . . . . . . c15272_2jqb 1 . 20 . 5012 . 1 1 10 HYP HD23 H 15.302 9.809 -12.777 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HD23 . . . . . . . . . c15272_2jqb 1 . 20 . 5013 . 1 1 10 HYP HG H 17.423 9.097 -12.293 . . . 1.0 . . . . . . . . . . . . A . 10 HYP HG . . . . . . . . . c15272_2jqb 1 . 20 . 5014 . 1 1 10 HYP N N 15.037 9.772 -10.687 . . . 1.0 . . . . . . . . . . . . A . 10 HYP N . . . . . . . . . c15272_2jqb 1 . 20 . 5015 . 1 1 10 HYP O O 16.611 11.794 -8.916 . . . 1.0 . . . . . . . . . . . . A . 10 HYP O . . . . . . . . . c15272_2jqb 1 . 20 . 5016 . 1 1 10 HYP OD1 O 16.710 7.163 -12.412 . . . 1.0 . . . . . . . . . . . . A . 10 HYP OD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5017 . 1 1 11 ASN C C 18.493 13.369 -11.176 . . . 1.0 . . . . . . . . . . . . A . 11 ASN C . . . . . . . . . c15272_2jqb 1 . 20 . 5018 . 1 1 11 ASN CA C 19.008 12.137 -10.414 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CA . . . . . . . . . c15272_2jqb 1 . 20 . 5019 . 1 1 11 ASN CB C 20.386 11.667 -10.908 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CB . . . . . . . . . c15272_2jqb 1 . 20 . 5020 . 1 1 11 ASN CG C 20.470 11.435 -12.422 . . . 1.0 . . . . . . . . . . . . A . 11 ASN CG . . . . . . . . . c15272_2jqb 1 . 20 . 5021 . 1 1 11 ASN H H 18.271 10.265 -11.078 . . . 1.0 . . . . . . . . . . . . A . 11 ASN H . . . . . . . . . c15272_2jqb 1 . 20 . 5022 . 1 1 11 ASN HA H 19.124 12.437 -9.371 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HA . . . . . . . . . c15272_2jqb 1 . 20 . 5023 . 1 1 11 ASN HB2 H 21.107 12.430 -10.624 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 5024 . 1 1 11 ASN HB3 H 20.659 10.751 -10.387 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 5025 . 1 1 11 ASN HD21 H 22.203 12.487 -12.570 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD21 . . . . . . . . . c15272_2jqb 1 . 20 . 5026 . 1 1 11 ASN HD22 H 21.592 11.806 -14.075 . . . 1.0 . . . . . . . . . . . . A . 11 ASN HD22 . . . . . . . . . c15272_2jqb 1 . 20 . 5027 . 1 1 11 ASN N N 18.057 11.019 -10.441 . . . 1.0 . . . . . . . . . . . . A . 11 ASN N . . . . . . . . . c15272_2jqb 1 . 20 . 5028 . 1 1 11 ASN ND2 N 21.510 11.944 -13.074 . . . 1.0 . . . . . . . . . . . . A . 11 ASN ND2 . . . . . . . . . c15272_2jqb 1 . 20 . 5029 . 1 1 11 ASN O O 19.228 14.039 -11.903 . . . 1.0 . . . . . . . . . . . . A . 11 ASN O . . . . . . . . . c15272_2jqb 1 . 20 . 5030 . 1 1 11 ASN OD1 O 19.608 10.787 -13.014 . . . 1.0 . . . . . . . . . . . . A . 11 ASN OD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5031 . 1 1 12 SER C C 17.202 16.114 -11.468 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c15272_2jqb 1 . 20 . 5032 . 1 1 12 SER CA C 16.518 14.756 -11.701 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c15272_2jqb 1 . 20 . 5033 . 1 1 12 SER CB C 15.046 14.746 -11.246 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c15272_2jqb 1 . 20 . 5034 . 1 1 12 SER H H 16.699 13.132 -10.324 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c15272_2jqb 1 . 20 . 5035 . 1 1 12 SER HA H 16.578 14.537 -12.758 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c15272_2jqb 1 . 20 . 5036 . 1 1 12 SER HB2 H 14.675 13.721 -11.266 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 5037 . 1 1 12 SER HB3 H 14.990 15.106 -10.217 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 5038 . 1 1 12 SER HG H 14.132 15.132 -12.949 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c15272_2jqb 1 . 20 . 5039 . 1 1 12 SER N N 17.213 13.683 -11.000 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c15272_2jqb 1 . 20 . 5040 . 1 1 12 SER O O 17.270 16.949 -12.372 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c15272_2jqb 1 . 20 . 5041 . 1 1 12 SER OG O 14.198 15.540 -12.062 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c15272_2jqb 1 . 20 . 5042 . 1 1 13 . C C 19.684 17.925 -10.525 . . . 1.0 . . . . . . . . . . . . A . 13 DPN C . . . . . . . . . c15272_2jqb 1 . 20 . 5043 . 1 1 13 . CA C 18.426 17.489 -9.751 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CA . . . . . . . . . c15272_2jqb 1 . 20 . 5044 . 1 1 13 . CB C 17.403 18.617 -9.674 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CB . . . . . . . . . c15272_2jqb 1 . 20 . 5045 . 1 1 13 . CD1 C 15.060 17.885 -9.035 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5046 . 1 1 13 . CD2 C 16.572 18.639 -7.279 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 5047 . 1 1 13 . CE1 C 14.071 17.626 -8.070 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE1 . . . . . . . . . c15272_2jqb 1 . 20 . 5048 . 1 1 13 . CE2 C 15.580 18.383 -6.316 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CE2 . . . . . . . . . c15272_2jqb 1 . 20 . 5049 . 1 1 13 . CG C 16.315 18.389 -8.641 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CG . . . . . . . . . c15272_2jqb 1 . 20 . 5050 . 1 1 13 . CZ C 14.329 17.875 -6.711 . . . 1.0 . . . . . . . . . . . . A . 13 DPN CZ . . . . . . . . . c15272_2jqb 1 . 20 . 5051 . 1 1 13 . H H 17.668 15.513 -9.636 . . . 1.0 . . . . . . . . . . . . A . 13 DPN H . . . . . . . . . c15272_2jqb 1 . 20 . 5052 . 1 1 13 . HA H 18.753 17.266 -8.734 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HA . . . . . . . . . c15272_2jqb 1 . 20 . 5053 . 1 1 13 . HB2 H 16.954 18.771 -10.651 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 5054 . 1 1 13 . HB3 H 17.961 19.509 -9.435 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 5055 . 1 1 13 . HD1 H 14.856 17.685 -10.078 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5056 . 1 1 13 . HD2 H 17.536 19.020 -6.968 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HD2 . . . . . . . . . c15272_2jqb 1 . 20 . 5057 . 1 1 13 . HE1 H 13.113 17.228 -8.376 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 5058 . 1 1 13 . HE2 H 15.783 18.571 -5.270 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HE2 . . . . . . . . . c15272_2jqb 1 . 20 . 5059 . 1 1 13 . HZ H 13.568 17.674 -5.968 . . . 1.0 . . . . . . . . . . . . A . 13 DPN HZ . . . . . . . . . c15272_2jqb 1 . 20 . 5060 . 1 1 13 . N N 17.777 16.282 -10.272 . . . 1.0 . . . . . . . . . . . . A . 13 DPN N . . . . . . . . . c15272_2jqb 1 . 20 . 5061 . 1 1 13 . O O 20.245 18.996 -10.277 . . . 1.0 . . . . . . . . . . . . A . 13 DPN O . . . . . . . . . c15272_2jqb 1 . 20 . 5062 . 1 1 14 TRP C C 20.955 17.821 -13.675 . . . 1.0 . . . . . . . . . . . . A . 14 TRP C . . . . . . . . . c15272_2jqb 1 . 20 . 5063 . 1 1 14 TRP CA C 21.312 17.276 -12.282 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CA . . . . . . . . . c15272_2jqb 1 . 20 . 5064 . 1 1 14 TRP CB C 22.024 15.921 -12.371 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CB . . . . . . . . . c15272_2jqb 1 . 20 . 5065 . 1 1 14 TRP CD1 C 21.910 14.965 -10.004 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5066 . 1 1 14 TRP CD2 C 24.005 15.300 -10.706 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CD2 . . . . . . . . . c15272_2jqb 1 . 20 . 5067 . 1 1 14 TRP CE2 C 24.096 14.762 -9.388 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE2 . . . . . . . . . c15272_2jqb 1 . 20 . 5068 . 1 1 14 TRP CE3 C 25.212 15.618 -11.358 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CE3 . . . . . . . . . c15272_2jqb 1 . 20 . 5069 . 1 1 14 TRP CG C 22.600 15.407 -11.080 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CG . . . . . . . . . c15272_2jqb 1 . 20 . 5070 . 1 1 14 TRP CH2 C 26.517 14.859 -9.438 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CH2 . . . . . . . . . c15272_2jqb 1 . 20 . 5071 . 1 1 14 TRP CZ2 C 25.330 14.539 -8.755 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ2 . . . . . . . . . c15272_2jqb 1 . 20 . 5072 . 1 1 14 TRP CZ3 C 26.456 15.399 -10.736 . . . 1.0 . . . . . . . . . . . . A . 14 TRP CZ3 . . . . . . . . . c15272_2jqb 1 . 20 . 5073 . 1 1 14 TRP H H 19.622 16.240 -11.585 . . . 1.0 . . . . . . . . . . . . A . 14 TRP H . . . . . . . . . c15272_2jqb 1 . 20 . 5074 . 1 1 14 TRP HA H 21.979 17.995 -11.808 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HA . . . . . . . . . c15272_2jqb 1 . 20 . 5075 . 1 1 14 TRP HB2 H 21.335 15.176 -12.777 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB2 . . . . . . . . . c15272_2jqb 1 . 20 . 5076 . 1 1 14 TRP HB3 H 22.843 16.030 -13.078 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HB3 . . . . . . . . . c15272_2jqb 1 . 20 . 5077 . 1 1 14 TRP HD1 H 20.831 14.924 -9.931 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HD1 . . . . . . . . . c15272_2jqb 1 . 20 . 5078 . 1 1 14 TRP HE1 H 22.473 14.215 -8.113 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE1 . . . . . . . . . c15272_2jqb 1 . 20 . 5079 . 1 1 14 TRP HE3 H 25.163 16.039 -12.352 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HE3 . . . . . . . . . c15272_2jqb 1 . 20 . 5080 . 1 1 14 TRP HH2 H 27.476 14.694 -8.964 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HH2 . . . . . . . . . c15272_2jqb 1 . 20 . 5081 . 1 1 14 TRP HZ2 H 25.369 14.129 -7.755 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ2 . . . . . . . . . c15272_2jqb 1 . 20 . 5082 . 1 1 14 TRP HZ3 H 27.370 15.650 -11.259 . . . 1.0 . . . . . . . . . . . . A . 14 TRP HZ3 . . . . . . . . . c15272_2jqb 1 . 20 . 5083 . 1 1 14 TRP N N 20.137 17.090 -11.451 . . . 1.0 . . . . . . . . . . . . A . 14 TRP N . . . . . . . . . c15272_2jqb 1 . 20 . 5084 . 1 1 14 TRP NE1 N 22.783 14.576 -9.009 . . . 1.0 . . . . . . . . . . . . A . 14 TRP NE1 . . . . . . . . . c15272_2jqb 1 . 20 . 5085 . 1 1 14 TRP O O 21.850 18.020 -14.501 . . . 1.0 . . . . . . . . . . . . A . 14 TRP O . . . . . . . . . c15272_2jqb 1 . 20 . 5086 . 1 1 15 THR C C 17.853 19.278 -14.974 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c15272_2jqb 1 . 20 . 5087 . 1 1 15 THR CA C 19.156 18.496 -15.245 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c15272_2jqb 1 . 20 . 5088 . 1 1 15 THR CB C 19.121 17.272 -16.201 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c15272_2jqb 1 . 20 . 5089 . 1 1 15 THR CG2 C 18.161 16.145 -15.783 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c15272_2jqb 1 . 20 . 5090 . 1 1 15 THR H H 18.981 17.900 -13.226 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c15272_2jqb 1 . 20 . 5091 . 1 1 15 THR HA H 19.870 19.207 -15.661 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c15272_2jqb 1 . 20 . 5092 . 1 1 15 THR HB H 20.121 16.836 -16.183 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c15272_2jqb 1 . 20 . 5093 . 1 1 15 THR HG1 H 19.131 16.906 -18.129 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c15272_2jqb 1 . 20 . 5094 . 1 1 15 THR HG21 H 18.426 15.780 -14.791 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c15272_2jqb 1 . 20 . 5095 . 1 1 15 THR HG22 H 18.242 15.312 -16.482 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c15272_2jqb 1 . 20 . 5096 . 1 1 15 THR HG23 H 17.130 16.497 -15.768 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c15272_2jqb 1 . 20 . 5097 . 1 1 15 THR N N 19.670 18.055 -13.953 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c15272_2jqb 1 . 20 . 5098 . 1 1 15 THR O O 17.881 20.143 -14.065 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c15272_2jqb 1 . 20 . 5099 . 1 1 15 THR OXT O 16.820 19.097 -15.660 . . . 1.0 . . . . . . . . . . . . A . 15 THR OXT . . . . . . . . . c15272_2jqb 1 . 20 . 5100 . 1 1 15 THR OG1 O 18.899 17.656 -17.550 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c15272_2jqb 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 c15272_2jqb _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 2jqb.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c15272_2jqb 1 1 2jqb.mr . . DYANA/DIANA 2 distance NOE simple 205 c15272_2jqb 1 1 2jqb.mr . . DYANA/DIANA 3 distance 'hydrogen bond' simple 4 c15272_2jqb 1 1 2jqb.mr . . DYANA/DIANA 4 'dihedral angle' 'Not applicable' 'Not applicable' 8 c15272_2jqb 1 1 2jqb.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c15272_2jqb 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 c15272_2jqb _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 . . . . c15272_2jqb 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 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . . . 3.21 . . . . . A . 6 ALA H . . A . 6 ALA HA . . . 6 ALA HN . . . . . 6 ALA HA . . c15272_2jqb 1 2 1 . . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HA H . . . . . . . 3.05 . . . . . A . 5 HIS H . . A . 5 HIS HA . . . 5 HIP HN . . . . . 5 HIP HA . . c15272_2jqb 1 3 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 TYR HA H . . . . . . . 2.52 . . . . . A . 5 HIS H . . A . 4 TYR HA . . . 5 HIP HN . . . . . 4 TYR HA . . c15272_2jqb 1 4 1 . . 1 1 3 3 GLU HA H . . . 1 1 4 4 TYR H H . . . . . . . 2.46 . . . . . A . 3 GLU HA . . A . 4 TYR H . . . 3 GLU HA . . . . . 4 TYR HN . . c15272_2jqb 1 5 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 HIS H H . . . . . . . 2.52 . . . . . A . 6 ALA HA . . A . 7 HIS H . . . 6 ALA HA . . . . . 7 HIP HN . . c15272_2jqb 1 6 1 . . 1 1 11 11 ASN HA H . . . 1 1 12 12 SER H H . . . . . . . 2.77 . . . . . A . 11 ASN HA . . A . 12 SER H . . . 11 ASN HA . . . . . 12 SER HN . . c15272_2jqb 1 7 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HA H . . . . . . . 2.68 . . . . . A . 7 HIS H . . A . 7 HIS HA . . . 7 HIP HN . . . . . 7 HIP HA . . c15272_2jqb 1 8 1 . . 1 1 8 8 PRO HA H . . . 1 1 9 9 LYS H H . . . . . . . 2.40 . . . . . A . 8 PRO HA . . A . 9 LYS H . . . 8 PRO HA . . . . . 9 LYS HN . . c15272_2jqb 1 9 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HA H . . . . . . . 3.24 . . . . . A . 9 LYS H . . A . 9 LYS HA . . . 9 LYS HN . . . . . 9 LYS HA . . c15272_2jqb 1 10 1 . . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN H H . . . . . . . 2.92 . . . . . A . 11 ASN HA . . A . 11 ASN H . . . 11 ASN HA . . . . . 11 ASN HN . . c15272_2jqb 1 11 1 . . 1 1 2 2 TRP HA H . . . 1 1 3 3 GLU H H . . . . . . . 2.71 . . . . . A . 2 TRP HA . . A . 3 GLU H . . . 2 TRP HA . . . . . 3 GLU HN . . c15272_2jqb 1 12 1 . . 1 1 14 14 TRP H H . . . 1 1 14 14 TRP HA H . . . . . . . 3.48 . . . . . A . 14 TRP H . . A . 14 TRP HA . . . 14 TRP HN . . . . . 14 TRP HA . . c15272_2jqb 1 13 1 OR . 1 1 11 11 ASN H H . . . 1 1 11 11 ASN HB2 H . . . . . . . 4.24 . . . . . A . 11 ASN H . . A . 11 ASN HB2 . . . 11 ASN HN . . . . . 11 ASN QB . . c15272_2jqb 1 13 2 OR . 1 1 11 11 ASN H H . . . 1 1 11 11 ASN HB3 H . . . . . . . 4.24 . . . . . A . 11 ASN H . . A . 11 ASN HB3 . . . 11 ASN HN . . . . . 11 ASN QB . . c15272_2jqb 1 14 1 . . 1 1 11 11 ASN H H . . . 1 1 10 10 HYP HB3 H . . . . . . . 3.48 . . . . . A . 11 ASN H . . A . 10 HYP HB3 . . . 11 ASN HN . . . . . 10 PR4 HB3 . . c15272_2jqb 1 15 1 OR . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HB2 H . . . . . . . 4.68 . . . . . A . 2 TRP H . . A . 2 TRP HB2 . . . 2 TRP HN . . . . . 2 TRP QB . . c15272_2jqb 1 15 2 OR . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.68 . . . . . A . 2 TRP H . . A . 2 TRP HB3 . . . 2 TRP HN . . . . . 2 TRP QB . . c15272_2jqb 1 16 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP H H . . . . . . . 3.67 . . . . . A . 2 TRP HA . . A . 2 TRP H . . . 2 TRP HA . . . . . 2 TRP HN . . c15272_2jqb 1 17 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB3 H . . . . . . . 2.62 . . . . . A . 12 SER H . . A . 12 SER HB3 . . . 12 SER HN . . . . . 12 SER HB3 . . c15272_2jqb 1 18 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB2 H . . . . . . . 2.74 . . . . . A . 12 SER H . . A . 12 SER HB2 . . . 12 SER HN . . . . . 12 SER HB2 . . c15272_2jqb 1 19 1 OR . 1 1 3 3 GLU H H . . . 1 1 2 2 TRP HB2 H . . . . . . . 4.80 . . . . . A . 3 GLU H . . A . 2 TRP HB2 . . . 3 GLU HN . . . . . 2 TRP QB . . c15272_2jqb 1 19 2 OR . 1 1 3 3 GLU H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.80 . . . . . A . 3 GLU H . . A . 2 TRP HB3 . . . 3 GLU HN . . . . . 2 TRP QB . . c15272_2jqb 1 20 1 . . 1 1 14 14 TRP H H . . . 1 1 14 14 TRP HB2 H . . . . . . . 3.17 . . . . . A . 14 TRP H . . A . 14 TRP HB2 . . . 14 TRP HN . . . . . 14 TRP HB2 . . c15272_2jqb 1 21 1 . . 1 1 14 14 TRP H H . . . 1 1 12 12 SER HA H . . . . . . . 3.83 . . . . . A . 14 TRP H . . A . 12 SER HA . . . 14 TRP HN . . . . . 12 SER HA . . c15272_2jqb 1 22 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 TYR HB2 H . . . . . . . 3.76 . . . . . A . 5 HIS H . . A . 4 TYR HB2 . . . 5 HIP HN . . . . . 4 TYR HB2 . . c15272_2jqb 1 23 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 TYR HB3 H . . . . . . . 2.55 . . . . . A . 5 HIS H . . A . 4 TYR HB3 . . . 5 HIP HN . . . . . 4 TYR HB3 . . c15272_2jqb 1 24 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HB2 H . . . . . . . 2.49 . . . . . A . 4 TYR H . . A . 4 TYR HB2 . . . 4 TYR HN . . . . . 4 TYR HB2 . . c15272_2jqb 1 25 1 . . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB2 H . . . . . . . 2.55 . . . . . A . 3 GLU H . . A . 3 GLU HB2 . . . 3 GLU HN . . . . . 3 GLU HB2 . . c15272_2jqb 1 26 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB3 H . . . . . . . 2.95 . . . . . A . 3 GLU HA . . A . 3 GLU HB3 . . . 3 GLU HA . . . . . 3 GLU HB3 . . c15272_2jqb 1 27 1 . . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HB2 H . . . . . . . 2.74 . . . . . A . 3 GLU HA . . A . 3 GLU HB2 . . . 3 GLU HA . . . . . 3 GLU HB2 . . c15272_2jqb 1 28 1 . . 1 1 2 2 TRP H H . . . 1 1 1 1 ASP HA H . . . . . . . 3.36 . . . . . A . 2 TRP H . . A . 1 ASP HA . . . 2 TRP HN . . . . . 1 ASP HA . . c15272_2jqb 1 29 1 . . 1 1 14 14 TRP HA H . . . 1 1 15 15 THR H H . . . . . . . 3.30 . . . . . A . 14 TRP HA . . A . 15 THR H . . . 14 TRP HA . . . . . 15 THR HN . . c15272_2jqb 1 30 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 TRP HB3 H . . . . . . . 4.54 . . . . . A . 15 THR H . . A . 14 TRP HB3 . . . 15 THR HN . . . . . 14 TRP HB3 . . c15272_2jqb 1 31 1 . . 1 1 14 14 TRP HB2 H . . . 1 1 15 15 THR H H . . . . . . . 4.14 . . . . . A . 14 TRP HB2 . . A . 15 THR H . . . 14 TRP HB2 . . . . . 15 THR HN . . c15272_2jqb 1 32 1 OR . 1 1 12 12 SER H H . . . 1 1 11 11 ASN HB2 H . . . . . . . 4.00 . . . . . A . 12 SER H . . A . 11 ASN HB2 . . . 12 SER HN . . . . . 11 ASN QB . . c15272_2jqb 1 32 2 OR . 1 1 12 12 SER H H . . . 1 1 11 11 ASN HB3 H . . . . . . . 4.00 . . . . . A . 12 SER H . . A . 11 ASN HB3 . . . 12 SER HN . . . . . 11 ASN QB . . c15272_2jqb 1 33 1 . . 1 1 6 6 ALA H H . . . 1 1 7 7 HIS H H . . . . . . . 3.42 . . . . . A . 6 ALA H . . A . 7 HIS H . . . 6 ALA HN . . . . . 7 HIP HN . . c15272_2jqb 1 34 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 HIS H H . . . . . . . 4.57 . . . . . A . 6 ALA H . . A . 5 HIS H . . . 6 ALA HN . . . . . 5 HIP HN . . c15272_2jqb 1 35 1 . . 1 1 14 14 TRP H H . . . 1 1 15 15 THR H H . . . . . . . 3.64 . . . . . A . 14 TRP H . . A . 15 THR H . . . 14 TRP HN . . . . . 15 THR HN . . c15272_2jqb 1 36 1 . . 1 1 10 10 HYP HB3 H . . . 1 1 10 10 HYP HA H . . . . . . . 3.61 . . . . . A . 10 HYP HB3 . . A . 10 HYP HA . . . 10 PR4 HB3 . . . . . 10 PR4 HA . . c15272_2jqb 1 37 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB2 H . . . . . . . 3.14 . . . . . A . 12 SER HA . . A . 12 SER HB2 . . . 12 SER HA . . . . . 12 SER HB2 . . c15272_2jqb 1 38 1 . . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . . . 3.33 . . . . . A . 12 SER HA . . A . 12 SER HB3 . . . 12 SER HA . . . . . 12 SER HB3 . . c15272_2jqb 1 39 1 OR . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HB2 H . . . . . . . 4.09 . . . . . A . 2 TRP HA . . A . 2 TRP HB2 . . . 2 TRP HA . . . . . 2 TRP QB . . c15272_2jqb 1 39 2 OR . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.09 . . . . . A . 2 TRP HA . . A . 2 TRP HB3 . . . 2 TRP HA . . . . . 2 TRP QB . . c15272_2jqb 1 40 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HB2 H . . . . . . . 2.80 . . . . . A . 5 HIS HA . . A . 5 HIS HB2 . . . 5 HIP HA . . . . . 5 HIP HB2 . . c15272_2jqb 1 41 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HB3 H . . . . . . . 3.02 . . . . . A . 5 HIS HA . . A . 5 HIS HB3 . . . 5 HIP HA . . . . . 5 HIP HB3 . . c15272_2jqb 1 42 1 . . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HB3 H . . . . . . . 2.86 . . . . . A . 4 TYR HA . . A . 4 TYR HB3 . . . 4 TYR HA . . . . . 4 TYR HB3 . . c15272_2jqb 1 43 1 . . 1 1 4 4 TYR HA H . . . 1 1 4 4 TYR HB2 H . . . . . . . 2.74 . . . . . A . 4 TYR HA . . A . 4 TYR HB2 . . . 4 TYR HA . . . . . 4 TYR HB2 . . c15272_2jqb 1 44 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HB2 H . . . . . . . 3.45 . . . . . A . 7 HIS H . . A . 7 HIS HB2 . . . 7 HIP HN . . . . . 7 HIP HB2 . . c15272_2jqb 1 45 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 HIS HA H . . . . . . . 3.61 . . . . . A . 6 ALA H . . A . 5 HIS HA . . . 6 ALA HN . . . . . 5 HIP HA . . c15272_2jqb 1 46 1 . . 1 1 1 1 ASP HA H . . . 1 1 1 1 ASP HB2 H . . . . . . . 3.76 . . . . . A . 1 ASP HA . . A . 1 ASP HB2 . . . 1 ASP HA . . . . . 1 ASP HB2 . . c15272_2jqb 1 47 1 . . 1 1 1 1 ASP HA H . . . 1 1 1 1 ASP HB3 H . . . . . . . 3.61 . . . . . A . 1 ASP HA . . A . 1 ASP HB3 . . . 1 ASP HA . . . . . 1 ASP HB3 . . c15272_2jqb 1 48 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HA H . . . . . . . 2.80 . . . . . A . 12 SER H . . A . 12 SER HA . . . 12 SER HN . . . . . 12 SER HA . . c15272_2jqb 1 49 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HB H . . . . . . . 4.20 . . . . . A . 15 THR H . . A . 15 THR HB . . . 15 THR HN . . . . . 15 THR HB . . c15272_2jqb 1 50 1 . . 1 1 14 14 TRP HA H . . . 1 1 14 14 TRP HB3 H . . . . . . . 3.05 . . . . . A . 14 TRP HA . . A . 14 TRP HB3 . . . 14 TRP HA . . . . . 14 TRP HB3 . . c15272_2jqb 1 51 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HB3 H . . . . . . . 3.08 . . . . . A . 7 HIS H . . A . 7 HIS HB3 . . . 7 HIP HN . . . . . 7 HIP HB3 . . c15272_2jqb 1 52 1 . . 1 1 4 4 TYR H H . . . 1 1 4 4 TYR HB3 H . . . . . . . 2.99 . . . . . A . 4 TYR H . . A . 4 TYR HB3 . . . 4 TYR HN . . . . . 4 TYR HB3 . . c15272_2jqb 1 53 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 HIS HB3 H . . . . . . . 3.67 . . . . . A . 6 ALA H . . A . 5 HIS HB3 . . . 6 ALA HN . . . . . 5 HIP HB3 . . c15272_2jqb 1 54 1 . . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . . . 3.14 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 HIP HN . . . . . 5 HIP HB3 . . c15272_2jqb 1 55 1 . . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . . . 3.33 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 HIP HN . . . . . 5 HIP HB2 . . c15272_2jqb 1 56 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 HIS HB2 H . . . . . . . 3.00 . . . . . A . 6 ALA H . . A . 5 HIS HB2 . . . 6 ALA HN . . . . . 5 HIP HB2 . . c15272_2jqb 1 57 1 . . 1 1 14 14 TRP H H . . . 1 1 14 14 TRP HB3 H . . . . . . . 3.50 . . . . . A . 14 TRP H . . A . 14 TRP HB3 . . . 14 TRP HN . . . . . 14 TRP HB3 . . c15272_2jqb 1 58 1 OR . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN HB2 H . . . . . . . 3.93 . . . . . A . 11 ASN HA . . A . 11 ASN HB2 . . . 11 ASN HA . . . . . 11 ASN QB . . c15272_2jqb 1 58 2 OR . 1 1 11 11 ASN HA H . . . 1 1 11 11 ASN HB3 H . . . . . . . 3.93 . . . . . A . 11 ASN HA . . A . 11 ASN HB3 . . . 11 ASN HA . . . . . 11 ASN QB . . c15272_2jqb 1 59 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB2 H . . . . . . . 3.08 . . . . . A . 8 PRO HA . . A . 8 PRO HB2 . . . 8 PRO HA . . . . . 8 PRO HB2 . . c15272_2jqb 1 60 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB3 H . . . . . . . 2.80 . . . . . A . 8 PRO HA . . A . 8 PRO HB3 . . . 8 PRO HA . . . . . 8 PRO HB3 . . c15272_2jqb 1 61 1 . . 1 1 8 8 PRO HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 4.17 . . . . . A . 8 PRO HA . . A . 9 LYS HB2 . . . 8 PRO HA . . . . . 9 LYS HB2 . . c15272_2jqb 1 62 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.11 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . . . 9 LYS HA . . . . . 9 LYS HB3 . . c15272_2jqb 1 63 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.14 . . . . . A . 9 LYS HA . . A . 9 LYS HB2 . . . 9 LYS HA . . . . . 9 LYS HB2 . . c15272_2jqb 1 64 1 . . 1 1 11 11 ASN H H . . . 1 1 10 10 HYP HB2 H . . . . . . . 3.48 . . . . . A . 11 ASN H . . A . 10 HYP HB2 . . . 11 ASN HN . . . . . 10 PR4 HB2 . . c15272_2jqb 1 65 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HB3 H . . . . . . . 3.55 . . . . . A . 9 LYS H . . A . 8 PRO HB3 . . . 9 LYS HN . . . . . 8 PRO HB3 . . c15272_2jqb 1 66 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HB2 H . . . . . . . 3.42 . . . . . A . 9 LYS H . . A . 8 PRO HB2 . . . 9 LYS HN . . . . . 8 PRO HB2 . . c15272_2jqb 1 67 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.36 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 LYS HN . . . . . 9 LYS HB3 . . c15272_2jqb 1 68 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.08 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 LYS HN . . . . . 9 LYS HB2 . . c15272_2jqb 1 69 1 . . 1 1 11 11 ASN H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 5.13 . . . . . A . 11 ASN H . . A . 9 LYS HB3 . . . 11 ASN HN . . . . . 9 LYS HB3 . . c15272_2jqb 1 70 1 . . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB3 H . . . . . . . 3.33 . . . . . A . 3 GLU H . . A . 3 GLU HB3 . . . 3 GLU HN . . . . . 3 GLU HB3 . . c15272_2jqb 1 71 1 . . 1 1 3 3 GLU H H . . . 1 1 2 2 TRP H H . . . . . . . 4.35 . . . . . A . 3 GLU H . . A . 2 TRP H . . . 3 GLU HN . . . . . 2 TRP HN . . c15272_2jqb 1 72 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 ASN H H . . . . . . . 3.39 . . . . . A . 12 SER H . . A . 11 ASN H . . . 12 SER HN . . . . . 11 ASN HN . . c15272_2jqb 1 73 1 . . 1 1 2 2 TRP H H . . . 1 1 1 1 ASP HB3 H . . . . . . . 4.48 . . . . . A . 2 TRP H . . A . 1 ASP HB3 . . . 2 TRP HN . . . . . 1 ASP HB3 . . c15272_2jqb 1 74 1 . . 1 1 2 2 TRP H H . . . 1 1 1 1 ASP HB2 H . . . . . . . 4.66 . . . . . A . 2 TRP H . . A . 1 ASP HB2 . . . 2 TRP HN . . . . . 1 ASP HB2 . . c15272_2jqb 1 75 1 . . 1 1 6 6 ALA H H . . . 1 1 4 4 TYR HA H . . . . . . . 4.79 . . . . . A . 6 ALA H . . A . 4 TYR HA . . . 6 ALA HN . . . . . 4 TYR HA . . c15272_2jqb 1 76 1 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG2 H . . . . . . . 5.79 . . . . . A . 3 GLU H . . A . 3 GLU HG2 . . . 3 GLU HN . . . . . 3 GLU QG . . c15272_2jqb 1 76 2 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG3 H . . . . . . . 5.79 . . . . . A . 3 GLU H . . A . 3 GLU HG3 . . . 3 GLU HN . . . . . 3 GLU QG . . c15272_2jqb 1 77 1 . . 1 1 8 8 PRO HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . . . 4.10 . . . . . A . 8 PRO HB3 . . A . 8 PRO HD2 . . . 8 PRO HB3 . . . . . 8 PRO HD2 . . c15272_2jqb 1 78 1 . . 1 1 7 7 HIS H H . . . 1 1 8 8 PRO HD2 H . . . . . . . 5.07 . . . . . A . 7 HIS H . . A . 8 PRO HD2 . . . 7 HIP HN . . . . . 8 PRO HD2 . . c15272_2jqb 1 79 1 . . 1 1 14 14 TRP HA H . . . 1 1 14 14 TRP HE3 H . . . . . . . 3.89 . . . . . A . 14 TRP HA . . A . 14 TRP HE3 . . . 14 TRP HA . . . . . 14 TRP HE3 . . c15272_2jqb 1 80 1 . . 1 1 14 14 TRP HB3 H . . . 1 1 14 14 TRP HE3 H . . . . . . . 4.45 . . . . . A . 14 TRP HB3 . . A . 14 TRP HE3 . . . 14 TRP HB3 . . . . . 14 TRP HE3 . . c15272_2jqb 1 81 1 . . 1 1 14 14 TRP HB2 H . . . 1 1 14 14 TRP HE3 H . . . . . . . 4.57 . . . . . A . 14 TRP HB2 . . A . 14 TRP HE3 . . . 14 TRP HB2 . . . . . 14 TRP HE3 . . c15272_2jqb 1 82 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 2 2 TRP HB2 H . . . . . . . 5.27 . . . . . A . 2 TRP HE3 . . A . 2 TRP HB2 . . . 2 TRP HE3 . . . . . 2 TRP QB . . c15272_2jqb 1 82 2 OR . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 5.27 . . . . . A . 2 TRP HB3 . . A . 2 TRP HE3 . . . 2 TRP QB . . . . . 2 TRP HE3 . . c15272_2jqb 1 83 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.35 . . . . . A . 2 TRP HA . . A . 2 TRP HE3 . . . 2 TRP HA . . . . . 2 TRP HE3 . . c15272_2jqb 1 84 1 . . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HD2 H . . . . . . . 4.91 . . . . . A . 5 HIS H . . A . 5 HIS HD2 . . . 5 HIP HN . . . . . 5 HIP HD2 . . c15272_2jqb 1 85 1 . . 1 1 11 11 ASN HD21 H . . . 1 1 11 11 ASN HD22 H . . . . . . . 2.40 . . . . . A . 11 ASN HD21 . . A . 11 ASN HD22 . . . 11 ASN HD21 . . . . . 11 ASN HD22 . . c15272_2jqb 1 86 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HD2 H . . . . . . . 5.00 . . . . . A . 5 HIS HA . . A . 5 HIS HD2 . . . 5 HIP HA . . . . . 5 HIP HD2 . . c15272_2jqb 1 87 1 . . 1 1 4 4 TYR HA H . . . 1 1 5 5 HIS HD2 H . . . . . . . 5.50 . . . . . A . 4 TYR HA . . A . 5 HIS HD2 . . . 4 TYR HA . . . . . 5 HIP HD2 . . c15272_2jqb 1 88 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HD1 H . . . . . . . 5.25 . . . . . A . 2 TRP HA . . A . 2 TRP HD1 . . . 2 TRP HA . . . . . 2 TRP HD1 . . c15272_2jqb 1 89 1 . . 1 1 14 14 TRP HA H . . . 1 1 14 14 TRP HD1 H . . . . . . . 5.50 . . . . . A . 14 TRP HA . . A . 14 TRP HD1 . . . 14 TRP HA . . . . . 14 TRP HD1 . . c15272_2jqb 1 90 1 . . 1 1 3 3 GLU HA H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.76 . . . . . A . 3 GLU HA . . A . 2 TRP HE3 . . . 3 GLU HA . . . . . 2 TRP HE3 . . c15272_2jqb 1 91 1 . . 1 1 7 7 HIS HB3 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 4.51 . . . . . A . 7 HIS HB3 . . A . 7 HIS HD2 . . . 7 HIP HB3 . . . . . 7 HIP HD2 . . c15272_2jqb 1 92 1 . . 1 1 5 5 HIS HB2 H . . . 1 1 5 5 HIS HD2 H . . . . . . . 5.16 . . . . . A . 5 HIS HB2 . . A . 5 HIS HD2 . . . 5 HIP HB2 . . . . . 5 HIP HD2 . . c15272_2jqb 1 93 1 . . 1 1 14 14 TRP HB2 H . . . 1 1 14 14 TRP HD1 H . . . . . . . 4.26 . . . . . A . 14 TRP HB2 . . A . 14 TRP HD1 . . . 14 TRP HB2 . . . . . 14 TRP HD1 . . c15272_2jqb 1 94 1 OR . 1 1 2 2 TRP HD1 H . . . 1 1 2 2 TRP HB2 H . . . . . . . 5.27 . . . . . A . 2 TRP HD1 . . A . 2 TRP HB2 . . . 2 TRP HD1 . . . . . 2 TRP QB . . c15272_2jqb 1 94 2 OR . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HD1 H . . . . . . . 5.27 . . . . . A . 2 TRP HB3 . . A . 2 TRP HD1 . . . 2 TRP QB . . . . . 2 TRP HD1 . . c15272_2jqb 1 95 1 . . 1 1 14 14 TRP HB3 H . . . 1 1 14 14 TRP HD1 H . . . . . . . 4.91 . . . . . A . 14 TRP HB3 . . A . 14 TRP HD1 . . . 14 TRP HB3 . . . . . 14 TRP HD1 . . c15272_2jqb 1 96 1 . . 1 1 7 7 HIS HA H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 7 HIS HA . . A . 7 HIS HD2 . . . 7 HIP HA . . . . . 7 HIP HD2 . . c15272_2jqb 1 97 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HE1 H . . . . . . . 5.50 . . . . . A . 7 HIS HD2 . . A . 7 HIS HE1 . . . 7 HIP HD2 . . . . . 7 HIP HE1 . . c15272_2jqb 1 98 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 7 HIS H . . A . 7 HIS HD2 . . . 7 HIP HN . . . . . 7 HIP HD2 . . c15272_2jqb 1 99 1 . . 1 1 14 14 TRP H H . . . 1 1 14 14 TRP HD1 H . . . . . . . 4.97 . . . . . A . 14 TRP H . . A . 14 TRP HD1 . . . 14 TRP HN . . . . . 14 TRP HD1 . . c15272_2jqb 1 100 1 . . 1 1 14 14 TRP HE3 H . . . 1 1 14 14 TRP HZ3 H . . . . . . . 3.33 . . . . . A . 14 TRP HE3 . . A . 14 TRP HZ3 . . . 14 TRP HE3 . . . . . 14 TRP HZ3 . . c15272_2jqb 1 101 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 2 2 TRP HE1 H . . . . . . . 2.93 . . . . . A . 2 TRP HD1 . . A . 2 TRP HE1 . . . 2 TRP HD1 . . . . . 2 TRP HE1 . . c15272_2jqb 1 102 1 . . 1 1 2 2 TRP HZ2 H . . . 1 1 2 2 TRP HH2 H . . . . . . . 2.43 . . . . . A . 2 TRP HZ2 . . A . 2 TRP HH2 . . . 2 TRP HZ2 . . . . . 2 TRP HH2 . . c15272_2jqb 1 103 1 . . 1 1 2 2 TRP HE3 H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 3.11 . . . . . A . 2 TRP HE3 . . A . 2 TRP HZ3 . . . 2 TRP HE3 . . . . . 2 TRP HZ3 . . c15272_2jqb 1 104 1 . . 1 1 3 3 GLU H H . . . 1 1 2 2 TRP HD1 H . . . . . . . 5.50 . . . . . A . 3 GLU H . . A . 2 TRP HD1 . . . 3 GLU HN . . . . . 2 TRP HD1 . . c15272_2jqb 1 105 1 . . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HD3 H . . . . . . . 2.40 . . . . . A . 8 PRO HD2 . . A . 8 PRO HD3 . . . 8 PRO HD2 . . . . . 8 PRO HD3 . . c15272_2jqb 1 106 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HD2 H . . . . . . . 4.23 . . . . . A . 5 HIS HB3 . . A . 5 HIS HD2 . . . 5 HIP HB3 . . . . . 5 HIP HD2 . . c15272_2jqb 1 107 1 OR . 1 1 11 11 ASN HD22 H . . . 1 1 11 11 ASN HB2 H . . . . . . . 6.38 . . . . . A . 11 ASN HD22 . . A . 11 ASN HB2 . . . 11 ASN HD22 . . . . . 11 ASN QB . . c15272_2jqb 1 107 2 OR . 1 1 11 11 ASN HB3 H . . . 1 1 11 11 ASN HD22 H . . . . . . . 6.38 . . . . . A . 11 ASN HB3 . . A . 11 ASN HD22 . . . 11 ASN QB . . . . . 11 ASN HD22 . . c15272_2jqb 1 108 1 . . 1 1 7 7 HIS H H . . . 1 1 8 8 PRO HD3 H . . . . . . . 5.50 . . . . . A . 7 HIS H . . A . 8 PRO HD3 . . . 7 HIP HN . . . . . 8 PRO HD3 . . c15272_2jqb 1 109 1 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 7.26 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE2 . . . 9 LYS QD . . . . . 9 LYS QE . . c15272_2jqb 1 109 2 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 7.26 . . . . . A . 9 LYS HE3 . . A . 9 LYS HD2 . . . 9 LYS QE . . . . . 9 LYS QD . . c15272_2jqb 1 109 3 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 7.26 . . . . . A . 9 LYS HD3 . . A . 9 LYS HE3 . . . 9 LYS QD . . . . . 9 LYS QE . . c15272_2jqb 1 109 4 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 7.26 . . . . . A . 9 LYS HD2 . . A . 9 LYS HE2 . . . 9 LYS QD . . . . . 9 LYS QE . . c15272_2jqb 1 110 1 . . 1 1 7 7 HIS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . . . 4.10 . . . . . A . 7 HIS HB3 . . A . 8 PRO HD3 . . . 7 HIP HB3 . . . . . 8 PRO HD3 . . c15272_2jqb 1 111 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 8 8 PRO HD3 H . . . . . . . 3.39 . . . . . A . 7 HIS HB2 . . A . 8 PRO HD3 . . . 7 HIP HB2 . . . . . 8 PRO HD3 . . c15272_2jqb 1 112 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . . . 5.50 . . . . . A . 7 HIS HB2 . . A . 8 PRO HD2 . . . 7 HIP HB2 . . . . . 8 PRO HD2 . . c15272_2jqb 1 113 1 . . 1 1 7 7 HIS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . . . 2.85 . . . . . A . 7 HIS HB3 . . A . 8 PRO HD2 . . . 7 HIP HB3 . . . . . 8 PRO HD2 . . c15272_2jqb 1 114 1 . . 1 1 14 14 TRP HB2 H . . . 1 1 14 14 TRP HB3 H . . . . . . . 2.40 . . . . . A . 14 TRP HB2 . . A . 14 TRP HB3 . . . 14 TRP HB2 . . . . . 14 TRP HB3 . . c15272_2jqb 1 115 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 4.01 . . . . . A . 7 HIS HB2 . . A . 7 HIS HD2 . . . 7 HIP HB2 . . . . . 7 HIP HD2 . . c15272_2jqb 1 116 1 OR . 1 1 11 11 ASN HD21 H . . . 1 1 11 11 ASN HB2 H . . . . . . . 6.38 . . . . . A . 11 ASN HD21 . . A . 11 ASN HB2 . . . 11 ASN HD21 . . . . . 11 ASN QB . . c15272_2jqb 1 116 2 OR . 1 1 11 11 ASN HB3 H . . . 1 1 11 11 ASN HD21 H . . . . . . . 6.38 . . . . . A . 11 ASN HB3 . . A . 11 ASN HD21 . . . 11 ASN QB . . . . . 11 ASN HD21 . . c15272_2jqb 1 117 1 OR . 1 1 8 8 PRO HB3 H . . . 1 1 8 8 PRO HG2 H . . . . . . . 4.40 . . . . . A . 8 PRO HB3 . . A . 8 PRO HG2 . . . 8 PRO HB3 . . . . . 8 PRO QG . . c15272_2jqb 1 117 2 OR . 1 1 8 8 PRO HB3 H . . . 1 1 8 8 PRO HG3 H . . . . . . . 4.40 . . . . . A . 8 PRO HB3 . . A . 8 PRO HG3 . . . 8 PRO HB3 . . . . . 8 PRO QG . . c15272_2jqb 1 118 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HB3 H . . . . . . . 2.40 . . . . . A . 8 PRO HB2 . . A . 8 PRO HB3 . . . 8 PRO HB2 . . . . . 8 PRO HB3 . . c15272_2jqb 1 119 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.52 . . . . . A . 9 LYS HB3 . . A . 9 LYS HG2 . . . 9 LYS HB3 . . . . . 9 LYS QG . . c15272_2jqb 1 119 2 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.52 . . . . . A . 9 LYS HB3 . . A . 9 LYS HG3 . . . 9 LYS HB3 . . . . . 9 LYS QG . . c15272_2jqb 1 120 1 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.44 . . . . . A . 9 LYS HB2 . . A . 9 LYS HG2 . . . 9 LYS HB2 . . . . . 9 LYS QG . . c15272_2jqb 1 120 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 3.44 . . . . . A . 9 LYS HB2 . . A . 9 LYS HG3 . . . 9 LYS HB2 . . . . . 9 LYS QG . . c15272_2jqb 1 121 1 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.57 . . . . . A . 9 LYS HD2 . . A . 9 LYS HG2 . . . 9 LYS QD . . . . . 9 LYS QG . . c15272_2jqb 1 121 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.57 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG2 . . . 9 LYS QD . . . . . 9 LYS QG . . c15272_2jqb 1 121 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 4.57 . . . . . A . 9 LYS HG3 . . A . 9 LYS HD2 . . . 9 LYS QG . . . . . 9 LYS QD . . c15272_2jqb 1 121 4 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.57 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG3 . . . 9 LYS QD . . . . . 9 LYS QG . . c15272_2jqb 1 122 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HD3 H . . . . . . . 3.85 . . . . . A . 8 PRO HB2 . . A . 8 PRO HD3 . . . 8 PRO HB2 . . . . . 8 PRO HD3 . . c15272_2jqb 1 123 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG2 H . . . . . . . 4.31 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG2 . . . 8 PRO HD3 . . . . . 8 PRO QG . . c15272_2jqb 1 123 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG3 H . . . . . . . 4.31 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG3 . . . 8 PRO HD3 . . . . . 8 PRO QG . . c15272_2jqb 1 124 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . . . 4.00 . . . . . A . 8 PRO HB2 . . A . 8 PRO HD2 . . . 8 PRO HB2 . . . . . 8 PRO HD2 . . c15272_2jqb 1 125 1 OR . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HG2 H . . . . . . . 4.19 . . . . . A . 8 PRO HD2 . . A . 8 PRO HG2 . . . 8 PRO HD2 . . . . . 8 PRO QG . . c15272_2jqb 1 125 2 OR . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HG3 H . . . . . . . 4.19 . . . . . A . 8 PRO HD2 . . A . 8 PRO HG3 . . . 8 PRO HD2 . . . . . 8 PRO QG . . c15272_2jqb 1 126 1 . . 1 1 8 8 PRO HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . . . 3.24 . . . . . A . 8 PRO HB3 . . A . 8 PRO HD3 . . . 8 PRO HB3 . . . . . 8 PRO HD3 . . c15272_2jqb 1 127 1 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HG2 H . . . . . . . 6.10 . . . . . A . 3 GLU HA . . A . 3 GLU HG2 . . . 3 GLU HA . . . . . 3 GLU QG . . c15272_2jqb 1 127 2 OR . 1 1 3 3 GLU HA H . . . 1 1 3 3 GLU HG3 H . . . . . . . 6.10 . . . . . A . 3 GLU HA . . A . 3 GLU HG3 . . . 3 GLU HA . . . . . 3 GLU QG . . c15272_2jqb 1 128 1 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG2 H . . . . . . . 5.52 . . . . . A . 8 PRO HA . . A . 8 PRO HG2 . . . 8 PRO HA . . . . . 8 PRO QG . . c15272_2jqb 1 128 2 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG3 H . . . . . . . 5.52 . . . . . A . 8 PRO HA . . A . 8 PRO HG3 . . . 8 PRO HA . . . . . 8 PRO QG . . c15272_2jqb 1 129 1 OR . 1 1 7 7 HIS HA H . . . 1 1 8 8 PRO HG2 H . . . . . . . 6.39 . . . . . A . 7 HIS HA . . A . 8 PRO HG2 . . . 7 HIP HA . . . . . 8 PRO QG . . c15272_2jqb 1 129 2 OR . 1 1 7 7 HIS HA H . . . 1 1 8 8 PRO HG3 H . . . . . . . 6.39 . . . . . A . 7 HIS HA . . A . 8 PRO HG3 . . . 7 HIP HA . . . . . 8 PRO QG . . c15272_2jqb 1 130 1 . . 1 1 11 11 ASN H H . . . 1 1 10 10 HYP HG H . . . . . . . 4.42 . . . . . A . 11 ASN H . . A . 10 HYP HG . . . 11 ASN HN . . . . . 10 PR4 HG . . c15272_2jqb 1 131 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HG2 H . . . . . . . 5.77 . . . . . A . 9 LYS H . . A . 8 PRO HG2 . . . 9 LYS HN . . . . . 8 PRO QG . . c15272_2jqb 1 131 2 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HG3 H . . . . . . . 5.77 . . . . . A . 9 LYS H . . A . 8 PRO HG3 . . . 9 LYS HN . . . . . 8 PRO QG . . c15272_2jqb 1 132 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.45 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 LYS HA . . . . . 9 LYS QG . . c15272_2jqb 1 132 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . . . 5.45 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 LYS HA . . . . . 9 LYS QG . . c15272_2jqb 1 133 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.89 . . . . . A . 9 LYS H . . A . 9 LYS HG2 . . . 9 LYS HN . . . . . 9 LYS QG . . c15272_2jqb 1 133 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 5.89 . . . . . A . 9 LYS H . . A . 9 LYS HG3 . . . 9 LYS HN . . . . . 9 LYS QG . . c15272_2jqb 1 134 1 . . 1 1 14 14 TRP H H . . . 1 1 14 14 TRP HE3 H . . . . . . . 5.55 . . . . . A . 14 TRP H . . A . 14 TRP HE3 . . . 14 TRP HN . . . . . 14 TRP HE3 . . c15272_2jqb 1 135 1 . . 1 1 7 7 HIS HA H . . . 1 1 8 8 PRO HD3 H . . . . . . . 3.11 . . . . . A . 7 HIS HA . . A . 8 PRO HD3 . . . 7 HIP HA . . . . . 8 PRO HD3 . . c15272_2jqb 1 136 1 . . 1 1 7 7 HIS HA H . . . 1 1 8 8 PRO HD2 H . . . . . . . 3.17 . . . . . A . 7 HIS HA . . A . 8 PRO HD2 . . . 7 HIP HA . . . . . 8 PRO HD2 . . c15272_2jqb 1 137 1 . . 1 1 2 2 TRP HE1 H . . . 1 1 2 2 TRP HZ2 H . . . . . . . 3.73 . . . . . A . 2 TRP HE1 . . A . 2 TRP HZ2 . . . 2 TRP HE1 . . . . . 2 TRP HZ2 . . c15272_2jqb 1 138 1 . . 1 1 14 14 TRP HD1 H . . . 1 1 14 14 TRP HE1 H . . . . . . . 2.59 . . . . . A . 14 TRP HD1 . . A . 14 TRP HE1 . . . 14 TRP HD1 . . . . . 14 TRP HE1 . . c15272_2jqb 1 139 1 . . 1 1 4 4 TYR H H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 5.50 . . . . . A . 4 TYR H . . A . 2 TRP HZ3 . . . 4 TYR HN . . . . . 2 TRP HZ3 . . c15272_2jqb 1 140 1 . . 1 1 10 10 HYP HB2 H . . . 1 1 10 10 HYP HG H . . . . . . . 2.40 . . . . . A . 10 HYP HB2 . . A . 10 HYP HG . . . 10 PR4 HB2 . . . . . 10 PR4 HG . . c15272_2jqb 1 141 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 6 ALA HA . . A . 7 HIS HD2 . . . 6 ALA HA . . . . . 7 HIP HD2 . . c15272_2jqb 1 142 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HE1 H . . . . . . . 5.50 . . . . . A . 5 HIS HD2 . . A . 5 HIS HE1 . . . 5 HIP HD2 . . . . . 5 HIP HE1 . . c15272_2jqb 1 143 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HE1 H . . . . . . . 5.50 . . . . . A . 5 HIS HA . . A . 5 HIS HE1 . . . 5 HIP HA . . . . . 5 HIP HE1 . . c15272_2jqb 1 144 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 HIS HE1 H . . . . . . . 4.79 . . . . . A . 6 ALA HA . . A . 7 HIS HE1 . . . 6 ALA HA . . . . . 7 HIP HE1 . . c15272_2jqb 1 145 1 . . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HE1 H . . . . . . . 5.50 . . . . . A . 5 HIS HB3 . . A . 5 HIS HE1 . . . 5 HIP HB3 . . . . . 5 HIP HE1 . . c15272_2jqb 1 146 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA MB H . . . . . . . 4.10 . . . . . A . 6 ALA H . . A . 6 ALA MB . . . 6 ALA HN . . . . . 6 ALA QB . . c15272_2jqb 1 147 1 . . 1 1 7 7 HIS H H . . . 1 1 6 6 ALA MB H . . . . . . . 4.94 . . . . . A . 7 HIS H . . A . 6 ALA MB . . . 7 HIP HN . . . . . 6 ALA QB . . c15272_2jqb 1 148 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.52 . . . . . A . 7 HIS HD2 . . A . 6 ALA MB . . . 7 HIP HD2 . . . . . 6 ALA QB . . c15272_2jqb 1 149 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR MG H . . . . . . . 6.27 . . . . . A . 15 THR HA . . A . 15 THR MG . . . 15 THR HA . . . . . 15 THR QG2 . . c15272_2jqb 1 150 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 ALA MB H . . . . . . . 5.96 . . . . . A . 5 HIS HA . . A . 6 ALA MB . . . 5 HIP HA . . . . . 6 ALA QB . . c15272_2jqb 1 151 1 . . 1 1 6 6 ALA HA H . . . 1 1 6 6 ALA MB H . . . . . . . 4.01 . . . . . A . 6 ALA HA . . A . 6 ALA MB . . . 6 ALA HA . . . . . 6 ALA QB . . c15272_2jqb 1 152 1 . . 1 1 8 8 PRO HD2 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.52 . . . . . A . 8 PRO HD2 . . A . 6 ALA MB . . . 8 PRO HD2 . . . . . 6 ALA QB . . c15272_2jqb 1 153 1 . . 1 1 8 8 PRO HD3 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.52 . . . . . A . 8 PRO HD3 . . A . 6 ALA MB . . . 8 PRO HD3 . . . . . 6 ALA QB . . c15272_2jqb 1 154 1 . . 1 1 7 7 HIS HB3 H . . . 1 1 6 6 ALA MB H . . . . . . . 5.75 . . . . . A . 7 HIS HB3 . . A . 6 ALA MB . . . 7 HIP HB3 . . . . . 6 ALA QB . . c15272_2jqb 1 155 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 6 6 ALA MB H . . . . . . . 6.52 . . . . . A . 7 HIS HB2 . . A . 6 ALA MB . . . 7 HIP HB2 . . . . . 6 ALA QB . . c15272_2jqb 1 156 1 . . 1 1 11 11 ASN HD22 H . . . 1 1 15 15 THR MG H . . . . . . . 6.49 . . . . . A . 11 ASN HD22 . . A . 15 THR MG . . . 11 ASN HD22 . . . . . 15 THR QG2 . . c15272_2jqb 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 'peak 2' 1 49 1 59 c15272_2jqb 1 2 'peak 3' 2 49 2 59 c15272_2jqb 1 3 'peak 4' 3 49 3 59 c15272_2jqb 1 4 'peak 8' 4 49 4 59 c15272_2jqb 1 5 'peak 9' 5 49 5 59 c15272_2jqb 1 6 'peak 10' 6 49 6 59 c15272_2jqb 1 7 'peak 11' 7 49 7 59 c15272_2jqb 1 8 'peak 15' 8 49 8 59 c15272_2jqb 1 9 'peak 16' 9 49 9 59 c15272_2jqb 1 10 'peak 17' 10 49 10 59 c15272_2jqb 1 11 'peak 18' 11 49 11 59 c15272_2jqb 1 12 'peak 19' 12 49 12 59 c15272_2jqb 1 13 'peak 20' 13 49 13 59 c15272_2jqb 1 14 'peak 21' 14 49 14 59 c15272_2jqb 1 15 'peak 22' 15 49 15 59 c15272_2jqb 1 16 'peak 23' 16 49 16 59 c15272_2jqb 1 17 'peak 24' 17 49 17 59 c15272_2jqb 1 18 'peak 26' 18 49 18 59 c15272_2jqb 1 19 'peak 27' 19 49 19 59 c15272_2jqb 1 20 'peak 28' 20 49 20 59 c15272_2jqb 1 21 'peak 29' 21 49 21 59 c15272_2jqb 1 22 'peak 30' 22 49 22 59 c15272_2jqb 1 23 'peak 31' 23 49 23 59 c15272_2jqb 1 24 'peak 36' 24 49 24 59 c15272_2jqb 1 25 'peak 38' 25 49 25 59 c15272_2jqb 1 26 'peak 41' 26 49 26 59 c15272_2jqb 1 27 'peak 42' 27 49 27 59 c15272_2jqb 1 28 'peak 43' 28 49 28 59 c15272_2jqb 1 29 'peak 44' 29 49 29 59 c15272_2jqb 1 30 'peak 45' 30 49 30 59 c15272_2jqb 1 31 'peak 48' 31 49 31 59 c15272_2jqb 1 32 'peak 49' 32 49 32 59 c15272_2jqb 1 33 'peak 73' 33 49 33 59 c15272_2jqb 1 34 'peak 74' 34 49 34 59 c15272_2jqb 1 35 'peak 75' 35 49 35 59 c15272_2jqb 1 36 'peak 76' 36 49 36 59 c15272_2jqb 1 37 'peak 82' 37 49 37 59 c15272_2jqb 1 38 'peak 86' 38 49 38 59 c15272_2jqb 1 39 'peak 88' 39 49 39 59 c15272_2jqb 1 40 'peak 127' 40 49 40 59 c15272_2jqb 1 41 'peak 152' 41 49 41 59 c15272_2jqb 1 42 'peak 164' 42 49 42 59 c15272_2jqb 1 43 'peak 165' 43 49 43 59 c15272_2jqb 1 44 'peak 166' 44 49 44 59 c15272_2jqb 1 45 'peak 167' 45 49 45 59 c15272_2jqb 1 46 'peak 168' 46 49 46 59 c15272_2jqb 1 47 'peak 169' 47 49 47 59 c15272_2jqb 1 48 'peak 170' 48 49 48 59 c15272_2jqb 1 49 'peak 184' 49 49 49 59 c15272_2jqb 1 50 'peak 190' 50 49 50 59 c15272_2jqb 1 51 'peak 193' 51 49 51 59 c15272_2jqb 1 52 'peak 194' 52 49 52 59 c15272_2jqb 1 53 'peak 200' 53 49 53 59 c15272_2jqb 1 54 'peak 201' 54 49 54 59 c15272_2jqb 1 55 'peak 208' 55 49 55 59 c15272_2jqb 1 56 'peak 211' 56 49 56 59 c15272_2jqb 1 57 'peak 214' 57 49 57 59 c15272_2jqb 1 58 'peak 215' 58 49 58 59 c15272_2jqb 1 59 'peak 216' 59 49 59 59 c15272_2jqb 1 60 'peak 217' 60 49 60 59 c15272_2jqb 1 61 'peak 218' 61 49 61 59 c15272_2jqb 1 62 'peak 219' 62 49 62 59 c15272_2jqb 1 63 'peak 220' 63 49 63 59 c15272_2jqb 1 64 'peak 223' 64 49 64 59 c15272_2jqb 1 65 'peak 224' 65 49 65 59 c15272_2jqb 1 66 'peak 226' 66 49 66 59 c15272_2jqb 1 67 'peak 229' 67 49 67 59 c15272_2jqb 1 68 'peak 253' 68 49 68 59 c15272_2jqb 1 69 'peak 255' 69 49 69 59 c15272_2jqb 1 70 'peak 256' 70 49 70 59 c15272_2jqb 1 71 'peak 257' 71 49 71 59 c15272_2jqb 1 72 'peak 258' 72 49 72 59 c15272_2jqb 1 73 'peak 260' 73 49 73 59 c15272_2jqb 1 74 'peak 262' 74 49 74 59 c15272_2jqb 1 75 'peak 263' 75 49 75 59 c15272_2jqb 1 76 'peak 264' 76 49 76 59 c15272_2jqb 1 77 'peak 265' 77 49 77 59 c15272_2jqb 1 78 'peak 267' 78 49 78 59 c15272_2jqb 1 79 'peak 269' 79 49 79 59 c15272_2jqb 1 80 'peak 287' 80 49 80 59 c15272_2jqb 1 81 'peak 288' 81 49 81 59 c15272_2jqb 1 82 'peak 289' 82 49 82 59 c15272_2jqb 1 83 'peak 291' 83 49 83 59 c15272_2jqb 1 84 'peak 300' 84 49 84 59 c15272_2jqb 1 85 'peak 301' 85 49 85 59 c15272_2jqb 1 86 'peak 307' 86 49 86 59 c15272_2jqb 1 87 'peak 46' 87 49 87 59 c15272_2jqb 1 88 'peak 60' 88 49 88 59 c15272_2jqb 1 89 'peak 62' 89 49 89 59 c15272_2jqb 1 90 'peak 66' 90 49 90 59 c15272_2jqb 1 91 'peak 69' 91 49 91 59 c15272_2jqb 1 92 'peak 71' 92 49 92 59 c15272_2jqb 1 93 'peak 72' 93 49 93 59 c15272_2jqb 1 94 'peak 77' 94 49 94 59 c15272_2jqb 1 95 'peak 78' 95 49 95 59 c15272_2jqb 1 96 'peak 79' 96 49 96 59 c15272_2jqb 1 97 'peak 80' 97 49 97 59 c15272_2jqb 1 98 'peak 81' 98 49 98 59 c15272_2jqb 1 99 'peak 92' 99 49 99 59 c15272_2jqb 1 100 'peak 94' 100 49 100 59 c15272_2jqb 1 101 'peak 97' 101 49 101 59 c15272_2jqb 1 102 'peak 100' 102 49 102 59 c15272_2jqb 1 103 'peak 101' 103 49 103 59 c15272_2jqb 1 104 'peak 103' 104 49 104 59 c15272_2jqb 1 105 'peak 104' 105 49 105 59 c15272_2jqb 1 106 'peak 105' 106 49 106 59 c15272_2jqb 1 107 'peak 106' 107 49 107 59 c15272_2jqb 1 108 'peak 107' 108 49 108 59 c15272_2jqb 1 109 'peak 108' 109 49 109 59 c15272_2jqb 1 110 'peak 109' 110 49 110 59 c15272_2jqb 1 111 'peak 110' 111 49 111 59 c15272_2jqb 1 112 'peak 111' 112 49 112 59 c15272_2jqb 1 113 'peak 112' 113 49 113 59 c15272_2jqb 1 114 'peak 114' 114 49 114 59 c15272_2jqb 1 115 'peak 116' 115 49 115 59 c15272_2jqb 1 116 'peak 117' 116 49 116 59 c15272_2jqb 1 117 'peak 118' 117 49 117 59 c15272_2jqb 1 118 'peak 119' 118 49 118 59 c15272_2jqb 1 119 'peak 120' 119 49 119 59 c15272_2jqb 1 120 'peak 121' 120 49 120 59 c15272_2jqb 1 121 'peak 123' 121 49 121 59 c15272_2jqb 1 122 'peak 124' 122 49 122 59 c15272_2jqb 1 123 'peak 125' 123 49 123 59 c15272_2jqb 1 124 'peak 126' 124 49 124 59 c15272_2jqb 1 125 'peak 128' 125 49 125 59 c15272_2jqb 1 126 'peak 129' 126 49 126 59 c15272_2jqb 1 127 'peak 131' 127 49 127 59 c15272_2jqb 1 128 'peak 133' 128 49 128 59 c15272_2jqb 1 129 'peak 134' 129 49 129 59 c15272_2jqb 1 130 'peak 138' 130 49 130 59 c15272_2jqb 1 131 'peak 139' 131 49 131 59 c15272_2jqb 1 132 'peak 140' 132 49 132 59 c15272_2jqb 1 133 'peak 141' 133 49 133 59 c15272_2jqb 1 134 'peak 144' 134 49 134 59 c15272_2jqb 1 135 'peak 145' 135 49 135 59 c15272_2jqb 1 136 'peak 146' 136 49 136 59 c15272_2jqb 1 137 'peak 147' 137 49 137 59 c15272_2jqb 1 138 'peak 148' 138 49 138 59 c15272_2jqb 1 139 'peak 149' 139 49 139 59 c15272_2jqb 1 140 'peak 156' 140 49 140 59 c15272_2jqb 1 141 'peak 162' 141 49 141 59 c15272_2jqb 1 142 'peak 163' 142 49 142 59 c15272_2jqb 1 143 'peak 173' 143 49 143 59 c15272_2jqb 1 144 'peak 175' 144 49 144 59 c15272_2jqb 1 145 'peak 176' 145 49 145 59 c15272_2jqb 1 146 'peak 185' 146 49 146 59 c15272_2jqb 1 147 'peak 202' 147 49 147 59 c15272_2jqb 1 148 'peak 203' 148 49 148 59 c15272_2jqb 1 149 'peak 204' 149 49 149 59 c15272_2jqb 1 150 'peak 205' 150 49 150 59 c15272_2jqb 1 151 'peak 206' 151 49 151 59 c15272_2jqb 1 152 'peak 207' 152 49 152 59 c15272_2jqb 1 153 'peak 210' 153 49 153 59 c15272_2jqb 1 154 'peak 228' 154 49 154 59 c15272_2jqb 1 155 'peak 230' 155 49 155 59 c15272_2jqb 1 156 'peak 231' 156 49 156 59 c15272_2jqb 1 157 'peak 232' 157 49 157 59 c15272_2jqb 1 158 'peak 233' 158 49 158 59 c15272_2jqb 1 159 'peak 234' 159 49 159 59 c15272_2jqb 1 160 'peak 235' 160 49 160 59 c15272_2jqb 1 161 'peak 236' 161 49 161 59 c15272_2jqb 1 162 'peak 237' 162 49 162 59 c15272_2jqb 1 163 'peak 238' 163 49 163 59 c15272_2jqb 1 164 'peak 239' 164 49 164 59 c15272_2jqb 1 165 'peak 240' 165 49 165 59 c15272_2jqb 1 166 'peak 243' 166 49 166 59 c15272_2jqb 1 167 'peak 244' 167 49 167 59 c15272_2jqb 1 168 'peak 245' 168 49 168 59 c15272_2jqb 1 169 'peak 246' 169 49 169 59 c15272_2jqb 1 170 'peak 248' 170 49 170 59 c15272_2jqb 1 171 'peak 249' 171 49 171 59 c15272_2jqb 1 172 'peak 250' 172 49 172 59 c15272_2jqb 1 173 'peak 254' 173 49 173 59 c15272_2jqb 1 174 'peak 259' 174 49 174 59 c15272_2jqb 1 175 'peak 261' 175 49 175 59 c15272_2jqb 1 176 'peak 266' 176 49 176 59 c15272_2jqb 1 177 'peak 271' 177 49 177 59 c15272_2jqb 1 178 'peak 281' 178 49 178 59 c15272_2jqb 1 179 'peak 290' 179 49 179 59 c15272_2jqb 1 180 'peak 292' 180 49 180 59 c15272_2jqb 1 181 'peak 293' 181 49 181 59 c15272_2jqb 1 182 'peak 294' 182 49 182 59 c15272_2jqb 1 183 'peak 295' 183 49 183 59 c15272_2jqb 1 184 'peak 297' 184 49 184 59 c15272_2jqb 1 185 'peak 298' 185 49 185 59 c15272_2jqb 1 186 'peak 299' 186 49 186 59 c15272_2jqb 1 187 'peak 302' 187 49 187 59 c15272_2jqb 1 188 'peak 303' 188 49 188 59 c15272_2jqb 1 189 'peak 304' 189 49 189 59 c15272_2jqb 1 190 'peak 305' 190 49 190 59 c15272_2jqb 1 191 'peak 306' 191 49 191 59 c15272_2jqb 1 192 'peak 308' 192 49 192 59 c15272_2jqb 1 193 'peak 1' 193 49 193 59 c15272_2jqb 1 194 'peak 14' 194 49 194 59 c15272_2jqb 1 195 'peak 122' 195 49 195 59 c15272_2jqb 1 196 'peak 142' 196 49 196 59 c15272_2jqb 1 197 'peak 143' 197 49 197 59 c15272_2jqb 1 198 'peak 195' 198 49 198 59 c15272_2jqb 1 199 'peak 272' 199 49 199 59 c15272_2jqb 1 200 'peak 273' 200 49 200 59 c15272_2jqb 1 201 'peak 274' 201 49 201 59 c15272_2jqb 1 202 'peak 275' 202 49 202 59 c15272_2jqb 1 203 'peak 276' 203 49 203 59 c15272_2jqb 1 204 'peak 277' 204 49 204 59 c15272_2jqb 1 205 'peak 279' 205 49 205 59 c15272_2jqb 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 12 1 "Not handling restraint 12, item 1, resonance(s) ' .13.HA' (nmrStar names) not linked" c15272_2jqb 1 2 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .13.HA' (nmrStar names),' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 3 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 4 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 5 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 6 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .13.HN' (nmrStar names),' .13.HB3' (nmrStar names) not linked" c15272_2jqb 1 7 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .13.HN' (nmrStar names),' .13.HB2' (nmrStar names) not linked" c15272_2jqb 1 8 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .13.HB2' (nmrStar names) not linked" c15272_2jqb 1 9 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .13.HB3' (nmrStar names) not linked" c15272_2jqb 1 10 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 11 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .13.HN' (nmrStar names) not linked" c15272_2jqb 1 12 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 13 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 14 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 15 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 16 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 17 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .13.HB3' (nmrStar names),' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 18 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .13.HA' (nmrStar names),' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 19 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 20 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 21 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 22 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 23 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 24 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 25 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 26 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 27 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .13.HD' (nmrStar names),' .13.HE' (nmrStar names) not linked" c15272_2jqb 1 28 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .13.HE' (nmrStar names) not linked" c15272_2jqb 1 29 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .13.HE' (nmrStar names) not linked" c15272_2jqb 1 30 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .13.HE' (nmrStar names) not linked" c15272_2jqb 1 31 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .13.HE' (nmrStar names) not linked" c15272_2jqb 1 32 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 33 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .13.HN' (nmrStar names),' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 34 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 35 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 36 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .4.HD' (nmrStar names),' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 37 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 38 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .10.HD3' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 39 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .13.HB2' (nmrStar names),' .13.HD' (nmrStar names) not linked" c15272_2jqb 1 40 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 41 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 42 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 43 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 44 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 45 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 46 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c15272_2jqb 1 47 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .10.HD3' (nmrStar names) not linked" c15272_2jqb 1 48 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .13.HB2' (nmrStar names) not linked" c15272_2jqb 1 49 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 50 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .4.HE' (nmrStar names) not linked" c15272_2jqb 1 51 2 197 1 "Not handling restraint 197, item 1, resonance(s) ' .4.HD' (nmrStar names) not linked" c15272_2jqb 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c15272_2jqb _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c15272_2jqb 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 14 14 TRP H H . . . 1 1 11 11 ASN O O . . . . . . . 2.2 . . . . . A . 14 TRP H . . A . 11 ASN O . . . 14 TRP HN . . . . . 11 ASN O . . c15272_2jqb 2 2 1 . . 1 1 11 11 ASN O O . . . 1 1 14 14 TRP N N . . . . . . . 3.2 . . . . . A . 11 ASN O . . A . 14 TRP N . . . 11 ASN O . . . . . 14 TRP N . . c15272_2jqb 2 3 1 . . 1 1 15 15 THR H H . . . 1 1 12 12 SER O O . . . . . . . 2.2 . . . . . A . 15 THR H . . A . 12 SER O . . . 15 THR HN . . . . . 12 SER O . . c15272_2jqb 2 4 1 . . 1 1 12 12 SER O O . . . 1 1 15 15 THR N N . . . . . . . 3.2 . . . . . A . 12 SER O . . A . 15 THR N . . . 12 SER O . . . . . 15 THR N . . c15272_2jqb 2 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 'hbond upl' 1 1 1 10 c15272_2jqb 2 stop_ save_ save_DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c15272_2jqb _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 4 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 . . . . c15272_2jqb 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 ASP C C . . 1 1 2 2 TRP N N . . 1 1 2 2 TRP CA C . . 1 1 2 2 TRP C C . -90.0 -40.0 . . . A . 1 ASP C . . A . 2 TRP N . . A . 2 TRP CA . . A . 2 TRP C . . . 2 TRP . . . . . . 2 TRP . . . . . . 2 TRP . . . . . . 2 TRP . . . c15272_2jqb 1 2 PHI . 1 1 2 2 TRP C C . . 1 1 3 3 GLU N N . . 1 1 3 3 GLU CA C . . 1 1 3 3 GLU C C . -100.0 -30.0 . . . A . 2 TRP C . . A . 3 GLU N . . A . 3 GLU CA . . A . 3 GLU C . . . 3 GLU . . . . . . 3 GLU . . . . . . 3 GLU . . . . . . 3 GLU . . . c15272_2jqb 1 3 PHI . 1 1 3 3 GLU C C . . 1 1 4 4 TYR N N . . 1 1 4 4 TYR CA C . . 1 1 4 4 TYR C C . -100.0 -30.0 . . . A . 3 GLU C . . A . 4 TYR N . . A . 4 TYR CA . . A . 4 TYR C . . . 4 TYR . . . . . . 4 TYR . . . . . . 4 TYR . . . . . . 4 TYR . . . c15272_2jqb 1 4 PHI . 1 1 5 5 HIS C C . . 1 1 6 6 ALA N N . . 1 1 6 6 ALA CA C . . 1 1 6 6 ALA C C . -100.0 -30.0 . . . A . 5 HIS C . . A . 6 ALA N . . A . 6 ALA CA . . A . 6 ALA C . . . 6 ALA . . . . . . 6 ALA . . . . . . 6 ALA . . . . . . 6 ALA . . . c15272_2jqb 1 5 PHI . 1 1 8 8 PRO C C . . 1 1 9 9 LYS N N . . 1 1 9 9 LYS CA C . . 1 1 9 9 LYS C C . -100.0 -30.0 . . . A . 8 PRO C . . A . 9 LYS N . . A . 9 LYS CA . . A . 9 LYS C . . . 9 LYS . . . . . . 9 LYS . . . . . . 9 LYS . . . . . . 9 LYS . . . c15272_2jqb 1 6 PHI . 1 1 10 10 HYP C C . . 1 1 11 11 ASN N N . . 1 1 11 11 ASN CA C . . 1 1 11 11 ASN C C . -100.0 -30.0 . . . A . 10 HYP C . . A . 11 ASN N . . A . 11 ASN CA . . A . 11 ASN C . . . 11 ASN . . . . . . 11 ASN . . . . . . 11 ASN . . . . . . 11 ASN . . . c15272_2jqb 1 7 PHI . 1 1 11 11 ASN C C . . 1 1 12 12 SER N N . . 1 1 12 12 SER CA C . . 1 1 12 12 SER C C . -90.0 -40.0 . . . A . 11 ASN C . . A . 12 SER N . . A . 12 SER CA . . A . 12 SER C . . . 12 SER . . . . . . 12 SER . . . . . . 12 SER . . . . . . 12 SER . . . c15272_2jqb 1 8 PHI . 1 1 14 14 TRP C C . . 1 1 15 15 THR N N . . 1 1 15 15 THR CA C . . 1 1 15 15 THR C C . -165.0 -75.0 . . . A . 14 TRP C . . A . 15 THR N . . A . 15 THR CA . . A . 15 THR C . . . 15 THR . . . . . . 15 THR . . . . . . 15 THR . . . . . . 15 THR . . . c15272_2jqb 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 aco 1 1 1 4 c15272_2jqb 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 c15272_2jqb _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER TOXIN 31-MAY-07 2JQB *TITLE SOLUTION STRUCTURE OF A NOVEL D-AMINO ACID CONTAINING *TITLE 2 CONOPEPTIDE, CONOMARPHIN AT PH 5 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MR12; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE IS NATURALLY FOUND IN CONUS *SOURCE 4 MARMOREUS. *KEYWDS M CONO-TOXIN, MR12, NMR SOLUTION STRUCTURE *EXPDTA NMR, 20 STRUCTURES *AUTHOR F.HUANG, W.DU, Y.HAN, C.WANG, C.CHI *REVDAT 1 03-JUN-08 2JQB 0' save_