data_c30382_6bvx ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30382_6bvx _Entry.Title ; SFTI-HFRW-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-14 _Entry.Accession_date 2017-12-14 _Entry.Last_release_date 2018-01-10 _Entry.Original_release_date 2018-01-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Schroeder C. I. . . c30382_6bvx stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . c30382_6bvx SFTI . c30382_6bvx 'cyclic peptide' . c30382_6bvx melanocortin . c30382_6bvx pharmacophore . c30382_6bvx stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30382_6bvx spectral_peak_list 1 c30382_6bvx stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 35 c30382_6bvx '15N chemical shifts' 12 c30382_6bvx '1H chemical shifts' 87 c30382_6bvx stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-12-13 . original BMRB . c30382_6bvx stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BVX 'BMRB Entry Tracking System' c30382_6bvx stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30382_6bvx _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.jmedchem.8b00170 _Citation.PubMed_ID 29605997 _Citation.Full_citation . _Citation.Title ; Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 61 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4804 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3674 _Citation.Page_last 3684 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Durek T. . . . c30382_6bvx 1 2 Philipp Cromm P. M. . . c30382_6bvx 1 3 Andrew White A. M. . . c30382_6bvx 1 4 Christina Schroeder C. I. . . c30382_6bvx 1 5 Quentin Kaas Q. . . . c30382_6bvx 1 6 Joachim Weidmann J. . . . c30382_6bvx 1 7 Abdullah 'Ahmad Fuaad' A. . . . c30382_6bvx 1 8 Olivier Cheneval O. . . . c30382_6bvx 1 9 Peta Harvey P. J. . . c30382_6bvx 1 10 Norelle Daly N. L. . . c30382_6bvx 1 11 Yang Zhou Y. . . . c30382_6bvx 1 12 Anita Dellsen A. . . . c30382_6bvx 1 13 Torben Osterlund T. . . . c30382_6bvx 1 14 Niklas Larsson N. . . . c30382_6bvx 1 15 Laurent Knerr L. . . . c30382_6bvx 1 16 Udo Bauer U. . . . c30382_6bvx 1 17 Horst Kessler H. . . . c30382_6bvx 1 18 Minying Cai M. . . . c30382_6bvx 1 19 Victor Hruby V. J. . . c30382_6bvx 1 20 Alleyn Plowright A. T. . . c30382_6bvx 1 21 David Craik D. J. . . c30382_6bvx 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30382_6bvx _Assembly.ID 1 _Assembly.Name 'Trypsin inhibitor HFRW-2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c30382_6bvx 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30382_6bvx _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CTHXXWPICFPDGR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1751.042 _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 . CYS . c30382_6bvx 1 2 . THR . c30382_6bvx 1 3 . HIS . c30382_6bvx 1 4 . DPN . c30382_6bvx 1 5 . MMO . c30382_6bvx 1 6 . TRP . c30382_6bvx 1 7 . PRO . c30382_6bvx 1 8 . ILE . c30382_6bvx 1 9 . CYS . c30382_6bvx 1 10 . PHE . c30382_6bvx 1 11 . PRO . c30382_6bvx 1 12 . ASP . c30382_6bvx 1 13 . GLY . c30382_6bvx 1 14 . ARG . c30382_6bvx 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 . CYS 1 1 c30382_6bvx 1 . THR 2 2 c30382_6bvx 1 . HIS 3 3 c30382_6bvx 1 . DPN 4 4 c30382_6bvx 1 . MMO 5 5 c30382_6bvx 1 . TRP 6 6 c30382_6bvx 1 . PRO 7 7 c30382_6bvx 1 . ILE 8 8 c30382_6bvx 1 . CYS 9 9 c30382_6bvx 1 . PHE 10 10 c30382_6bvx 1 . PRO 11 11 c30382_6bvx 1 . ASP 12 12 c30382_6bvx 1 . GLY 13 13 c30382_6bvx 1 . ARG 14 14 c30382_6bvx 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 c30382_6bvx _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4232 organism . 'Helianthus annuus' 'common sunflower' . . Eukaryota Viridiplantae Helianthus annuus . . . . . . . . . . . . . c30382_6bvx 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 c30382_6bvx _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30382_6bvx 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MMO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MMO _Chem_comp.Entry_ID c30382_6bvx _Chem_comp.ID MMO _Chem_comp.Provenance PDB _Chem_comp.Name N~2~-methyl-L-arginine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MMO _Chem_comp.PDB_code MMO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code R _Chem_comp.Three_letter_code MMO _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ARG _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C7 H16 N4 O2' _Chem_comp.Formula_weight 188.228 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EB1 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNC(CCCNC(=N)N)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c30382_6bvx MMO CN[C@@H](CCCNC(N)=N)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30382_6bvx MMO CN[CH](CCCNC(N)=N)C(O)=O SMILES CACTVS 3.370 c30382_6bvx MMO InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1 InChI InChI 1.03 c30382_6bvx MMO NTWVQPHTOUKMDI-YFKPBYRVSA-N InChIKey InChI 1.03 c30382_6bvx MMO O=C(O)C(NC)CCCNC(=[N@H])N SMILES ACDLabs 12.01 c30382_6bvx MMO [H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30382_6bvx MMO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30382_6bvx MMO N~2~-methyl-L-arginine 'SYSTEMATIC NAME' ACDLabs 12.01 c30382_6bvx MMO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 13.133 . -11.401 . 15.837 . 2.160 -1.382 0.531 1 . c30382_6bvx MMO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 14.461 . -11.725 . 16.444 . 2.018 -0.169 -0.287 2 . c30382_6bvx MMO C C C C . C . . N 0 . . . 1 no no . . . . 14.731 . -10.762 . 17.610 . 3.190 0.744 -0.037 3 . c30382_6bvx MMO O O O O . O . . N 0 . . . 1 no no . . . . 15.622 . -9.910 . 17.535 . 3.780 0.697 1.016 4 . c30382_6bvx MMO CB CB CB CB . C . . N 0 . . . 1 no no . . . . 15.600 . -11.697 . 15.361 . 0.721 0.550 0.088 5 . c30382_6bvx MMO CG CG CG CG . C . . N 0 . . . 1 no no . . . . 15.302 . -12.698 . 14.211 . -0.475 -0.329 -0.282 6 . c30382_6bvx MMO CD CD CD CD . C . . N 0 . . . 1 no no . . . . 16.434 . -12.730 . 13.160 . -1.772 0.391 0.093 7 . c30382_6bvx MMO NE NE NE NE . N . . N 0 . . . 1 no no . . . . 16.663 . -11.409 . 12.544 . -2.918 -0.451 -0.261 8 . c30382_6bvx MMO CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 17.663 . -11.179 . 11.711 . -4.196 -0.010 -0.016 9 . c30382_6bvx MMO NH2 NH2 NH2 NH2 . N . . N 0 . . . 1 no no . . . . 18.536 . -12.110 . 11.361 . -4.400 1.221 0.561 10 . c30382_6bvx MMO NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 17.800 . -9.951 . 11.183 . -5.216 -0.759 -0.331 11 . c30382_6bvx MMO CN CN CN CN . C . . N 0 . . . 1 no no . . . . 12.809 . -10.043 . 15.332 . 3.015 -2.371 -0.138 12 . c30382_6bvx MMO H2 H2 H2 H . H . . N 0 . . . 1 no yes . . . . 13.045 . -12.008 . 15.047 . 2.514 -1.159 1.449 13 . c30382_6bvx MMO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.446 . -12.750 . 16.843 . 1.990 -0.444 -1.342 14 . c30382_6bvx MMO HCB1 HCB1 HCB1 HCB1 . H . . N 0 . . . 0 no no . . . . 15.669 . -10.682 . 14.942 . 0.711 0.746 1.160 15 . c30382_6bvx MMO HCB2 HCB2 HCB2 HCB2 . H . . N 0 . . . 0 no no . . . . 16.552 . -11.973 . 15.837 . 0.660 1.494 -0.454 16 . c30382_6bvx MMO HCG1 HCG1 HCG1 HCG1 . H . . N 0 . . . 0 no no . . . . 15.194 . -13.705 . 14.641 . -0.465 -0.525 -1.354 17 . c30382_6bvx MMO HCG2 HCG2 HCG2 HCG2 . H . . N 0 . . . 0 no no . . . . 14.370 . -12.393 . 13.713 . -0.413 -1.273 0.260 18 . c30382_6bvx MMO HCD1 HCD1 HCD1 HCD1 . H . . N 0 . . . 0 no no . . . . 17.362 . -13.051 . 13.655 . -1.782 0.586 1.165 19 . c30382_6bvx MMO HCD2 HCD2 HCD2 HCD2 . H . . N 0 . . . 0 no no . . . . 16.157 . -13.442 . 12.369 . -1.834 1.334 -0.449 20 . c30382_6bvx MMO HH21 HH21 HH21 HH21 . H . . N 0 . . . 0 no no . . . . 19.272 . -11.890 . 10.720 . -3.642 1.778 0.795 21 . c30382_6bvx MMO HH22 HH22 HH22 HH22 . H . . N 0 . . . 0 no no . . . . 18.460 . -13.033 . 11.737 . -5.303 1.532 0.734 22 . c30382_6bvx MMO HH11 HH11 HH11 HH11 . H . . N 0 . . . 0 no no . . . . 18.582 . -9.895 . 10.563 . -6.118 -0.448 -0.158 23 . c30382_6bvx MMO HC1 HC1 HC1 HC1 . H . . N 0 . . . 1 no no . . . . 11.785 . -10.035 . 14.931 . 3.092 -3.264 0.483 24 . c30382_6bvx MMO HC2 HC2 HC2 HC2 . H . . N 0 . . . 1 no no . . . . 12.886 . -9.318 . 16.155 . 2.581 -2.635 -1.102 25 . c30382_6bvx MMO HC3 HC3 HC3 HC3 . H . . N 0 . . . 1 no no . . . . 13.516 . -9.770 . 14.535 . 4.008 -1.949 -0.290 26 . c30382_6bvx MMO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 14.093 . -10.648 . 18.885 . 3.579 1.612 -0.985 27 . c30382_6bvx MMO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 14.498 . -9.946 . 19.381 . 4.336 2.177 -0.779 28 . c30382_6bvx MMO HE HE HE HE . H . . N 0 . . . 1 no no . . . . 16.038 . -10.660 . 12.765 . -2.774 -1.320 -0.668 29 . c30382_6bvx MMO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30382_6bvx MMO 2 . SING N CN no N 2 . c30382_6bvx MMO 3 . SING N H2 no N 3 . c30382_6bvx MMO 4 . SING CA C no N 4 . c30382_6bvx MMO 5 . SING CA CB no N 5 . c30382_6bvx MMO 6 . SING CA HA no N 6 . c30382_6bvx MMO 7 . DOUB C O no N 7 . c30382_6bvx MMO 8 . SING CB CG no N 8 . c30382_6bvx MMO 9 . SING CB HCB1 no N 9 . c30382_6bvx MMO 10 . SING CB HCB2 no N 10 . c30382_6bvx MMO 11 . SING CG CD no N 11 . c30382_6bvx MMO 12 . SING CG HCG1 no N 12 . c30382_6bvx MMO 13 . SING CG HCG2 no N 13 . c30382_6bvx MMO 14 . SING CD NE no N 14 . c30382_6bvx MMO 15 . SING CD HCD1 no N 15 . c30382_6bvx MMO 16 . SING CD HCD2 no N 16 . c30382_6bvx MMO 17 . SING NE CZ no N 17 . c30382_6bvx MMO 18 . SING CZ NH2 no N 18 . c30382_6bvx MMO 19 . DOUB CZ NH1 no N 19 . c30382_6bvx MMO 20 . SING NH2 HH21 no N 20 . c30382_6bvx MMO 21 . SING NH2 HH22 no N 21 . c30382_6bvx MMO 22 . SING NH1 HH11 no N 22 . c30382_6bvx MMO 23 . SING CN HC1 no N 23 . c30382_6bvx MMO 24 . SING CN HC2 no N 24 . c30382_6bvx MMO 25 . SING CN HC3 no N 25 . c30382_6bvx MMO 26 . SING C OXT no N 26 . c30382_6bvx MMO 27 . SING OXT HXT no N 27 . c30382_6bvx MMO 28 . SING NE HE no N 28 . c30382_6bvx MMO stop_ save_ save_chem_comp_DPN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPN _Chem_comp.Entry_ID c30382_6bvx _Chem_comp.ID DPN _Chem_comp.Provenance PDB _Chem_comp.Name D-PHENYLALANINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPN _Chem_comp.PDB_code DPN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2013-02-06 _Chem_comp.Modified_date 2013-02-06 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code F _Chem_comp.Three_letter_code DPN _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code 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 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID COLNVLDHVKWLRT-MRVPVSSYSA-N InChIKey InChI 1.03 c30382_6bvx 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 c30382_6bvx DPN N[C@H](Cc1ccccc1)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30382_6bvx DPN N[CH](Cc1ccccc1)C(O)=O SMILES CACTVS 3.370 c30382_6bvx DPN O=C(O)C(N)Cc1ccccc1 SMILES ACDLabs 12.01 c30382_6bvx DPN c1ccc(cc1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.6 c30382_6bvx DPN c1ccc(cc1)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c30382_6bvx 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 '(2R)-2-azanyl-3-phenyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c30382_6bvx DPN D-phenylalanine 'SYSTEMATIC NAME' ACDLabs 12.01 c30382_6bvx 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 . N . . N 0 . . . 1 no no . . . . 34.692 . 5.147 . 11.886 . -1.074 1.447 0.824 1 . c30382_6bvx DPN CA CA CA CA . C . . R 0 . . . 1 no no . . . . 34.648 . 5.692 . 10.509 . -1.289 0.054 0.411 2 . c30382_6bvx DPN C C C C . C . . N 0 . . . 1 no no . . . . 33.882 . 7.017 . 10.467 . -2.740 -0.147 0.057 3 . c30382_6bvx DPN O O O O . O . . N 0 . . . 1 no no . . . . 33.561 . 7.596 . 11.514 . -3.434 0.805 -0.213 4 . c30382_6bvx DPN OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 33.600 . 7.485 . 9.254 . -3.263 -1.383 0.041 5 . c30382_6bvx DPN CB CB CB CB . C . . N 0 . . . 1 no no . . . . 36.067 . 5.886 . 9.998 . -0.419 -0.257 -0.809 6 . c30382_6bvx DPN CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 36.930 . 6.703 . 10.909 . 1.035 -0.176 -0.422 7 . c30382_6bvx DPN CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 37.767 . 6.083 . 11.827 . 1.690 -1.300 0.042 8 . c30382_6bvx DPN CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 36.921 . 8.095 . 10.838 . 1.715 1.023 -0.537 9 . c30382_6bvx DPN CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 38.584 . 6.833 . 12.661 . 3.024 -1.226 0.397 10 . c30382_6bvx DPN CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 37.732 . 8.857 . 11.666 . 3.049 1.097 -0.183 11 . c30382_6bvx DPN CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 38.566 . 8.224 . 12.578 . 3.703 -0.027 0.287 12 . c30382_6bvx DPN H H H H . H . . N 0 . . . 1 no no . . . . 35.196 . 4.284 . 11.887 . -1.317 2.086 0.082 13 . c30382_6bvx DPN H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 35.149 . 5.801 . 12.489 . -1.589 1.658 1.666 14 . c30382_6bvx DPN HA HA HA HA . H . . N 0 . . . 1 no no . . . . 34.135 . 4.973 . 9.854 . -1.019 -0.614 1.229 15 . c30382_6bvx DPN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 33.129 . 8.306 . 9.333 . -4.198 -1.462 -0.192 16 . c30382_6bvx DPN HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . 36.530 . 4.896 . 9.877 . -0.644 -1.260 -1.170 17 . c30382_6bvx DPN HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . 36.018 . 6.390 . 9.022 . -0.627 0.468 -1.597 18 . c30382_6bvx DPN HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 37.782 . 5.005 . 11.893 . 1.160 -2.237 0.128 19 . c30382_6bvx DPN HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 36.273 . 8.587 . 10.128 . 1.204 1.900 -0.905 20 . c30382_6bvx DPN HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 39.231 . 6.341 . 13.372 . 3.536 -2.105 0.761 21 . c30382_6bvx DPN HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 37.715 . 9.935 . 11.602 . 3.581 2.033 -0.273 22 . c30382_6bvx DPN HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . 39.202 . 8.811 . 13.224 . 4.745 0.031 0.564 23 . c30382_6bvx 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 . c30382_6bvx DPN 2 . SING N H no N 2 . c30382_6bvx DPN 3 . SING N H2 no N 3 . c30382_6bvx DPN 4 . SING CA C no N 4 . c30382_6bvx DPN 5 . SING CA CB no N 5 . c30382_6bvx DPN 6 . SING CA HA no N 6 . c30382_6bvx DPN 7 . DOUB C O no N 7 . c30382_6bvx DPN 8 . SING C OXT no N 8 . c30382_6bvx DPN 9 . SING OXT HXT no N 9 . c30382_6bvx DPN 10 . SING CB CG no N 10 . c30382_6bvx DPN 11 . SING CB HB2 no N 11 . c30382_6bvx DPN 12 . SING CB HB3 no N 12 . c30382_6bvx DPN 13 . DOUB CG CD1 yes N 13 . c30382_6bvx DPN 14 . SING CG CD2 yes N 14 . c30382_6bvx DPN 15 . SING CD1 CE1 yes N 15 . c30382_6bvx DPN 16 . SING CD1 HD1 no N 16 . c30382_6bvx DPN 17 . DOUB CD2 CE2 yes N 17 . c30382_6bvx DPN 18 . SING CD2 HD2 no N 18 . c30382_6bvx DPN 19 . DOUB CE1 CZ yes N 19 . c30382_6bvx DPN 20 . SING CE1 HE1 no N 20 . c30382_6bvx DPN 21 . SING CE2 CZ yes N 21 . c30382_6bvx DPN 22 . SING CE2 HE2 no N 22 . c30382_6bvx DPN 23 . SING CZ HZ no N 23 . c30382_6bvx DPN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30382_6bvx _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM SFTI-HFRW-2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SFTI-HFRW-2 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . c30382_6bvx 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30382_6bvx _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.5 . pH c30382_6bvx 1 pressure 1 . Pa c30382_6bvx 1 temperature 298 . K c30382_6bvx 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30382_6bvx _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c30382_6bvx 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30382_6bvx 1 'structure calculation' c30382_6bvx 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30382_6bvx _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30382_6bvx 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30382_6bvx 2 'peak picking' c30382_6bvx 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30382_6bvx _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30382_6bvx 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30382_6bvx 3 processing c30382_6bvx 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30382_6bvx _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 c30382_6bvx _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . c30382_6bvx 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 c30382_6bvx _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30382_6bvx 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30382_6bvx 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30382_6bvx 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30382_6bvx 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30382_6bvx _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . c30382_6bvx 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30382_6bvx _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c30382_6bvx 1 2 '2D 1H-1H NOESY' . . . c30382_6bvx 1 3 '2D 1H-13C HSQC' . . . c30382_6bvx 1 4 '2D 1H-15N HSQC' . . . c30382_6bvx 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 CYS H H 1 8.364 0.008 . . . . . . A 1 CYS H1 . c30382_6bvx 1 2 . 1 1 1 1 CYS HA H 1 5.684 0.007 . . . . . . A 1 CYS HA . c30382_6bvx 1 3 . 1 1 1 1 CYS HB2 H 1 2.921 0.004 . . . . . . A 1 CYS HB2 . c30382_6bvx 1 4 . 1 1 1 1 CYS HB3 H 1 2.798 0.004 . . . . . . A 1 CYS HB3 . c30382_6bvx 1 5 . 1 1 1 1 CYS CA C 13 55.558 0.000 . . . . . . A 1 CYS CA . c30382_6bvx 1 6 . 1 1 1 1 CYS CB C 13 48.903 0.000 . . . . . . A 1 CYS CB . c30382_6bvx 1 7 . 1 1 1 1 CYS N N 15 119.871 0.000 . . . . . . A 1 CYS N . c30382_6bvx 1 8 . 1 1 2 2 THR H H 1 8.947 0.003 . . . . . . A 2 THR H . c30382_6bvx 1 9 . 1 1 2 2 THR HA H 1 4.298 0.009 . . . . . . A 2 THR HA . c30382_6bvx 1 10 . 1 1 2 2 THR HB H 1 4.410 0.006 . . . . . . A 2 THR HB . c30382_6bvx 1 11 . 1 1 2 2 THR HG21 H 1 1.296 0.003 . . . . . . A 2 THR HG21 . c30382_6bvx 1 12 . 1 1 2 2 THR HG22 H 1 1.296 0.003 . . . . . . A 2 THR HG22 . c30382_6bvx 1 13 . 1 1 2 2 THR HG23 H 1 1.296 0.003 . . . . . . A 2 THR HG23 . c30382_6bvx 1 14 . 1 1 2 2 THR CA C 13 65.288 0.000 . . . . . . A 2 THR CA . c30382_6bvx 1 15 . 1 1 2 2 THR CB C 13 69.728 0.000 . . . . . . A 2 THR CB . c30382_6bvx 1 16 . 1 1 2 2 THR CG2 C 13 22.495 0.000 . . . . . . A 2 THR CG2 . c30382_6bvx 1 17 . 1 1 2 2 THR N N 15 114.240 0.000 . . . . . . A 2 THR N . c30382_6bvx 1 18 . 1 1 3 3 HIS H H 1 8.328 0.003 . . . . . . A 3 HIS H . c30382_6bvx 1 19 . 1 1 3 3 HIS HA H 1 4.722 0.004 . . . . . . A 3 HIS HA . c30382_6bvx 1 20 . 1 1 3 3 HIS HB2 H 1 2.993 0.006 . . . . . . A 3 HIS HB2 . c30382_6bvx 1 21 . 1 1 3 3 HIS HB3 H 1 2.845 0.007 . . . . . . A 3 HIS HB3 . c30382_6bvx 1 22 . 1 1 3 3 HIS HD2 H 1 7.016 0.001 . . . . . . A 3 HIS HD2 . c30382_6bvx 1 23 . 1 1 3 3 HIS HE1 H 1 8.505 0.000 . . . . . . A 3 HIS HE1 . c30382_6bvx 1 24 . 1 1 3 3 HIS CB C 13 30.932 0.012 . . . . . . A 3 HIS CB . c30382_6bvx 1 25 . 1 1 3 3 HIS N N 15 115.139 0.000 . . . . . . A 3 HIS N . c30382_6bvx 1 26 . 1 1 4 4 DPN H H 1 8.637 0.005 . . . . . . A 4 DPN H . c30382_6bvx 1 27 . 1 1 4 4 DPN N N 15 124.502 0.000 . . . . . . A 4 DPN N . c30382_6bvx 1 28 . 1 1 4 4 DPN CA C 13 53.780 0.000 . . . . . . A 4 DPN CA . c30382_6bvx 1 29 . 1 1 4 4 DPN CB C 13 40.693 0.000 . . . . . . A 4 DPN CB . c30382_6bvx 1 30 . 1 1 4 4 DPN HA H 1 5.169 0.004 . . . . . . A 4 DPN HA . c30382_6bvx 1 31 . 1 1 4 4 DPN HB2 H 1 2.857 0.011 . . . . . . A 4 DPN HB2 . c30382_6bvx 1 32 . 1 1 4 4 DPN HD2 H 1 7.147 0.002 . . . . . . A 4 DPN HD2 . c30382_6bvx 1 33 . 1 1 4 4 DPN HE2 H 1 7.235 0.000 . . . . . . A 4 DPN HE2 . c30382_6bvx 1 34 . 1 1 5 5 MMO N N 15 2.743 0.000 . . . . . . A 5 MMO N . c30382_6bvx 1 35 . 1 1 5 5 MMO CA C 13 60.747 0.000 . . . . . . A 5 MMO CA . c30382_6bvx 1 36 . 1 1 5 5 MMO CB C 13 28.001 0.012 . . . . . . A 5 MMO CB . c30382_6bvx 1 37 . 1 1 5 5 MMO CG C 13 27.596 0.000 . . . . . . A 5 MMO CG . c30382_6bvx 1 38 . 1 1 5 5 MMO HA H 1 4.134 0.005 . . . . . . A 5 MMO HA . c30382_6bvx 1 39 . 1 1 5 5 MMO HCB1 H 1 1.036 0.007 . . . . . . A 5 MMO HCB1 . c30382_6bvx 1 40 . 1 1 5 5 MMO HCD1 H 1 2.696 0.005 . . . . . . A 5 MMO HCD1 . c30382_6bvx 1 41 . 1 1 5 5 MMO HCB2 H 1 0.869 0.005 . . . . . . A 5 MMO HCB2 . c30382_6bvx 1 42 . 1 1 5 5 MMO HCG1 H 1 0.666 0.003 . . . . . . A 5 MMO HCG1 . c30382_6bvx 1 43 . 1 1 5 5 MMO HE H 1 6.802 0.003 . . . . . . A 5 MMO HE . c30382_6bvx 1 44 . 1 1 5 5 MMO NE N 15 119.704 0.000 . . . . . . A 5 MMO NE . c30382_6bvx 1 45 . 1 1 6 6 TRP H H 1 8.056 0.006 . . . . . . A 6 TRP H . c30382_6bvx 1 46 . 1 1 6 6 TRP HA H 1 4.535 0.004 . . . . . . A 6 TRP HA . c30382_6bvx 1 47 . 1 1 6 6 TRP HB2 H 1 3.160 0.006 . . . . . . A 6 TRP HB2 . c30382_6bvx 1 48 . 1 1 6 6 TRP HB3 H 1 3.041 0.005 . . . . . . A 6 TRP HB3 . c30382_6bvx 1 49 . 1 1 6 6 TRP HD1 H 1 7.087 0.004 . . . . . . A 6 TRP HD1 . c30382_6bvx 1 50 . 1 1 6 6 TRP HE1 H 1 9.964 0.000 . . . . . . A 6 TRP HE1 . c30382_6bvx 1 51 . 1 1 6 6 TRP HE3 H 1 7.531 0.004 . . . . . . A 6 TRP HE3 . c30382_6bvx 1 52 . 1 1 6 6 TRP HZ2 H 1 7.387 0.000 . . . . . . A 6 TRP HZ2 . c30382_6bvx 1 53 . 1 1 6 6 TRP HZ3 H 1 7.055 0.000 . . . . . . A 6 TRP HZ3 . c30382_6bvx 1 54 . 1 1 6 6 TRP CA C 13 55.678 0.000 . . . . . . A 6 TRP CA . c30382_6bvx 1 55 . 1 1 6 6 TRP CB C 13 27.352 0.012 . . . . . . A 6 TRP CB . c30382_6bvx 1 56 . 1 1 6 6 TRP N N 15 119.204 0.000 . . . . . . A 6 TRP N . c30382_6bvx 1 57 . 1 1 6 6 TRP NE1 N 15 128.467 0.000 . . . . . . A 6 TRP NE1 . c30382_6bvx 1 58 . 1 1 7 7 PRO HA H 1 3.987 0.004 . . . . . . A 7 PRO HA . c30382_6bvx 1 59 . 1 1 7 7 PRO HB2 H 1 1.918 0.003 . . . . . . A 7 PRO HB2 . c30382_6bvx 1 60 . 1 1 7 7 PRO HB3 H 1 1.678 0.005 . . . . . . A 7 PRO HB3 . c30382_6bvx 1 61 . 1 1 7 7 PRO HG2 H 1 1.888 0.002 . . . . . . A 7 PRO HG2 . c30382_6bvx 1 62 . 1 1 7 7 PRO HG3 H 1 1.783 0.002 . . . . . . A 7 PRO HG3 . c30382_6bvx 1 63 . 1 1 7 7 PRO HD2 H 1 3.512 0.002 . . . . . . A 7 PRO HD2 . c30382_6bvx 1 64 . 1 1 7 7 PRO HD3 H 1 3.389 0.003 . . . . . . A 7 PRO HD3 . c30382_6bvx 1 65 . 1 1 7 7 PRO CA C 13 63.246 0.000 . . . . . . A 7 PRO CA . c30382_6bvx 1 66 . 1 1 7 7 PRO CB C 13 32.518 0.036 . . . . . . A 7 PRO CB . c30382_6bvx 1 67 . 1 1 7 7 PRO CG C 13 27.388 0.024 . . . . . . A 7 PRO CG . c30382_6bvx 1 68 . 1 1 7 7 PRO CD C 13 50.284 0.012 . . . . . . A 7 PRO CD . c30382_6bvx 1 69 . 1 1 8 8 ILE H H 1 7.998 0.002 . . . . . . A 8 ILE H . c30382_6bvx 1 70 . 1 1 8 8 ILE HA H 1 4.177 0.004 . . . . . . A 8 ILE HA . c30382_6bvx 1 71 . 1 1 8 8 ILE HB H 1 1.556 0.004 . . . . . . A 8 ILE HB . c30382_6bvx 1 72 . 1 1 8 8 ILE HG12 H 1 1.283 0.008 . . . . . . A 8 ILE HG12 . c30382_6bvx 1 73 . 1 1 8 8 ILE HG13 H 1 0.895 0.003 . . . . . . A 8 ILE HG13 . c30382_6bvx 1 74 . 1 1 8 8 ILE HG21 H 1 0.691 0.010 . . . . . . A 8 ILE HG21 . c30382_6bvx 1 75 . 1 1 8 8 ILE HG22 H 1 0.691 0.010 . . . . . . A 8 ILE HG22 . c30382_6bvx 1 76 . 1 1 8 8 ILE HG23 H 1 0.691 0.010 . . . . . . A 8 ILE HG23 . c30382_6bvx 1 77 . 1 1 8 8 ILE HD11 H 1 0.506 0.008 . . . . . . A 8 ILE HD11 . c30382_6bvx 1 78 . 1 1 8 8 ILE HD12 H 1 0.506 0.008 . . . . . . A 8 ILE HD12 . c30382_6bvx 1 79 . 1 1 8 8 ILE HD13 H 1 0.506 0.008 . . . . . . A 8 ILE HD13 . c30382_6bvx 1 80 . 1 1 8 8 ILE CA C 13 59.882 0.000 . . . . . . A 8 ILE CA . c30382_6bvx 1 81 . 1 1 8 8 ILE CB C 13 41.011 0.000 . . . . . . A 8 ILE CB . c30382_6bvx 1 82 . 1 1 8 8 ILE CG1 C 13 26.896 0.012 . . . . . . A 8 ILE CG1 . c30382_6bvx 1 83 . 1 1 8 8 ILE CD1 C 13 17.401 0.000 . . . . . . A 8 ILE CD1 . c30382_6bvx 1 84 . 1 1 8 8 ILE N N 15 121.470 0.000 . . . . . . A 8 ILE N . c30382_6bvx 1 85 . 1 1 9 9 CYS H H 1 8.252 0.003 . . . . . . A 9 CYS H . c30382_6bvx 1 86 . 1 1 9 9 CYS HA H 1 5.231 0.010 . . . . . . A 9 CYS HA . c30382_6bvx 1 87 . 1 1 9 9 CYS HB2 H 1 2.801 0.005 . . . . . . A 9 CYS HB2 . c30382_6bvx 1 88 . 1 1 9 9 CYS HB3 H 1 2.731 0.003 . . . . . . A 9 CYS HB3 . c30382_6bvx 1 89 . 1 1 9 9 CYS CA C 13 55.389 0.000 . . . . . . A 9 CYS CA . c30382_6bvx 1 90 . 1 1 9 9 CYS CB C 13 46.320 0.012 . . . . . . A 9 CYS CB . c30382_6bvx 1 91 . 1 1 9 9 CYS N N 15 121.137 0.000 . . . . . . A 9 CYS N . c30382_6bvx 1 92 . 1 1 10 10 PHE H H 1 8.819 0.013 . . . . . . A 10 PHE H . c30382_6bvx 1 93 . 1 1 10 10 PHE HA H 1 4.767 0.012 . . . . . . A 10 PHE HA . c30382_6bvx 1 94 . 1 1 10 10 PHE HB2 H 1 3.297 0.002 . . . . . . A 10 PHE HB2 . c30382_6bvx 1 95 . 1 1 10 10 PHE HB3 H 1 2.966 0.016 . . . . . . A 10 PHE HB3 . c30382_6bvx 1 96 . 1 1 10 10 PHE HD1 H 1 7.201 0.005 . . . . . . A 10 PHE HD1 . c30382_6bvx 1 97 . 1 1 10 10 PHE HD2 H 1 7.201 0.005 . . . . . . A 10 PHE HD2 . c30382_6bvx 1 98 . 1 1 10 10 PHE CA C 13 56.783 0.000 . . . . . . A 10 PHE CA . c30382_6bvx 1 99 . 1 1 10 10 PHE CB C 13 38.843 0.000 . . . . . . A 10 PHE CB . c30382_6bvx 1 100 . 1 1 10 10 PHE N N 15 122.736 0.000 . . . . . . A 10 PHE N . c30382_6bvx 1 101 . 1 1 11 11 PRO HA H 1 4.321 0.010 . . . . . . A 11 PRO HA . c30382_6bvx 1 102 . 1 1 11 11 PRO HB2 H 1 2.373 0.005 . . . . . . A 11 PRO HB2 . c30382_6bvx 1 103 . 1 1 11 11 PRO HB3 H 1 1.916 0.007 . . . . . . A 11 PRO HB3 . c30382_6bvx 1 104 . 1 1 11 11 PRO HG2 H 1 2.117 0.007 . . . . . . A 11 PRO HG2 . c30382_6bvx 1 105 . 1 1 11 11 PRO HG3 H 1 2.011 0.006 . . . . . . A 11 PRO HG3 . c30382_6bvx 1 106 . 1 1 11 11 PRO HD2 H 1 3.966 0.006 . . . . . . A 11 PRO HD2 . c30382_6bvx 1 107 . 1 1 11 11 PRO HD3 H 1 3.966 0.006 . . . . . . A 11 PRO HD3 . c30382_6bvx 1 108 . 1 1 11 11 PRO CA C 13 61.372 0.000 . . . . . . A 11 PRO CA . c30382_6bvx 1 109 . 1 1 11 11 PRO CB C 13 31.701 0.012 . . . . . . A 11 PRO CB . c30382_6bvx 1 110 . 1 1 11 11 PRO CG C 13 27.689 0.012 . . . . . . A 11 PRO CG . c30382_6bvx 1 111 . 1 1 11 11 PRO CD C 13 51.089 0.000 . . . . . . A 11 PRO CD . c30382_6bvx 1 112 . 1 1 12 12 ASP H H 1 7.790 0.004 . . . . . . A 12 ASP H . c30382_6bvx 1 113 . 1 1 12 12 ASP HA H 1 4.469 0.004 . . . . . . A 12 ASP HA . c30382_6bvx 1 114 . 1 1 12 12 ASP HB2 H 1 3.087 0.006 . . . . . . A 12 ASP HB2 . c30382_6bvx 1 115 . 1 1 12 12 ASP HB3 H 1 2.731 0.001 . . . . . . A 12 ASP HB3 . c30382_6bvx 1 116 . 1 1 12 12 ASP CA C 13 53.035 0.000 . . . . . . A 12 ASP CA . c30382_6bvx 1 117 . 1 1 13 13 GLY H H 1 8.357 0.010 . . . . . . A 13 GLY H . c30382_6bvx 1 118 . 1 1 13 13 GLY HA2 H 1 3.678 0.007 . . . . . . A 13 GLY HA2 . c30382_6bvx 1 119 . 1 1 13 13 GLY HA3 H 1 4.258 0.013 . . . . . . A 13 GLY HA3 . c30382_6bvx 1 120 . 1 1 13 13 GLY CA C 13 45.203 0.000 . . . . . . A 13 GLY CA . c30382_6bvx 1 121 . 1 1 13 13 GLY N N 15 108.509 0.000 . . . . . . A 13 GLY N . c30382_6bvx 1 122 . 1 1 14 14 ARG H H 1 7.675 0.003 . . . . . . A 14 ARG H . c30382_6bvx 1 123 . 1 1 14 14 ARG HA H 1 4.349 0.007 . . . . . . A 14 ARG HA . c30382_6bvx 1 124 . 1 1 14 14 ARG HB2 H 1 1.881 0.006 . . . . . . A 14 ARG HB2 . c30382_6bvx 1 125 . 1 1 14 14 ARG HB3 H 1 1.801 0.006 . . . . . . A 14 ARG HB3 . c30382_6bvx 1 126 . 1 1 14 14 ARG HG2 H 1 1.503 0.008 . . . . . . A 14 ARG HG2 . c30382_6bvx 1 127 . 1 1 14 14 ARG HG3 H 1 1.503 0.008 . . . . . . A 14 ARG HG3 . c30382_6bvx 1 128 . 1 1 14 14 ARG HD2 H 1 3.096 0.003 . . . . . . A 14 ARG HD2 . c30382_6bvx 1 129 . 1 1 14 14 ARG HD3 H 1 3.096 0.003 . . . . . . A 14 ARG HD3 . c30382_6bvx 1 130 . 1 1 14 14 ARG HE H 1 7.389 0.002 . . . . . . A 14 ARG HE . c30382_6bvx 1 131 . 1 1 14 14 ARG CA C 13 56.134 0.000 . . . . . . A 14 ARG CA . c30382_6bvx 1 132 . 1 1 14 14 ARG CB C 13 30.890 0.010 . . . . . . A 14 ARG CB . c30382_6bvx 1 133 . 1 1 14 14 ARG CG C 13 27.653 0.000 . . . . . . A 14 ARG CG . c30382_6bvx 1 134 . 1 1 14 14 ARG CD C 13 43.287 0.000 . . . . . . A 14 ARG CD . c30382_6bvx 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30382_6bvx _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H # INAME 2 H # CYANAFORMAT HH 1 9.963 7.086 1 T 2.504e+06 0.00e+00 a 0 HE1.6 HD1.6 2 8.505 7.017 1 T -3.601e+04 0.00e+00 a 0 HE1.3 HD2.3 3 8.947 4.294 1 T 8.237e+05 0.00e+00 a 0 H.2 HA.2 4 8.951 4.410 1 T 5.220e+05 0.00e+00 a 0 H.2 HB.2 5 8.947 1.297 1 T 1.860e+06 0.00e+00 a 0 H.2 QG2.2 6 7.671 4.348 1 T 1.339e+06 0.00e+00 a 0 H.14 HA.14 8 7.676 1.886 1 T 2.492e+06 0.00e+00 a 0 H.14 HB2.14 9 7.680 1.809 1 T 1.471e+06 0.00e+00 a 0 H.14 HB3.14 10 7.676 1.509 1 T 1.179e+06 0.00e+00 a 0 H.14 HG3.14 11 7.388 1.492 1 T 3.164e+05 0.00e+00 a 0 HE.14 HG2.14 12 7.388 1.801 1 T 1.246e+05 0.00e+00 a 0 HE.14 HB3.14 13 7.393 1.878 1 T 4.264e+05 0.00e+00 a 0 HE.14 HB2.14 14 7.388 3.096 1 T 1.257e+06 0.00e+00 a 0 HE.14 HD3.14 15 6.801 2.698 1 T 5.777e+05 0.00e+00 a 0 HE.5 HD2.5 16 6.801 4.130 1 T 2.272e+04 0.00e+00 a 0 HE.5 HA.5 17 6.805 1.038 1 T 1.518e+05 0.00e+00 a 0 HE.5 HB2.5 18 6.805 0.862 1 T 2.071e+05 0.00e+00 a 0 HE.5 HB3.5 19 6.796 0.665 1 T 2.489e+05 0.00e+00 a 0 HE.5 HG3.5 20 7.997 1.557 1 T 1.126e+06 0.00e+00 a 0 H.8 HB.8 21 7.997 0.511 1 T 4.455e+05 0.00e+00 a 0 H.8 QD1.8 22 7.997 4.178 1 T 1.976e+05 0.00e+00 a 0 H.8 HA.8 23 8.358 4.262 1 T 1.991e+06 0.00e+00 a 0 H.13 HA2.13 24 8.353 3.683 1 T 4.165e+06 0.00e+00 a 0 H.13 HA3.13 26 1.783 3.511 1 T 2.078e+06 0.00e+00 a 0 HG3.7 HD2.7 27 1.676 3.511 1 T 4.138e+05 0.00e+00 a 0 HB3.7 HD2.7 29 1.783 3.391 1 T 7.430e+05 0.00e+00 a 0 HG3.7 HD3.7 30 1.680 3.391 1 T 7.067e+05 0.00e+00 a 0 HB3.7 HD3.7 32 1.783 3.983 1 T 6.899e+05 0.00e+00 a 0 HG3.7 HA.7 33 1.685 3.979 1 T 9.302e+05 0.00e+00 a 0 HB3.7 HA.7 34 3.507 3.992 1 T 2.392e+05 0.00e+00 a 0 HD2.7 HA.7 35 3.392 3.987 1 T 2.597e+05 0.00e+00 a 0 HD3.7 HA.7 36 2.375 3.970 1 T 4.637e+05 0.00e+00 a 0 HB2.11 HD3.11 37 2.109 3.962 1 T 2.489e+06 0.00e+00 a 0 HG2.11 HD3.11 38 2.019 3.970 1 T 1.371e+06 0.00e+00 a 0 HG3.11 HD3.11 39 1.925 3.962 1 T 2.182e+06 0.00e+00 a 0 HB3.11 HD3.11 40 2.380 4.326 1 T 1.871e+06 0.00e+00 a 0 HB2.11 HA.11 41 2.118 4.322 1 T 3.790e+05 0.00e+00 a 0 HG2.11 HA.11 42 2.006 4.322 1 T 5.012e+05 0.00e+00 a 0 HG3.11 HA.11 43 1.912 4.326 1 T 1.068e+06 0.00e+00 a 0 HB3.11 HA.11 44 3.971 4.322 1 T 6.602e+05 0.00e+00 a 0 HD3.11 HA.11 45 8.058 0.668 1 T 4.502e+05 0.00e+00 a 0 H.6 HG2.5 46 8.054 0.868 1 T 1.154e+06 0.00e+00 a 0 H.6 HB3.5 47 8.063 1.026 1 T 3.241e+05 0.00e+00 a 0 H.6 HB2.5 48 8.054 4.137 1 T 3.496e+06 0.00e+00 a 0 H.6 HA.5 49 8.063 4.541 1 T 3.702e+06 0.00e+00 a 0 H.6 HA.6 52 8.328 4.722 1 T -4.174e+05 0.00e+00 a 0 H.3 HA.3 53 1.302 4.414 1 T 4.552e+06 0.00e+00 a 0 QG2.2 HB.2 54 1.292 4.298 1 T 2.494e+06 0.00e+00 a 0 QG2.2 HA.2 55 4.288 4.419 1 T 2.040e+06 0.00e+00 a 0 HA.2 HB.2 56 3.150 4.535 1 T 8.827e+05 0.00e+00 a 0 HB2.6 HA.6 57 3.039 4.535 1 T 2.180e+06 0.00e+00 a 0 HB3.6 HA.6 58 8.634 2.854 1 T 4.247e+06 0.00e+00 a 0 H.4 HB2.4 59 8.644 5.167 1 T 1.023e+06 0.00e+00 a 0 H.4 HA.4 60 2.859 5.167 1 T 1.607e+06 0.00e+00 a 0 HB2.4 HA.4 61 1.029 4.136 1 T 4.424e+05 0.00e+00 a 0 HB2.5 HA.5 62 0.867 4.136 1 T 1.082e+06 0.00e+00 a 0 HB3.5 HA.5 63 0.672 4.127 1 T 1.390e+06 0.00e+00 a 0 HG2.5 HA.5 64 1.038 2.701 1 T 1.077e+06 0.00e+00 a 0 HB2.5 HD2.5 65 0.867 2.701 1 T 9.259e+05 0.00e+00 a 0 HB3.5 HD2.5 66 0.667 2.701 1 T 1.174e+06 0.00e+00 a 0 HG3.5 HD2.5 67 8.065 3.165 1 T 7.871e+05 0.00e+00 a 0 H.6 HB2.6 68 8.055 3.044 1 T 3.963e+05 0.00e+00 a 0 H.6 HB3.6 70 7.995 1.911 1 T 4.700e+05 0.00e+00 a 0 H.8 HB2.7 71 7.999 1.675 1 T 5.198e+05 0.00e+00 a 0 H.8 HB3.7 72 8.058 3.386 1 T 8.604e+05 0.00e+00 a 0 H.6 HD3.7 73 8.054 3.513 1 T 1.900e+06 0.00e+00 a 0 H.6 HD2.7 74 7.999 3.990 1 T 7.233e+06 0.00e+00 a 0 H.8 HA.7 78 7.999 1.286 1 T 7.837e+05 0.00e+00 a 0 H.8 HG12.8 79 7.999 0.896 1 T 5.441e+05 0.00e+00 a 0 H.8 HG13.8 80 1.557 4.176 1 T 1.147e+06 0.00e+00 a 0 HB.8 HA.8 81 1.293 4.172 1 T 3.120e+05 0.00e+00 a 0 HG12.8 HA.8 82 0.891 4.176 1 T 6.954e+05 0.00e+00 a 0 HG13.8 HA.8 83 0.678 4.172 1 T 8.902e+05 0.00e+00 a 0 QG2.8 HA.8 84 0.492 4.172 1 T 7.774e+05 0.00e+00 a 0 QD1.8 HA.8 85 1.285 1.553 1 T 2.618e+06 0.00e+00 a 0 HG12.8 HB.8 86 0.891 1.561 1 T 1.531e+06 0.00e+00 a 0 HG13.8 HB.8 87 0.709 1.549 1 T 1.349e+06 0.00e+00 a 0 QG2.8 HB.8 88 0.524 1.557 1 T 1.652e+06 0.00e+00 a 0 QD1.8 HB.8 89 0.899 1.273 1 T 3.974e+06 0.00e+00 a 0 HG13.8 HG12.8 90 0.690 1.289 1 T 6.835e+06 0.00e+00 a 0 QG2.8 HG12.8 91 0.500 1.289 1 T 1.542e+06 0.00e+00 a 0 QD1.8 HG12.8 93 8.257 0.504 1 T 6.232e+05 0.00e+00 a 0 H.9 QD1.8 94 8.257 1.269 1 T 3.461e+05 0.00e+00 a 0 H.9 HG12.8 95 8.253 1.557 1 T 7.750e+05 0.00e+00 a 0 H.9 HB.8 96 8.249 4.177 1 T 7.067e+06 0.00e+00 a 0 H.9 HA.8 97 8.249 5.234 1 T 7.559e+05 0.00e+00 a 0 H.9 HA.9 99 8.253 2.796 1 T 1.134e+06 0.00e+00 a 0 H.9 HB2.9 100 8.249 2.729 1 T 2.032e+06 0.00e+00 a 0 H.9 HB3.9 101 2.800 5.234 1 T 1.757e+06 0.00e+00 a 0 HB2.9 HA.9 102 2.733 5.234 1 T 1.775e+06 0.00e+00 a 0 HB3.9 HA.9 103 8.828 2.810 1 T 1.406e+06 0.00e+00 a 0 H.10 HB2.9 104 8.824 2.735 1 T 4.968e+05 0.00e+00 a 0 H.10 HB3.9 105 8.824 2.976 1 T 3.704e+06 0.00e+00 a 0 H.10 HB3.10 106 8.824 3.299 1 T 7.527e+05 0.00e+00 a 0 H.10 HB2.10 107 8.820 5.232 1 T 7.585e+06 0.00e+00 a 0 H.10 HA.9 108 8.824 4.751 1 T 8.425e+05 0.00e+00 a 0 H.10 HA.10 109 8.639 2.995 1 T 1.199e+06 0.00e+00 a 0 H.4 HB2.3 110 8.631 2.834 1 T 2.576e+06 0.00e+00 a 0 H.4 HB3.3 111 3.295 4.759 1 T 1.958e+06 0.00e+00 a 0 HB2.10 HA.10 112 2.972 4.755 1 T 9.022e+05 0.00e+00 a 0 HB3.10 HA.10 113 3.511 4.534 1 T 1.380e+06 0.00e+00 a 0 HD2.7 HA.6 114 3.385 4.534 1 T 2.657e+06 0.00e+00 a 0 HD3.7 HA.6 115 3.973 4.763 1 T 8.518e+06 0.00e+00 a 0 HD2.11 HA.10 116 7.787 4.327 1 T 8.173e+05 0.00e+00 a 0 H.12 HA.11 117 7.791 3.957 1 T 8.066e+05 0.00e+00 a 0 H.12 HD3.11 118 7.791 1.921 1 T 8.104e+05 0.00e+00 a 0 H.12 HB3.11 119 7.795 3.093 1 T 5.636e+05 0.00e+00 a 0 H.12 HB2.12 120 7.787 2.730 1 T 2.015e+06 0.00e+00 a 0 H.12 HB3.12 121 7.791 4.469 1 T 1.595e+06 0.00e+00 a 0 H.12 HA.12 122 7.791 3.298 1 T 1.431e+06 0.00e+00 a 0 H.12 HB2.10 123 7.795 2.963 1 T 1.019e+06 0.00e+00 a 0 H.12 HB3.10 124 8.821 7.207 1 T 4.149e+05 0.00e+00 a 0 H.10 QD.10 125 7.200 3.293 1 T 1.514e+06 0.00e+00 a 0 QD.10 HB2.10 126 7.196 2.982 1 T 2.314e+06 0.00e+00 a 0 QD.10 HB3.10 127 7.196 4.765 1 T 7.351e+05 0.00e+00 a 0 QD.10 HA.10 128 7.089 3.167 1 T 1.472e+06 0.00e+00 a 0 HD1.6 HB2.6 129 7.081 3.045 1 T 1.302e+06 0.00e+00 a 0 HD1.6 HB3.6 130 7.531 3.159 1 T 1.480e+06 0.00e+00 a 0 HE3.6 HB2.6 131 7.531 3.041 1 T 5.916e+05 0.00e+00 a 0 HE3.6 HB3.6 132 2.732 4.469 1 T 1.633e+06 0.00e+00 a 0 HB3.12 HA.12 133 3.087 4.477 1 T 1.126e+06 0.00e+00 a 0 HB2.12 HA.12 134 8.350 4.469 1 T 1.314e+06 0.00e+00 a 0 H.13 HA.12 135 8.354 3.096 1 T 3.271e+05 0.00e+00 a 0 H.13 HB2.12 136 8.350 2.729 1 T 3.350e+05 0.00e+00 a 0 H.13 HB3.12 137 3.671 4.268 1 T 6.950e+06 0.00e+00 a 0 HA3.13 HA2.13 138 7.673 3.672 1 T 6.051e+05 0.00e+00 a 0 H.14 HA3.13 139 7.677 4.260 1 T 8.943e+05 0.00e+00 a 0 H.14 HA2.13 140 1.879 4.354 1 T 1.089e+06 0.00e+00 a 0 HB2.14 HA.14 141 1.508 4.358 1 T 1.014e+06 0.00e+00 a 0 HG2.14 HA.14 142 1.891 3.096 1 T 6.216e+05 0.00e+00 a 0 HB2.14 HD3.14 143 1.788 3.096 1 T 7.731e+05 0.00e+00 a 0 HB3.14 HD2.14 144 1.504 3.096 1 T 4.354e+06 0.00e+00 a 0 HG2.14 HD3.14 145 1.800 4.343 1 T 1.425e+06 0.00e+00 a 0 HB3.14 HA.14 146 8.643 4.729 1 T 1.095e+06 0.00e+00 a 0 H.4 HA.3 147 7.200 3.976 1 T 1.187e+06 0.00e+00 a 0 QD.10 HD3.11 148 8.355 5.693 1 T 1.515e+06 0.00e+00 a 0 H.1 HA.1 149 8.362 2.916 1 T 2.415e+06 0.00e+00 a 0 H.1 HB2.1 150 8.366 2.798 1 T 6.418e+05 0.00e+00 a 0 H.1 HB3.1 151 2.927 5.685 1 T 1.694e+06 0.00e+00 a 0 HB2.1 HA.1 152 2.800 5.689 1 T 1.887e+06 0.00e+00 a 0 HB3.1 HA.1 153 8.939 2.920 1 T 3.685e+05 0.00e+00 a 0 H.2 HB2.1 154 8.947 2.798 1 T 1.523e+06 0.00e+00 a 0 H.2 HB3.1 155 8.947 5.685 1 T 6.431e+06 0.00e+00 a 0 H.2 HA.1 156 8.825 5.685 1 T 1.024e+06 0.00e+00 a 0 H.10 HA.1 157 8.367 4.348 1 T 7.829e+06 0.00e+00 a 0 H.1 HA.14 159 7.144 5.179 1 T 1.199e+06 0.00e+00 a 0 QD.4 HA.4 160 7.148 2.864 1 T 4.756e+06 0.00e+00 a 0 QD.4 HB2.4 161 7.235 2.856 1 T 8.285e+05 0.00e+00 a 0 QE.4 HB2.4 162 7.231 7.147 1 T 2.535e+07 0.00e+00 a 0 - QD.4 163 9.965 7.387 1 T 5.017e+05 0.00e+00 a 0 HE1.6 HZ2.6 164 7.539 7.055 1 T 6.512e+06 0.00e+00 a 0 HE3.6 HZ3.6 165 8.943 8.006 1 T 1.621e+06 0.00e+00 a 0 H.2 H.8 166 8.351 7.795 1 T 1.510e+06 0.00e+00 a 0 H.13 H.12 167 8.347 7.669 1 T 1.751e+06 0.00e+00 a 0 H.1 H.14 168 5.681 5.234 1 T 4.363e+06 0.00e+00 a 0 HA.1 HA.9 169 5.227 5.683 1 T 5.402e+06 0.00e+00 a 0 HA.9 HA.1 170 5.669 2.924 1 T 1.805e+06 0.00e+00 a 0 HA.1 HB2.1 171 5.673 2.806 1 T 1.930e+06 0.00e+00 a 0 HA.1 HB3.1 172 2.977 3.299 1 T 1.833e+07 0.00e+00 a 0 HB3.10 HB2.10 173 2.732 3.078 1 T -2.964e+06 0.00e+00 a 0 HB3.12 HB2.12 174 2.128 2.372 1 T 2.667e+06 0.00e+00 a 0 HG2.11 HB2.11 175 2.010 2.372 1 T 2.438e+06 0.00e+00 a 0 HG3.11 HB2.11 176 1.912 2.368 1 T 7.674e+06 0.00e+00 a 0 HB3.11 HB2.11 177 5.173 4.285 1 T 6.219e+05 0.00e+00 a 0 HA.4 - 178 4.273 5.173 1 T 7.401e+05 0.00e+00 a 0 - HA.4 179 5.173 2.885 1 T 1.455e+06 0.00e+00 a 0 HA.4 HB2.4 180 8.363 1.512 1 T 4.465e+05 0.00e+00 a 0 H.1 HG3.14 181 8.367 1.793 1 T 7.549e+05 0.00e+00 a 0 H.1 HB3.14 182 8.371 1.870 1 T 4.169e+05 0.00e+00 a 0 H.1 HB2.14 184 7.531 1.054 1 T 2.502e+05 0.00e+00 a 0 HE3.6 HB2.5 185 7.523 0.873 1 T 2.096e+05 0.00e+00 a 0 HE3.6 HB3.5 186 8.250 0.897 1 T 2.036e+05 0.00e+00 a 0 H.9 HG13.8 188 7.201 1.886 1 T 6.487e+05 0.00e+00 a 0 QD.10 HB2.14 189 7.209 1.805 1 T 4.141e+05 0.00e+00 a 0 QD.10 HB3.14 190 4.174 1.560 1 T 1.433e+06 0.00e+00 a 0 HA.8 HB.8 191 4.178 1.286 1 T 4.943e+05 0.00e+00 a 0 HA.8 HG12.8 192 4.182 0.896 1 T 3.906e+05 0.00e+00 a 0 HA.8 HG13.8 193 4.182 0.687 1 T 3.124e+05 0.00e+00 a 0 HA.8 QG2.8 194 4.182 0.506 1 T 8.090e+05 0.00e+00 a 0 HA.8 QD1.8 196 8.828 3.989 1 T 3.253e+05 0.00e+00 a 0 - - 197 8.327 4.295 1 T 5.948e+06 0.00e+00 a 0 H.3 HA.2 198 8.330 4.413 1 T 3.976e+06 0.00e+00 a 0 H.3 HB.2 199 7.530 4.537 1 T 9.279e+05 0.00e+00 a 0 HE3.6 HA.6 200 7.085 4.537 1 T 8.215e+05 0.00e+00 a 0 HD1.6 HA.6 201 8.948 5.238 1 T 5.720e+05 0.00e+00 a 0 H.2 HA.9 202 7.676 2.979 1 T 7.076e+05 0.00e+00 a 0 - - 203 7.530 2.753 1 T 3.277e+05 0.00e+00 a 0 HE3.6 QN.5 204 8.332 1.295 1 T 5.761e+05 0.00e+00 a 0 H.3 QG2.2 205 8.950 0.502 1 T 1.968e+05 0.00e+00 a 0 H.2 QD1.8 206 8.950 1.557 1 T 1.466e+05 0.00e+00 a 0 H.2 HB.8 207 3.298 3.963 1 T 3.780e+06 0.00e+00 a 0 HB2.10 HD2.11 208 3.509 4.144 1 T 6.167e+05 0.00e+00 a 0 HD2.7 HA.5 209 3.386 4.144 1 T 2.379e+05 0.00e+00 a 0 HD3.7 HA.5 210 1.919 3.989 1 T 2.558e+06 0.00e+00 a 0 HB2.7 HA.7 211 1.885 3.989 1 T 1.323e+06 0.00e+00 a 0 HG2.7 HA.7 212 1.917 3.513 1 T 9.533e+05 0.00e+00 a 0 HB2.7 HD2.7 213 1.887 3.513 1 T 2.062e+06 0.00e+00 a 0 HG2.7 HD2.7 214 1.921 3.389 1 T 1.140e+06 0.00e+00 a 0 HB2.7 HD3.7 215 1.890 3.389 1 T 1.520e+06 0.00e+00 a 0 HG2.7 HD3.7 216 7.198 1.512 1 T 3.723e+05 0.00e+00 a 0 QD.10 HG3.14 219 3.393 3.516 1 T 2.373e+07 0.00e+00 a 0 HD3.7 HD2.7 220 7.149 2.758 1 T 1.331e+06 0.00e+00 a 0 QD.4 QN.5 221 8.060 2.754 1 T 1.029e+06 0.00e+00 a 0 H.6 QN.5 222 5.171 2.754 1 T 3.752e+06 0.00e+00 a 0 HA.4 QN.5 223 2.746 5.165 1 T 8.056e+06 0.00e+00 a 0 QN.5 HA.4 224 1.033 2.750 1 T 2.067e+06 0.00e+00 a 0 HB2.5 QN.5 225 0.875 2.742 1 T 1.491e+06 0.00e+00 a 0 HB3.5 QN.5 226 0.663 2.739 1 T 1.598e+06 0.00e+00 a 0 HG3.5 QN.5 227 2.851 4.718 1 T 2.138e+05 0.00e+00 a 0 HB3.3 HA.3 228 2.993 4.718 1 T 7.596e+05 0.00e+00 a 0 HB2.3 HA.3 229 8.329 2.996 1 T 6.758e+05 0.00e+00 a 0 H.3 HB2.3 230 8.329 2.851 1 T 1.600e+06 0.00e+00 a 0 H.3 HB3.3 231 2.848 2.996 1 T 3.366e+07 0.00e+00 a 0 HB3.3 HB2.3 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 2 . . H 1 H . . 11.9705 ppm . . . 4.76 . . c30382_6bvx 1 2 . . C 13 C . . 100.00 ppm . . . 4.76 . . c30382_6bvx 1 2 . . N 15 HN . . 35.00 ppm . . . 4.76 . . c30382_6bvx 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 c30382_6bvx _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 c30382_6bvx _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 . . . c30382_6bvx 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 . . . . c30382_6bvx 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 CYS C C 0.040 3.388 -1.583 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 1 . 2 . 1 1 1 CYS CA C 1.357 3.895 -1.004 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 1 . 3 . 1 1 1 CYS CB C 1.138 5.241 -0.310 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 1 . 4 . 1 1 1 CYS H1 H 2.082 4.120 -2.980 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 1 . 5 . 1 1 1 CYS HA H 1.717 3.181 -0.280 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 1 . 6 . 1 1 1 CYS HB3 H 0.212 5.204 0.246 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 7 . 1 1 1 CYS N N 2.368 4.023 -2.046 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 1 . 8 . 1 1 1 CYS O O -0.434 3.884 -2.607 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 1 . 9 . 1 1 1 CYS SG S 2.464 5.704 0.849 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 1 . 10 . 1 1 2 THR C C -2.991 2.419 -0.607 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 1 . 11 . 1 1 2 THR CA C -1.813 1.823 -1.370 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 1 . 12 . 1 1 2 THR CB C -1.825 0.293 -1.197 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 1 . 13 . 1 1 2 THR CG2 C -0.757 -0.358 -2.062 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 1 . 14 . 1 1 2 THR H H -0.125 2.045 -0.111 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 1 . 15 . 1 1 2 THR HA H -1.926 2.046 -2.420 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 1 . 16 . 1 1 2 THR HB H -2.792 -0.081 -1.502 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 1 . 17 . 1 1 2 THR HG1 H -1.910 -0.944 0.337 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 1 . 18 . 1 1 2 THR HG21 H -1.148 -1.270 -2.491 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 1 . 19 . 1 1 2 THR HG22 H 0.107 -0.587 -1.456 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 1 . 20 . 1 1 2 THR HG23 H -0.474 0.317 -2.855 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 1 . 21 . 1 1 2 THR N N -0.550 2.398 -0.921 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 1 . 22 . 1 1 2 THR O O -2.835 2.901 0.516 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 1 . 23 . 1 1 2 THR OG1 O -1.605 -0.047 0.177 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 1 . 24 . 1 1 3 HIS C C -6.591 2.075 -0.957 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 1 . 25 . 1 1 3 HIS CA C -5.372 2.920 -0.599 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 1 . 26 . 1 1 3 HIS CB C -5.597 4.368 -1.036 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 1 . 27 . 1 1 3 HIS CD2 C -5.217 6.141 0.819 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 1 . 28 . 1 1 3 HIS CE1 C -3.102 6.564 0.429 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 1 . 29 . 1 1 3 HIS CG C -4.832 5.365 -0.221 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 1 . 30 . 1 1 3 HIS H H -4.227 1.987 -2.116 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 1 . 31 . 1 1 3 HIS HA H -5.232 2.893 0.470 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 1 . 32 . 1 1 3 HIS HB3 H -6.647 4.605 -0.950 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 33 . 1 1 3 HIS HD1 H -2.935 5.251 -1.130 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 1 . 34 . 1 1 3 HIS HD2 H -6.202 6.177 1.263 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 1 . 35 . 1 1 3 HIS HE1 H -2.108 6.985 0.495 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 1 . 36 . 1 1 3 HIS N N -4.167 2.383 -1.222 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 1 . 37 . 1 1 3 HIS ND1 N -3.502 5.654 -0.440 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 1 . 38 . 1 1 3 HIS NE2 N -4.124 6.879 1.203 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 1 . 39 . 1 1 3 HIS O O -6.938 1.930 -2.130 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 1 . 40 . 1 1 4 . C C -8.323 -0.603 0.669 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 1 . 41 . 1 1 4 . CA C -8.417 0.684 -0.145 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 1 . 42 . 1 1 4 . CB C -9.682 1.451 0.237 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 1 . 43 . 1 1 4 . CD1 C -9.976 2.997 -1.719 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 1 . 44 . 1 1 4 . CD2 C -9.594 3.953 0.433 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 1 . 45 . 1 1 4 . CE1 C -10.041 4.262 -2.271 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 1 . 46 . 1 1 4 . CE2 C -9.655 5.220 -0.116 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 1 . 47 . 1 1 4 . CG C -9.751 2.829 -0.361 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 1 . 48 . 1 1 4 . CZ C -9.881 5.373 -1.470 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 1 . 49 . 1 1 4 . H H -6.912 1.667 0.975 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 1 . 50 . 1 1 4 . HA H -8.462 0.430 -1.194 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 1 . 51 . 1 1 4 . HB2 H -9.721 1.556 1.311 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 1 . 52 . 1 1 4 . HB3 H -10.546 0.900 -0.099 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 53 . 1 1 4 . HD1 H -10.101 2.127 -2.346 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 1 . 54 . 1 1 4 . HD2 H -9.418 3.834 1.492 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 1 . 55 . 1 1 4 . HE1 H -10.217 4.380 -3.331 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 1 . 56 . 1 1 4 . HE2 H -9.531 6.089 0.513 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 1 . 57 . 1 1 4 . HZ H -9.931 6.364 -1.902 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 1 . 58 . 1 1 4 . N N -7.237 1.515 0.061 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 1 . 59 . 1 1 4 . O O -9.019 -0.768 1.673 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 1 . 60 . 1 1 5 MMO C C -5.862 -2.903 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 1 . 61 . 1 1 5 MMO CA C -7.277 -2.786 0.919 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 1 . 62 . 1 1 5 MMO CB C -7.557 -3.951 -0.033 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 1 . 63 . 1 1 5 MMO CD C -9.276 -5.186 -1.389 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 1 . 64 . 1 1 5 MMO CG C -8.925 -3.879 -0.694 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 1 . 65 . 1 1 5 MMO CN C -6.674 -1.230 -0.978 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 1 . 66 . 1 1 5 MMO CZ C -11.212 -6.209 -2.506 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 1 . 67 . 1 1 5 MMO HA H -7.978 -2.825 1.738 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 1 . 68 . 1 1 5 MMO HC1 H -7.344 -1.033 -1.814 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 1 . 69 . 1 1 5 MMO HC2 H -6.047 -2.092 -1.212 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 1 . 70 . 1 1 5 MMO HC3 H -6.042 -0.360 -0.804 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 1 . 71 . 1 1 5 MMO HCB1 H -6.807 -3.954 -0.810 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 1 . 72 . 1 1 5 MMO HCB2 H -7.497 -4.875 0.520 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 1 . 73 . 1 1 5 MMO HCD1 H -8.549 -5.373 -2.164 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 1 . 74 . 1 1 5 MMO HCD2 H -9.241 -5.985 -0.663 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 1 . 75 . 1 1 5 MMO HCG1 H -9.669 -3.675 0.061 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 1 . 76 . 1 1 5 MMO HCG2 H -8.920 -3.083 -1.424 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 1 . 77 . 1 1 5 MMO HH11 H -12.883 -5.206 -3.040 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 1 . 78 . 1 1 5 MMO HH12 H -12.878 -6.894 -3.423 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 1 . 79 . 1 1 5 MMO HH21 H -9.694 -7.481 -2.100 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 1 . 80 . 1 1 5 MMO HH22 H -11.065 -8.189 -2.889 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 1 . 81 . 1 1 5 MMO N N -7.460 -1.514 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 1 . 82 . 1 1 5 MMO NE N -10.607 -5.146 -1.988 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 1 . 83 . 1 1 5 MMO NH1 N -12.424 -6.095 -3.033 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 1 . 84 . 1 1 5 MMO NH2 N -10.606 -7.389 -2.498 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 1 . 85 . 1 1 5 MMO O O -4.890 -2.976 0.723 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 1 . 86 . 1 1 6 TRP C C -3.526 -1.899 3.017 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 1 . 87 . 1 1 6 TRP CA C -4.455 -3.023 3.458 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 1 . 88 . 1 1 6 TRP CB C -3.815 -4.378 3.154 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 1 . 89 . 1 1 6 TRP CD1 C -4.003 -5.762 5.303 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 1 . 90 . 1 1 6 TRP CD2 C -5.305 -6.482 3.628 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 1 . 91 . 1 1 6 TRP CE2 C -5.500 -7.320 4.744 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 1 . 92 . 1 1 6 TRP CE3 C -6.019 -6.741 2.458 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 1 . 93 . 1 1 6 TRP CG C -4.344 -5.491 4.010 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 1 . 94 . 1 1 6 TRP CH2 C -7.066 -8.629 3.557 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 1 . 95 . 1 1 6 TRP CZ2 C -6.380 -8.399 4.717 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 1 . 96 . 1 1 6 TRP CZ3 C -6.893 -7.812 2.433 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 1 . 97 . 1 1 6 TRP H H -6.562 -2.854 3.347 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 1 . 98 . 1 1 6 TRP HA H -4.616 -2.944 4.523 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 1 . 99 . 1 1 6 TRP HB3 H -2.749 -4.311 3.317 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 100 . 1 1 6 TRP HD1 H -3.292 -5.187 5.878 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 1 . 101 . 1 1 6 TRP HE1 H -4.624 -7.251 6.648 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 1 . 102 . 1 1 6 TRP HE3 H -5.899 -6.121 1.579 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 1 . 103 . 1 1 6 TRP HH2 H -7.760 -9.455 3.491 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 1 . 104 . 1 1 6 TRP HZ2 H -6.527 -9.039 5.574 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 1 . 105 . 1 1 6 TRP HZ3 H -7.453 -8.029 1.535 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 1 . 106 . 1 1 6 TRP N N -5.752 -2.917 2.800 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 1 . 107 . 1 1 6 TRP NE1 N -4.695 -6.860 5.751 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 1 . 108 . 1 1 6 TRP O O -2.536 -2.116 2.318 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 1 . 109 . 1 1 7 PRO C C -1.702 0.532 3.793 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 1 . 110 . 1 1 7 PRO CA C -3.055 0.519 3.092 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 1 . 111 . 1 1 7 PRO CB C -3.923 1.681 3.580 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 1 . 112 . 1 1 7 PRO CD C -5.016 -0.331 4.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 1 . 113 . 1 1 7 PRO CG C -4.764 1.097 4.662 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 1 . 114 . 1 1 7 PRO HA H -2.906 0.603 2.024 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 1 . 115 . 1 1 7 PRO HB3 H -4.530 2.051 2.765 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 116 . 1 1 7 PRO HD3 H -5.930 -0.409 3.697 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 1 . 117 . 1 1 7 PRO HG3 H -5.695 1.638 4.735 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 1 . 118 . 1 1 7 PRO N N -3.850 -0.665 3.432 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 1 . 119 . 1 1 7 PRO O O -1.632 0.525 5.023 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 1 . 120 . 1 1 8 ILE C C 1.619 1.516 2.773 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 1 . 121 . 1 1 8 ILE CA C 0.718 0.568 3.556 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 1 . 122 . 1 1 8 ILE CB C 1.344 -0.839 3.548 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 1 . 123 . 1 1 8 ILE CD1 C 2.311 -2.471 1.852 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 1 . 124 . 1 1 8 ILE CG1 C 1.220 -1.471 2.160 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 1 . 125 . 1 1 8 ILE CG2 C 0.683 -1.720 4.598 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 1 . 126 . 1 1 8 ILE H H -0.754 0.556 2.035 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 1 . 127 . 1 1 8 ILE HA H 0.657 0.908 4.578 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 1 . 128 . 1 1 8 ILE HB H 2.389 -0.744 3.800 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 1 . 129 . 1 1 8 ILE HD11 H 1.866 -3.415 1.571 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 1 . 130 . 1 1 8 ILE HD12 H 2.918 -2.103 1.037 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 1 . 131 . 1 1 8 ILE HD13 H 2.930 -2.610 2.725 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 1 . 132 . 1 1 8 ILE HG13 H 1.261 -0.691 1.413 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 1 . 133 . 1 1 8 ILE HG21 H -0.181 -2.207 4.167 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 1 . 134 . 1 1 8 ILE HG22 H 1.385 -2.467 4.936 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 1 . 135 . 1 1 8 ILE HG23 H 0.374 -1.111 5.434 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 1 . 136 . 1 1 8 ILE N N -0.632 0.551 3.007 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 1 . 137 . 1 1 8 ILE O O 1.296 1.913 1.652 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 1 . 138 . 1 1 9 CYS C C 5.090 2.149 2.666 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 1 . 139 . 1 1 9 CYS CA C 3.700 2.777 2.726 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 1 . 140 . 1 1 9 CYS CB C 3.762 4.107 3.479 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 1 . 141 . 1 1 9 CYS H H 2.955 1.525 4.261 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 1 . 142 . 1 1 9 CYS HA H 3.358 2.958 1.719 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 1 . 143 . 1 1 9 CYS HB3 H 4.756 4.520 3.385 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 144 . 1 1 9 CYS N N 2.750 1.874 3.367 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 1 . 145 . 1 1 9 CYS O O 5.535 1.507 3.619 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 1 . 146 . 1 1 9 CYS SG S 2.583 5.358 2.875 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 1 . 147 . 1 1 10 PHE C C 8.161 2.898 1.413 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 1 . 148 . 1 1 10 PHE CA C 7.111 1.794 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 1 . 149 . 1 1 10 PHE CB C 7.203 1.056 0.020 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 1 . 150 . 1 1 10 PHE CD1 C 7.351 -1.241 1.020 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 1 . 151 . 1 1 10 PHE CD2 C 5.798 -0.876 -0.751 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 1 . 152 . 1 1 10 PHE CE1 C 6.959 -2.564 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 1 . 153 . 1 1 10 PHE CE2 C 5.403 -2.197 -0.681 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 1 . 154 . 1 1 10 PHE CG C 6.775 -0.382 0.098 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 1 . 155 . 1 1 10 PHE CZ C 5.986 -3.043 0.244 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 1 . 156 . 1 1 10 PHE H H 5.364 2.861 0.819 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 1 . 157 . 1 1 10 PHE HA H 7.297 1.094 2.157 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 1 . 158 . 1 1 10 PHE HB3 H 8.224 1.082 -0.328 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 159 . 1 1 10 PHE HD1 H 8.114 -0.866 1.690 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 1 . 160 . 1 1 10 PHE HD2 H 5.344 -0.217 -1.476 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 1 . 161 . 1 1 10 PHE HE1 H 7.418 -3.221 1.821 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 1 . 162 . 1 1 10 PHE HE2 H 4.641 -2.572 -1.349 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 1 . 163 . 1 1 10 PHE HZ H 5.678 -4.076 0.301 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 1 . 164 . 1 1 10 PHE N N 5.773 2.339 1.542 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 1 . 165 . 1 1 10 PHE O O 7.869 4.081 1.238 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 1 . 166 . 1 1 11 PRO C C 10.898 4.049 0.399 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 1 . 167 . 1 1 11 PRO CA C 10.540 3.445 1.753 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 1 . 168 . 1 1 11 PRO CB C 11.691 2.579 2.271 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 1 . 169 . 1 1 11 PRO CD C 9.845 1.112 1.886 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 1 . 170 . 1 1 11 PRO CG C 11.345 1.195 1.845 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 1 . 171 . 1 1 11 PRO HA H 10.340 4.239 2.457 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 1 . 172 . 1 1 11 PRO HB3 H 11.749 2.658 3.347 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 173 . 1 1 11 PRO HD3 H 9.511 0.757 2.850 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 1 . 174 . 1 1 11 PRO HG3 H 11.777 0.482 2.531 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 1 . 175 . 1 1 11 PRO N N 9.419 2.505 1.667 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 1 . 176 . 1 1 11 PRO O O 11.590 5.064 0.322 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 1 . 177 . 1 1 12 ASP C C 9.858 5.137 -2.334 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 1 . 178 . 1 1 12 ASP CA C 10.686 3.895 -2.021 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 1 . 179 . 1 1 12 ASP CB C 10.386 2.794 -3.040 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 1 . 180 . 1 1 12 ASP CG C 11.350 1.629 -2.938 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 1 . 181 . 1 1 12 ASP H H 9.873 2.614 -0.544 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 1 . 182 . 1 1 12 ASP HA H 11.733 4.152 -2.082 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 1 . 183 . 1 1 12 ASP HB3 H 10.454 3.208 -4.036 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 184 . 1 1 12 ASP N N 10.420 3.418 -0.669 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 1 . 185 . 1 1 12 ASP O O 10.355 6.094 -2.925 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 1 . 186 . 1 1 12 ASP OD1 O 11.325 0.758 -3.832 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 1 . 187 . 1 1 12 ASP OD2 O 12.128 1.589 -1.962 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 1 . 188 . 1 1 13 GLY C C 6.413 5.831 -2.846 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 1 . 189 . 1 1 13 GLY CA C 7.713 6.242 -2.181 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 1 . 190 . 1 1 13 GLY H H 8.249 4.320 -1.467 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 1 . 191 . 1 1 13 GLY HA2 H 7.487 6.721 -1.241 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 1 . 192 . 1 1 13 GLY HA3 H 8.223 6.946 -2.821 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 1 . 193 . 1 1 13 GLY N N 8.590 5.113 -1.934 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 1 . 194 . 1 1 13 GLY O O 5.911 6.529 -3.726 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 1 . 195 . 1 1 14 ARG C C 3.663 3.753 -1.883 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 1 . 196 . 1 1 14 ARG CA C 4.621 4.191 -2.987 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 1 . 197 . 1 1 14 ARG CB C 4.899 3.017 -3.928 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 1 . 198 . 1 1 14 ARG CD C 6.666 3.711 -5.577 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 1 . 199 . 1 1 14 ARG CG C 5.186 3.438 -5.360 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 1 . 200 . 1 1 14 ARG CZ C 7.026 3.460 -7.996 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 1 . 201 . 1 1 14 ARG H H 6.316 4.181 -1.719 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 1 . 202 . 1 1 14 ARG HA H 4.163 4.991 -3.550 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 1 . 203 . 1 1 14 ARG HB3 H 4.039 2.365 -3.934 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 1 . 204 . 1 1 14 ARG HD3 H 7.211 2.790 -5.438 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 1 . 205 . 1 1 14 ARG HE H 7.062 5.196 -7.013 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 1 . 206 . 1 1 14 ARG HG3 H 4.627 4.337 -5.580 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 1 . 207 . 1 1 14 ARG HH11 H 6.673 1.736 -7.004 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 1 . 208 . 1 1 14 ARG HH12 H 6.930 1.573 -8.710 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 1 . 209 . 1 1 14 ARG HH21 H 7.400 4.994 -9.258 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 1 . 210 . 1 1 14 ARG HH22 H 7.343 3.425 -9.991 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 1 . 211 . 1 1 14 ARG N N 5.869 4.694 -2.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 1 . 212 . 1 1 14 ARG NE N 6.938 4.228 -6.914 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 1 . 213 . 1 1 14 ARG NH1 N 6.864 2.149 -7.895 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 1 . 214 . 1 1 14 ARG NH2 N 7.278 4.004 -9.178 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 1 . 215 . 1 1 14 ARG O O 4.070 3.124 -0.907 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 2 . 216 . 1 1 1 CYS C C 0.168 3.887 -1.105 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 2 . 217 . 1 1 1 CYS CA C 1.437 4.299 -0.367 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 2 . 218 . 1 1 1 CYS CB C 1.243 5.673 0.279 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 2 . 219 . 1 1 1 CYS H1 H 2.791 5.150 -1.756 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 2 . 220 . 1 1 1 CYS HA H 1.642 3.575 0.406 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 2 . 221 . 1 1 1 CYS HB3 H 0.276 5.703 0.758 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 222 . 1 1 1 CYS N N 2.581 4.323 -1.272 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 2 . 223 . 1 1 1 CYS O O -0.311 4.603 -1.985 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 2 . 224 . 1 1 1 CYS SG S 2.497 6.090 1.534 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 2 . 225 . 1 1 2 THR C C -2.832 2.709 -0.630 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 2 . 226 . 1 1 2 THR CA C -1.589 2.224 -1.367 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 2 . 227 . 1 1 2 THR CB C -1.596 0.684 -1.409 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 2 . 228 . 1 1 2 THR CG2 C -1.053 0.175 -2.736 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 2 . 229 . 1 1 2 THR H H 0.053 2.206 -0.031 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 2 . 230 . 1 1 2 THR HA H -1.617 2.590 -2.382 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 2 . 231 . 1 1 2 THR HB H -2.617 0.342 -1.300 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 2 . 232 . 1 1 2 THR HG1 H 0.121 0.267 -0.535 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 2 . 233 . 1 1 2 THR HG21 H -0.150 0.712 -2.982 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 2 . 234 . 1 1 2 THR HG22 H -1.789 0.332 -3.509 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 2 . 235 . 1 1 2 THR HG23 H -0.834 -0.880 -2.653 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 2 . 236 . 1 1 2 THR N N -0.375 2.732 -0.739 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 2 . 237 . 1 1 2 THR O O -2.734 3.370 0.404 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 2 . 238 . 1 1 2 THR OG1 O -0.810 0.160 -0.332 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 2 . 239 . 1 1 3 HIS C C -6.410 1.896 -1.058 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 2 . 240 . 1 1 3 HIS CA C -5.264 2.774 -0.561 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 2 . 241 . 1 1 3 HIS CB C -5.560 4.242 -0.868 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 2 . 242 . 1 1 3 HIS CD2 C -6.755 4.496 1.421 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 2 . 243 . 1 1 3 HIS CE1 C -7.354 6.596 1.237 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 2 . 244 . 1 1 3 HIS CG C -6.316 4.940 0.220 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 2 . 245 . 1 1 3 HIS H H -4.013 1.843 -1.994 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 2 . 246 . 1 1 3 HIS HA H -5.172 2.649 0.509 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 2 . 247 . 1 1 3 HIS HB3 H -6.147 4.302 -1.774 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 248 . 1 1 3 HIS HD1 H -6.539 6.860 -0.619 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 2 . 249 . 1 1 3 HIS HD2 H -6.624 3.500 1.823 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 2 . 250 . 1 1 3 HIS HE1 H -7.776 7.568 1.452 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 2 . 251 . 1 1 3 HIS N N -4.000 2.373 -1.168 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 2 . 252 . 1 1 3 HIS ND1 N -6.710 6.261 0.136 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 2 . 253 . 1 1 3 HIS NE2 N -7.395 5.543 2.035 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 2 . 254 . 1 1 3 HIS O O -6.509 1.608 -2.251 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 2 . 255 . 1 1 4 . C C -8.522 -0.548 0.475 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 2 . 256 . 1 1 4 . CA C -8.408 0.633 -0.485 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 2 . 257 . 1 1 4 . CB C -9.702 1.451 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 2 . 258 . 1 1 4 . CD1 C -11.268 1.635 -2.414 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 2 . 259 . 1 1 4 . CD2 C -9.252 2.907 -2.456 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 2 . 260 . 1 1 4 . CE1 C -11.620 2.148 -3.650 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 2 . 261 . 1 1 4 . CE2 C -9.599 3.421 -3.690 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 2 . 262 . 1 1 4 . CG C -10.081 2.009 -1.803 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 2 . 263 . 1 1 4 . CZ C -10.784 3.042 -4.288 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 2 . 264 . 1 1 4 . H H -7.139 1.742 0.796 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 2 . 265 . 1 1 4 . HA H -8.249 0.255 -1.484 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 2 . 266 . 1 1 4 . HB2 H -9.584 2.278 0.220 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 2 . 267 . 1 1 4 . HB3 H -10.511 0.820 -0.123 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 268 . 1 1 4 . HD1 H -11.924 0.935 -1.915 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 2 . 269 . 1 1 4 . HD2 H -8.324 3.206 -1.989 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 2 . 270 . 1 1 4 . HE1 H -12.549 1.848 -4.113 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 2 . 271 . 1 1 4 . HE2 H -8.945 4.121 -4.187 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 2 . 272 . 1 1 4 . HZ H -11.057 3.441 -5.253 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 2 . 273 . 1 1 4 . N N -7.271 1.476 -0.140 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 2 . 274 . 1 1 4 . O O -9.409 -0.584 1.327 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 2 . 275 . 1 1 5 MMO C C -6.241 -2.903 1.817 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 2 . 276 . 1 1 5 MMO CA C -7.615 -2.690 1.186 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 2 . 277 . 1 1 5 MMO CB C -8.015 -3.929 0.381 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 2 . 278 . 1 1 5 MMO CD C -9.860 -5.291 -0.647 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 2 . 279 . 1 1 5 MMO CG C -9.498 -3.992 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 2 . 280 . 1 1 5 MMO CN C -6.593 -1.380 -0.715 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 2 . 281 . 1 1 5 MMO CZ C -11.879 -6.326 -1.591 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 2 . 282 . 1 1 5 MMO HA H -8.338 -2.534 1.971 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 2 . 283 . 1 1 5 MMO HC1 H -7.075 -1.276 -1.686 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 2 . 284 . 1 1 5 MMO HC2 H -5.962 -2.267 -0.716 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 2 . 285 . 1 1 5 MMO HC3 H -5.981 -0.500 -0.516 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 2 . 286 . 1 1 5 MMO HCB1 H -7.466 -3.932 -0.549 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 2 . 287 . 1 1 5 MMO HCB2 H -7.754 -4.811 0.947 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 2 . 288 . 1 1 5 MMO HCD1 H -9.146 -5.467 -1.438 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 2 . 289 . 1 1 5 MMO HCD2 H -9.810 -6.098 0.068 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 2 . 290 . 1 1 5 MMO HCG1 H -10.061 -3.926 0.978 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 2 . 291 . 1 1 5 MMO HCG2 H -9.753 -3.161 -0.582 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 2 . 292 . 1 1 5 MMO HH11 H -13.503 -5.300 -2.217 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 2 . 293 . 1 1 5 MMO HH12 H -13.604 -7.020 -2.386 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 2 . 294 . 1 1 5 MMO HH21 H -10.425 -7.626 -1.060 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 2 . 295 . 1 1 5 MMO HH22 H -11.854 -8.344 -1.728 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 2 . 296 . 1 1 5 MMO N N -7.617 -1.509 0.331 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 2 . 297 . 1 1 5 MMO NE N -11.203 -5.246 -1.221 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 2 . 298 . 1 1 5 MMO NH1 N -13.096 -6.205 -2.106 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 2 . 299 . 1 1 5 MMO NH2 N -11.343 -7.531 -1.448 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 2 . 300 . 1 1 5 MMO O O -5.324 -3.410 1.173 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 2 . 301 . 1 1 6 TRP C C -3.726 -1.918 3.080 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 2 . 302 . 1 1 6 TRP CA C -4.849 -2.658 3.796 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 2 . 303 . 1 1 6 TRP CB C -4.491 -4.137 3.943 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 2 . 304 . 1 1 6 TRP CD1 C -5.233 -4.837 6.292 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 2 . 305 . 1 1 6 TRP CD2 C -6.459 -5.720 4.639 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 2 . 306 . 1 1 6 TRP CE2 C -6.966 -6.180 5.870 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 2 . 307 . 1 1 6 TRP CE3 C -7.072 -6.143 3.457 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 2 . 308 . 1 1 6 TRP CG C -5.351 -4.863 4.933 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 2 . 309 . 1 1 6 TRP CH2 C -8.638 -7.441 4.774 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 2 . 310 . 1 1 6 TRP CZ2 C -8.057 -7.043 5.947 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 2 . 311 . 1 1 6 TRP CZ3 C -8.153 -7.000 3.536 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 2 . 312 . 1 1 6 TRP H H -6.880 -2.113 3.539 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 2 . 313 . 1 1 6 TRP HA H -4.976 -2.229 4.782 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 2 . 314 . 1 1 6 TRP HB3 H -3.464 -4.221 4.269 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 315 . 1 1 6 TRP HD1 H -4.485 -4.276 6.828 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 2 . 316 . 1 1 6 TRP HE1 H -6.325 -5.773 7.825 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 2 . 317 . 1 1 6 TRP HE3 H -6.712 -5.814 2.492 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 2 . 318 . 1 1 6 TRP HH2 H -9.485 -8.110 4.789 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 2 . 319 . 1 1 6 TRP HZ2 H -8.441 -7.392 6.895 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 2 . 320 . 1 1 6 TRP HZ3 H -8.641 -7.336 2.633 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 2 . 321 . 1 1 6 TRP N N -6.110 -2.511 3.080 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 2 . 322 . 1 1 6 TRP NE1 N -6.202 -5.629 6.863 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 2 . 323 . 1 1 6 TRP O O -2.853 -2.520 2.454 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 2 . 324 . 1 1 7 PRO C C -1.367 0.146 3.208 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 2 . 325 . 1 1 7 PRO CA C -2.732 0.270 2.539 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 2 . 326 . 1 1 7 PRO CB C -3.290 1.685 2.723 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 2 . 327 . 1 1 7 PRO CD C -4.753 0.205 3.901 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 2 . 328 . 1 1 7 PRO CG C -4.168 1.590 3.924 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 2 . 329 . 1 1 7 PRO HA H -2.635 0.055 1.485 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 2 . 330 . 1 1 7 PRO HB3 H -3.850 1.971 1.847 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 331 . 1 1 7 PRO HD3 H -5.696 0.204 3.376 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 2 . 332 . 1 1 7 PRO HG3 H -4.952 2.329 3.863 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 2 . 333 . 1 1 7 PRO N N -3.744 -0.580 3.173 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 2 . 334 . 1 1 7 PRO O O -1.272 0.056 4.432 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 2 . 335 . 1 1 8 ILE C C 1.948 1.103 2.320 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 2 . 336 . 1 1 8 ILE CA C 1.045 0.027 2.912 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 2 . 337 . 1 1 8 ILE CB C 1.648 -1.357 2.609 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 2 . 338 . 1 1 8 ILE CD1 C 0.246 -2.414 4.452 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 2 . 339 . 1 1 8 ILE CG1 C 0.665 -2.463 3.000 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 2 . 340 . 1 1 8 ILE CG2 C 2.968 -1.531 3.345 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 2 . 341 . 1 1 8 ILE H H -0.454 0.214 1.430 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 2 . 342 . 1 1 8 ILE HA H 1.005 0.155 3.985 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 2 . 343 . 1 1 8 ILE HB H 1.844 -1.416 1.551 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 2 . 344 . 1 1 8 ILE HD11 H 0.534 -3.334 4.940 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 2 . 345 . 1 1 8 ILE HD12 H 0.728 -1.582 4.938 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 2 . 346 . 1 1 8 ILE HD13 H -0.826 -2.295 4.513 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 2 . 347 . 1 1 8 ILE HG13 H 1.125 -3.423 2.817 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 2 . 348 . 1 1 8 ILE HG21 H 2.998 -2.510 3.806 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 2 . 349 . 1 1 8 ILE HG22 H 3.785 -1.438 2.647 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 2 . 350 . 1 1 8 ILE HG23 H 3.057 -0.773 4.109 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 2 . 351 . 1 1 8 ILE N N -0.314 0.140 2.398 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 2 . 352 . 1 1 8 ILE O O 1.876 1.404 1.129 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 2 . 353 . 1 1 9 CYS C C 5.156 2.206 2.696 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 2 . 354 . 1 1 9 CYS CA C 3.720 2.724 2.721 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 2 . 355 . 1 1 9 CYS CB C 3.623 3.940 3.642 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 2 . 356 . 1 1 9 CYS H H 2.813 1.397 4.100 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 2 . 357 . 1 1 9 CYS HA H 3.439 3.014 1.722 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 2 . 358 . 1 1 9 CYS HB3 H 4.533 4.514 3.566 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 359 . 1 1 9 CYS N N 2.802 1.679 3.160 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 2 . 360 . 1 1 9 CYS O O 5.640 1.634 3.673 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 2 . 361 . 1 1 9 CYS SG S 2.230 5.052 3.259 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 2 . 362 . 1 1 10 PHE C C 8.174 3.151 1.444 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 2 . 363 . 1 1 10 PHE CA C 7.213 1.966 1.416 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 2 . 364 . 1 1 10 PHE CB C 7.378 1.190 0.108 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 2 . 365 . 1 1 10 PHE CD1 C 8.134 -1.203 0.101 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 2 . 366 . 1 1 10 PHE CD2 C 5.834 -0.743 0.521 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 2 . 367 . 1 1 10 PHE CE1 C 7.890 -2.557 0.226 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 2 . 368 . 1 1 10 PHE CE2 C 5.582 -2.095 0.648 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 2 . 369 . 1 1 10 PHE CG C 7.109 -0.281 0.246 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 2 . 370 . 1 1 10 PHE CZ C 6.613 -3.004 0.500 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 2 . 371 . 1 1 10 PHE H H 5.394 2.873 0.827 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 2 . 372 . 1 1 10 PHE HA H 7.445 1.313 2.244 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 2 . 373 . 1 1 10 PHE HB3 H 8.391 1.313 -0.248 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 374 . 1 1 10 PHE HD1 H 9.134 -0.853 -0.114 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 2 . 375 . 1 1 10 PHE HD2 H 5.025 -0.033 0.636 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 2 . 376 . 1 1 10 PHE HE1 H 8.697 -3.266 0.110 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 2 . 377 . 1 1 10 PHE HE2 H 4.582 -2.443 0.862 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 2 . 378 . 1 1 10 PHE HZ H 6.419 -4.063 0.599 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 2 . 379 . 1 1 10 PHE N N 5.833 2.411 1.571 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 2 . 380 . 1 1 10 PHE O O 7.788 4.300 1.227 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 2 . 381 . 1 1 11 PRO C C 10.817 4.480 0.404 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 2 . 382 . 1 1 11 PRO CA C 10.498 3.895 1.775 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 2 . 383 . 1 1 11 PRO CB C 11.710 3.140 2.330 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 2 . 384 . 1 1 11 PRO CD C 9.987 1.520 1.985 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 2 . 385 . 1 1 11 PRO CG C 11.477 1.720 1.948 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 2 . 386 . 1 1 11 PRO HA H 10.230 4.695 2.453 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 2 . 387 . 1 1 11 PRO HB3 H 11.753 3.259 3.402 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 388 . 1 1 11 PRO HD3 H 9.676 1.172 2.958 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 2 . 389 . 1 1 11 PRO HG3 H 11.959 1.066 2.660 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 2 . 390 . 1 1 11 PRO N N 9.456 2.868 1.715 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 2 . 391 . 1 1 11 PRO O O 11.345 5.587 0.299 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 2 . 392 . 1 1 12 ASP C C 9.707 5.209 -2.443 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 2 . 393 . 1 1 12 ASP CA C 10.744 4.176 -2.008 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 2 . 394 . 1 1 12 ASP CB C 10.726 2.984 -2.968 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 2 . 395 . 1 1 12 ASP CG C 11.325 3.319 -4.318 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 2 . 396 . 1 1 12 ASP H H 10.075 2.858 -0.493 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 2 . 397 . 1 1 12 ASP HA H 11.721 4.632 -2.034 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 2 . 398 . 1 1 12 ASP HB3 H 9.705 2.666 -3.116 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 399 . 1 1 12 ASP N N 10.493 3.732 -0.643 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 2 . 400 . 1 1 12 ASP O O 10.047 6.237 -3.027 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 2 . 401 . 1 1 12 ASP OD1 O 11.677 2.379 -5.062 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 2 . 402 . 1 1 12 ASP OD2 O 11.444 4.523 -4.633 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 2 . 403 . 1 1 13 GLY C C 6.131 5.115 -3.001 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 2 . 404 . 1 1 13 GLY CA C 7.373 5.838 -2.522 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 2 . 405 . 1 1 13 GLY H H 8.227 4.091 -1.686 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 2 . 406 . 1 1 13 GLY HA2 H 7.119 6.442 -1.664 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 2 . 407 . 1 1 13 GLY HA3 H 7.728 6.485 -3.311 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 2 . 408 . 1 1 13 GLY N N 8.440 4.926 -2.153 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 2 . 409 . 1 1 13 GLY O O 5.618 5.401 -4.084 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 2 . 410 . 1 1 14 ARG C C 3.485 3.349 -1.373 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 2 . 411 . 1 1 14 ARG CA C 4.460 3.409 -2.546 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 2 . 412 . 1 1 14 ARG CB C 4.849 1.990 -2.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 2 . 413 . 1 1 14 ARG CD C 6.597 2.193 -4.766 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 2 . 414 . 1 1 14 ARG CG C 5.145 1.860 -4.456 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 2 . 415 . 1 1 14 ARG CZ C 7.654 0.046 -5.331 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 2 . 416 . 1 1 14 ARG H H 6.102 3.994 -1.347 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 2 . 417 . 1 1 14 ARG HA H 3.977 3.902 -3.377 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 2 . 418 . 1 1 14 ARG HB3 H 4.039 1.320 -2.727 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 2 . 419 . 1 1 14 ARG HD3 H 6.897 3.031 -4.155 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 2 . 420 . 1 1 14 ARG HE H 7.983 1.073 -3.652 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 2 . 421 . 1 1 14 ARG HG3 H 4.505 2.537 -5.002 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 2 . 422 . 1 1 14 ARG HH11 H 6.372 0.754 -6.721 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 2 . 423 . 1 1 14 ARG HH12 H 7.124 -0.758 -7.107 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 2 . 424 . 1 1 14 ARG HH21 H 8.980 -0.918 -4.148 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 2 . 425 . 1 1 14 ARG HH22 H 8.606 -1.710 -5.642 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 2 . 426 . 1 1 14 ARG N N 5.649 4.176 -2.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 2 . 427 . 1 1 14 ARG NE N 7.486 1.067 -4.497 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 2 . 428 . 1 1 14 ARG NH1 N 6.995 0.010 -6.480 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 2 . 429 . 1 1 14 ARG NH2 N 8.482 -0.942 -5.014 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 2 . 430 . 1 1 14 ARG O O 3.590 2.477 -0.510 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 3 . 431 . 1 1 1 CYS C C 0.090 3.456 -1.578 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 3 . 432 . 1 1 1 CYS CA C 1.367 3.968 -0.916 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 3 . 433 . 1 1 1 CYS CB C 1.049 5.175 -0.030 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 3 . 434 . 1 1 1 CYS H1 H 2.082 4.819 -2.716 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 3 . 435 . 1 1 1 CYS HA H 1.779 3.183 -0.303 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 3 . 436 . 1 1 1 CYS HB3 H 0.280 4.901 0.677 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 437 . 1 1 1 CYS N N 2.364 4.324 -1.917 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 3 . 438 . 1 1 1 CYS O O -0.295 3.920 -2.651 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 3 . 439 . 1 1 1 CYS SG S 2.475 5.802 0.913 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 3 . 440 . 1 1 2 THR C C -3.013 2.446 -0.691 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 3 . 441 . 1 1 2 THR CA C -1.797 1.926 -1.451 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 3 . 442 . 1 1 2 THR CB C -1.778 0.387 -1.375 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 3 . 443 . 1 1 2 THR CG2 C -0.732 -0.189 -2.315 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 3 . 444 . 1 1 2 THR H H -0.209 2.173 -0.075 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 3 . 445 . 1 1 2 THR HA H -1.883 2.211 -2.490 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 3 . 446 . 1 1 2 THR HB H -2.749 0.015 -1.666 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 3 . 447 . 1 1 2 THR HG1 H -0.614 0.243 0.212 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 3 . 448 . 1 1 2 THR HG21 H -1.222 -0.673 -3.146 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 3 . 449 . 1 1 2 THR HG22 H -0.127 -0.908 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 3 . 450 . 1 1 2 THR HG23 H -0.104 0.607 -2.686 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 3 . 451 . 1 1 2 THR N N -0.565 2.500 -0.927 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 3 . 452 . 1 1 2 THR O O -2.892 2.947 0.426 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 3 . 453 . 1 1 2 THR OG1 O -1.502 -0.031 -0.032 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 3 . 454 . 1 1 3 HIS C C -6.590 1.881 -1.078 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 3 . 455 . 1 1 3 HIS CA C -5.424 2.782 -0.688 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 3 . 456 . 1 1 3 HIS CB C -5.720 4.225 -1.098 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 3 . 457 . 1 1 3 HIS CD2 C -7.027 4.606 -3.305 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 3 . 458 . 1 1 3 HIS CE1 C -5.330 4.563 -4.693 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 3 . 459 . 1 1 3 HIS CG C -5.907 4.403 -2.572 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 3 . 460 . 1 1 3 HIS H H -4.218 1.917 -2.197 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 3 . 461 . 1 1 3 HIS HA H -5.294 2.740 0.383 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 3 . 462 . 1 1 3 HIS HB3 H -4.901 4.857 -0.787 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 463 . 1 1 3 HIS HD1 H -3.918 4.252 -3.247 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 3 . 464 . 1 1 3 HIS HD2 H -8.037 4.679 -2.926 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 3 . 465 . 1 1 3 HIS HE1 H -4.742 4.594 -5.598 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 3 . 466 . 1 1 3 HIS N N -4.184 2.325 -1.307 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 3 . 467 . 1 1 3 HIS ND1 N -4.861 4.381 -3.471 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 3 . 468 . 1 1 3 HIS NE2 N -6.642 4.702 -4.620 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 3 . 469 . 1 1 3 HIS O O -6.851 1.658 -2.261 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 3 . 470 . 1 1 4 . C C -8.366 -0.748 0.587 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 3 . 471 . 1 1 4 . CA C -8.432 0.484 -0.312 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 3 . 472 . 1 1 4 . CB C -9.742 1.237 -0.071 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 3 . 473 . 1 1 4 . CD1 C -11.274 -0.640 -0.727 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 3 . 474 . 1 1 4 . CD2 C -11.620 1.504 -1.715 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 3 . 475 . 1 1 4 . CE1 C -12.340 -1.144 -1.446 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 3 . 476 . 1 1 4 . CE2 C -12.687 1.004 -2.436 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 3 . 477 . 1 1 4 . CG C -10.902 0.690 -0.853 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 3 . 478 . 1 1 4 . CZ C -13.047 -0.324 -2.302 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 3 . 479 . 1 1 4 . H H -7.037 1.576 0.847 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 3 . 480 . 1 1 4 . HA H -8.394 0.166 -1.343 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 3 . 481 . 1 1 4 . HB2 H -9.611 2.271 -0.351 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 3 . 482 . 1 1 4 . HB3 H -9.992 1.181 0.979 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 483 . 1 1 4 . HD1 H -10.721 -1.285 -0.059 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 3 . 484 . 1 1 4 . HD2 H -11.337 2.542 -1.820 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 3 . 485 . 1 1 4 . HE1 H -12.619 -2.182 -1.340 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 3 . 486 . 1 1 4 . HE2 H -13.237 1.649 -3.105 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 3 . 487 . 1 1 4 . HZ H -13.881 -0.715 -2.864 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 3 . 488 . 1 1 4 . N N -7.292 1.362 -0.075 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 3 . 489 . 1 1 4 . O O -9.128 -0.869 1.546 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 3 . 490 . 1 1 5 MMO C C -5.877 -2.968 1.627 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 3 . 491 . 1 1 5 MMO CA C -7.286 -2.879 1.046 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 3 . 492 . 1 1 5 MMO CB C -7.567 -4.105 0.176 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 3 . 493 . 1 1 5 MMO CD C -9.675 -5.175 1.027 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 3 . 494 . 1 1 5 MMO CG C -9.047 -4.344 -0.080 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 3 . 495 . 1 1 5 MMO CN C -6.585 -1.425 -0.898 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 3 . 496 . 1 1 5 MMO CZ C -10.889 -3.543 2.410 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 3 . 497 . 1 1 5 MMO HA H -7.996 -2.854 1.858 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 3 . 498 . 1 1 5 MMO HC1 H -5.994 -0.525 -0.738 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 3 . 499 . 1 1 5 MMO HC2 H -7.202 -1.302 -1.787 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 3 . 500 . 1 1 5 MMO HC3 H -5.920 -2.278 -1.032 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 3 . 501 . 1 1 5 MMO HCB1 H -7.077 -3.977 -0.777 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 3 . 502 . 1 1 5 MMO HCB2 H -7.164 -4.980 0.664 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 3 . 503 . 1 1 5 MMO HCD1 H -10.629 -5.548 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 3 . 504 . 1 1 5 MMO HCD2 H -9.024 -6.006 1.249 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 3 . 505 . 1 1 5 MMO HCG1 H -9.552 -3.390 -0.130 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 3 . 506 . 1 1 5 MMO HCG2 H -9.161 -4.864 -1.018 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 3 . 507 . 1 1 5 MMO HH11 H -10.347 -3.007 4.282 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 3 . 508 . 1 1 5 MMO HH12 H -11.768 -2.228 3.670 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 3 . 509 . 1 1 5 MMO HH21 H -11.683 -3.866 0.581 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 3 . 510 . 1 1 5 MMO HH22 H -12.528 -2.717 1.565 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 3 . 511 . 1 1 5 MMO N N -7.451 -1.657 0.268 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 3 . 512 . 1 1 5 MMO NE N -9.884 -4.396 2.246 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 3 . 513 . 1 1 5 MMO NH1 N -11.011 -2.872 3.548 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 3 . 514 . 1 1 5 MMO NH2 N -11.773 -3.358 1.438 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 3 . 515 . 1 1 5 MMO O O -4.898 -3.098 0.890 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 3 . 516 . 1 1 6 TRP C C -3.568 -1.847 3.156 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 3 . 517 . 1 1 6 TRP CA C -4.492 -2.964 3.627 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 3 . 518 . 1 1 6 TRP CB C -3.837 -4.325 3.380 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 3 . 519 . 1 1 6 TRP CD1 C -4.003 -5.563 5.618 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 3 . 520 . 1 1 6 TRP CD2 C -5.242 -6.454 3.979 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 3 . 521 . 1 1 6 TRP CE2 C -5.421 -7.223 5.145 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 3 . 522 . 1 1 6 TRP CE3 C -5.925 -6.825 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 3 . 523 . 1 1 6 TRP CG C -4.332 -5.398 4.303 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 3 . 524 . 1 1 6 TRP CH2 C -6.909 -8.677 4.029 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 3 . 525 . 1 1 6 TRP CZ2 C -6.253 -8.338 5.181 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 3 . 526 . 1 1 6 TRP CZ3 C -6.750 -7.932 2.854 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 3 . 527 . 1 1 6 TRP H H -6.598 -2.791 3.481 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 3 . 528 . 1 1 6 TRP HA H -4.670 -2.847 4.686 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 3 . 529 . 1 1 6 TRP HB3 H -2.770 -4.231 3.518 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 530 . 1 1 6 TRP HD1 H -3.326 -4.921 6.163 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 3 . 531 . 1 1 6 TRP HE1 H -4.582 -6.984 7.053 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 3 . 532 . 1 1 6 TRP HE3 H -5.815 -6.261 1.901 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 3 . 533 . 1 1 6 TRP HH2 H -7.563 -9.537 4.012 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 3 . 534 . 1 1 6 TRP HZ2 H -6.386 -8.923 6.078 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 3 . 535 . 1 1 6 TRP HZ3 H -7.285 -8.235 1.966 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 3 . 536 . 1 1 6 TRP N N -5.782 -2.893 2.948 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 3 . 537 . 1 1 6 TRP NE1 N -4.654 -6.661 6.131 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 3 . 538 . 1 1 6 TRP O O -2.596 -2.077 2.435 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 3 . 539 . 1 1 7 PRO C C -1.711 0.575 3.873 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 3 . 540 . 1 1 7 PRO CA C -3.080 0.568 3.204 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 3 . 541 . 1 1 7 PRO CB C -3.927 1.737 3.706 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 3 . 542 . 1 1 7 PRO CD C -5.017 -0.263 4.431 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 3 . 543 . 1 1 7 PRO CG C -4.745 1.165 4.812 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 3 . 544 . 1 1 7 PRO HA H -2.956 0.643 2.134 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 3 . 545 . 1 1 7 PRO HB3 H -4.552 2.106 2.905 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 546 . 1 1 7 PRO HD3 H -5.946 -0.338 3.885 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 3 . 547 . 1 1 7 PRO HG3 H -5.673 1.711 4.905 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 3 . 548 . 1 1 7 PRO N N -3.873 -0.608 3.571 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 3 . 549 . 1 1 7 PRO O O -1.607 0.493 5.097 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 3 . 550 . 1 1 8 ILE C C 1.568 1.681 2.803 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 3 . 551 . 1 1 8 ILE CA C 0.702 0.694 3.579 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 3 . 552 . 1 1 8 ILE CB C 1.348 -0.702 3.515 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 3 . 553 . 1 1 8 ILE CD1 C 2.698 -0.824 1.358 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 3 . 554 . 1 1 8 ILE CG1 C 1.411 -1.191 2.065 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 3 . 555 . 1 1 8 ILE CG2 C 0.575 -1.686 4.379 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 3 . 556 . 1 1 8 ILE H H -0.807 0.736 2.097 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 3 . 557 . 1 1 8 ILE HA H 0.662 1.003 4.613 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 3 . 558 . 1 1 8 ILE HB H 2.351 -0.626 3.906 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 3 . 559 . 1 1 8 ILE HD11 H 2.602 0.160 0.925 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 3 . 560 . 1 1 8 ILE HD12 H 3.512 -0.827 2.067 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 3 . 561 . 1 1 8 ILE HD13 H 2.897 -1.545 0.578 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 3 . 562 . 1 1 8 ILE HG13 H 0.592 -0.758 1.512 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 3 . 563 . 1 1 8 ILE HG21 H 1.177 -2.564 4.552 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 3 . 564 . 1 1 8 ILE HG22 H 0.337 -1.222 5.324 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 3 . 565 . 1 1 8 ILE HG23 H -0.337 -1.967 3.875 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 3 . 566 . 1 1 8 ILE N N -0.662 0.674 3.064 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 3 . 567 . 1 1 8 ILE O O 1.148 2.224 1.781 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 3 . 568 . 1 1 9 CYS C C 5.092 2.194 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 3 . 569 . 1 1 9 CYS CA C 3.712 2.826 2.648 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 3 . 570 . 1 1 9 CYS CB C 3.812 4.127 3.445 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 3 . 571 . 1 1 9 CYS H H 3.061 1.442 4.112 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 3 . 572 . 1 1 9 CYS HA H 3.327 3.048 1.664 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 3 . 573 . 1 1 9 CYS HB3 H 4.790 4.559 3.293 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 574 . 1 1 9 CYS N N 2.782 1.906 3.295 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 3 . 575 . 1 1 9 CYS O O 5.634 1.640 3.462 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 3 . 576 . 1 1 9 CYS SG S 2.572 5.380 2.986 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 3 . 577 . 1 1 10 PHE C C 8.066 2.764 1.252 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 3 . 578 . 1 1 10 PHE CA C 6.976 1.720 1.038 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 3 . 579 . 1 1 10 PHE CB C 7.043 1.182 -0.393 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 3 . 580 . 1 1 10 PHE CD1 C 7.103 -1.239 0.264 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 3 . 581 . 1 1 10 PHE CD2 C 5.568 -0.563 -1.431 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 3 . 582 . 1 1 10 PHE CE1 C 6.662 -2.544 0.145 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 3 . 583 . 1 1 10 PHE CE2 C 5.124 -1.866 -1.553 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 3 . 584 . 1 1 10 PHE CG C 6.561 -0.235 -0.524 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 3 . 585 . 1 1 10 PHE CZ C 5.672 -2.860 -0.764 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 3 . 586 . 1 1 10 PHE H H 5.175 2.738 0.584 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 3 . 587 . 1 1 10 PHE HA H 7.134 0.906 1.728 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 3 . 588 . 1 1 10 PHE HB3 H 8.065 1.220 -0.737 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 589 . 1 1 10 PHE HD1 H 7.880 -0.994 0.976 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 3 . 590 . 1 1 10 PHE HD2 H 5.138 0.211 -2.050 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 3 . 591 . 1 1 10 PHE HE1 H 7.096 -3.318 0.763 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 3 . 592 . 1 1 10 PHE HE2 H 4.349 -2.109 -2.266 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 3 . 593 . 1 1 10 PHE HZ H 5.327 -3.876 -0.858 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 3 . 594 . 1 1 10 PHE N N 5.656 2.283 1.306 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 3 . 595 . 1 1 10 PHE O O 7.816 3.970 1.252 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 3 . 596 . 1 1 11 PRO C C 10.843 3.949 0.406 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 3 . 597 . 1 1 11 PRO CA C 10.464 3.169 1.658 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 3 . 598 . 1 1 11 PRO CB C 11.579 2.194 2.040 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 3 . 599 . 1 1 11 PRO CD C 9.680 0.868 1.451 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 3 . 600 . 1 1 11 PRO CG C 11.183 0.900 1.418 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 3 . 601 . 1 1 11 PRO HA H 10.290 3.858 2.472 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 3 . 602 . 1 1 11 PRO HB3 H 11.639 2.113 3.116 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 603 . 1 1 11 PRO HD3 H 9.333 0.387 2.354 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 3 . 604 . 1 1 11 PRO HG3 H 11.589 0.079 1.991 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 3 . 605 . 1 1 11 PRO N N 9.308 2.292 1.439 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 3 . 606 . 1 1 11 PRO O O 11.337 5.075 0.489 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 3 . 607 . 1 1 12 ASP C C 10.000 5.167 -2.288 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 3 . 608 . 1 1 12 ASP CA C 10.930 3.987 -2.027 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 3 . 609 . 1 1 12 ASP CB C 10.826 2.977 -3.170 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 3 . 610 . 1 1 12 ASP CG C 11.571 3.429 -4.411 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 3 . 611 . 1 1 12 ASP H H 10.218 2.450 -0.756 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 3 . 612 . 1 1 12 ASP HA H 11.945 4.351 -1.972 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 3 . 613 . 1 1 12 ASP HB3 H 9.786 2.840 -3.427 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 614 . 1 1 12 ASP N N 10.612 3.347 -0.757 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 3 . 615 . 1 1 12 ASP O O 10.357 6.109 -2.992 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 3 . 616 . 1 1 12 ASP OD1 O 10.908 3.781 -5.408 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 3 . 617 . 1 1 12 ASP OD2 O 12.821 3.427 -4.386 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 3 . 618 . 1 1 13 GLY C C 6.665 5.757 -2.762 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 3 . 619 . 1 1 13 GLY CA C 7.837 6.178 -1.898 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 3 . 620 . 1 1 13 GLY H H 8.569 4.331 -1.162 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 3 . 621 . 1 1 13 GLY HA2 H 7.468 6.484 -0.931 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 3 . 622 . 1 1 13 GLY HA3 H 8.332 7.016 -2.367 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 3 . 623 . 1 1 13 GLY N N 8.801 5.108 -1.716 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 3 . 624 . 1 1 13 GLY O O 6.572 6.144 -3.926 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 3 . 625 . 1 1 14 ARG C C 3.599 3.823 -1.968 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 3 . 626 . 1 1 14 ARG CA C 4.594 4.489 -2.916 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 3 . 627 . 1 1 14 ARG CB C 5.009 3.504 -4.010 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 3 . 628 . 1 1 14 ARG CD C 4.278 2.251 -6.063 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 3 . 629 . 1 1 14 ARG CG C 3.835 2.890 -4.757 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 3 . 630 . 1 1 14 ARG CZ C 2.811 0.291 -6.288 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 3 . 631 . 1 1 14 ARG H H 5.893 4.688 -1.258 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 3 . 632 . 1 1 14 ARG HA H 4.119 5.343 -3.375 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 3 . 633 . 1 1 14 ARG HB3 H 5.577 2.703 -3.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 3 . 634 . 1 1 14 ARG HD3 H 5.103 1.585 -5.860 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 3 . 635 . 1 1 14 ARG HE H 2.747 1.905 -7.460 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 3 . 636 . 1 1 14 ARG HG3 H 3.113 3.665 -4.970 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 3 . 637 . 1 1 14 ARG HH11 H 4.151 0.181 -4.781 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 3 . 638 . 1 1 14 ARG HH12 H 3.110 -1.192 -4.950 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 3 . 639 . 1 1 14 ARG HH21 H 1.371 0.099 -7.694 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 3 . 640 . 1 1 14 ARG HH22 H 1.530 -1.239 -6.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 3 . 641 . 1 1 14 ARG N N 5.765 4.964 -2.191 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 3 . 642 . 1 1 14 ARG NE N 3.200 1.494 -6.694 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 3 . 643 . 1 1 14 ARG NH1 N 3.407 -0.287 -5.255 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 3 . 644 . 1 1 14 ARG NH2 N 1.823 -0.333 -6.915 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 3 . 645 . 1 1 14 ARG O O 3.911 2.815 -1.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 4 . 646 . 1 1 1 CYS C C 0.102 3.497 -1.064 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 4 . 647 . 1 1 1 CYS CA C 1.340 4.011 -0.336 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 4 . 648 . 1 1 1 CYS CB C 0.977 5.230 0.515 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 4 . 649 . 1 1 1 CYS H1 H 2.373 5.222 -1.730 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 4 . 650 . 1 1 1 CYS HA H 1.713 3.232 0.311 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 4 . 651 . 1 1 1 CYS HB3 H 0.215 4.950 1.225 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 652 . 1 1 1 CYS N N 2.395 4.349 -1.282 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 4 . 653 . 1 1 1 CYS O O -0.319 4.061 -2.073 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 4 . 654 . 1 1 1 CYS SG S 2.376 5.933 1.445 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 4 . 655 . 1 1 2 THR C C -2.938 2.353 -0.478 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 4 . 656 . 1 1 2 THR CA C -1.670 1.830 -1.141 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 4 . 657 . 1 1 2 THR CB C -1.647 0.292 -1.038 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 4 . 658 . 1 1 2 THR CG2 C -0.909 -0.319 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 4 . 659 . 1 1 2 THR H H -0.099 2.016 0.264 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 4 . 660 . 1 1 2 THR HA H -1.685 2.097 -2.188 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 4 . 661 . 1 1 2 THR HB H -2.665 -0.069 -1.042 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 4 . 662 . 1 1 2 THR HG1 H -1.064 -1.062 0.273 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 4 . 663 . 1 1 2 THR HG21 H 0.127 -0.469 -1.958 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 4 . 664 . 1 1 2 THR HG22 H -0.975 0.347 -3.067 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 4 . 665 . 1 1 2 THR HG23 H -1.358 -1.268 -2.470 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 4 . 666 . 1 1 2 THR N N -0.481 2.420 -0.543 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 4 . 667 . 1 1 2 THR O O -2.938 2.692 0.705 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 4 . 668 . 1 1 2 THR OG1 O -1.015 -0.106 0.184 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 4 . 669 . 1 1 3 HIS C C -6.440 1.994 -1.184 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 4 . 670 . 1 1 3 HIS CA C -5.297 2.898 -0.734 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 4 . 671 . 1 1 3 HIS CB C -5.552 4.332 -1.203 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 4 . 672 . 1 1 3 HIS CD2 C -3.908 5.502 0.426 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 4 . 673 . 1 1 3 HIS CE1 C -3.006 6.915 -0.989 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 4 . 674 . 1 1 3 HIS CG C -4.488 5.298 -0.779 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 4 . 675 . 1 1 3 HIS H H -3.959 2.133 -2.183 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 4 . 676 . 1 1 3 HIS HA H -5.247 2.886 0.343 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 4 . 677 . 1 1 3 HIS HB3 H -6.494 4.674 -0.797 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 678 . 1 1 3 HIS HD1 H -4.111 6.299 -2.594 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 4 . 679 . 1 1 3 HIS HD2 H -4.125 4.970 1.342 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 4 . 680 . 1 1 3 HIS HE1 H -2.391 7.696 -1.409 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 4 . 681 . 1 1 3 HIS N N -4.020 2.417 -1.249 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 4 . 682 . 1 1 3 HIS ND1 N -3.902 6.199 -1.643 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 4 . 683 . 1 1 3 HIS NE2 N -2.989 6.511 0.270 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 4 . 684 . 1 1 3 HIS O O -6.631 1.765 -2.378 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 4 . 685 . 1 1 4 . C C -8.307 -0.624 0.394 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 4 . 686 . 1 1 4 . CA C -8.321 0.602 -0.515 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 4 . 687 . 1 1 4 . CB C -9.643 1.356 -0.353 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 4 . 688 . 1 1 4 . CD1 C -10.232 1.756 -2.757 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 4 . 689 . 1 1 4 . CD2 C -9.978 3.644 -1.324 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 4 . 690 . 1 1 4 . CE1 C -10.523 2.597 -3.816 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 4 . 691 . 1 1 4 . CE2 C -10.267 4.488 -2.379 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 4 . 692 . 1 1 4 . CG C -9.957 2.269 -1.501 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 4 . 693 . 1 1 4 . CZ C -10.539 3.964 -3.627 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 4 . 694 . 1 1 4 . H H -6.995 1.702 0.714 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 4 . 695 . 1 1 4 . HA H -8.227 0.277 -1.539 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 4 . 696 . 1 1 4 . HB2 H -9.600 1.953 0.546 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 4 . 697 . 1 1 4 . HB3 H -10.448 0.641 -0.266 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 698 . 1 1 4 . HD1 H -10.220 0.687 -2.907 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 4 . 699 . 1 1 4 . HD2 H -9.763 4.056 -0.348 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 4 . 700 . 1 1 4 . HE1 H -10.734 2.184 -4.792 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 4 . 701 . 1 1 4 . HE2 H -10.278 5.557 -2.226 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 4 . 702 . 1 1 4 . HZ H -10.765 4.622 -4.451 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 4 . 703 . 1 1 4 . N N -7.198 1.482 -0.218 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 4 . 704 . 1 1 4 . O O -9.121 -0.742 1.309 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 4 . 705 . 1 1 5 MMO C C -5.863 -2.858 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 4 . 706 . 1 1 5 MMO CA C -7.252 -2.752 0.927 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 4 . 707 . 1 1 5 MMO CB C -7.530 -3.981 0.060 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 4 . 708 . 1 1 5 MMO CD C -9.520 -3.452 -1.381 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 4 . 709 . 1 1 5 MMO CG C -9.010 -4.234 -0.181 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 4 . 710 . 1 1 5 MMO CN C -6.444 -1.309 -0.983 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 4 . 711 . 1 1 5 MMO CZ C -9.768 -3.743 -3.810 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 4 . 712 . 1 1 5 MMO HA H -7.986 -2.707 1.718 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 4 . 713 . 1 1 5 MMO HC1 H -5.863 -0.406 -0.796 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 4 . 714 . 1 1 5 MMO HC2 H -7.010 -1.191 -1.907 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 4 . 715 . 1 1 5 MMO HC3 H -5.773 -2.164 -1.073 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 4 . 716 . 1 1 5 MMO HCB1 H -7.050 -3.847 -0.899 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 4 . 717 . 1 1 5 MMO HCB2 H -7.113 -4.850 0.546 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 4 . 718 . 1 1 5 MMO HCD1 H -10.568 -3.233 -1.232 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 4 . 719 . 1 1 5 MMO HCD2 H -8.967 -2.527 -1.452 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 4 . 720 . 1 1 5 MMO HCG1 H -9.160 -5.289 -0.363 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 4 . 721 . 1 1 5 MMO HCG2 H -9.564 -3.936 0.696 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 4 . 722 . 1 1 5 MMO HH11 H -9.154 -5.377 -4.831 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 4 . 723 . 1 1 5 MMO HH12 H -9.896 -4.139 -5.788 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 4 . 724 . 1 1 5 MMO HH21 H -10.484 -1.999 -3.086 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 4 . 725 . 1 1 5 MMO HH22 H -10.653 -2.217 -4.796 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 4 . 726 . 1 1 5 MMO N N -7.375 -1.536 0.133 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 4 . 727 . 1 1 5 MMO NE N -9.364 -4.196 -2.628 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 4 . 728 . 1 1 5 MMO NH1 N -9.591 -4.480 -4.900 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 4 . 729 . 1 1 5 MMO NH2 N -10.349 -2.556 -3.904 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 4 . 730 . 1 1 5 MMO O O -4.872 -3.053 0.846 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 4 . 731 . 1 1 6 TRP C C -3.547 -1.768 3.067 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 4 . 732 . 1 1 6 TRP CA C -4.533 -2.809 3.585 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 4 . 733 . 1 1 6 TRP CB C -3.933 -4.210 3.445 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 4 . 734 . 1 1 6 TRP CD1 C -3.727 -5.425 5.693 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 4 . 735 . 1 1 6 TRP CD2 C -5.562 -5.956 4.524 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 4 . 736 . 1 1 6 TRP CE2 C -5.569 -6.686 5.729 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 4 . 737 . 1 1 6 TRP CE3 C -6.619 -6.126 3.627 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 4 . 738 . 1 1 6 TRP CG C -4.375 -5.155 4.522 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 4 . 739 . 1 1 6 TRP CH2 C -7.616 -7.721 5.159 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 4 . 740 . 1 1 6 TRP CZ2 C -6.592 -7.572 6.055 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 4 . 741 . 1 1 6 TRP CZ3 C -7.634 -7.006 3.952 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 4 . 742 . 1 1 6 TRP H H -6.626 -2.575 3.375 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 4 . 743 . 1 1 6 TRP HA H -4.728 -2.614 4.629 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 4 . 744 . 1 1 6 TRP HB3 H -2.856 -4.137 3.487 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 745 . 1 1 6 TRP HD1 H -2.792 -4.973 5.988 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 4 . 746 . 1 1 6 TRP HE1 H -4.181 -6.699 7.301 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 4 . 747 . 1 1 6 TRP HE3 H -6.653 -5.586 2.692 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 4 . 748 . 1 1 6 TRP HH2 H -8.430 -8.397 5.370 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 4 . 749 . 1 1 6 TRP HZ2 H -6.592 -8.130 6.980 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 4 . 750 . 1 1 6 TRP HZ3 H -8.460 -7.151 3.271 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 4 . 751 . 1 1 6 TRP N N -5.801 -2.728 2.868 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 4 . 752 . 1 1 6 TRP NE1 N -4.440 -6.344 6.424 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 4 . 753 . 1 1 6 TRP O O -2.586 -2.083 2.364 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 4 . 754 . 1 1 7 PRO C C -1.567 0.586 3.680 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 4 . 755 . 1 1 7 PRO CA C -2.933 0.617 3.001 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 4 . 756 . 1 1 7 PRO CB C -3.718 1.854 3.442 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 4 . 757 . 1 1 7 PRO CD C -4.915 -0.049 4.254 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 4 . 758 . 1 1 7 PRO CG C -4.570 1.382 4.570 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 4 . 759 . 1 1 7 PRO HA H -2.800 0.635 1.929 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 4 . 760 . 1 1 7 PRO HB3 H -4.319 2.216 2.620 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 761 . 1 1 7 PRO HD3 H -5.845 -0.100 3.707 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 4 . 762 . 1 1 7 PRO HG3 H -5.467 1.978 4.627 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 4 . 763 . 1 1 7 PRO N N -3.789 -0.495 3.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 4 . 764 . 1 1 7 PRO O O -1.460 0.780 4.891 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 4 . 765 . 1 1 8 ILE C C 1.771 1.171 2.607 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 4 . 766 . 1 1 8 ILE CA C 0.833 0.282 3.417 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 4 . 767 . 1 1 8 ILE CB C 1.378 -1.157 3.416 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 4 . 768 . 1 1 8 ILE CD1 C -0.006 -1.738 5.472 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 4 . 769 . 1 1 8 ILE CG1 C 0.365 -2.111 4.053 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 4 . 770 . 1 1 8 ILE CG2 C 2.710 -1.222 4.149 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 4 . 771 . 1 1 8 ILE H H -0.674 0.190 1.935 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 4 . 772 . 1 1 8 ILE HA H 0.810 0.635 4.438 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 4 . 773 . 1 1 8 ILE HB H 1.546 -1.455 2.390 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 4 . 774 . 1 1 8 ILE HD11 H 0.579 -0.887 5.785 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 4 . 775 . 1 1 8 ILE HD12 H -1.055 -1.490 5.516 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 4 . 776 . 1 1 8 ILE HD13 H 0.197 -2.572 6.128 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 4 . 777 . 1 1 8 ILE HG13 H 0.782 -3.107 4.070 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 4 . 778 . 1 1 8 ILE HG21 H 2.947 -2.251 4.374 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 4 . 779 . 1 1 8 ILE HG22 H 3.484 -0.801 3.527 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 4 . 780 . 1 1 8 ILE HG23 H 2.640 -0.659 5.069 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 4 . 781 . 1 1 8 ILE N N -0.525 0.338 2.891 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 4 . 782 . 1 1 8 ILE O O 1.732 1.177 1.377 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 4 . 783 . 1 1 9 CYS C C 4.927 2.135 2.496 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 4 . 784 . 1 1 9 CYS CA C 3.569 2.811 2.656 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 4 . 785 . 1 1 9 CYS CB C 3.721 4.105 3.460 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 4 . 786 . 1 1 9 CYS H H 2.601 1.872 4.288 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 4 . 787 . 1 1 9 CYS HA H 3.184 3.049 1.677 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 4 . 788 . 1 1 9 CYS HB3 H 4.601 4.630 3.119 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 789 . 1 1 9 CYS N N 2.618 1.919 3.307 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 4 . 790 . 1 1 9 CYS O O 5.314 1.297 3.311 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 4 . 791 . 1 1 9 CYS SG S 2.305 5.241 3.313 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 4 . 792 . 1 1 10 PHE C C 8.054 2.996 1.317 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 4 . 793 . 1 1 10 PHE CA C 6.964 1.938 1.178 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 4 . 794 . 1 1 10 PHE CB C 7.006 1.329 -0.224 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 4 . 795 . 1 1 10 PHE CD1 C 7.093 -1.057 0.551 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 4 . 796 . 1 1 10 PHE CD2 C 5.519 -0.474 -1.143 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 4 . 797 . 1 1 10 PHE CE1 C 6.657 -2.368 0.506 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 4 . 798 . 1 1 10 PHE CE2 C 5.079 -1.783 -1.192 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 4 . 799 . 1 1 10 PHE CG C 6.529 -0.095 -0.273 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 4 . 800 . 1 1 10 PHE CZ C 5.650 -2.732 -0.363 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 4 . 801 . 1 1 10 PHE H H 5.287 3.182 0.831 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 4 . 802 . 1 1 10 PHE HA H 7.140 1.159 1.905 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 4 . 803 . 1 1 10 PHE HB3 H 8.020 1.353 -0.591 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 804 . 1 1 10 PHE HD1 H 7.880 -0.774 1.233 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 4 . 805 . 1 1 10 PHE HD2 H 5.072 0.268 -1.790 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 4 . 806 . 1 1 10 PHE HE1 H 7.105 -3.107 1.154 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 4 . 807 . 1 1 10 PHE HE2 H 4.290 -2.063 -1.873 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 4 . 808 . 1 1 10 PHE HZ H 5.307 -3.755 -0.401 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 4 . 809 . 1 1 10 PHE N N 5.648 2.508 1.445 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 4 . 810 . 1 1 10 PHE O O 7.797 4.200 1.261 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 4 . 811 . 1 1 11 PRO C C 10.807 4.149 0.355 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 4 . 812 . 1 1 11 PRO CA C 10.455 3.430 1.653 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 4 . 813 . 1 1 11 PRO CB C 11.586 2.482 2.063 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 4 . 814 . 1 1 11 PRO CD C 9.680 1.119 1.580 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 4 . 815 . 1 1 11 PRO CG C 11.183 1.155 1.515 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 4 . 816 . 1 1 11 PRO HA H 10.296 4.160 2.435 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 4 . 817 . 1 1 11 PRO HB3 H 11.667 2.455 3.138 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 818 . 1 1 11 PRO HD3 H 9.354 0.683 2.512 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 4 . 819 . 1 1 11 PRO HG3 H 11.602 0.366 2.119 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 4 . 820 . 1 1 11 PRO N N 9.302 2.541 1.503 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 4 . 821 . 1 1 11 PRO O O 11.283 5.284 0.374 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 4 . 822 . 1 1 12 ASP C C 9.902 5.203 -2.390 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 4 . 823 . 1 1 12 ASP CA C 10.858 4.056 -2.076 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 4 . 824 . 1 1 12 ASP CB C 10.762 2.985 -3.163 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 4 . 825 . 1 1 12 ASP CG C 11.387 1.671 -2.736 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 4 . 826 . 1 1 12 ASP H H 10.186 2.579 -0.717 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 4 . 827 . 1 1 12 ASP HA H 11.867 4.442 -2.052 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 4 . 828 . 1 1 12 ASP HB3 H 11.269 3.333 -4.048 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 829 . 1 1 12 ASP N N 10.569 3.481 -0.768 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 4 . 830 . 1 1 12 ASP O O 10.325 6.286 -2.796 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 4 . 831 . 1 1 12 ASP OD1 O 12.574 1.677 -2.349 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 4 . 832 . 1 1 12 ASP OD2 O 10.690 0.635 -2.791 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 4 . 833 . 1 1 13 GLY C C 6.331 5.402 -3.033 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 4 . 834 . 1 1 13 GLY CA C 7.614 5.979 -2.466 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 4 . 835 . 1 1 13 GLY H H 8.329 4.077 -1.875 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 4 . 836 . 1 1 13 GLY HA2 H 7.388 6.497 -1.547 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 4 . 837 . 1 1 13 GLY HA3 H 8.020 6.685 -3.175 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 4 . 838 . 1 1 13 GLY N N 8.609 4.957 -2.198 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 4 . 839 . 1 1 13 GLY O O 5.973 5.673 -4.179 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 4 . 840 . 1 1 14 ARG C C 3.512 3.640 -1.455 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 4 . 841 . 1 1 14 ARG CA C 4.388 3.985 -2.656 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 4 . 842 . 1 1 14 ARG CB C 4.673 2.722 -3.472 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 4 . 843 . 1 1 14 ARG CD C 3.760 0.841 -4.865 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 4 . 844 . 1 1 14 ARG CG C 3.419 2.027 -3.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 4 . 845 . 1 1 14 ARG CZ C 4.697 0.434 -7.102 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 4 . 846 . 1 1 14 ARG H H 5.974 4.426 -1.326 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 4 . 847 . 1 1 14 ARG HA H 3.864 4.693 -3.279 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 4 . 848 . 1 1 14 ARG HB3 H 5.223 2.025 -2.855 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 4 . 849 . 1 1 14 ARG HD3 H 2.884 0.215 -4.958 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 4 . 850 . 1 1 14 ARG HE H 4.082 2.208 -6.428 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 4 . 851 . 1 1 14 ARG HG3 H 2.828 2.732 -4.538 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 4 . 852 . 1 1 14 ARG HH11 H 4.574 -1.201 -5.921 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 4 . 853 . 1 1 14 ARG HH12 H 5.233 -1.473 -7.500 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 4 . 854 . 1 1 14 ARG HH21 H 4.948 1.861 -8.511 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 4 . 855 . 1 1 14 ARG HH22 H 5.446 0.269 -8.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 4 . 856 . 1 1 14 ARG N N 5.636 4.604 -2.228 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 4 . 857 . 1 1 14 ARG NE N 4.184 1.262 -6.197 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 4 . 858 . 1 1 14 ARG NH1 N 4.848 -0.851 -6.817 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 4 . 859 . 1 1 14 ARG NH2 N 5.061 0.894 -8.293 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 4 . 860 . 1 1 14 ARG O O 3.871 2.796 -0.634 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 5 . 861 . 1 1 1 CYS C C 0.218 3.513 -0.976 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 5 . 862 . 1 1 1 CYS CA C 1.439 4.078 -0.255 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 5 . 863 . 1 1 1 CYS CB C 1.041 5.316 0.550 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 5 . 864 . 1 1 1 CYS H1 H 2.609 5.343 -1.485 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 5 . 865 . 1 1 1 CYS HA H 1.821 3.328 0.419 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 5 . 866 . 1 1 1 CYS HB3 H 0.399 5.014 1.365 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 867 . 1 1 1 CYS N N 2.496 4.410 -1.203 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 5 . 868 . 1 1 1 CYS O O -0.214 4.044 -2.000 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 5 . 869 . 1 1 1 CYS SG S 2.452 6.226 1.260 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 5 . 870 . 1 1 2 THR C C -2.791 2.336 -0.419 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 5 . 871 . 1 1 2 THR CA C -1.503 1.793 -1.026 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 5 . 872 . 1 1 2 THR CB C -1.465 0.264 -0.837 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 5 . 873 . 1 1 2 THR CG2 C -0.768 -0.408 -2.009 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 5 . 874 . 1 1 2 THR H H 0.057 2.055 0.381 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 5 . 875 . 1 1 2 THR HA H -1.498 2.004 -2.085 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 5 . 876 . 1 1 2 THR HB H -2.480 -0.101 -0.782 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 5 . 877 . 1 1 2 THR HG1 H -1.274 -0.742 0.848 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 5 . 878 . 1 1 2 THR HG21 H 0.014 0.237 -2.382 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 5 . 879 . 1 1 2 THR HG22 H -1.484 -0.595 -2.795 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 5 . 880 . 1 1 2 THR HG23 H -0.338 -1.343 -1.682 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 5 . 881 . 1 1 2 THR N N -0.333 2.431 -0.435 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 5 . 882 . 1 1 2 THR O O -2.848 2.640 0.773 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 5 . 883 . 1 1 2 THR OG1 O -0.785 -0.061 0.381 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 5 . 884 . 1 1 3 HIS C C -6.252 2.072 -1.274 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 5 . 885 . 1 1 3 HIS CA C -5.114 2.965 -0.790 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 5 . 886 . 1 1 3 HIS CB C -5.328 4.395 -1.285 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 5 . 887 . 1 1 3 HIS CD2 C -6.041 4.562 -3.774 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 5 . 888 . 1 1 3 HIS CE1 C -4.054 4.828 -4.660 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 5 . 889 . 1 1 3 HIS CG C -5.140 4.552 -2.763 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 5 . 890 . 1 1 3 HIS H H -3.717 2.201 -2.187 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 5 . 891 . 1 1 3 HIS HA H -5.108 2.964 0.289 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 5 . 892 . 1 1 3 HIS HB3 H -4.627 5.050 -0.790 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 893 . 1 1 3 HIS HD1 H -3.048 4.755 -2.880 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 5 . 894 . 1 1 3 HIS HD2 H -7.113 4.454 -3.680 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 5 . 895 . 1 1 3 HIS HE1 H -3.259 4.971 -5.378 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 5 . 896 . 1 1 3 HIS N N -3.826 2.458 -1.247 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 5 . 897 . 1 1 3 HIS ND1 N -3.905 4.720 -3.352 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 5 . 898 . 1 1 3 HIS NE2 N -5.341 4.736 -4.942 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 5 . 899 . 1 1 3 HIS O O -6.460 1.910 -2.477 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 5 . 900 . 1 1 4 . C C -8.089 -0.637 0.218 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 5 . 901 . 1 1 4 . CA C -8.101 0.613 -0.659 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 5 . 902 . 1 1 4 . CB C -9.429 1.355 -0.490 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 5 . 903 . 1 1 4 . CD1 C -9.888 1.743 -2.928 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 5 . 904 . 1 1 4 . CD2 C -9.952 3.614 -1.450 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 5 . 905 . 1 1 4 . CE1 C -10.196 2.570 -3.991 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 5 . 906 . 1 1 4 . CE2 C -10.258 4.444 -2.510 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 5 . 907 . 1 1 4 . CG C -9.763 2.255 -1.645 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 5 . 908 . 1 1 4 . CZ C -10.381 3.922 -3.782 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 5 . 909 . 1 1 4 . H H -6.770 1.657 0.613 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 5 . 910 . 1 1 4 . HA H -7.994 0.314 -1.691 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 5 . 911 . 1 1 4 . HB2 H -9.384 1.962 0.401 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 5 . 912 . 1 1 4 . HB3 H -10.224 0.633 -0.389 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 913 . 1 1 4 . HD1 H -9.742 0.684 -3.091 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 5 . 914 . 1 1 4 . HD2 H -9.857 4.023 -0.455 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 5 . 915 . 1 1 4 . HE1 H -10.290 2.158 -4.986 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 5 . 916 . 1 1 4 . HE2 H -10.404 5.501 -2.343 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 5 . 917 . 1 1 4 . HZ H -10.621 4.570 -4.612 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 5 . 918 . 1 1 4 . N N -6.985 1.491 -0.329 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 5 . 919 . 1 1 4 . O O -8.911 -0.780 1.121 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 5 . 920 . 1 1 5 MMO C C -5.655 -2.869 1.370 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 5 . 921 . 1 1 5 MMO CA C -7.026 -2.770 0.708 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 5 . 922 . 1 1 5 MMO CB C -7.254 -3.981 -0.199 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 5 . 923 . 1 1 5 MMO CD C -8.670 -4.845 -2.088 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 5 . 924 . 1 1 5 MMO CG C -8.651 -4.038 -0.799 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 5 . 925 . 1 1 5 MMO CN C -6.208 -1.276 -1.155 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 5 . 926 . 1 1 5 MMO CZ C -10.375 -5.911 -3.501 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 5 . 927 . 1 1 5 MMO HA H -7.785 -2.762 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 5 . 928 . 1 1 5 MMO HC1 H -5.632 -0.375 -0.939 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 5 . 929 . 1 1 5 MMO HC2 H -6.764 -1.136 -2.084 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 5 . 930 . 1 1 5 MMO HC3 H -5.530 -2.123 -1.262 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 5 . 931 . 1 1 5 MMO HCB1 H -6.541 -3.948 -1.010 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 5 . 932 . 1 1 5 MMO HCB2 H -7.094 -4.880 0.373 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 5 . 933 . 1 1 5 MMO HCD1 H -8.459 -4.183 -2.914 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 5 . 934 . 1 1 5 MMO HCD2 H -7.907 -5.605 -2.032 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 5 . 935 . 1 1 5 MMO HCG1 H -9.318 -4.503 -0.086 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 5 . 936 . 1 1 5 MMO HCG2 H -8.985 -3.033 -1.007 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 5 . 937 . 1 1 5 MMO HH11 H -12.153 -6.594 -2.825 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 5 . 938 . 1 1 5 MMO HH12 H -11.874 -6.806 -4.521 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 5 . 939 . 1 1 5 MMO HH21 H -8.701 -5.340 -4.476 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 5 . 940 . 1 1 5 MMO HH22 H -9.910 -6.092 -5.460 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 5 . 941 . 1 1 5 MMO N N -7.147 -1.534 -0.056 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 5 . 942 . 1 1 5 MMO NE N -9.964 -5.484 -2.313 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 5 . 943 . 1 1 5 MMO NH1 N -11.566 -6.485 -3.627 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 5 . 944 . 1 1 5 MMO NH2 N -9.598 -5.769 -4.567 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 5 . 945 . 1 1 5 MMO O O -4.631 -2.948 0.690 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 5 . 946 . 1 1 6 TRP C C -3.428 -1.846 3.032 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 5 . 947 . 1 1 6 TRP CA C -4.396 -2.946 3.450 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 5 . 948 . 1 1 6 TRP CB C -3.749 -4.319 3.246 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 5 . 949 . 1 1 6 TRP CD1 C -4.036 -5.636 5.427 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 5 . 950 . 1 1 6 TRP CD2 C -5.322 -6.354 3.741 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 5 . 951 . 1 1 6 TRP CE2 C -5.573 -7.157 4.871 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 5 . 952 . 1 1 6 TRP CE3 C -6.018 -6.619 2.558 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 5 . 953 . 1 1 6 TRP CG C -4.336 -5.389 4.118 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 5 . 954 . 1 1 6 TRP CH2 C -7.157 -8.441 3.681 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 5 . 955 . 1 1 6 TRP CZ2 C -6.489 -8.204 4.851 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 5 . 956 . 1 1 6 TRP CZ3 C -6.929 -7.662 2.540 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 5 . 957 . 1 1 6 TRP H H -6.492 -2.794 3.183 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 5 . 958 . 1 1 6 TRP HA H -4.634 -2.823 4.498 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 5 . 959 . 1 1 6 TRP HB3 H -2.694 -4.245 3.470 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 960 . 1 1 6 TRP HD1 H -3.318 -5.071 6.004 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 5 . 961 . 1 1 6 TRP HE1 H -4.740 -7.066 6.795 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 5 . 962 . 1 1 6 TRP HE3 H -5.855 -6.028 1.670 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 5 . 963 . 1 1 6 TRP HH2 H -7.877 -9.244 3.621 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 5 . 964 . 1 1 6 TRP HZ2 H -6.679 -8.816 5.723 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 5 . 965 . 1 1 6 TRP HZ3 H -7.475 -7.880 1.636 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 5 . 966 . 1 1 6 TRP N N -5.643 -2.860 2.697 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 5 . 967 . 1 1 6 TRP NE1 N -4.776 -6.698 5.887 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 5 . 968 . 1 1 6 TRP O O -2.428 -2.091 2.359 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 5 . 969 . 1 1 7 PRO C C -1.566 0.538 3.852 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 5 . 970 . 1 1 7 PRO CA C -2.900 0.559 3.115 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 5 . 971 . 1 1 7 PRO CB C -3.751 1.744 3.582 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 5 . 972 . 1 1 7 PRO CD C -4.910 -0.239 4.241 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 5 . 973 . 1 1 7 PRO CG C -4.632 1.183 4.643 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 5 . 974 . 1 1 7 PRO HA H -2.722 0.638 2.051 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 5 . 975 . 1 1 7 PRO HB3 H -4.327 2.125 2.752 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 976 . 1 1 7 PRO HD3 H -5.812 -0.295 3.650 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 5 . 977 . 1 1 7 PRO HG3 H -5.552 1.746 4.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 5 . 978 . 1 1 7 PRO N N -3.734 -0.604 3.437 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 5 . 979 . 1 1 7 PRO O O -1.526 0.440 5.079 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 5 . 980 . 1 1 8 ILE C C 1.824 1.472 2.855 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 5 . 981 . 1 1 8 ILE CA C 0.860 0.624 3.679 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 5 . 982 . 1 1 8 ILE CB C 1.418 -0.806 3.791 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 5 . 983 . 1 1 8 ILE CD1 C 2.859 -0.168 5.790 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 5 . 984 . 1 1 8 ILE CG1 C 2.818 -0.783 4.408 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 5 . 985 . 1 1 8 ILE CG2 C 1.447 -1.472 2.425 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 5 . 986 . 1 1 8 ILE H H -0.573 0.707 2.125 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 5 . 987 . 1 1 8 ILE HA H 0.791 1.043 4.674 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 5 . 988 . 1 1 8 ILE HB H 0.760 -1.375 4.430 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 5 . 989 . 1 1 8 ILE HD11 H 2.471 0.839 5.750 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 5 . 990 . 1 1 8 ILE HD12 H 2.260 -0.760 6.466 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 5 . 991 . 1 1 8 ILE HD13 H 3.881 -0.143 6.142 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 5 . 992 . 1 1 8 ILE HG13 H 3.475 -0.210 3.770 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 5 . 993 . 1 1 8 ILE HG21 H 2.255 -1.056 1.839 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 5 . 994 . 1 1 8 ILE HG22 H 1.601 -2.534 2.546 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 5 . 995 . 1 1 8 ILE HG23 H 0.507 -1.299 1.919 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 5 . 996 . 1 1 8 ILE N N -0.476 0.633 3.097 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 5 . 997 . 1 1 8 ILE O O 1.864 1.369 1.627 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 5 . 998 . 1 1 9 CYS C C 4.918 2.477 2.735 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 5 . 999 . 1 1 9 CYS CA C 3.565 3.172 2.868 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 5 . 1000 . 1 1 9 CYS CB C 3.727 4.483 3.639 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 5 . 1001 . 1 1 9 CYS H H 2.521 2.344 4.512 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 5 . 1002 . 1 1 9 CYS HA H 3.187 3.390 1.880 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 5 . 1003 . 1 1 9 CYS HB3 H 4.712 4.883 3.449 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 1004 . 1 1 9 CYS N N 2.600 2.307 3.536 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 5 . 1005 . 1 1 9 CYS O O 5.461 1.963 3.712 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 5 . 1006 . 1 1 9 CYS SG S 2.510 5.763 3.194 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 5 . 1007 . 1 1 10 PHE C C 7.861 2.868 1.242 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 5 . 1008 . 1 1 10 PHE CA C 6.740 1.833 1.255 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 5 . 1009 . 1 1 10 PHE CB C 6.704 1.087 -0.080 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 5 . 1010 . 1 1 10 PHE CD1 C 6.765 -1.211 0.925 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 5 . 1011 . 1 1 10 PHE CD2 C 5.135 -0.751 -0.751 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 5 . 1012 . 1 1 10 PHE CE1 C 6.295 -2.507 1.033 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 5 . 1013 . 1 1 10 PHE CE2 C 4.659 -2.045 -0.649 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 5 . 1014 . 1 1 10 PHE CG C 6.189 -0.319 0.034 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 5 . 1015 . 1 1 10 PHE CZ C 5.242 -2.925 0.244 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 5 . 1016 . 1 1 10 PHE H H 4.971 2.894 0.779 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 5 . 1017 . 1 1 10 PHE HA H 6.929 1.125 2.048 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 5 . 1018 . 1 1 10 PHE HB3 H 7.702 1.045 -0.489 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 1019 . 1 1 10 PHE HD1 H 7.589 -0.886 1.543 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 5 . 1020 . 1 1 10 PHE HD2 H 4.680 -0.066 -1.452 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 5 . 1021 . 1 1 10 PHE HE1 H 6.753 -3.191 1.731 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 5 . 1022 . 1 1 10 PHE HE2 H 3.837 -2.369 -1.267 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 5 . 1023 . 1 1 10 PHE HZ H 4.873 -3.935 0.325 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 5 . 1024 . 1 1 10 PHE N N 5.454 2.467 1.519 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 5 . 1025 . 1 1 10 PHE O O 7.635 4.067 1.077 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 5 . 1026 . 1 1 11 PRO C C 10.598 3.838 0.056 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 5 . 1027 . 1 1 11 PRO CA C 10.286 3.261 1.434 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 5 . 1028 . 1 1 11 PRO CB C 11.410 2.324 1.888 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 5 . 1029 . 1 1 11 PRO CD C 9.451 0.978 1.623 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 5 . 1030 . 1 1 11 PRO CG C 10.949 0.963 1.491 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 5 . 1031 . 1 1 11 PRO HA H 10.180 4.070 2.145 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 5 . 1032 . 1 1 11 PRO HB3 H 11.537 2.403 2.957 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 1033 . 1 1 11 PRO HD3 H 9.154 0.647 2.608 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 5 . 1034 . 1 1 11 PRO HG3 H 11.376 0.226 2.155 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 5 . 1035 . 1 1 11 PRO N N 9.104 2.395 1.421 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 5 . 1036 . 1 1 11 PRO O O 11.269 4.863 -0.060 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 5 . 1037 . 1 1 12 ASP C C 9.476 4.839 -2.674 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 5 . 1038 . 1 1 12 ASP CA C 10.333 3.619 -2.353 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 5 . 1039 . 1 1 12 ASP CB C 10.023 2.490 -3.337 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 5 . 1040 . 1 1 12 ASP CG C 11.079 1.404 -3.321 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 5 . 1041 . 1 1 12 ASP H H 9.581 2.359 -0.825 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 5 . 1042 . 1 1 12 ASP HA H 11.372 3.890 -2.446 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 5 . 1043 . 1 1 12 ASP HB3 H 9.966 2.898 -4.336 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 1044 . 1 1 12 ASP N N 10.107 3.172 -0.983 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 5 . 1045 . 1 1 12 ASP O O 9.817 5.640 -3.542 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 5 . 1046 . 1 1 12 ASP OD1 O 10.859 0.351 -3.959 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 5 . 1047 . 1 1 12 ASP OD2 O 12.127 1.604 -2.674 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 5 . 1048 . 1 1 13 GLY C C 6.119 5.671 -2.733 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 5 . 1049 . 1 1 13 GLY CA C 7.468 6.099 -2.191 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 5 . 1050 . 1 1 13 GLY H H 8.136 4.306 -1.285 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 5 . 1051 . 1 1 13 GLY HA2 H 7.322 6.619 -1.257 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 5 . 1052 . 1 1 13 GLY HA3 H 7.932 6.773 -2.898 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 5 . 1053 . 1 1 13 GLY N N 8.357 4.975 -1.965 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 5 . 1054 . 1 1 13 GLY O O 5.517 6.377 -3.542 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 5 . 1055 . 1 1 14 ARG C C 3.490 3.590 -1.546 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 5 . 1056 . 1 1 14 ARG CA C 4.358 3.991 -2.737 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 5 . 1057 . 1 1 14 ARG CB C 4.566 2.788 -3.659 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 5 . 1058 . 1 1 14 ARG CD C 6.214 3.513 -5.412 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 5 . 1059 . 1 1 14 ARG CG C 4.764 3.167 -5.116 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 5 . 1060 . 1 1 14 ARG CZ C 6.729 2.197 -7.423 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 5 . 1061 . 1 1 14 ARG H H 6.171 3.997 -1.643 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 5 . 1062 . 1 1 14 ARG HA H 3.857 4.774 -3.285 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 5 . 1063 . 1 1 14 ARG HB3 H 3.702 2.144 -3.589 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 5 . 1064 . 1 1 14 ARG HD3 H 6.850 2.856 -4.839 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 5 . 1065 . 1 1 14 ARG HE H 6.610 4.187 -7.361 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 5 . 1066 . 1 1 14 ARG HG3 H 4.144 4.023 -5.343 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 5 . 1067 . 1 1 14 ARG HH11 H 6.414 1.108 -5.751 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 5 . 1068 . 1 1 14 ARG HH12 H 6.776 0.191 -7.177 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 5 . 1069 . 1 1 14 ARG HH21 H 7.089 2.993 -9.245 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 5 . 1070 . 1 1 14 ARG HH22 H 7.162 1.265 -9.163 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 5 . 1071 . 1 1 14 ARG N N 5.644 4.513 -2.288 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 5 . 1072 . 1 1 14 ARG NE N 6.536 3.369 -6.829 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 5 . 1073 . 1 1 14 ARG NH1 N 6.632 1.073 -6.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 5 . 1074 . 1 1 14 ARG NH2 N 7.016 2.147 -8.716 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 5 . 1075 . 1 1 14 ARG O O 3.755 2.589 -0.883 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 6 . 1076 . 1 1 1 CYS C C 0.274 3.259 -1.466 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 6 . 1077 . 1 1 1 CYS CA C 1.619 3.788 -0.979 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 6 . 1078 . 1 1 1 CYS CB C 1.434 5.156 -0.321 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 6 . 1079 . 1 1 1 CYS H1 H 2.240 4.087 -2.982 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 6 . 1080 . 1 1 1 CYS HA H 2.019 3.100 -0.252 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 6 . 1081 . 1 1 1 CYS HB3 H 0.466 5.189 0.158 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1082 . 1 1 1 CYS N N 2.570 3.882 -2.081 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 6 . 1083 . 1 1 1 CYS O O -0.289 3.761 -2.442 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 6 . 1084 . 1 1 1 CYS SG S 2.689 5.550 0.940 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 6 . 1085 . 1 1 2 THR C C -2.647 2.190 -0.273 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 6 . 1086 . 1 1 2 THR CA C -1.518 1.644 -1.142 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 6 . 1087 . 1 1 2 THR CB C -1.480 0.110 -1.011 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 6 . 1088 . 1 1 2 THR CG2 C -1.119 -0.538 -2.339 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 6 . 1089 . 1 1 2 THR H H 0.254 1.887 -0.012 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 6 . 1090 . 1 1 2 THR HA H -1.722 1.892 -2.175 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 6 . 1091 . 1 1 2 THR HB H -2.459 -0.235 -0.712 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 6 . 1092 . 1 1 2 THR HG1 H 0.360 -0.060 -0.321 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 6 . 1093 . 1 1 2 THR HG21 H -1.776 -1.375 -2.521 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 6 . 1094 . 1 1 2 THR HG22 H -0.097 -0.881 -2.305 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 6 . 1095 . 1 1 2 THR HG23 H -1.231 0.185 -3.134 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 6 . 1096 . 1 1 2 THR N N -0.241 2.242 -0.779 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 6 . 1097 . 1 1 2 THR O O -2.431 2.554 0.884 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 6 . 1098 . 1 1 2 THR OG1 O -0.526 -0.271 -0.014 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 6 . 1099 . 1 1 3 HIS C C -6.291 2.074 -0.609 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 6 . 1100 . 1 1 3 HIS CA C -5.013 2.739 -0.109 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 6 . 1101 . 1 1 3 HIS CB C -5.121 4.258 -0.260 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 6 . 1102 . 1 1 3 HIS CD2 C -3.797 5.315 1.703 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1103 . 1 1 3 HIS CE1 C -2.120 6.136 0.554 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1104 . 1 1 3 HIS CG C -4.006 5.005 0.403 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 6 . 1105 . 1 1 3 HIS H H -3.958 1.935 -1.760 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 6 . 1106 . 1 1 3 HIS HA H -4.880 2.498 0.935 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 6 . 1107 . 1 1 3 HIS HB3 H -6.052 4.589 0.178 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1108 . 1 1 3 HIS HD1 H -2.801 5.479 -1.260 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1109 . 1 1 3 HIS HD2 H -4.437 5.056 2.535 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1110 . 1 1 3 HIS HE1 H -1.200 6.637 0.295 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1111 . 1 1 3 HIS N N -3.849 2.239 -0.834 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 6 . 1112 . 1 1 3 HIS ND1 N -2.939 5.535 -0.293 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 6 . 1113 . 1 1 3 HIS NE2 N -2.618 6.016 1.771 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1114 . 1 1 3 HIS O O -6.617 2.143 -1.794 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 6 . 1115 . 1 1 4 . C C -8.322 -0.631 0.601 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 6 . 1116 . 1 1 4 . CA C -8.255 0.752 -0.045 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 6 . 1117 . 1 1 4 . CB C -9.457 1.589 0.395 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 6 . 1118 . 1 1 4 . CD1 C -9.506 3.040 -1.652 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1119 . 1 1 4 . CD2 C -9.611 4.092 0.485 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1120 . 1 1 4 . CE1 C -9.569 4.277 -2.267 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1121 . 1 1 4 . CE2 C -9.674 5.332 -0.124 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1122 . 1 1 4 . CG C -9.526 2.935 -0.270 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 6 . 1123 . 1 1 4 . CZ C -9.654 5.424 -1.502 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 6 . 1124 . 1 1 4 . H H -6.700 1.410 1.233 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 6 . 1125 . 1 1 4 . HA H -8.281 0.636 -1.118 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 6 . 1126 . 1 1 4 . HB2 H -9.406 1.750 1.461 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 6 . 1127 . 1 1 4 . HB3 H -10.365 1.055 0.158 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1128 . 1 1 4 . HD1 H -9.441 2.144 -2.252 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1129 . 1 1 4 . HD2 H -9.628 4.021 1.563 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1130 . 1 1 4 . HE1 H -9.552 4.347 -3.346 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1131 . 1 1 4 . HE2 H -9.740 6.226 0.478 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1132 . 1 1 4 . HZ H -9.704 6.391 -1.981 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 6 . 1133 . 1 1 4 . N N -7.014 1.429 0.303 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 6 . 1134 . 1 1 4 . O O -9.066 -0.847 1.555 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 6 . 1135 . 1 1 5 MMO C C -6.102 -3.285 1.078 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 6 . 1136 . 1 1 5 MMO CA C -7.504 -2.922 0.594 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 6 . 1137 . 1 1 5 MMO CB C -7.959 -3.914 -0.477 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 6 . 1138 . 1 1 5 MMO CD C -10.003 -4.992 -1.467 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 6 . 1139 . 1 1 5 MMO CG C -9.394 -3.706 -0.931 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 6 . 1140 . 1 1 5 MMO CN C -6.679 -1.213 -1.072 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 6 . 1141 . 1 1 5 MMO CZ C -10.774 -7.163 -0.607 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 6 . 1142 . 1 1 5 MMO HA H -8.183 -2.972 1.431 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 6 . 1143 . 1 1 5 MMO HC1 H -5.980 -0.431 -0.777 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 6 . 1144 . 1 1 5 MMO HC2 H -7.300 -0.851 -1.894 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 6 . 1145 . 1 1 5 MMO HC3 H -6.126 -2.094 -1.395 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 6 . 1146 . 1 1 5 MMO HCB1 H -7.314 -3.817 -1.338 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 6 . 1147 . 1 1 5 MMO HCB2 H -7.871 -4.915 -0.083 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 6 . 1148 . 1 1 5 MMO HCD1 H -10.895 -4.747 -2.022 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1149 . 1 1 5 MMO HCD2 H -9.288 -5.465 -2.123 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1150 . 1 1 5 MMO HCG1 H -9.982 -3.365 -0.091 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 6 . 1151 . 1 1 5 MMO HCG2 H -9.410 -2.958 -1.709 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 6 . 1152 . 1 1 5 MMO HH11 H -10.977 -7.604 1.357 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 6 . 1153 . 1 1 5 MMO HH12 H -11.390 -8.881 0.261 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 6 . 1154 . 1 1 5 MMO HH21 H -10.675 -7.031 -2.619 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 6 . 1155 . 1 1 5 MMO HH22 H -11.217 -8.556 -2.000 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 6 . 1156 . 1 1 5 MMO N N -7.535 -1.563 0.071 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 6 . 1157 . 1 1 5 MMO NE N -10.351 -5.921 -0.396 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 6 . 1158 . 1 1 5 MMO NH1 N -11.071 -7.946 0.422 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 6 . 1159 . 1 1 5 MMO NH2 N -10.899 -7.621 -1.844 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 6 . 1160 . 1 1 5 MMO O O -5.734 -4.459 1.118 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 6 . 1161 . 1 1 6 TRP C C -3.331 -1.169 2.360 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 6 . 1162 . 1 1 6 TRP CA C -3.965 -2.484 1.920 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 6 . 1163 . 1 1 6 TRP CB C -3.114 -3.135 0.831 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 6 . 1164 . 1 1 6 TRP CD1 C -1.232 -3.742 2.460 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1165 . 1 1 6 TRP CD2 C -1.576 -5.256 0.845 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1166 . 1 1 6 TRP CE2 C -0.525 -5.707 1.666 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1167 . 1 1 6 TRP CE3 C -1.973 -6.047 -0.237 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 6 . 1168 . 1 1 6 TRP CG C -2.014 -3.999 1.370 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 6 . 1169 . 1 1 6 TRP CH2 C -0.271 -7.664 0.368 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 6 . 1170 . 1 1 6 TRP CZ2 C 0.136 -6.911 1.436 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 6 . 1171 . 1 1 6 TRP CZ3 C -1.316 -7.241 -0.464 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 6 . 1172 . 1 1 6 TRP H H -5.676 -1.356 1.386 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 6 . 1173 . 1 1 6 TRP HA H -4.014 -3.149 2.770 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 6 . 1174 . 1 1 6 TRP HB3 H -2.664 -2.360 0.224 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1175 . 1 1 6 TRP HD1 H -1.317 -2.859 3.075 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1176 . 1 1 6 TRP HE1 H 0.336 -4.814 3.358 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1177 . 1 1 6 TRP HE3 H -2.775 -5.739 -0.891 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 6 . 1178 . 1 1 6 TRP HH2 H 0.214 -8.604 0.154 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 6 . 1179 . 1 1 6 TRP HZ2 H 0.942 -7.250 2.069 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 6 . 1180 . 1 1 6 TRP HZ3 H -1.606 -7.866 -1.297 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 6 . 1181 . 1 1 6 TRP N N -5.325 -2.270 1.442 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 6 . 1182 . 1 1 6 TRP NE1 N -0.332 -4.766 2.642 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1183 . 1 1 6 TRP O O -2.465 -0.614 1.686 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 6 . 1184 . 1 1 7 PRO C C -1.822 0.473 4.564 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 6 . 1185 . 1 1 7 PRO CA C -3.261 0.601 4.075 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 6 . 1186 . 1 1 7 PRO CB C -4.203 0.880 5.247 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 6 . 1187 . 1 1 7 PRO CD C -4.805 -1.262 4.375 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 6 . 1188 . 1 1 7 PRO CG C -4.721 -0.459 5.644 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 6 . 1189 . 1 1 7 PRO HA H -3.324 1.407 3.359 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 6 . 1190 . 1 1 7 PRO HB3 H -5.000 1.533 4.926 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1191 . 1 1 7 PRO HD3 H -5.782 -1.163 3.929 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 6 . 1192 . 1 1 7 PRO HG3 H -5.700 -0.356 6.086 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 6 . 1193 . 1 1 7 PRO N N -3.771 -0.656 3.518 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 6 . 1194 . 1 1 7 PRO O O -1.579 0.143 5.726 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 6 . 1195 . 1 1 8 ILE C C 1.367 1.639 3.195 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 6 . 1196 . 1 1 8 ILE CA C 0.542 0.656 4.018 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 6 . 1197 . 1 1 8 ILE CB C 1.092 -0.767 3.799 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 6 . 1198 . 1 1 8 ILE CD1 C 1.654 -2.448 1.971 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1199 . 1 1 8 ILE CG1 C 0.886 -1.198 2.345 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 6 . 1200 . 1 1 8 ILE CG2 C 0.418 -1.746 4.748 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 6 . 1201 . 1 1 8 ILE H H -1.128 0.997 2.763 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 6 . 1202 . 1 1 8 ILE HA H 0.645 0.903 5.065 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 6 . 1203 . 1 1 8 ILE HB H 2.148 -0.758 4.019 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 6 . 1204 . 1 1 8 ILE HD11 H 1.846 -3.031 2.860 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 6 . 1205 . 1 1 8 ILE HD12 H 1.073 -3.032 1.275 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 6 . 1206 . 1 1 8 ILE HD13 H 2.592 -2.169 1.514 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 6 . 1207 . 1 1 8 ILE HG13 H 1.211 -0.401 1.693 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 6 . 1208 . 1 1 8 ILE HG21 H -0.648 -1.731 4.583 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 6 . 1209 . 1 1 8 ILE HG22 H 0.796 -2.742 4.565 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 6 . 1210 . 1 1 8 ILE HG23 H 0.630 -1.464 5.768 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 6 . 1211 . 1 1 8 ILE N N -0.872 0.739 3.674 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 6 . 1212 . 1 1 8 ILE O O 0.903 2.157 2.179 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 6 . 1213 . 1 1 9 CYS C C 4.889 2.224 2.826 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 6 . 1214 . 1 1 9 CYS CA C 3.485 2.812 2.945 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 6 . 1215 . 1 1 9 CYS CB C 3.544 4.152 3.682 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 6 . 1216 . 1 1 9 CYS H H 2.907 1.447 4.456 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 6 . 1217 . 1 1 9 CYS HA H 3.089 2.972 1.953 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 6 . 1218 . 1 1 9 CYS HB3 H 4.542 4.554 3.604 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1219 . 1 1 9 CYS N N 2.594 1.891 3.640 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 6 . 1220 . 1 1 9 CYS O O 5.398 1.611 3.764 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 6 . 1221 . 1 1 9 CYS SG S 2.391 5.407 3.034 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 6 . 1222 . 1 1 10 PHE C C 7.863 3.047 1.353 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 6 . 1223 . 1 1 10 PHE CA C 6.852 1.905 1.422 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 6 . 1224 . 1 1 10 PHE CB C 6.887 1.100 0.123 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 6 . 1225 . 1 1 10 PHE CD1 C 7.182 -1.132 1.230 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1226 . 1 1 10 PHE CD2 C 5.507 -0.917 -0.453 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1227 . 1 1 10 PHE CE1 C 6.845 -2.462 1.401 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1228 . 1 1 10 PHE CE2 C 5.165 -2.245 -0.287 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1229 . 1 1 10 PHE CG C 6.517 -0.345 0.303 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 6 . 1230 . 1 1 10 PHE CZ C 5.836 -3.020 0.639 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 6 . 1231 . 1 1 10 PHE H H 5.049 2.915 0.956 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 6 . 1232 . 1 1 10 PHE HA H 7.112 1.258 2.245 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 6 . 1233 . 1 1 10 PHE HB3 H 7.882 1.140 -0.292 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1234 . 1 1 10 PHE HD1 H 7.973 -0.697 1.827 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1235 . 1 1 10 PHE HD2 H 4.982 -0.313 -1.179 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1236 . 1 1 10 PHE HE1 H 7.371 -3.065 2.125 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 6 . 1237 . 1 1 10 PHE HE2 H 4.377 -2.679 -0.882 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 6 . 1238 . 1 1 10 PHE HZ H 5.572 -4.058 0.771 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 6 . 1239 . 1 1 10 PHE N N 5.509 2.416 1.665 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 6 . 1240 . 1 1 10 PHE O O 7.514 4.207 1.137 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 6 . 1241 . 1 1 11 PRO C C 10.484 4.230 0.103 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 6 . 1242 . 1 1 11 PRO CA C 10.236 3.689 1.508 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 6 . 1243 . 1 1 11 PRO CB C 11.448 2.892 1.996 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 6 . 1244 . 1 1 11 PRO CD C 9.635 1.344 1.807 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 6 . 1245 . 1 1 11 PRO CG C 11.127 1.476 1.666 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 6 . 1246 . 1 1 11 PRO HA H 10.051 4.514 2.182 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 6 . 1247 . 1 1 11 PRO HB3 H 11.571 3.032 3.060 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1248 . 1 1 11 PRO HD3 H 9.377 1.031 2.808 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 6 . 1249 . 1 1 11 PRO HG3 H 11.629 0.815 2.357 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 6 . 1250 . 1 1 11 PRO N N 9.146 2.709 1.543 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 6 . 1251 . 1 1 11 PRO O O 10.805 5.406 -0.073 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 6 . 1252 . 1 1 12 ASP C C 9.652 4.944 -2.651 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 6 . 1253 . 1 1 12 ASP CA C 10.538 3.757 -2.284 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 6 . 1254 . 1 1 12 ASP CB C 10.248 2.579 -3.215 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 6 . 1255 . 1 1 12 ASP CG C 8.928 1.906 -2.901 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 6 . 1256 . 1 1 12 ASP H H 10.077 2.442 -0.689 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 6 . 1257 . 1 1 12 ASP HA H 11.572 4.047 -2.396 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 6 . 1258 . 1 1 12 ASP HB3 H 11.037 1.848 -3.118 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1259 . 1 1 12 ASP N N 10.334 3.365 -0.893 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 6 . 1260 . 1 1 12 ASP O O 9.978 5.720 -3.547 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 6 . 1261 . 1 1 12 ASP OD1 O 8.949 0.789 -2.340 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 6 . 1262 . 1 1 12 ASP OD2 O 7.870 2.493 -3.217 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 6 . 1263 . 1 1 13 GLY C C 6.311 5.697 -2.830 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 6 . 1264 . 1 1 13 GLY CA C 7.615 6.171 -2.219 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 6 . 1265 . 1 1 13 GLY H H 8.323 4.427 -1.246 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 6 . 1266 . 1 1 13 GLY HA2 H 7.400 6.680 -1.291 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 6 . 1267 . 1 1 13 GLY HA3 H 8.089 6.863 -2.899 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 6 . 1268 . 1 1 13 GLY N N 8.531 5.077 -1.951 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 6 . 1269 . 1 1 13 GLY O O 5.605 6.470 -3.479 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 6 . 1270 . 1 1 14 ARG C C 3.823 3.425 -2.043 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 6 . 1271 . 1 1 14 ARG CA C 4.765 3.849 -3.166 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 6 . 1272 . 1 1 14 ARG CB C 5.088 2.647 -4.056 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 6 . 1273 . 1 1 14 ARG CD C 4.538 1.531 -6.240 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 6 . 1274 . 1 1 14 ARG CG C 3.994 2.321 -5.058 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 6 . 1275 . 1 1 14 ARG CZ C 2.522 1.311 -7.628 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 6 . 1276 . 1 1 14 ARG H H 6.593 3.857 -2.102 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 6 . 1277 . 1 1 14 ARG HA H 4.277 4.606 -3.762 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 6 . 1278 . 1 1 14 ARG HB3 H 5.241 1.781 -3.429 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 6 . 1279 . 1 1 14 ARG HD3 H 5.300 0.855 -5.883 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 6 . 1280 . 1 1 14 ARG HE H 3.523 -0.215 -6.821 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 6 . 1281 . 1 1 14 ARG HG3 H 3.562 3.241 -5.419 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 6 . 1282 . 1 1 14 ARG HH11 H 3.145 3.208 -7.330 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 6 . 1283 . 1 1 14 ARG HH12 H 1.725 3.038 -8.308 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 6 . 1284 . 1 1 14 ARG HH21 H 1.653 -0.450 -8.107 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 6 . 1285 . 1 1 14 ARG HH22 H 0.876 0.957 -8.748 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 6 . 1286 . 1 1 14 ARG N N 5.990 4.424 -2.626 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 6 . 1287 . 1 1 14 ARG NE N 3.495 0.760 -6.911 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 6 . 1288 . 1 1 14 ARG NH1 N 2.457 2.627 -7.765 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 6 . 1289 . 1 1 14 ARG NH2 N 1.608 0.542 -8.208 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 6 . 1290 . 1 1 14 ARG O O 4.200 2.655 -1.160 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 7 . 1291 . 1 1 1 CYS C C 0.442 3.400 -1.431 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 7 . 1292 . 1 1 1 CYS CA C 1.804 3.784 -0.863 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 7 . 1293 . 1 1 1 CYS CB C 1.654 4.956 0.107 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 7 . 1294 . 1 1 1 CYS H1 H 2.640 4.991 -2.388 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 7 . 1295 . 1 1 1 CYS HA H 2.211 2.936 -0.330 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 7 . 1296 . 1 1 1 CYS HB3 H 1.134 4.617 0.990 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1297 . 1 1 1 CYS N N 2.736 4.128 -1.931 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 7 . 1298 . 1 1 1 CYS O O -0.068 4.049 -2.347 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 7 . 1299 . 1 1 1 CYS SG S 3.235 5.689 0.640 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 7 . 1300 . 1 1 2 THR C C -2.574 2.536 -0.557 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 7 . 1301 . 1 1 2 THR CA C -1.448 1.869 -1.337 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 7 . 1302 . 1 1 2 THR CB C -1.572 0.340 -1.193 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 7 . 1303 . 1 1 2 THR CG2 C -2.042 -0.289 -2.496 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 7 . 1304 . 1 1 2 THR H H 0.312 1.865 -0.158 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 7 . 1305 . 1 1 2 THR HA H -1.548 2.121 -2.382 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 7 . 1306 . 1 1 2 THR HB H -2.302 0.126 -0.423 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 7 . 1307 . 1 1 2 THR HG1 H -0.426 -1.150 -0.601 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 7 . 1308 . 1 1 2 THR HG21 H -1.748 0.338 -3.325 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 7 . 1309 . 1 1 2 THR HG22 H -3.118 -0.385 -2.483 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 7 . 1310 . 1 1 2 THR HG23 H -1.596 -1.265 -2.605 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 7 . 1311 . 1 1 2 THR N N -0.145 2.340 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 7 . 1312 . 1 1 2 THR O O -2.329 3.349 0.336 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 7 . 1313 . 1 1 2 THR OG1 O -0.310 -0.221 -0.812 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 7 . 1314 . 1 1 3 HIS C C -6.255 2.053 -0.678 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 7 . 1315 . 1 1 3 HIS CA C -4.977 2.751 -0.225 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 7 . 1316 . 1 1 3 HIS CB C -5.075 4.251 -0.503 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 7 . 1317 . 1 1 3 HIS CD2 C -5.768 4.611 -2.977 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1318 . 1 1 3 HIS CE1 C -3.828 5.256 -3.764 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1319 . 1 1 3 HIS CG C -4.890 4.606 -1.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 7 . 1320 . 1 1 3 HIS H H -3.943 1.534 -1.615 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 7 . 1321 . 1 1 3 HIS HA H -4.854 2.597 0.836 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 7 . 1322 . 1 1 3 HIS HB3 H -4.315 4.767 0.067 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1323 . 1 1 3 HIS HD1 H -2.845 5.113 -1.973 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1324 . 1 1 3 HIS HD2 H -6.816 4.343 -2.930 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1325 . 1 1 3 HIS HE1 H -3.049 5.591 -4.434 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1326 . 1 1 3 HIS N N -3.811 2.186 -0.895 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 7 . 1327 . 1 1 3 HIS ND1 N -3.683 5.014 -2.473 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 7 . 1328 . 1 1 3 HIS NE2 N -5.082 5.018 -4.095 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1329 . 1 1 3 HIS O O -6.594 2.063 -1.862 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 7 . 1330 . 1 1 4 . C C -8.237 -0.619 0.656 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 7 . 1331 . 1 1 4 . CA C -8.202 0.742 -0.032 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 7 . 1332 . 1 1 4 . CB C -9.406 1.579 0.406 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 7 . 1333 . 1 1 4 . CD1 C -11.224 0.031 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1334 . 1 1 4 . CD2 C -11.253 2.287 -1.137 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1335 . 1 1 4 . CE1 C -12.370 -0.234 -1.093 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1336 . 1 1 4 . CE2 C -12.399 2.029 -1.864 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1337 . 1 1 4 . CG C -10.652 1.293 -0.383 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 7 . 1338 . 1 1 4 . CZ C -12.958 0.766 -1.842 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 7 . 1339 . 1 1 4 . H H -6.640 1.472 1.196 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 7 . 1340 . 1 1 4 . HA H -8.247 0.594 -1.100 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 7 . 1341 . 1 1 4 . HB2 H -9.171 2.626 0.287 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 7 . 1342 . 1 1 4 . HB3 H -9.617 1.376 1.445 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1343 . 1 1 4 . HD1 H -10.763 -0.752 0.215 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1344 . 1 1 4 . HD2 H -10.817 3.276 -1.156 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1345 . 1 1 4 . HE1 H -12.806 -1.222 -1.074 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1346 . 1 1 4 . HE2 H -12.858 2.814 -2.450 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1347 . 1 1 4 . HZ H -13.855 0.562 -2.409 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 7 . 1348 . 1 1 4 . N N -6.961 1.446 0.269 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 7 . 1349 . 1 1 4 . O O -8.958 -0.814 1.636 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 7 . 1350 . 1 1 5 MMO C C -5.977 -3.236 1.159 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 7 . 1351 . 1 1 5 MMO CA C -7.393 -2.902 0.700 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 7 . 1352 . 1 1 5 MMO CB C -7.865 -3.932 -0.330 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 7 . 1353 . 1 1 5 MMO CD C -8.667 -6.269 -0.781 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 7 . 1354 . 1 1 5 MMO CG C -8.308 -5.248 0.288 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 7 . 1355 . 1 1 5 MMO CN C -6.625 -1.235 -1.035 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 7 . 1356 . 1 1 5 MMO CZ C -10.602 -6.895 -2.161 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 7 . 1357 . 1 1 5 MMO HA H -8.052 -2.933 1.556 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 7 . 1358 . 1 1 5 MMO HC1 H -7.266 -0.912 -1.855 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 7 . 1359 . 1 1 5 MMO HC2 H -6.068 -2.120 -1.340 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 7 . 1360 . 1 1 5 MMO HC3 H -5.930 -0.436 -0.779 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 7 . 1361 . 1 1 5 MMO HCB1 H -8.696 -3.517 -0.880 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 7 . 1362 . 1 1 5 MMO HCB2 H -7.054 -4.134 -1.013 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 7 . 1363 . 1 1 5 MMO HCD1 H -7.974 -6.169 -1.602 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1364 . 1 1 5 MMO HCD2 H -8.581 -7.259 -0.357 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1365 . 1 1 5 MMO HCG1 H -7.506 -5.642 0.891 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 7 . 1366 . 1 1 5 MMO HCG2 H -9.173 -5.070 0.907 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 7 . 1367 . 1 1 5 MMO HH11 H -12.345 -5.872 -2.215 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 7 . 1368 . 1 1 5 MMO HH12 H -12.277 -7.272 -3.231 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 7 . 1369 . 1 1 5 MMO HH21 H -9.007 -8.123 -2.327 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 7 . 1370 . 1 1 5 MMO HH22 H -10.378 -8.553 -3.296 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 7 . 1371 . 1 1 5 MMO N N -7.454 -1.559 0.137 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 7 . 1372 . 1 1 5 MMO NE N -10.027 -6.084 -1.281 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 7 . 1373 . 1 1 5 MMO NH1 N -11.843 -6.660 -2.570 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 7 . 1374 . 1 1 5 MMO NH2 N -9.942 -7.943 -2.633 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 7 . 1375 . 1 1 5 MMO O O -5.596 -4.404 1.230 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 7 . 1376 . 1 1 6 TRP C C -3.248 -1.081 2.449 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 7 . 1377 . 1 1 6 TRP CA C -3.826 -2.387 1.918 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 7 . 1378 . 1 1 6 TRP CB C -2.959 -2.915 0.771 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 7 . 1379 . 1 1 6 TRP CD1 C -2.065 -5.084 1.801 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1380 . 1 1 6 TRP CD2 C -3.173 -5.367 -0.124 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1381 . 1 1 6 TRP CE2 C -2.738 -6.626 0.333 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1382 . 1 1 6 TRP CE3 C -3.895 -5.296 -1.319 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 7 . 1383 . 1 1 6 TRP CG C -2.733 -4.394 0.830 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 7 . 1384 . 1 1 6 TRP CH2 C -3.710 -7.703 -1.532 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 7 . 1385 . 1 1 6 TRP CZ2 C -3.001 -7.802 -0.366 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 7 . 1386 . 1 1 6 TRP CZ3 C -4.155 -6.463 -2.011 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 7 . 1387 . 1 1 6 TRP H H -5.562 -1.295 1.389 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 7 . 1388 . 1 1 6 TRP HA H -3.835 -3.116 2.714 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 7 . 1389 . 1 1 6 TRP HB3 H -1.994 -2.427 0.808 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1390 . 1 1 6 TRP HD1 H -1.608 -4.627 2.666 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1391 . 1 1 6 TRP HE1 H -1.649 -7.128 2.054 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1392 . 1 1 6 TRP HE3 H -4.246 -4.349 -1.704 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 7 . 1393 . 1 1 6 TRP HH2 H -3.934 -8.590 -2.105 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 7 . 1394 . 1 1 6 TRP HZ2 H -2.665 -8.764 -0.010 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 7 . 1395 . 1 1 6 TRP HZ3 H -4.710 -6.429 -2.935 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 7 . 1396 . 1 1 6 TRP N N -5.201 -2.203 1.466 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 7 . 1397 . 1 1 6 TRP NE1 N -2.065 -6.427 1.508 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1398 . 1 1 6 TRP O O -2.433 -0.425 1.801 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 7 . 1399 . 1 1 7 PRO C C -1.755 0.449 4.745 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 7 . 1400 . 1 1 7 PRO CA C -3.213 0.538 4.307 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 7 . 1401 . 1 1 7 PRO CB C -4.131 0.665 5.526 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 7 . 1402 . 1 1 7 PRO CD C -4.648 -1.426 4.490 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 7 . 1403 . 1 1 7 PRO CG C -4.566 -0.728 5.820 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 7 . 1404 . 1 1 7 PRO HA H -3.344 1.398 3.665 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 7 . 1405 . 1 1 7 PRO HB3 H -4.973 1.298 5.284 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1406 . 1 1 7 PRO HD3 H -5.643 -1.344 4.082 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 7 . 1407 . 1 1 7 PRO HG3 H -5.534 -0.718 6.298 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 7 . 1408 . 1 1 7 PRO N N -3.676 -0.694 3.659 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 7 . 1409 . 1 1 7 PRO O O -1.463 0.251 5.923 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 7 . 1410 . 1 1 8 ILE C C 1.376 1.410 3.108 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 7 . 1411 . 1 1 8 ILE CA C 0.582 0.538 4.075 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 7 . 1412 . 1 1 8 ILE CB C 1.111 -0.906 3.998 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 7 . 1413 . 1 1 8 ILE CD1 C 1.627 -2.710 2.278 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1414 . 1 1 8 ILE CG1 C 0.752 -1.532 2.648 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 7 . 1415 . 1 1 8 ILE CG2 C 0.546 -1.737 5.140 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 7 . 1416 . 1 1 8 ILE H H -1.143 0.756 2.866 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 7 . 1417 . 1 1 8 ILE HA H 0.735 0.904 5.081 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 7 . 1418 . 1 1 8 ILE HB H 2.184 -0.878 4.101 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 7 . 1419 . 1 1 8 ILE HD11 H 1.102 -3.630 2.489 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 7 . 1420 . 1 1 8 ILE HD12 H 1.867 -2.663 1.225 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 7 . 1421 . 1 1 8 ILE HD13 H 2.538 -2.675 2.856 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 7 . 1422 . 1 1 8 ILE HG13 H 0.855 -0.785 1.876 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 7 . 1423 . 1 1 8 ILE HG21 H 0.701 -1.220 6.074 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 7 . 1424 . 1 1 8 ILE HG22 H -0.512 -1.890 4.987 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 7 . 1425 . 1 1 8 ILE HG23 H 1.046 -2.694 5.172 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 7 . 1426 . 1 1 8 ILE N N -0.845 0.599 3.786 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 7 . 1427 . 1 1 8 ILE O O 0.968 1.619 1.966 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 7 . 1428 . 1 1 9 CYS C C 4.791 2.211 2.693 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 7 . 1429 . 1 1 9 CYS CA C 3.368 2.762 2.749 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 7 . 1430 . 1 1 9 CYS CB C 3.383 4.191 3.296 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 7 . 1431 . 1 1 9 CYS H H 2.787 1.711 4.492 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 7 . 1432 . 1 1 9 CYS HA H 2.959 2.774 1.750 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 7 . 1433 . 1 1 9 CYS HB3 H 3.802 4.182 4.291 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1434 . 1 1 9 CYS N N 2.515 1.914 3.573 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 7 . 1435 . 1 1 9 CYS O O 5.323 1.737 3.695 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 7 . 1436 . 1 1 9 CYS SG S 4.357 5.360 2.295 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 7 . 1437 . 1 1 10 PHE C C 7.763 2.934 1.376 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 7 . 1438 . 1 1 10 PHE CA C 6.758 1.788 1.325 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 7 . 1439 . 1 1 10 PHE CB C 6.875 1.049 -0.009 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 7 . 1440 . 1 1 10 PHE CD1 C 7.121 -1.235 1.000 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1441 . 1 1 10 PHE CD2 C 5.547 -0.941 -0.768 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1442 . 1 1 10 PHE CE1 C 6.784 -2.574 1.079 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1443 . 1 1 10 PHE CE2 C 5.205 -2.278 -0.693 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1444 . 1 1 10 PHE CG C 6.507 -0.404 0.077 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 7 . 1445 . 1 1 10 PHE CZ C 5.825 -3.095 0.233 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 7 . 1446 . 1 1 10 PHE H H 4.922 2.670 0.751 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 7 . 1447 . 1 1 10 PHE HA H 6.976 1.100 2.128 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 7 . 1448 . 1 1 10 PHE HB3 H 7.894 1.115 -0.360 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1449 . 1 1 10 PHE HD1 H 7.870 -0.829 1.662 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1450 . 1 1 10 PHE HD2 H 5.061 -0.301 -1.492 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1451 . 1 1 10 PHE HE1 H 7.269 -3.211 1.803 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 7 . 1452 . 1 1 10 PHE HE2 H 4.456 -2.681 -1.356 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 7 . 1453 . 1 1 10 PHE HZ H 5.561 -4.140 0.293 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 7 . 1454 . 1 1 10 PHE N N 5.399 2.280 1.514 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 7 . 1455 . 1 1 10 PHE O O 7.420 4.103 1.197 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 7 . 1456 . 1 1 11 PRO C C 10.446 4.192 0.346 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 7 . 1457 . 1 1 11 PRO CA C 10.118 3.580 1.704 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 7 . 1458 . 1 1 11 PRO CB C 11.304 2.764 2.223 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 7 . 1459 . 1 1 11 PRO CD C 9.518 1.221 1.849 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 7 . 1460 . 1 1 11 PRO CG C 11.015 1.365 1.803 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 7 . 1461 . 1 1 11 PRO HA H 9.886 4.367 2.407 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 7 . 1462 . 1 1 11 PRO HB3 H 11.363 2.849 3.297 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1463 . 1 1 11 PRO HD3 H 9.203 0.856 2.815 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 7 . 1464 . 1 1 11 PRO HG3 H 11.478 0.672 2.490 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 7 . 1465 . 1 1 11 PRO N N 9.037 2.594 1.625 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 7 . 1466 . 1 1 11 PRO O O 10.885 5.340 0.262 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 7 . 1467 . 1 1 12 ASP C C 9.612 5.080 -2.418 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 7 . 1468 . 1 1 12 ASP CA C 10.498 3.889 -2.066 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 7 . 1469 . 1 1 12 ASP CB C 10.278 2.759 -3.073 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 7 . 1470 . 1 1 12 ASP CG C 11.038 2.977 -4.365 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 7 . 1471 . 1 1 12 ASP H H 9.877 2.515 -0.581 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 7 . 1472 . 1 1 12 ASP HA H 11.532 4.200 -2.110 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 7 . 1473 . 1 1 12 ASP HB3 H 9.225 2.690 -3.303 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1474 . 1 1 12 ASP N N 10.229 3.421 -0.712 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 7 . 1475 . 1 1 12 ASP O O 10.071 6.055 -3.012 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 7 . 1476 . 1 1 12 ASP OD1 O 10.614 2.428 -5.404 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 7 . 1477 . 1 1 12 ASP OD2 O 12.058 3.697 -4.339 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 7 . 1478 . 1 1 13 GLY C C 5.999 5.565 -2.581 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 7 . 1479 . 1 1 13 GLY CA C 7.406 6.068 -2.333 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 7 . 1480 . 1 1 13 GLY H H 8.028 4.191 -1.576 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 7 . 1481 . 1 1 13 GLY HA2 H 7.393 6.750 -1.495 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 7 . 1482 . 1 1 13 GLY HA3 H 7.746 6.599 -3.210 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 7 . 1483 . 1 1 13 GLY N N 8.338 4.992 -2.047 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 7 . 1484 . 1 1 13 GLY O O 5.024 6.227 -2.220 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 7 . 1485 . 1 1 14 ARG C C 3.849 3.446 -2.214 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 7 . 1486 . 1 1 14 ARG CA C 4.589 3.807 -3.498 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 7 . 1487 . 1 1 14 ARG CB C 4.759 2.558 -4.369 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 7 . 1488 . 1 1 14 ARG CD C 6.467 3.203 -6.096 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 7 . 1489 . 1 1 14 ARG CG C 5.006 2.872 -5.835 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 7 . 1490 . 1 1 14 ARG CZ C 7.840 4.090 -7.932 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 7 . 1491 . 1 1 14 ARG H H 6.704 3.915 -3.462 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 7 . 1492 . 1 1 14 ARG HA H 4.011 4.539 -4.040 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 7 . 1493 . 1 1 14 ARG HB3 H 3.862 1.961 -4.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 7 . 1494 . 1 1 14 ARG HD3 H 7.069 2.346 -5.834 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 7 . 1495 . 1 1 14 ARG HE H 5.997 3.354 -8.139 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 7 . 1496 . 1 1 14 ARG HG3 H 4.397 3.716 -6.122 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 7 . 1497 . 1 1 14 ARG HH11 H 8.715 4.146 -6.114 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 7 . 1498 . 1 1 14 ARG HH12 H 9.671 4.768 -7.419 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 7 . 1499 . 1 1 14 ARG HH21 H 7.247 4.170 -9.864 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 7 . 1500 . 1 1 14 ARG HH22 H 8.834 4.782 -9.550 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 7 . 1501 . 1 1 14 ARG N N 5.890 4.395 -3.199 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 7 . 1502 . 1 1 14 ARG NE N 6.711 3.542 -7.495 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 7 . 1503 . 1 1 14 ARG NH1 N 8.823 4.358 -7.085 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 7 . 1504 . 1 1 14 ARG NH2 N 7.985 4.370 -9.222 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 7 . 1505 . 1 1 14 ARG O O 4.326 2.638 -1.416 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 8 . 1506 . 1 1 1 CYS C C 0.199 3.287 -1.504 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 8 . 1507 . 1 1 1 CYS CA C 1.538 3.760 -0.946 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 8 . 1508 . 1 1 1 CYS CB C 1.325 4.982 -0.048 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 8 . 1509 . 1 1 1 CYS H1 H 2.172 4.676 -2.747 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 8 . 1510 . 1 1 1 CYS HA H 1.971 2.966 -0.360 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 8 . 1511 . 1 1 1 CYS HB3 H 0.461 5.527 -0.396 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1512 . 1 1 1 CYS N N 2.465 4.080 -2.026 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 8 . 1513 . 1 1 1 CYS O O -0.357 3.898 -2.416 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 8 . 1514 . 1 1 1 CYS SG S 1.060 4.575 1.708 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 8 . 1515 . 1 1 2 THR C C -2.750 2.234 -0.603 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 8 . 1516 . 1 1 2 THR CA C -1.587 1.636 -1.389 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 8 . 1517 . 1 1 2 THR CB C -1.612 0.103 -1.238 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 8 . 1518 . 1 1 2 THR CG2 C -0.579 -0.547 -2.143 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 8 . 1519 . 1 1 2 THR H H 0.178 1.751 -0.225 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 8 . 1520 . 1 1 2 THR HA H -1.711 1.877 -2.435 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 8 . 1521 . 1 1 2 THR HB H -2.592 -0.254 -1.519 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 8 . 1522 . 1 1 2 THR HG1 H -1.715 -1.132 0.297 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 8 . 1523 . 1 1 2 THR HG21 H 0.239 -0.922 -1.545 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 8 . 1524 . 1 1 2 THR HG22 H -0.205 0.183 -2.845 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 8 . 1525 . 1 1 2 THR HG23 H -1.033 -1.364 -2.680 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 8 . 1526 . 1 1 2 THR N N -0.314 2.193 -0.947 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 8 . 1527 . 1 1 2 THR O O -2.600 2.605 0.561 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 8 . 1528 . 1 1 2 THR OG1 O -1.356 -0.256 0.125 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 8 . 1529 . 1 1 3 HIS C C -6.343 2.090 -1.011 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 8 . 1530 . 1 1 3 HIS CA C -5.098 2.873 -0.609 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 8 . 1531 . 1 1 3 HIS CB C -5.266 4.348 -0.981 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 8 . 1532 . 1 1 3 HIS CD2 C -6.071 4.944 1.412 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1533 . 1 1 3 HIS CE1 C -5.676 7.100 1.353 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1534 . 1 1 3 HIS CG C -5.558 5.232 0.192 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 8 . 1535 . 1 1 3 HIS H H -3.964 2.011 -2.175 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 8 . 1536 . 1 1 3 HIS HA H -4.968 2.795 0.459 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 8 . 1537 . 1 1 3 HIS HB3 H -6.083 4.444 -1.681 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1538 . 1 1 3 HIS HD1 H -4.950 7.104 -0.559 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1539 . 1 1 3 HIS HD2 H -6.373 3.969 1.767 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1540 . 1 1 3 HIS HE1 H -5.603 8.140 1.637 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1541 . 1 1 3 HIS N N -3.908 2.323 -1.249 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 8 . 1542 . 1 1 3 HIS ND1 N -5.322 6.590 0.189 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 8 . 1543 . 1 1 3 HIS NE2 N -6.134 6.122 2.115 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1544 . 1 1 3 HIS O O -6.588 1.861 -2.197 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 8 . 1545 . 1 1 4 . C C -8.425 -0.298 0.643 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 8 . 1546 . 1 1 4 . CA C -8.346 0.921 -0.269 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 8 . 1547 . 1 1 4 . CB C -9.575 1.809 -0.063 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 8 . 1548 . 1 1 4 . CD1 C -9.759 2.853 -2.338 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1549 . 1 1 4 . CD2 C -9.490 4.287 -0.451 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1550 . 1 1 4 . CE1 C -9.792 3.954 -3.173 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1551 . 1 1 4 . CE2 C -9.521 5.392 -1.281 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1552 . 1 1 4 . CG C -9.610 3.007 -0.968 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 8 . 1553 . 1 1 4 . CZ C -9.670 5.225 -2.645 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 8 . 1554 . 1 1 4 . H H -6.876 1.894 0.905 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 8 . 1555 . 1 1 4 . HA H -8.323 0.588 -1.296 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 8 . 1556 . 1 1 4 . HB2 H -9.586 2.166 0.958 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 8 . 1557 . 1 1 4 . HB3 H -10.465 1.228 -0.246 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1558 . 1 1 4 . HD1 H -9.854 1.859 -2.752 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1559 . 1 1 4 . HD2 H -9.371 4.420 0.615 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1560 . 1 1 4 . HE1 H -9.909 3.820 -4.237 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1561 . 1 1 4 . HE2 H -9.427 6.384 -0.865 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1562 . 1 1 4 . HZ H -9.697 6.086 -3.296 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 8 . 1563 . 1 1 4 . N N -7.126 1.681 -0.018 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 8 . 1564 . 1 1 4 . O O -9.211 -0.327 1.591 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 8 . 1565 . 1 1 5 MMO C C -6.180 -2.798 1.683 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 8 . 1566 . 1 1 5 MMO CA C -7.582 -2.525 1.146 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 8 . 1567 . 1 1 5 MMO CB C -8.060 -3.712 0.309 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 8 . 1568 . 1 1 5 MMO CD C -9.993 -5.084 -0.527 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 8 . 1569 . 1 1 5 MMO CG C -9.572 -3.833 0.232 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 8 . 1570 . 1 1 5 MMO CN C -6.702 -1.180 -0.799 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 8 . 1571 . 1 1 5 MMO CZ C -10.371 -5.799 -2.847 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 8 . 1572 . 1 1 5 MMO HA H -8.255 -2.390 1.980 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 8 . 1573 . 1 1 5 MMO HC1 H -6.132 -2.102 -0.916 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 8 . 1574 . 1 1 5 MMO HC2 H -6.015 -0.347 -0.634 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 8 . 1575 . 1 1 5 MMO HC3 H -7.284 -0.995 -1.702 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 8 . 1576 . 1 1 5 MMO HCB1 H -7.677 -3.607 -0.695 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 8 . 1577 . 1 1 5 MMO HCB2 H -7.669 -4.620 0.741 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 8 . 1578 . 1 1 5 MMO HCD1 H -9.270 -5.862 -0.338 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1579 . 1 1 5 MMO HCD2 H -10.962 -5.398 -0.164 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1580 . 1 1 5 MMO HCG1 H -9.974 -3.881 1.234 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 8 . 1581 . 1 1 5 MMO HCG2 H -9.969 -2.965 -0.274 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 8 . 1582 . 1 1 5 MMO HH11 H -10.248 -4.574 -4.452 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 8 . 1583 . 1 1 5 MMO HH12 H -10.648 -6.221 -4.803 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 8 . 1584 . 1 1 5 MMO HH21 H -10.569 -7.259 -1.466 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 8 . 1585 . 1 1 5 MMO HH22 H -10.832 -7.749 -3.106 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 8 . 1586 . 1 1 5 MMO N N -7.607 -1.302 0.353 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 8 . 1587 . 1 1 5 MMO NE N -10.077 -4.850 -1.964 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 8 . 1588 . 1 1 5 MMO NH1 N -10.427 -5.507 -4.141 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 8 . 1589 . 1 1 5 MMO NH2 N -10.609 -7.036 -2.440 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 8 . 1590 . 1 1 5 MMO O O -5.279 -3.166 0.930 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 8 . 1591 . 1 1 6 TRP C C -3.649 -1.913 3.042 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 8 . 1592 . 1 1 6 TRP CA C -4.712 -2.838 3.623 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 8 . 1593 . 1 1 6 TRP CB C -4.285 -4.296 3.454 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 8 . 1594 . 1 1 6 TRP CD1 C -3.977 -5.401 5.744 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1595 . 1 1 6 TRP CD2 C -5.894 -5.935 4.715 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1596 . 1 1 6 TRP CE2 C -5.848 -6.604 5.953 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1597 . 1 1 6 TRP CE3 C -7.006 -6.118 3.891 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 8 . 1598 . 1 1 6 TRP CG C -4.687 -5.173 4.600 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 8 . 1599 . 1 1 6 TRP CH2 C -7.953 -7.602 5.560 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 8 . 1600 . 1 1 6 TRP CZ2 C -6.872 -7.441 6.386 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 8 . 1601 . 1 1 6 TRP CZ3 C -8.023 -6.950 4.320 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 8 . 1602 . 1 1 6 TRP H H -6.762 -2.316 3.534 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 8 . 1603 . 1 1 6 TRP HA H -4.822 -2.626 4.677 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 8 . 1604 . 1 1 6 TRP HB3 H -3.208 -4.340 3.361 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1605 . 1 1 6 TRP HD1 H -3.014 -4.965 5.960 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1606 . 1 1 6 TRP HE1 H -4.368 -6.577 7.441 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1607 . 1 1 6 TRP HE3 H -7.079 -5.625 2.933 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 8 . 1608 . 1 1 6 TRP HH2 H -8.769 -8.242 5.855 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 8 . 1609 . 1 1 6 TRP HZ2 H -6.833 -7.949 7.338 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 8 . 1610 . 1 1 6 TRP HZ3 H -8.892 -7.104 3.698 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 8 . 1611 . 1 1 6 TRP N N -6.006 -2.612 2.986 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 8 . 1612 . 1 1 6 TRP NE1 N -4.668 -6.262 6.564 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1613 . 1 1 6 TRP O O -2.787 -2.328 2.268 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 8 . 1614 . 1 1 7 PRO C C -1.363 0.179 3.522 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 8 . 1615 . 1 1 7 PRO CA C -2.760 0.384 2.947 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 8 . 1616 . 1 1 7 PRO CB C -3.359 1.699 3.454 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 8 . 1617 . 1 1 7 PRO CD C -4.714 -0.062 4.340 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 8 . 1618 . 1 1 7 PRO CG C -4.178 1.311 4.638 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 8 . 1619 . 1 1 7 PRO HA H -2.705 0.403 1.868 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 8 . 1620 . 1 1 7 PRO HB3 H -3.969 2.141 2.682 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1621 . 1 1 7 PRO HD3 H -5.680 0.006 3.861 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 8 . 1622 . 1 1 7 PRO HG3 H -4.990 2.010 4.766 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 8 . 1623 . 1 1 7 PRO N N -3.710 -0.627 3.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 8 . 1624 . 1 1 7 PRO O O -1.197 0.017 4.732 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 8 . 1625 . 1 1 8 ILE C C 1.920 1.094 2.496 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 8 . 1626 . 1 1 8 ILE CA C 1.021 0.006 3.072 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 8 . 1627 . 1 1 8 ILE CB C 1.563 -1.370 2.646 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 8 . 1628 . 1 1 8 ILE CD1 C 3.637 -2.848 2.671 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1629 . 1 1 8 ILE CG1 C 3.025 -1.521 3.068 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 8 . 1630 . 1 1 8 ILE CG2 C 1.420 -1.554 1.143 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 8 . 1631 . 1 1 8 ILE H H -0.558 0.322 1.699 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 8 . 1632 . 1 1 8 ILE HA H 1.051 0.063 4.151 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 8 . 1633 . 1 1 8 ILE HB H 0.973 -2.132 3.134 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 8 . 1634 . 1 1 8 ILE HD11 H 4.679 -2.861 2.949 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 8 . 1635 . 1 1 8 ILE HD12 H 3.118 -3.649 3.174 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 8 . 1636 . 1 1 8 ILE HD13 H 3.548 -2.978 1.600 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 8 . 1637 . 1 1 8 ILE HG13 H 3.093 -1.434 4.144 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 8 . 1638 . 1 1 8 ILE HG21 H 0.887 -2.473 0.940 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 8 . 1639 . 1 1 8 ILE HG22 H 0.868 -0.722 0.729 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 8 . 1640 . 1 1 8 ILE HG23 H 2.398 -1.599 0.689 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 8 . 1641 . 1 1 8 ILE N N -0.362 0.189 2.649 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 8 . 1642 . 1 1 8 ILE O O 1.869 1.390 1.301 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 8 . 1643 . 1 1 9 CYS C C 5.102 2.241 2.918 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 8 . 1644 . 1 1 9 CYS CA C 3.659 2.741 2.928 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 8 . 1645 . 1 1 9 CYS CB C 3.536 3.954 3.852 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 8 . 1646 . 1 1 9 CYS H H 2.743 1.408 4.291 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 8 . 1647 . 1 1 9 CYS HA H 3.387 3.035 1.926 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 8 . 1648 . 1 1 9 CYS HB3 H 4.496 4.446 3.921 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1649 . 1 1 9 CYS N N 2.747 1.686 3.351 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 8 . 1650 . 1 1 9 CYS O O 5.629 1.812 3.943 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 8 . 1651 . 1 1 9 CYS SG S 2.316 5.189 3.301 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 8 . 1652 . 1 1 10 PHE C C 8.066 3.042 1.526 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 8 . 1653 . 1 1 10 PHE CA C 7.113 1.852 1.603 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 8 . 1654 . 1 1 10 PHE CB C 7.261 0.985 0.351 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 8 . 1655 . 1 1 10 PHE CD1 C 7.615 -1.169 1.591 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1656 . 1 1 10 PHE CD2 C 6.028 -1.135 -0.189 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1657 . 1 1 10 PHE CE1 C 7.342 -2.505 1.815 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1658 . 1 1 10 PHE CE2 C 5.752 -2.470 0.028 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1659 . 1 1 10 PHE CG C 6.962 -0.468 0.589 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 8 . 1660 . 1 1 10 PHE CZ C 6.410 -3.158 1.032 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 8 . 1661 . 1 1 10 PHE H H 5.259 2.652 0.966 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 8 . 1662 . 1 1 10 PHE HA H 7.362 1.260 2.471 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 8 . 1663 . 1 1 10 PHE HB3 H 8.275 1.060 -0.013 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1664 . 1 1 10 PHE HD1 H 8.345 -0.659 2.204 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1665 . 1 1 10 PHE HD2 H 5.514 -0.599 -0.973 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1666 . 1 1 10 PHE HE1 H 7.857 -3.038 2.598 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 8 . 1667 . 1 1 10 PHE HE2 H 5.022 -2.978 -0.585 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 8 . 1668 . 1 1 10 PHE HZ H 6.194 -4.201 1.203 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 8 . 1669 . 1 1 10 PHE N N 5.731 2.299 1.749 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 8 . 1670 . 1 1 10 PHE O O 7.669 4.169 1.231 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 8 . 1671 . 1 1 11 PRO C C 10.685 4.305 0.355 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 8 . 1672 . 1 1 11 PRO CA C 10.390 3.821 1.768 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 8 . 1673 . 1 1 11 PRO CB C 11.614 3.118 2.360 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 8 . 1674 . 1 1 11 PRO CD C 9.898 1.466 2.160 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 8 . 1675 . 1 1 11 PRO CG C 11.385 1.671 2.089 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 8 . 1676 . 1 1 11 PRO HA H 10.125 4.666 2.389 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 8 . 1677 . 1 1 11 PRO HB3 H 11.672 3.316 3.419 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1678 . 1 1 11 PRO HD3 H 9.604 1.189 3.162 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 8 . 1679 . 1 1 11 PRO HG3 H 11.882 1.074 2.839 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 8 . 1680 . 1 1 11 PRO N N 9.354 2.786 1.800 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 8 . 1681 . 1 1 11 PRO O O 11.331 5.336 0.161 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 8 . 1682 . 1 1 12 ASP C C 9.518 5.072 -2.441 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 8 . 1683 . 1 1 12 ASP CA C 10.417 3.910 -2.032 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 8 . 1684 . 1 1 12 ASP CB C 10.150 2.701 -2.931 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 8 . 1685 . 1 1 12 ASP CG C 8.848 2.002 -2.589 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 8 . 1686 . 1 1 12 ASP H H 9.698 2.746 -0.416 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 8 . 1687 . 1 1 12 ASP HA H 11.448 4.209 -2.147 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 8 . 1688 . 1 1 12 ASP HB3 H 10.957 1.992 -2.823 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1689 . 1 1 12 ASP N N 10.206 3.555 -0.634 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 8 . 1690 . 1 1 12 ASP O O 9.866 5.858 -3.322 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 8 . 1691 . 1 1 12 ASP OD1 O 8.898 0.811 -2.212 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 8 . 1692 . 1 1 12 ASP OD2 O 7.783 2.643 -2.700 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 8 . 1693 . 1 1 13 GLY C C 6.016 5.739 -2.305 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 8 . 1694 . 1 1 13 GLY CA C 7.430 6.244 -2.107 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 8 . 1695 . 1 1 13 GLY H H 8.138 4.520 -1.100 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 8 . 1696 . 1 1 13 GLY HA2 H 7.437 6.958 -1.296 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 8 . 1697 . 1 1 13 GLY HA3 H 7.755 6.736 -3.011 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 8 . 1698 . 1 1 13 GLY N N 8.362 5.175 -1.795 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 8 . 1699 . 1 1 13 GLY O O 5.058 6.352 -1.830 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 8 . 1700 . 1 1 14 ARG C C 3.782 3.864 -1.979 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 8 . 1701 . 1 1 14 ARG CA C 4.571 4.035 -3.271 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 8 . 1702 . 1 1 14 ARG CB C 4.723 2.684 -3.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 8 . 1703 . 1 1 14 ARG CD C 5.561 1.419 -5.977 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 8 . 1704 . 1 1 14 ARG CG C 5.592 2.739 -5.218 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 8 . 1705 . 1 1 14 ARG CZ C 6.022 0.588 -8.244 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 8 . 1706 . 1 1 14 ARG H H 6.681 4.176 -3.360 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 8 . 1707 . 1 1 14 ARG HA H 4.032 4.709 -3.923 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 8 . 1708 . 1 1 14 ARG HB3 H 3.745 2.327 -4.256 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 8 . 1709 . 1 1 14 ARG HD3 H 4.578 0.984 -5.876 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 8 . 1710 . 1 1 14 ARG HE H 5.937 2.514 -7.732 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 8 . 1711 . 1 1 14 ARG HG3 H 6.609 2.954 -4.929 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 8 . 1712 . 1 1 14 ARG HH11 H 5.718 -0.849 -6.856 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 8 . 1713 . 1 1 14 ARG HH12 H 6.043 -1.422 -8.459 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 8 . 1714 . 1 1 14 ARG HH21 H 6.367 1.772 -9.846 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 8 . 1715 . 1 1 14 ARG HH22 H 6.414 0.071 -10.158 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 8 . 1716 . 1 1 14 ARG N N 5.882 4.619 -3.010 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 8 . 1717 . 1 1 14 ARG NE N 5.858 1.597 -7.395 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 8 . 1718 . 1 1 14 ARG NH1 N 5.920 -0.663 -7.818 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 8 . 1719 . 1 1 14 ARG NH2 N 6.291 0.830 -9.522 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 8 . 1720 . 1 1 14 ARG O O 4.357 3.616 -0.917 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 9 . 1721 . 1 1 1 CYS C C 0.327 3.507 -1.863 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 9 . 1722 . 1 1 1 CYS CA C 1.638 3.751 -1.123 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 9 . 1723 . 1 1 1 CYS CB C 1.454 4.866 -0.091 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 9 . 1724 . 1 1 1 CYS H1 H 2.483 4.601 -2.868 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 9 . 1725 . 1 1 1 CYS HA H 1.924 2.844 -0.614 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 9 . 1726 . 1 1 1 CYS HB3 H 0.852 4.494 0.725 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1727 . 1 1 1 CYS N N 2.704 4.099 -2.056 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 9 . 1728 . 1 1 1 CYS O O 0.088 4.067 -2.933 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 9 . 1729 . 1 1 1 CYS SG S 3.013 5.495 0.610 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 9 . 1730 . 1 1 2 THR C C -2.962 2.700 -0.956 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 9 . 1731 . 1 1 2 THR CA C -1.812 2.343 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 9 . 1732 . 1 1 2 THR CB C -1.905 0.849 -2.253 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 9 . 1733 . 1 1 2 THR CG2 C -2.057 -0.003 -1.002 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 9 . 1734 . 1 1 2 THR H H -0.277 2.248 -0.433 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 9 . 1735 . 1 1 2 THR HA H -1.906 2.919 -2.799 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 9 . 1736 . 1 1 2 THR HB H -0.997 0.559 -2.759 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 9 . 1737 . 1 1 2 THR HG1 H -2.741 0.758 -4.035 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 9 . 1738 . 1 1 2 THR HG21 H -1.656 0.530 -0.152 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 9 . 1739 . 1 1 2 THR HG22 H -1.518 -0.931 -1.132 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 9 . 1740 . 1 1 2 THR HG23 H -3.101 -0.213 -0.836 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 9 . 1741 . 1 1 2 THR N N -0.523 2.664 -1.286 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 9 . 1742 . 1 1 2 THR O O -2.760 3.340 0.078 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 9 . 1743 . 1 1 2 THR OG1 O -3.017 0.625 -3.126 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 9 . 1744 . 1 1 3 HIS C C -6.528 1.699 -0.968 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 9 . 1745 . 1 1 3 HIS CA C -5.353 2.559 -0.517 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 9 . 1746 . 1 1 3 HIS CB C -5.724 4.042 -0.608 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 9 . 1747 . 1 1 3 HIS CD2 C -4.496 5.836 0.806 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1748 . 1 1 3 HIS CE1 C -5.450 5.427 2.738 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1749 . 1 1 3 HIS CG C -5.375 4.821 0.622 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 9 . 1750 . 1 1 3 HIS H H -4.265 1.779 -2.159 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 9 . 1751 . 1 1 3 HIS HA H -5.117 2.319 0.507 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 9 . 1752 . 1 1 3 HIS HB3 H -6.789 4.129 -0.767 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1753 . 1 1 3 HIS HD1 H -6.633 3.912 2.044 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1754 . 1 1 3 HIS HD2 H -3.863 6.280 0.051 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1755 . 1 1 3 HIS HE1 H -5.716 5.479 3.784 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1756 . 1 1 3 HIS N N -4.167 2.283 -1.324 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 9 . 1757 . 1 1 3 HIS ND1 N -5.953 4.590 1.850 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 9 . 1758 . 1 1 3 HIS NE2 N -4.564 6.196 2.130 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1759 . 1 1 3 HIS O O -6.688 1.421 -2.155 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 9 . 1760 . 1 1 4 . C C -8.749 -0.570 0.799 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 9 . 1761 . 1 1 4 . CA C -8.512 0.452 -0.308 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 9 . 1762 . 1 1 4 . CB C -9.755 1.325 -0.487 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 9 . 1763 . 1 1 4 . CD1 C -9.846 1.770 -2.955 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1764 . 1 1 4 . CD2 C -9.427 3.603 -1.488 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1765 . 1 1 4 . CE1 C -9.769 2.619 -4.043 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1766 . 1 1 4 . CE2 C -9.351 4.457 -2.571 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1767 . 1 1 4 . CG C -9.673 2.252 -1.667 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 9 . 1768 . 1 1 4 . CZ C -9.522 3.965 -3.851 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 9 . 1769 . 1 1 4 . H H -7.169 1.536 0.918 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 9 . 1770 . 1 1 4 . HA H -8.316 -0.072 -1.231 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 9 . 1771 . 1 1 4 . HB2 H -9.894 1.928 0.399 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 9 . 1772 . 1 1 4 . HB3 H -10.617 0.689 -0.621 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1773 . 1 1 4 . HD1 H -10.037 0.716 -3.106 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1774 . 1 1 4 . HD2 H -9.292 3.989 -0.488 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1775 . 1 1 4 . HE1 H -9.905 2.232 -5.041 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1776 . 1 1 4 . HE2 H -9.159 5.509 -2.418 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1777 . 1 1 4 . HZ H -9.464 4.630 -4.698 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 9 . 1778 . 1 1 4 . N N -7.350 1.280 -0.011 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 9 . 1779 . 1 1 4 . O O -9.675 -0.432 1.599 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 9 . 1780 . 1 1 5 MMO C C -6.688 -2.873 2.549 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 9 . 1781 . 1 1 5 MMO CA C -8.023 -2.642 1.848 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 9 . 1782 . 1 1 5 MMO CB C -8.507 -3.945 1.209 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 9 . 1783 . 1 1 5 MMO CD C -9.527 -5.673 2.723 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 9 . 1784 . 1 1 5 MMO CG C -9.792 -4.481 1.816 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 9 . 1785 . 1 1 5 MMO CN C -6.829 -1.679 -0.157 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 9 . 1786 . 1 1 5 MMO CZ C -8.260 -7.778 2.608 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 9 . 1787 . 1 1 5 MMO HA H -8.749 -2.319 2.578 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 9 . 1788 . 1 1 5 MMO HC1 H -7.261 -1.713 -1.158 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 9 . 1789 . 1 1 5 MMO HC2 H -6.245 -2.583 0.015 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 9 . 1790 . 1 1 5 MMO HC3 H -6.184 -0.807 -0.068 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 9 . 1791 . 1 1 5 MMO HCB1 H -8.673 -3.776 0.156 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 9 . 1792 . 1 1 5 MMO HCB2 H -7.739 -4.696 1.328 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 9 . 1793 . 1 1 5 MMO HCD1 H -8.879 -5.358 3.526 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1794 . 1 1 5 MMO HCD2 H -10.467 -6.013 3.130 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1795 . 1 1 5 MMO HCG1 H -10.260 -3.699 2.395 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 9 . 1796 . 1 1 5 MMO HCG2 H -10.455 -4.785 1.019 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 9 . 1797 . 1 1 5 MMO HH11 H -7.768 -8.720 0.889 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 9 . 1798 . 1 1 5 MMO HH12 H -7.232 -9.497 2.341 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 9 . 1799 . 1 1 5 MMO HH21 H -8.596 -7.086 4.476 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 9 . 1800 . 1 1 5 MMO HH22 H -7.703 -8.569 4.383 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 9 . 1801 . 1 1 5 MMO N N -7.907 -1.597 0.839 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 9 . 1802 . 1 1 5 MMO NE N -8.892 -6.776 2.005 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 9 . 1803 . 1 1 5 MMO NH1 N -7.708 -8.744 1.887 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 9 . 1804 . 1 1 5 MMO NH2 N -8.178 -7.813 3.930 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 9 . 1805 . 1 1 5 MMO O O -5.833 -3.606 2.055 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 9 . 1806 . 1 1 6 TRP C C -4.066 -2.091 3.606 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 9 . 1807 . 1 1 6 TRP CA C -5.285 -2.374 4.477 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 9 . 1808 . 1 1 6 TRP CB C -5.185 -3.780 5.073 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 9 . 1809 . 1 1 6 TRP CD1 C -5.349 -4.080 7.614 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1810 . 1 1 6 TRP CD2 C -7.327 -3.925 6.575 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1811 . 1 1 6 TRP CE2 C -7.554 -4.087 7.956 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1812 . 1 1 6 TRP CE3 C -8.425 -3.803 5.722 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 9 . 1813 . 1 1 6 TRP CG C -5.909 -3.922 6.378 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 9 . 1814 . 1 1 6 TRP CH2 C -9.895 -4.008 7.639 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 9 . 1815 . 1 1 6 TRP CZ2 C -8.837 -4.129 8.499 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 9 . 1816 . 1 1 6 TRP CZ3 C -9.697 -3.848 6.261 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 9 . 1817 . 1 1 6 TRP H H -7.235 -1.668 4.050 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 9 . 1818 . 1 1 6 TRP HA H -5.317 -1.653 5.279 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 9 . 1819 . 1 1 6 TRP HB3 H -4.144 -4.016 5.242 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1820 . 1 1 6 TRP HD1 H -4.285 -4.118 7.798 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1821 . 1 1 6 TRP HE1 H -6.183 -4.294 9.529 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1822 . 1 1 6 TRP HE3 H -8.294 -3.679 4.656 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 9 . 1823 . 1 1 6 TRP HH2 H -10.905 -4.040 8.017 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 9 . 1824 . 1 1 6 TRP HZ2 H -9.003 -4.252 9.558 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 9 . 1825 . 1 1 6 TRP HZ3 H -10.559 -3.757 5.615 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 9 . 1826 . 1 1 6 TRP N N -6.518 -2.240 3.706 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 9 . 1827 . 1 1 6 TRP NE1 N -6.333 -4.178 8.569 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1828 . 1 1 6 TRP O O -3.239 -2.966 3.350 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 9 . 1829 . 1 1 7 PRO C C -1.513 -0.355 3.057 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 9 . 1830 . 1 1 7 PRO CA C -2.832 -0.409 2.292 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 9 . 1831 . 1 1 7 PRO CB C -3.247 0.993 1.841 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 9 . 1832 . 1 1 7 PRO CD C -4.897 0.257 3.406 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 9 . 1833 . 1 1 7 PRO CG C -4.172 1.474 2.904 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 9 . 1834 . 1 1 7 PRO HA H -2.721 -1.050 1.430 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 9 . 1835 . 1 1 7 PRO HB3 H -3.742 0.934 0.883 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1836 . 1 1 7 PRO HD3 H -5.815 0.111 2.858 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 9 . 1837 . 1 1 7 PRO HG3 H -4.873 2.182 2.486 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 9 . 1838 . 1 1 7 PRO N N -3.948 -0.838 3.140 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 9 . 1839 . 1 1 7 PRO O O -1.455 -0.687 4.240 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 9 . 1840 . 1 1 8 ILE C C 1.682 1.285 2.348 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 9 . 1841 . 1 1 8 ILE CA C 0.862 0.171 2.988 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 9 . 1842 . 1 1 8 ILE CB C 1.639 -1.154 2.873 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 9 . 1843 . 1 1 8 ILE CD1 C 1.655 -1.004 0.331 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1844 . 1 1 8 ILE CG1 C 1.323 -1.845 1.544 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 9 . 1845 . 1 1 8 ILE CG2 C 1.305 -2.067 4.042 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 9 . 1846 . 1 1 8 ILE H H -0.566 0.321 1.432 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 9 . 1847 . 1 1 8 ILE HA H 0.725 0.393 4.036 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 9 . 1848 . 1 1 8 ILE HB H 2.695 -0.931 2.912 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 9 . 1849 . 1 1 8 ILE HD11 H 2.671 -0.642 0.412 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 9 . 1850 . 1 1 8 ILE HD12 H 1.553 -1.602 -0.561 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 9 . 1851 . 1 1 8 ILE HD13 H 0.980 -0.162 0.281 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 9 . 1852 . 1 1 8 ILE HG13 H 0.266 -2.075 1.511 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 9 . 1853 . 1 1 8 ILE HG21 H 0.699 -2.890 3.694 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 9 . 1854 . 1 1 8 ILE HG22 H 2.218 -2.451 4.474 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 9 . 1855 . 1 1 8 ILE HG23 H 0.760 -1.510 4.790 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 9 . 1856 . 1 1 8 ILE N N -0.455 0.069 2.372 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 9 . 1857 . 1 1 8 ILE O O 1.262 1.896 1.366 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 9 . 1858 . 1 1 9 CYS C C 5.180 2.082 2.307 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 9 . 1859 . 1 1 9 CYS CA C 3.742 2.582 2.397 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 9 . 1860 . 1 1 9 CYS CB C 3.678 3.823 3.289 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 9 . 1861 . 1 1 9 CYS H H 3.142 1.021 3.693 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 9 . 1862 . 1 1 9 CYS HA H 3.404 2.845 1.405 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 9 . 1863 . 1 1 9 CYS HB3 H 4.465 3.768 4.026 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1864 . 1 1 9 CYS N N 2.859 1.544 2.911 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 9 . 1865 . 1 1 9 CYS O O 5.724 1.549 3.276 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 9 . 1866 . 1 1 9 CYS SG S 3.865 5.397 2.393 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 9 . 1867 . 1 1 10 PHE C C 8.148 2.930 1.268 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 9 . 1868 . 1 1 10 PHE CA C 7.164 1.817 0.922 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 9 . 1869 . 1 1 10 PHE CB C 7.359 1.379 -0.531 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 9 . 1870 . 1 1 10 PHE CD1 C 7.589 -1.066 -0.017 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1871 . 1 1 10 PHE CD2 C 6.103 -0.409 -1.762 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1872 . 1 1 10 PHE CE1 C 7.271 -2.393 -0.243 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1873 . 1 1 10 PHE CE2 C 5.780 -1.734 -1.991 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1874 . 1 1 10 PHE CG C 7.011 -0.062 -0.776 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 9 . 1875 . 1 1 10 PHE CZ C 6.363 -2.726 -1.227 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 9 . 1876 . 1 1 10 PHE H H 5.303 2.681 0.405 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 9 . 1877 . 1 1 10 PHE HA H 7.349 0.974 1.572 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 9 . 1878 . 1 1 10 PHE HB3 H 8.393 1.522 -0.806 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1879 . 1 1 10 PHE HD1 H 8.299 -0.806 0.755 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1880 . 1 1 10 PHE HD2 H 5.645 0.366 -2.359 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1881 . 1 1 10 PHE HE1 H 7.727 -3.166 0.356 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 9 . 1882 . 1 1 10 PHE HE2 H 5.069 -1.991 -2.763 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 9 . 1883 . 1 1 10 PHE HZ H 6.113 -3.762 -1.406 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 9 . 1884 . 1 1 10 PHE N N 5.789 2.253 1.139 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 9 . 1885 . 1 1 10 PHE O O 7.797 4.109 1.324 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 9 . 1886 . 1 1 11 PRO C C 10.859 4.389 0.669 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 9 . 1887 . 1 1 11 PRO CA C 10.474 3.498 1.846 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 9 . 1888 . 1 1 11 PRO CB C 11.647 2.596 2.241 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 9 . 1889 . 1 1 11 PRO CD C 9.904 1.161 1.453 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 9 . 1890 . 1 1 11 PRO CG C 11.397 1.317 1.517 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 9 . 1891 . 1 1 11 PRO HA H 10.197 4.118 2.688 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 9 . 1892 . 1 1 11 PRO HB3 H 11.651 2.449 3.309 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1893 . 1 1 11 PRO HD3 H 9.545 0.596 2.301 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 9 . 1894 . 1 1 11 PRO HG3 H 11.837 0.495 2.062 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 9 . 1895 . 1 1 11 PRO N N 9.412 2.549 1.504 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 9 . 1896 . 1 1 11 PRO O O 11.177 5.565 0.847 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 9 . 1897 . 1 1 12 ASP C C 10.141 5.651 -2.018 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 9 . 1898 . 1 1 12 ASP CA C 11.171 4.563 -1.738 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 9 . 1899 . 1 1 12 ASP CB C 11.271 3.615 -2.934 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 9 . 1900 . 1 1 12 ASP CG C 11.374 4.357 -4.253 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 9 . 1901 . 1 1 12 ASP H H 10.565 2.878 -0.607 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 9 . 1902 . 1 1 12 ASP HA H 12.132 5.029 -1.578 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 9 . 1903 . 1 1 12 ASP HB3 H 10.393 2.987 -2.962 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1904 . 1 1 12 ASP N N 10.828 3.821 -0.530 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 9 . 1905 . 1 1 12 ASP O O 10.439 6.651 -2.668 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 9 . 1906 . 1 1 12 ASP OD1 O 10.657 3.979 -5.202 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 9 . 1907 . 1 1 12 ASP OD2 O 12.171 5.315 -4.334 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 9 . 1908 . 1 1 13 GLY C C 6.757 5.885 -2.625 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 9 . 1909 . 1 1 13 GLY CA C 7.864 6.416 -1.736 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 9 . 1910 . 1 1 13 GLY H H 8.741 4.630 -1.014 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 9 . 1911 . 1 1 13 GLY HA2 H 7.445 6.688 -0.779 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 9 . 1912 . 1 1 13 GLY HA3 H 8.287 7.299 -2.194 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 9 . 1913 . 1 1 13 GLY N N 8.922 5.446 -1.526 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 9 . 1914 . 1 1 13 GLY O O 6.527 6.406 -3.717 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 9 . 1915 . 1 1 14 ARG C C 3.949 3.620 -1.991 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 9 . 1916 . 1 1 14 ARG CA C 4.988 4.241 -2.921 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 9 . 1917 . 1 1 14 ARG CB C 5.536 3.177 -3.874 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 9 . 1918 . 1 1 14 ARG CD C 6.485 2.630 -6.135 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 9 . 1919 . 1 1 14 ARG CG C 5.901 3.717 -5.246 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 9 . 1920 . 1 1 14 ARG CZ C 4.759 2.383 -7.869 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 9 . 1921 . 1 1 14 ARG H H 6.307 4.474 -1.283 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 9 . 1922 . 1 1 14 ARG HA H 4.516 5.020 -3.500 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 9 . 1923 . 1 1 14 ARG HB3 H 4.792 2.405 -3.999 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 9 . 1924 . 1 1 14 ARG HD3 H 7.048 1.945 -5.520 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 9 . 1925 . 1 1 14 ARG HE H 5.257 0.975 -6.548 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 9 . 1926 . 1 1 14 ARG HG3 H 6.628 4.506 -5.131 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 9 . 1927 . 1 1 14 ARG HH11 H 5.694 4.175 -7.849 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 9 . 1928 . 1 1 14 ARG HH12 H 4.475 3.987 -9.065 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 9 . 1929 . 1 1 14 ARG HH21 H 3.651 0.716 -8.146 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 9 . 1930 . 1 1 14 ARG HH22 H 3.312 2.019 -9.233 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 9 . 1931 . 1 1 14 ARG N N 6.074 4.845 -2.158 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 9 . 1932 . 1 1 14 ARG NE N 5.449 1.888 -6.848 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 9 . 1933 . 1 1 14 ARG NH1 N 4.995 3.617 -8.296 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 9 . 1934 . 1 1 14 ARG NH2 N 3.831 1.646 -8.465 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 9 . 1935 . 1 1 14 ARG O O 4.221 2.624 -1.319 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 10 . 1936 . 1 1 1 CYS C C 0.200 3.296 -1.601 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 10 . 1937 . 1 1 1 CYS CA C 1.534 3.733 -1.004 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 10 . 1938 . 1 1 1 CYS CB C 1.329 4.962 -0.115 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 10 . 1939 . 1 1 1 CYS H1 H 2.206 4.509 -2.856 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 10 . 1940 . 1 1 1 CYS HA H 1.928 2.928 -0.404 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 10 . 1941 . 1 1 1 CYS HB3 H 0.535 5.567 -0.527 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 1942 . 1 1 1 CYS N N 2.501 4.024 -2.055 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 10 . 1943 . 1 1 1 CYS O O -0.227 3.802 -2.637 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 10 . 1944 . 1 1 1 CYS SG S 0.889 4.568 1.609 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 10 . 1945 . 1 1 2 THR C C -2.895 2.484 -0.637 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 10 . 1946 . 1 1 2 THR CA C -1.741 1.840 -1.400 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 10 . 1947 . 1 1 2 THR CB C -1.829 0.311 -1.244 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 10 . 1948 . 1 1 2 THR CG2 C -1.057 -0.392 -2.351 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 10 . 1949 . 1 1 2 THR H H -0.065 1.984 -0.116 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 10 . 1950 . 1 1 2 THR HA H -1.838 2.081 -2.449 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 10 . 1951 . 1 1 2 THR HB H -2.868 0.017 -1.310 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 10 . 1952 . 1 1 2 THR HG1 H -1.633 -0.962 0.249 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 10 . 1953 . 1 1 2 THR HG21 H -1.395 -0.030 -3.311 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 10 . 1954 . 1 1 2 THR HG22 H -1.222 -1.455 -2.288 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 10 . 1955 . 1 1 2 THR HG23 H -0.003 -0.183 -2.241 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 10 . 1956 . 1 1 2 THR N N -0.457 2.348 -0.937 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 10 . 1957 . 1 1 2 THR O O -2.695 3.089 0.417 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 10 . 1958 . 1 1 2 THR OG1 O -1.312 -0.084 0.029 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 10 . 1959 . 1 1 3 HIS C C -6.531 2.108 -0.896 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 10 . 1960 . 1 1 3 HIS CA C -5.289 2.919 -0.546 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 10 . 1961 . 1 1 3 HIS CB C -5.475 4.373 -0.979 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 10 . 1962 . 1 1 3 HIS CD2 C -4.605 6.024 0.822 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 10 . 1963 . 1 1 3 HIS CE1 C -2.661 6.489 -0.080 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 10 . 1964 . 1 1 3 HIS CG C -4.513 5.320 -0.330 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 10 . 1965 . 1 1 3 HIS H H -4.198 1.858 -2.018 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 10 . 1966 . 1 1 3 HIS HA H -5.143 2.886 0.524 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 10 . 1967 . 1 1 3 HIS HB3 H -6.477 4.692 -0.727 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 1968 . 1 1 3 HIS HD1 H -2.923 5.282 -1.712 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 10 . 1969 . 1 1 3 HIS HD2 H -5.438 6.021 1.511 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 10 . 1970 . 1 1 3 HIS HE1 H -1.684 6.911 -0.252 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 10 . 1971 . 1 1 3 HIS N N -4.102 2.351 -1.177 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 10 . 1972 . 1 1 3 HIS ND1 N -3.285 5.635 -0.872 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 10 . 1973 . 1 1 3 HIS NE2 N -3.443 6.743 0.956 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 10 . 1974 . 1 1 3 HIS O O -6.884 1.967 -2.067 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 10 . 1975 . 1 1 4 . C C -8.344 -0.506 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 10 . 1976 . 1 1 4 . CA C -8.395 0.776 -0.074 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 10 . 1977 . 1 1 4 . CB C -9.638 1.587 0.298 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 10 . 1978 . 1 1 4 . CD1 C -10.612 1.814 -2.004 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 10 . 1979 . 1 1 4 . CD2 C -10.244 3.794 -0.729 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 10 . 1980 . 1 1 4 . CE1 C -11.105 2.573 -3.048 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 10 . 1981 . 1 1 4 . CE2 C -10.736 4.560 -1.770 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 10 . 1982 . 1 1 4 . CG C -10.175 2.416 -0.834 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 10 . 1983 . 1 1 4 . CZ C -11.169 3.947 -2.930 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 10 . 1984 . 1 1 4 . H H -6.862 1.719 1.037 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 10 . 1985 . 1 1 4 . HA H -8.447 0.513 -1.120 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 10 . 1986 . 1 1 4 . HB2 H -9.394 2.256 1.111 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 10 . 1987 . 1 1 4 . HB3 H -10.419 0.912 0.616 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 1988 . 1 1 4 . HD1 H -10.563 0.737 -2.097 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 10 . 1989 . 1 1 4 . HD2 H -9.908 4.276 0.178 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 10 . 1990 . 1 1 4 . HE1 H -11.443 2.090 -3.953 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 10 . 1991 . 1 1 4 . HE2 H -10.785 5.635 -1.675 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 10 . 1992 . 1 1 4 . HZ H -11.554 4.543 -3.745 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 10 . 1993 . 1 1 4 . N N -7.192 1.573 0.126 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 10 . 1994 . 1 1 4 . O O -9.044 -0.636 1.757 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 10 . 1995 . 1 1 5 MMO C C -5.946 -2.877 1.571 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 10 . 1996 . 1 1 5 MMO CA C -7.363 -2.716 1.029 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 10 . 1997 . 1 1 5 MMO CB C -7.700 -3.879 0.094 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 10 . 1998 . 1 1 5 MMO CD C -8.908 -6.075 -0.084 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 10 . 1999 . 1 1 5 MMO CG C -8.122 -5.142 0.826 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 10 . 2000 . 1 1 5 MMO CN C -6.709 -1.200 -0.883 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 10 . 2001 . 1 1 5 MMO CZ C -8.565 -8.273 0.965 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 10 . 2002 . 1 1 5 MMO HA H -8.056 -2.717 1.856 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 10 . 2003 . 1 1 5 MMO HC1 H -7.374 -0.991 -1.722 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 10 . 2004 . 1 1 5 MMO HC2 H -6.108 -2.081 -1.107 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 10 . 2005 . 1 1 5 MMO HC3 H -6.053 -0.346 -0.717 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 10 . 2006 . 1 1 5 MMO HCB1 H -8.508 -3.581 -0.558 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 10 . 2007 . 1 1 5 MMO HCB2 H -6.831 -4.108 -0.502 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 10 . 2008 . 1 1 5 MMO HCD1 H -9.767 -5.544 -0.467 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2009 . 1 1 5 MMO HCD2 H -8.275 -6.374 -0.905 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 10 . 2010 . 1 1 5 MMO HCG1 H -7.240 -5.659 1.173 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 10 . 2011 . 1 1 5 MMO HCG2 H -8.739 -4.871 1.670 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 10 . 2012 . 1 1 5 MMO HH11 H -10.028 -9.364 1.831 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 10 . 2013 . 1 1 5 MMO HH12 H -8.454 -10.081 1.862 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 10 . 2014 . 1 1 5 MMO HH21 H -6.900 -7.433 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 10 . 2015 . 1 1 5 MMO HH22 H -6.673 -8.983 0.929 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 10 . 2016 . 1 1 5 MMO N N -7.508 -1.444 0.327 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 10 . 2017 . 1 1 5 MMO NE N -9.367 -7.270 0.623 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 10 . 2018 . 1 1 5 MMO NH1 N -9.057 -9.326 1.604 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 10 . 2019 . 1 1 5 MMO NH2 N -7.274 -8.226 0.668 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 10 . 2020 . 1 1 5 MMO O O -5.001 -3.095 0.813 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 10 . 2021 . 1 1 6 TRP C C -3.524 -1.868 2.998 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 10 . 2022 . 1 1 6 TRP CA C -4.506 -2.904 3.533 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 10 . 2023 . 1 1 6 TRP CB C -3.948 -4.313 3.314 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 10 . 2024 . 1 1 6 TRP CD1 C -3.550 -5.882 5.301 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2025 . 1 1 6 TRP CD2 C -5.683 -5.775 4.626 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 10 . 2026 . 1 1 6 TRP CE2 C -5.598 -6.665 5.717 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 10 . 2027 . 1 1 6 TRP CE3 C -6.929 -5.546 4.037 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 10 . 2028 . 1 1 6 TRP CG C -4.361 -5.285 4.378 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 10 . 2029 . 1 1 6 TRP CH2 C -7.922 -7.083 5.628 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 10 . 2030 . 1 1 6 TRP CZ2 C -6.713 -7.325 6.225 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 10 . 2031 . 1 1 6 TRP CZ3 C -8.034 -6.203 4.543 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 10 . 2032 . 1 1 6 TRP H H -6.598 -2.597 3.440 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 10 . 2033 . 1 1 6 TRP HA H -4.643 -2.741 4.591 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 10 . 2034 . 1 1 6 TRP HB3 H -2.870 -4.268 3.302 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2035 . 1 1 6 TRP HD1 H -2.484 -5.716 5.373 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2036 . 1 1 6 TRP HE1 H -3.932 -7.251 6.847 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 10 . 2037 . 1 1 6 TRP HE3 H -7.035 -4.874 3.201 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 10 . 2038 . 1 1 6 TRP HH2 H -8.812 -7.574 5.990 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 10 . 2039 . 1 1 6 TRP HZ2 H -6.643 -8.004 7.062 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 10 . 2040 . 1 1 6 TRP HZ3 H -9.006 -6.041 4.101 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 10 . 2041 . 1 1 6 TRP N N -5.807 -2.771 2.887 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 10 . 2042 . 1 1 6 TRP NE1 N -4.287 -6.712 6.109 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 10 . 2043 . 1 1 6 TRP O O -2.572 -2.190 2.285 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 10 . 2044 . 1 1 7 PRO C C -1.530 0.481 3.575 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 10 . 2045 . 1 1 7 PRO CA C -2.903 0.514 2.913 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 10 . 2046 . 1 1 7 PRO CB C -3.680 1.757 3.357 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 10 . 2047 . 1 1 7 PRO CD C -4.872 -0.139 4.193 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 10 . 2048 . 1 1 7 PRO CG C -4.518 1.290 4.496 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 10 . 2049 . 1 1 7 PRO HA H -2.783 0.526 1.838 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 10 . 2050 . 1 1 7 PRO HB3 H -4.290 2.115 2.540 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2051 . 1 1 7 PRO HD3 H -5.809 -0.190 3.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 10 . 2052 . 1 1 7 PRO HG3 H -5.414 1.890 4.563 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 10 . 2053 . 1 1 7 PRO N N -3.757 -0.596 3.348 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 10 . 2054 . 1 1 7 PRO O O -1.411 0.656 4.788 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 10 . 2055 . 1 1 8 ILE C C 1.756 1.231 2.582 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 10 . 2056 . 1 1 8 ILE CA C 0.869 0.204 3.279 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 10 . 2057 . 1 1 8 ILE CB C 1.485 -1.197 3.096 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 10 . 2058 . 1 1 8 ILE CD1 C 4.008 -0.945 2.882 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2059 . 1 1 8 ILE CG1 C 2.845 -1.275 3.792 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 10 . 2060 . 1 1 8 ILE CG2 C 1.619 -1.526 1.616 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 10 . 2061 . 1 1 8 ILE H H -0.655 0.127 1.813 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 10 . 2062 . 1 1 8 ILE HA H 0.841 0.426 4.336 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 10 . 2063 . 1 1 8 ILE HB H 0.818 -1.919 3.541 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 10 . 2064 . 1 1 8 ILE HD11 H 3.723 -0.153 2.205 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 10 . 2065 . 1 1 8 ILE HD12 H 4.851 -0.626 3.478 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 10 . 2066 . 1 1 8 ILE HD13 H 4.279 -1.823 2.313 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 10 . 2067 . 1 1 8 ILE HG13 H 2.990 -2.277 4.167 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 10 . 2068 . 1 1 8 ILE HG21 H 0.638 -1.649 1.184 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 10 . 2069 . 1 1 8 ILE HG22 H 2.133 -0.721 1.114 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 10 . 2070 . 1 1 8 ILE HG23 H 2.181 -2.440 1.501 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 10 . 2071 . 1 1 8 ILE N N -0.495 0.258 2.772 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 10 . 2072 . 1 1 8 ILE O O 1.596 1.501 1.392 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 10 . 2073 . 1 1 9 CYS C C 5.042 2.278 2.792 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 10 . 2074 . 1 1 9 CYS CA C 3.609 2.797 2.790 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 10 . 2075 . 1 1 9 CYS CB C 3.523 4.093 3.599 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 10 . 2076 . 1 1 9 CYS H H 2.773 1.543 4.276 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 10 . 2077 . 1 1 9 CYS HA H 3.313 2.999 1.772 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 10 . 2078 . 1 1 9 CYS HB3 H 4.474 4.600 3.554 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2079 . 1 1 9 CYS N N 2.693 1.800 3.334 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 10 . 2080 . 1 1 9 CYS O O 5.581 1.908 3.837 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 10 . 2081 . 1 1 9 CYS SG S 2.248 5.253 3.010 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 10 . 2082 . 1 1 10 PHE C C 8.014 2.943 1.482 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 10 . 2083 . 1 1 10 PHE CA C 7.031 1.775 1.479 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 10 . 2084 . 1 1 10 PHE CB C 7.188 0.965 0.192 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 10 . 2085 . 1 1 10 PHE CD1 C 7.457 -1.253 1.335 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2086 . 1 1 10 PHE CD2 C 5.912 -1.092 -0.475 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 10 . 2087 . 1 1 10 PHE CE1 C 7.146 -2.592 1.484 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 10 . 2088 . 1 1 10 PHE CE2 C 5.595 -2.429 -0.328 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 10 . 2089 . 1 1 10 PHE CG C 6.846 -0.489 0.353 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 10 . 2090 . 1 1 10 PHE CZ C 6.213 -3.180 0.654 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 10 . 2091 . 1 1 10 PHE H H 5.178 2.558 0.817 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 10 . 2092 . 1 1 10 PHE HA H 7.245 1.140 2.323 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 10 . 2093 . 1 1 10 PHE HB3 H 8.212 1.031 -0.146 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2094 . 1 1 10 PHE HD1 H 8.186 -0.795 1.986 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2095 . 1 1 10 PHE HD2 H 5.429 -0.505 -1.244 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 10 . 2096 . 1 1 10 PHE HE1 H 7.628 -3.175 2.254 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 10 . 2097 . 1 1 10 PHE HE2 H 4.866 -2.886 -0.980 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 10 . 2098 . 1 1 10 PHE HZ H 5.967 -4.224 0.769 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 10 . 2099 . 1 1 10 PHE N N 5.659 2.250 1.614 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 10 . 2100 . 1 1 10 PHE O O 7.652 4.092 1.229 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 10 . 2101 . 1 1 11 PRO C C 10.689 4.193 0.430 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 10 . 2102 . 1 1 11 PRO CA C 10.348 3.652 1.815 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 10 . 2103 . 1 1 11 PRO CB C 11.540 2.891 2.400 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 10 . 2104 . 1 1 11 PRO CD C 9.789 1.293 2.083 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 10 . 2105 . 1 1 11 PRO CG C 11.284 1.464 2.055 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 10 . 2106 . 1 1 11 PRO HA H 10.090 4.475 2.467 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 10 . 2107 . 1 1 11 PRO HB3 H 11.577 3.040 3.469 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2108 . 1 1 11 PRO HD3 H 9.464 0.979 3.063 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 10 . 2109 . 1 1 11 PRO HG3 H 11.748 0.822 2.790 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 10 . 2110 . 1 1 11 PRO N N 9.287 2.643 1.772 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 10 . 2111 . 1 1 11 PRO O O 11.301 5.254 0.300 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 10 . 2112 . 1 1 12 ASP C C 9.739 5.100 -2.342 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 10 . 2113 . 1 1 12 ASP CA C 10.554 3.863 -1.977 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 10 . 2114 . 1 1 12 ASP CB C 10.230 2.720 -2.940 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 10 . 2115 . 1 1 12 ASP CG C 10.547 3.069 -4.381 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 10 . 2116 . 1 1 12 ASP H H 9.809 2.622 -0.434 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 10 . 2117 . 1 1 12 ASP HA H 11.603 4.103 -2.058 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 10 . 2118 . 1 1 12 ASP HB3 H 9.176 2.488 -2.869 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2119 . 1 1 12 ASP N N 10.292 3.457 -0.601 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 10 . 2120 . 1 1 12 ASP O O 10.237 6.013 -3.004 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 10 . 2121 . 1 1 12 ASP OD1 O 10.043 2.374 -5.286 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 10 . 2122 . 1 1 12 ASP OD2 O 11.304 4.039 -4.603 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 10 . 2123 . 1 1 13 GLY C C 6.192 5.832 -2.487 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 10 . 2124 . 1 1 13 GLY CA C 7.619 6.255 -2.202 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 10 . 2125 . 1 1 13 GLY H H 8.139 4.371 -1.386 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 10 . 2126 . 1 1 13 GLY HA2 H 7.623 6.925 -1.356 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 10 . 2127 . 1 1 13 GLY HA3 H 8.008 6.777 -3.065 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 10 . 2128 . 1 1 13 GLY N N 8.482 5.125 -1.908 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 10 . 2129 . 1 1 13 GLY O O 5.266 6.638 -2.382 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 10 . 2130 . 1 1 14 ARG C C 3.825 3.973 -1.901 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 10 . 2131 . 1 1 14 ARG CA C 4.685 4.042 -3.159 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 10 . 2132 . 1 1 14 ARG CB C 4.797 2.653 -3.791 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 10 . 2133 . 1 1 14 ARG CD C 6.462 2.795 -5.669 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 10 . 2134 . 1 1 14 ARG CG C 4.991 2.681 -5.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 10 . 2135 . 1 1 14 ARG CZ C 7.186 0.490 -6.126 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 10 . 2136 . 1 1 14 ARG H H 6.788 3.975 -2.921 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 10 . 2137 . 1 1 14 ARG HA H 4.218 4.712 -3.866 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 10 . 2138 . 1 1 14 ARG HB3 H 3.896 2.100 -3.575 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 10 . 2139 . 1 1 14 ARG HD3 H 6.896 3.616 -5.119 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 10 . 2140 . 1 1 14 ARG HE H 7.732 1.562 -4.535 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 10 . 2141 . 1 1 14 ARG HG3 H 4.461 3.531 -5.703 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 10 . 2142 . 1 1 14 ARG HH11 H 5.950 1.283 -7.512 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 10 . 2143 . 1 1 14 ARG HH12 H 6.468 -0.339 -7.823 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 10 . 2144 . 1 1 14 ARG HH21 H 8.421 -0.577 -4.931 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 10 . 2145 . 1 1 14 ARG HH22 H 7.874 -1.398 -6.353 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 10 . 2146 . 1 1 14 ARG N N 6.010 4.568 -2.854 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 10 . 2147 . 1 1 14 ARG NE N 7.200 1.574 -5.356 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 10 . 2148 . 1 1 14 ARG NH1 N 6.476 0.477 -7.245 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 10 . 2149 . 1 1 14 ARG NH2 N 7.884 -0.583 -5.774 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 10 . 2150 . 1 1 14 ARG O O 4.343 3.933 -0.785 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 11 . 2151 . 1 1 1 CYS C C 0.112 3.054 -1.122 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 11 . 2152 . 1 1 1 CYS CA C 1.365 3.601 -0.442 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 11 . 2153 . 1 1 1 CYS CB C 0.986 4.741 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 11 . 2154 . 1 1 1 CYS H1 H 2.151 4.889 -1.926 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 11 . 2155 . 1 1 1 CYS HA H 1.825 2.809 0.128 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 11 . 2156 . 1 1 1 CYS HB3 H 0.182 5.313 0.065 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2157 . 1 1 1 CYS N N 2.333 4.064 -1.430 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 11 . 2158 . 1 1 1 CYS O O -0.231 3.459 -2.235 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 11 . 2159 . 1 1 1 CYS SG S 0.437 4.189 2.152 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 11 . 2160 . 1 1 2 THR C C -3.015 2.316 -0.573 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 11 . 2161 . 1 1 2 THR CA C -1.778 1.528 -0.986 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 11 . 2162 . 1 1 2 THR CB C -1.933 0.068 -0.521 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 11 . 2163 . 1 1 2 THR CG2 C -2.268 -0.842 -1.693 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 11 . 2164 . 1 1 2 THR H H -0.242 1.850 0.433 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 11 . 2165 . 1 1 2 THR HA H -1.703 1.533 -2.064 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 11 . 2166 . 1 1 2 THR HB H -2.742 0.019 0.195 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 11 . 2167 . 1 1 2 THR HG1 H -0.011 -0.369 -0.534 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 11 . 2168 . 1 1 2 THR HG21 H -3.330 -0.813 -1.881 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 11 . 2169 . 1 1 2 THR HG22 H -1.970 -1.853 -1.460 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 11 . 2170 . 1 1 2 THR HG23 H -1.738 -0.504 -2.573 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 11 . 2171 . 1 1 2 THR N N -0.565 2.132 -0.448 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 11 . 2172 . 1 1 2 THR O O -3.093 2.826 0.546 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 11 . 2173 . 1 1 2 THR OG1 O -0.726 -0.377 0.107 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 11 . 2174 . 1 1 3 HIS C C -6.433 2.248 -1.442 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 11 . 2175 . 1 1 3 HIS CA C -5.216 3.139 -1.209 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 11 . 2176 . 1 1 3 HIS CB C -5.306 4.386 -2.091 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 11 . 2177 . 1 1 3 HIS CD2 C -5.779 3.980 -4.609 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2178 . 1 1 3 HIS CE1 C -3.706 3.764 -5.293 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2179 . 1 1 3 HIS CG C -4.976 4.125 -3.529 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 11 . 2180 . 1 1 3 HIS H H -3.859 1.987 -2.354 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 11 . 2181 . 1 1 3 HIS HA H -5.201 3.443 -0.173 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 11 . 2182 . 1 1 3 HIS HB3 H -4.617 5.130 -1.721 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2183 . 1 1 3 HIS HD1 H -2.873 4.037 -3.446 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2184 . 1 1 3 HIS HD2 H -6.858 4.032 -4.618 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2185 . 1 1 3 HIS HE1 H -2.843 3.615 -5.925 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2186 . 1 1 3 HIS N N -3.981 2.414 -1.480 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 11 . 2187 . 1 1 3 HIS ND1 N -3.685 3.983 -3.990 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 11 . 2188 . 1 1 3 HIS NE2 N -4.966 3.757 -5.694 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2189 . 1 1 3 HIS O O -6.820 1.993 -2.583 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 11 . 2190 . 1 1 4 . C C -8.048 -0.308 0.463 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 11 . 2191 . 1 1 4 . CA C -8.204 0.914 -0.439 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 11 . 2192 . 1 1 4 . CB C -9.465 1.691 -0.051 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 11 . 2193 . 1 1 4 . CD1 C -11.760 0.752 0.333 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2194 . 1 1 4 . CD2 C -10.901 0.769 -1.890 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2195 . 1 1 4 . CE1 C -12.929 0.173 -0.122 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2196 . 1 1 4 . CE2 C -12.068 0.187 -2.350 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2197 . 1 1 4 . CG C -10.734 1.059 -0.547 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 11 . 2198 . 1 1 4 . CZ C -13.082 -0.111 -1.463 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 11 . 2199 . 1 1 4 . H H -6.676 2.015 0.529 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 11 . 2200 . 1 1 4 . HA H -8.297 0.581 -1.462 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 11 . 2201 . 1 1 4 . HB2 H -9.408 2.686 -0.465 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 11 . 2202 . 1 1 4 . HB3 H -9.522 1.754 1.026 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2203 . 1 1 4 . HD1 H -11.640 0.974 1.383 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2204 . 1 1 4 . HD2 H -10.106 1.002 -2.586 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2205 . 1 1 4 . HE1 H -13.723 -0.062 0.576 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2206 . 1 1 4 . HE2 H -12.184 -0.033 -3.401 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2207 . 1 1 4 . HZ H -13.996 -0.566 -1.820 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 11 . 2208 . 1 1 4 . N N -7.032 1.776 -0.353 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 11 . 2209 . 1 1 4 . O O -8.678 -0.398 1.516 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 11 . 2210 . 1 1 5 MMO C C -5.524 -2.511 1.309 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 11 . 2211 . 1 1 5 MMO CA C -6.965 -2.459 0.810 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 11 . 2212 . 1 1 5 MMO CB C -7.266 -3.694 -0.042 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 11 . 2213 . 1 1 5 MMO CD C -6.368 -5.603 -1.408 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 11 . 2214 . 1 1 5 MMO CG C -6.022 -4.455 -0.471 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 11 . 2215 . 1 1 5 MMO CN C -6.495 -1.049 -1.232 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 11 . 2216 . 1 1 5 MMO CZ C -8.236 -6.901 -0.477 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 11 . 2217 . 1 1 5 MMO HA H -7.627 -2.448 1.662 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 11 . 2218 . 1 1 5 MMO HC1 H -5.873 -0.156 -1.169 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 11 . 2219 . 1 1 5 MMO HC2 H -7.223 -0.930 -2.037 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 11 . 2220 . 1 1 5 MMO HC3 H -5.869 -1.917 -1.435 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 11 . 2221 . 1 1 5 MMO HCB1 H -7.894 -4.365 0.527 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 11 . 2222 . 1 1 5 MMO HCB2 H -7.795 -3.383 -0.928 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 11 . 2223 . 1 1 5 MMO HCD1 H -7.085 -5.252 -2.134 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2224 . 1 1 5 MMO HCD2 H -5.467 -5.918 -1.913 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2225 . 1 1 5 MMO HCG1 H -5.354 -3.778 -0.980 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 11 . 2226 . 1 1 5 MMO HCG2 H -5.535 -4.852 0.407 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 11 . 2227 . 1 1 5 MMO HH11 H -8.027 -8.648 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 11 . 2228 . 1 1 5 MMO HH12 H -9.656 -8.084 0.343 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 11 . 2229 . 1 1 5 MMO HH21 H -8.770 -5.196 -1.418 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 11 . 2230 . 1 1 5 MMO HH22 H -10.080 -6.120 -0.759 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 11 . 2231 . 1 1 5 MMO N N -7.204 -1.243 0.041 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 11 . 2232 . 1 1 5 MMO NE N -6.934 -6.742 -0.692 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 11 . 2233 . 1 1 5 MMO NH1 N -8.676 -7.965 0.182 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 11 . 2234 . 1 1 5 MMO NH2 N -9.099 -5.997 -0.921 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 11 . 2235 . 1 1 5 MMO O O -4.589 -2.198 0.571 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 11 . 2236 . 1 1 6 TRP C C -3.241 -1.706 2.950 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 11 . 2237 . 1 1 6 TRP CA C -4.025 -2.997 3.163 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 11 . 2238 . 1 1 6 TRP CB C -3.257 -4.179 2.569 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 11 . 2239 . 1 1 6 TRP CD1 C -2.505 -6.130 4.049 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2240 . 1 1 6 TRP CD2 C -4.660 -6.212 3.442 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2241 . 1 1 6 TRP CE2 C -4.376 -7.333 4.247 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2242 . 1 1 6 TRP CE3 C -5.956 -6.049 2.943 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 11 . 2243 . 1 1 6 TRP CG C -3.448 -5.455 3.328 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 11 . 2244 . 1 1 6 TRP CH2 C -6.601 -8.102 4.060 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 11 . 2245 . 1 1 6 TRP CZ2 C -5.343 -8.285 4.561 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 11 . 2246 . 1 1 6 TRP CZ3 C -6.912 -6.996 3.255 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 11 . 2247 . 1 1 6 TRP H H -6.137 -3.139 3.104 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 11 . 2248 . 1 1 6 TRP HA H -4.151 -3.158 4.224 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 11 . 2249 . 1 1 6 TRP HB3 H -2.201 -3.947 2.567 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2250 . 1 1 6 TRP HD1 H -1.479 -5.811 4.158 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2251 . 1 1 6 TRP HE1 H -2.582 -7.909 5.166 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2252 . 1 1 6 TRP HE3 H -6.212 -5.204 2.323 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 11 . 2253 . 1 1 6 TRP HH2 H -7.380 -8.816 4.278 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 11 . 2254 . 1 1 6 TRP HZ2 H -5.119 -9.143 5.179 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 11 . 2255 . 1 1 6 TRP HZ3 H -7.918 -6.888 2.880 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 11 . 2256 . 1 1 6 TRP N N -5.352 -2.904 2.566 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 11 . 2257 . 1 1 6 TRP NE1 N -3.057 -7.260 4.604 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2258 . 1 1 6 TRP O O -2.314 -1.641 2.144 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 11 . 2259 . 1 1 7 PRO C C -1.554 0.635 4.176 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 11 . 2260 . 1 1 7 PRO CA C -2.965 0.654 3.601 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 11 . 2261 . 1 1 7 PRO CB C -3.872 1.563 4.440 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 11 . 2262 . 1 1 7 PRO CD C -4.718 -0.660 4.674 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 11 . 2263 . 1 1 7 PRO CG C -4.544 0.644 5.400 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 11 . 2264 . 1 1 7 PRO HA H -2.934 1.014 2.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 11 . 2265 . 1 1 7 PRO HB3 H -4.586 2.054 3.797 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2266 . 1 1 7 PRO HD3 H -5.678 -0.690 4.178 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 11 . 2267 . 1 1 7 PRO HG3 H -5.504 1.048 5.682 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 11 . 2268 . 1 1 7 PRO N N -3.621 -0.655 3.691 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 11 . 2269 . 1 1 7 PRO O O -1.353 0.881 5.365 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 11 . 2270 . 1 1 8 ILE C C 1.700 1.128 2.824 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 11 . 2271 . 1 1 8 ILE CA C 0.817 0.294 3.745 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 11 . 2272 . 1 1 8 ILE CB C 1.345 -1.151 3.772 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 11 . 2273 . 1 1 8 ILE CD1 C 0.019 -1.615 5.895 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2274 . 1 1 8 ILE CG1 C 0.353 -2.069 4.493 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 11 . 2275 . 1 1 8 ILE CG2 C 2.710 -1.205 4.448 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 11 . 2276 . 1 1 8 ILE H H -0.800 0.155 2.387 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 11 . 2277 . 1 1 8 ILE HA H 0.875 0.697 4.746 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 11 . 2278 . 1 1 8 ILE HB H 1.463 -1.488 2.752 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 11 . 2279 . 1 1 8 ILE HD11 H -1.034 -1.391 5.960 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 11 . 2280 . 1 1 8 ILE HD12 H 0.267 -2.396 6.597 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 11 . 2281 . 1 1 8 ILE HD13 H 0.589 -0.725 6.132 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 11 . 2282 . 1 1 8 ILE HG13 H 0.774 -3.061 4.555 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 11 . 2283 . 1 1 8 ILE HG21 H 2.741 -0.481 5.250 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 11 . 2284 . 1 1 8 ILE HG22 H 2.872 -2.193 4.851 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 11 . 2285 . 1 1 8 ILE HG23 H 3.478 -0.976 3.726 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 11 . 2286 . 1 1 8 ILE N N -0.577 0.343 3.323 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 11 . 2287 . 1 1 8 ILE O O 1.575 1.068 1.601 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 11 . 2288 . 1 1 9 CYS C C 4.903 2.150 2.605 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 11 . 2289 . 1 1 9 CYS CA C 3.502 2.757 2.656 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 11 . 2290 . 1 1 9 CYS CB C 3.565 4.157 3.268 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 11 . 2291 . 1 1 9 CYS H H 2.649 1.915 4.400 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 11 . 2292 . 1 1 9 CYS HA H 3.120 2.830 1.649 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 11 . 2293 . 1 1 9 CYS HB3 H 4.197 4.781 2.657 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2294 . 1 1 9 CYS N N 2.595 1.909 3.422 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 11 . 2295 . 1 1 9 CYS O O 5.349 1.514 3.560 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 11 . 2296 . 1 1 9 CYS SG S 1.944 4.977 3.412 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 11 . 2297 . 1 1 10 PHE C C 7.966 2.950 1.315 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 11 . 2298 . 1 1 10 PHE CA C 6.937 1.825 1.308 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 11 . 2299 . 1 1 10 PHE CB C 7.032 1.039 -0.001 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 11 . 2300 . 1 1 10 PHE CD1 C 7.230 -1.215 1.084 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2301 . 1 1 10 PHE CD2 C 5.657 -0.945 -0.690 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2302 . 1 1 10 PHE CE1 C 6.863 -2.542 1.211 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2303 . 1 1 10 PHE CE2 C 5.289 -2.272 -0.566 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2304 . 1 1 10 PHE CG C 6.633 -0.402 0.135 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 11 . 2305 . 1 1 10 PHE CZ C 5.893 -3.071 0.384 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 11 . 2306 . 1 1 10 PHE H H 5.176 2.868 0.758 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 11 . 2307 . 1 1 10 PHE HA H 7.141 1.160 2.134 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 11 . 2308 . 1 1 10 PHE HB3 H 8.050 1.070 -0.356 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2309 . 1 1 10 PHE HD1 H 7.990 -0.803 1.731 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2310 . 1 1 10 PHE HD2 H 5.184 -0.322 -1.434 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2311 . 1 1 10 PHE HE1 H 7.339 -3.164 1.955 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 11 . 2312 . 1 1 10 PHE HE2 H 4.527 -2.682 -1.213 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 11 . 2313 . 1 1 10 PHE HZ H 5.604 -4.107 0.483 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 11 . 2314 . 1 1 10 PHE N N 5.587 2.351 1.485 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 11 . 2315 . 1 1 10 PHE O O 7.646 4.119 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 11 . 2316 . 1 1 11 PRO C C 10.670 4.115 0.237 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 11 . 2317 . 1 1 11 PRO CA C 10.335 3.557 1.615 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 11 . 2318 . 1 1 11 PRO CB C 11.505 2.733 2.158 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 11 . 2319 . 1 1 11 PRO CD C 9.685 1.216 1.843 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 11 . 2320 . 1 1 11 PRO CG C 11.183 1.327 1.788 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 11 . 2321 . 1 1 11 PRO HA H 10.123 4.372 2.291 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 11 . 2322 . 1 1 11 PRO HB3 H 11.570 2.855 3.229 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2323 . 1 1 11 PRO HD3 H 9.367 0.892 2.823 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 11 . 2324 . 1 1 11 PRO HG3 H 11.635 0.649 2.496 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 11 . 2325 . 1 1 11 PRO N N 9.233 2.592 1.573 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 11 . 2326 . 1 1 11 PRO O O 11.341 5.140 0.118 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 11 . 2327 . 1 1 12 ASP C C 9.575 5.061 -2.535 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 11 . 2328 . 1 1 12 ASP CA C 10.448 3.863 -2.174 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 11 . 2329 . 1 1 12 ASP CB C 10.185 2.712 -3.147 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 11 . 2330 . 1 1 12 ASP CG C 8.704 2.479 -3.380 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 11 . 2331 . 1 1 12 ASP H H 9.671 2.624 -0.644 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 11 . 2332 . 1 1 12 ASP HA H 11.484 4.155 -2.248 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 11 . 2333 . 1 1 12 ASP HB3 H 10.616 1.806 -2.747 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2334 . 1 1 12 ASP N N 10.200 3.434 -0.801 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 11 . 2335 . 1 1 12 ASP O O 10.000 5.954 -3.265 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 11 . 2336 . 1 1 12 ASP OD1 O 8.103 1.685 -2.628 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 11 . 2337 . 1 1 12 ASP OD2 O 8.150 3.091 -4.317 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 11 . 2338 . 1 1 13 GLY C C 6.120 5.682 -2.878 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 11 . 2339 . 1 1 13 GLY CA C 7.435 6.161 -2.300 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 11 . 2340 . 1 1 13 GLY H H 8.064 4.331 -1.443 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 11 . 2341 . 1 1 13 GLY HA2 H 7.239 6.697 -1.385 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 11 . 2342 . 1 1 13 GLY HA3 H 7.901 6.836 -3.006 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 11 . 2343 . 1 1 13 GLY N N 8.349 5.071 -2.019 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 11 . 2344 . 1 1 13 GLY O O 5.574 6.298 -3.794 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 11 . 2345 . 1 1 14 ARG C C 3.519 3.486 -1.648 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 11 . 2346 . 1 1 14 ARG CA C 4.349 4.012 -2.815 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 11 . 2347 . 1 1 14 ARG CB C 4.612 2.888 -3.819 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 11 . 2348 . 1 1 14 ARG CD C 3.595 1.019 -5.155 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 11 . 2349 . 1 1 14 ARG CG C 3.355 2.368 -4.496 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 11 . 2350 . 1 1 14 ARG CZ C 2.299 -0.713 -6.322 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 11 . 2351 . 1 1 14 ARG H H 6.088 4.131 -1.617 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 11 . 2352 . 1 1 14 ARG HA H 3.796 4.801 -3.306 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 11 . 2353 . 1 1 14 ARG HB3 H 5.083 2.065 -3.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 11 . 2354 . 1 1 14 ARG HD3 H 4.086 0.370 -4.446 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 11 . 2355 . 1 1 14 ARG HE H 1.510 0.817 -5.316 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 11 . 2356 . 1 1 14 ARG HG3 H 3.044 3.077 -5.249 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 11 . 2357 . 1 1 14 ARG HH11 H 4.304 -0.927 -6.441 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 11 . 2358 . 1 1 14 ARG HH12 H 3.378 -2.143 -7.259 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 11 . 2359 . 1 1 14 ARG HH21 H 0.280 -0.776 -6.389 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 11 . 2360 . 1 1 14 ARG HH22 H 1.089 -2.055 -7.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 11 . 2361 . 1 1 14 ARG N N 5.607 4.577 -2.345 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 11 . 2362 . 1 1 14 ARG NE N 2.348 0.391 -5.586 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 11 . 2363 . 1 1 14 ARG NH1 N 3.419 -1.311 -6.704 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 11 . 2364 . 1 1 14 ARG NH2 N 1.125 -1.222 -6.677 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 11 . 2365 . 1 1 14 ARG O O 3.985 2.653 -0.869 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 12 . 2366 . 1 1 1 CYS C C -0.032 3.621 -1.503 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 12 . 2367 . 1 1 1 CYS CA C 1.323 4.112 -1.002 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 12 . 2368 . 1 1 1 CYS CB C 1.195 5.545 -0.476 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 12 . 2369 . 1 1 1 CYS H1 H 2.028 4.036 -2.996 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 12 . 2370 . 1 1 1 CYS HA H 1.650 3.471 -0.196 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 12 . 2371 . 1 1 1 CYS HB3 H 0.243 5.654 0.019 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2372 . 1 1 1 CYS N N 2.324 4.050 -2.061 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 12 . 2373 . 1 1 1 CYS O O -0.587 4.161 -2.459 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 12 . 2374 . 1 1 1 CYS SG S 2.496 6.022 0.706 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 12 . 2375 . 1 1 2 THR C C -2.986 2.684 -0.459 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 12 . 2376 . 1 1 2 THR CA C -1.847 2.023 -1.229 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 12 . 2377 . 1 1 2 THR CB C -1.888 0.504 -0.979 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 12 . 2378 . 1 1 2 THR CG2 C -1.832 -0.261 -2.292 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 12 . 2379 . 1 1 2 THR H H -0.068 2.202 -0.096 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 12 . 2380 . 1 1 2 THR HA H -1.992 2.197 -2.284 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 12 . 2381 . 1 1 2 THR HB H -2.813 0.262 -0.477 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 12 . 2382 . 1 1 2 THR HG1 H -0.011 -0.029 -0.689 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 12 . 2383 . 1 1 2 THR HG21 H -2.823 -0.609 -2.549 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 12 . 2384 . 1 1 2 THR HG22 H -1.171 -1.109 -2.187 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 12 . 2385 . 1 1 2 THR HG23 H -1.466 0.388 -3.072 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 12 . 2386 . 1 1 2 THR N N -0.559 2.590 -0.848 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 12 . 2387 . 1 1 2 THR O O -2.754 3.507 0.426 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 12 . 2388 . 1 1 2 THR OG1 O -0.789 0.114 -0.146 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 12 . 2389 . 1 1 3 HIS C C -6.663 2.172 -0.612 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 12 . 2390 . 1 1 3 HIS CA C -5.392 2.874 -0.142 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 12 . 2391 . 1 1 3 HIS CB C -5.495 4.374 -0.416 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 12 . 2392 . 1 1 3 HIS CD2 C -4.431 4.679 -2.760 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2393 . 1 1 3 HIS CE1 C -6.205 5.399 -3.827 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2394 . 1 1 3 HIS CG C -5.450 4.722 -1.872 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 12 . 2395 . 1 1 3 HIS H H -4.335 1.654 -1.515 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 12 . 2396 . 1 1 3 HIS HA H -5.282 2.716 0.919 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 12 . 2397 . 1 1 3 HIS HB3 H -4.673 4.879 0.073 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2398 . 1 1 3 HIS HD1 H -7.443 5.316 -2.200 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2399 . 1 1 3 HIS HD2 H -3.414 4.369 -2.558 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2400 . 1 1 3 HIS HE1 H -6.859 5.760 -4.607 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2401 . 1 1 3 HIS N N -4.215 2.317 -0.802 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 12 . 2402 . 1 1 3 HIS ND1 N -6.547 5.178 -2.571 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 12 . 2403 . 1 1 3 HIS NE2 N -4.925 5.106 -3.969 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2404 . 1 1 3 HIS O O -7.086 2.332 -1.757 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 12 . 2405 . 1 1 4 . C C -8.647 -0.559 0.853 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 12 . 2406 . 1 1 4 . CA C -8.488 0.664 -0.044 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 12 . 2407 . 1 1 4 . CB C -9.705 1.579 0.100 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 12 . 2408 . 1 1 4 . CD1 C -11.917 0.471 0.519 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2409 . 1 1 4 . CD2 C -11.255 0.862 -1.738 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2410 . 1 1 4 . CE1 C -13.095 -0.102 0.078 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2411 . 1 1 4 . CE2 C -12.431 0.291 -2.184 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2412 . 1 1 4 . CG C -10.984 0.960 -0.383 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 12 . 2413 . 1 1 4 . CZ C -13.351 -0.191 -1.275 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 12 . 2414 . 1 1 4 . H H -6.880 1.303 1.176 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 12 . 2415 . 1 1 4 . HA H -8.417 0.337 -1.070 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 12 . 2416 . 1 1 4 . HB2 H -9.539 2.482 -0.469 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 12 . 2417 . 1 1 4 . HB3 H -9.832 1.836 1.143 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2418 . 1 1 4 . HD1 H -11.717 0.540 1.581 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2419 . 1 1 4 . HD2 H -10.536 1.240 -2.449 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2420 . 1 1 4 . HE1 H -13.814 -0.479 0.793 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2421 . 1 1 4 . HE2 H -12.631 0.222 -3.244 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2422 . 1 1 4 . HZ H -14.272 -0.640 -1.621 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 12 . 2423 . 1 1 4 . N N -7.266 1.391 0.279 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 12 . 2424 . 1 1 4 . O O -9.498 -0.583 1.744 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 12 . 2425 . 1 1 5 MMO C C -6.686 -2.879 2.356 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 12 . 2426 . 1 1 5 MMO CA C -7.871 -2.799 1.400 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 12 . 2427 . 1 1 5 MMO CB C -7.880 -4.022 0.480 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 12 . 2428 . 1 1 5 MMO CD C -9.769 -5.200 1.644 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 12 . 2429 . 1 1 5 MMO CG C -8.329 -5.300 1.169 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 12 . 2430 . 1 1 5 MMO CN C -6.838 -1.456 -0.471 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 12 . 2431 . 1 1 5 MMO CZ C -11.968 -6.071 0.980 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 12 . 2432 . 1 1 5 MMO HA H -8.784 -2.788 1.977 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 12 . 2433 . 1 1 5 MMO HC1 H -6.299 -2.397 -0.577 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 12 . 2434 . 1 1 5 MMO HC2 H -6.134 -0.658 -0.238 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 12 . 2435 . 1 1 5 MMO HC3 H -7.353 -1.224 -1.405 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 12 . 2436 . 1 1 5 MMO HCB1 H -8.550 -3.831 -0.348 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 12 . 2437 . 1 1 5 MMO HCB2 H -6.882 -4.175 0.096 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 12 . 2438 . 1 1 5 MMO HCD1 H -9.800 -5.415 2.703 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2439 . 1 1 5 MMO HCD2 H -10.123 -4.196 1.471 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2440 . 1 1 5 MMO HCG1 H -8.248 -6.121 0.472 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 12 . 2441 . 1 1 5 MMO HCG2 H -7.689 -5.483 2.017 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 12 . 2442 . 1 1 5 MMO HH11 H -12.246 -7.683 -0.207 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 12 . 2443 . 1 1 5 MMO HH12 H -13.694 -6.910 0.343 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 12 . 2444 . 1 1 5 MMO HH21 H -12.024 -4.443 2.173 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 12 . 2445 . 1 1 5 MMO HH22 H -13.570 -5.067 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 12 . 2446 . 1 1 5 MMO N N -7.822 -1.573 0.615 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 12 . 2447 . 1 1 5 MMO NE N -10.642 -6.139 0.946 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 12 . 2448 . 1 1 5 MMO NH1 N -12.696 -6.963 0.318 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 12 . 2449 . 1 1 5 MMO NH2 N -12.570 -5.115 1.674 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 12 . 2450 . 1 1 5 MMO O O -6.841 -2.729 3.568 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 12 . 2451 . 1 1 6 TRP C C -3.343 -2.055 2.315 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 12 . 2452 . 1 1 6 TRP CA C -4.288 -3.216 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 12 . 2453 . 1 1 6 TRP CB C -3.582 -4.546 2.339 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 12 . 2454 . 1 1 6 TRP CD1 C -2.897 -4.507 -0.130 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2455 . 1 1 6 TRP CD2 C -4.529 -5.963 0.351 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2456 . 1 1 6 TRP CE2 C -4.248 -6.041 -1.029 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2457 . 1 1 6 TRP CE3 C -5.520 -6.791 0.882 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 12 . 2458 . 1 1 6 TRP CG C -3.652 -4.977 0.905 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 12 . 2459 . 1 1 6 TRP CH2 C -5.891 -7.709 -1.330 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 12 . 2460 . 1 1 6 TRP CZ2 C -4.925 -6.911 -1.878 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 12 . 2461 . 1 1 6 TRP CZ3 C -6.192 -7.653 0.037 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 12 . 2462 . 1 1 6 TRP H H -5.440 -3.226 0.831 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 12 . 2463 . 1 1 6 TRP HA H -4.577 -3.176 3.647 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 12 . 2464 . 1 1 6 TRP HB3 H -4.039 -5.315 2.944 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2465 . 1 1 6 TRP HD1 H -2.138 -3.745 -0.032 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2466 . 1 1 6 TRP HE1 H -2.850 -4.977 -2.176 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2467 . 1 1 6 TRP HE3 H -5.766 -6.764 1.932 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 12 . 2468 . 1 1 6 TRP HH2 H -6.443 -8.398 -1.953 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 12 . 2469 . 1 1 6 TRP HZ2 H -4.704 -6.964 -2.934 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 12 . 2470 . 1 1 6 TRP HZ3 H -6.963 -8.301 0.430 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 12 . 2471 . 1 1 6 TRP N N -5.501 -3.116 1.803 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 12 . 2472 . 1 1 6 TRP NE1 N -3.249 -5.141 -1.297 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2473 . 1 1 6 TRP O O -2.336 -2.205 1.624 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 12 . 2474 . 1 1 7 PRO C C -1.533 0.265 3.397 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 12 . 2475 . 1 1 7 PRO CA C -2.867 0.337 2.661 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 12 . 2476 . 1 1 7 PRO CB C -3.742 1.445 3.251 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 12 . 2477 . 1 1 7 PRO CD C -4.860 -0.621 3.687 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 12 . 2478 . 1 1 7 PRO CG C -4.612 0.752 4.242 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 12 . 2479 . 1 1 7 PRO HA H -2.689 0.534 1.615 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 12 . 2480 . 1 1 7 PRO HB3 H -4.325 1.904 2.466 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2481 . 1 1 7 PRO HD3 H -5.760 -0.631 3.090 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 12 . 2482 . 1 1 7 PRO HG3 H -5.544 1.289 4.347 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 12 . 2483 . 1 1 7 PRO N N -3.673 -0.871 2.852 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 12 . 2484 . 1 1 7 PRO O O -1.485 -0.049 4.586 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 12 . 2485 . 1 1 8 ILE C C 1.804 1.532 2.589 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 12 . 2486 . 1 1 8 ILE CA C 0.883 0.526 3.267 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 12 . 2487 . 1 1 8 ILE CB C 1.509 -0.878 3.168 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 12 . 2488 . 1 1 8 ILE CD1 C 2.994 -0.913 1.100 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2489 . 1 1 8 ILE CG1 C 1.658 -1.289 1.701 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 12 . 2490 . 1 1 8 ILE CG2 C 0.665 -1.891 3.926 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 12 . 2491 . 1 1 8 ILE H H -0.553 0.800 1.738 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 12 . 2492 . 1 1 8 ILE HA H 0.793 0.783 4.314 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 12 . 2493 . 1 1 8 ILE HB H 2.486 -0.844 3.625 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 12 . 2494 . 1 1 8 ILE HD11 H 3.316 -1.689 0.422 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 12 . 2495 . 1 1 8 ILE HD12 H 2.898 0.018 0.563 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 12 . 2496 . 1 1 8 ILE HD13 H 3.725 -0.800 1.888 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 12 . 2497 . 1 1 8 ILE HG13 H 0.884 -0.808 1.121 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 12 . 2498 . 1 1 8 ILE HG21 H 1.201 -2.825 3.993 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 12 . 2499 . 1 1 8 ILE HG22 H 0.463 -1.519 4.918 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 12 . 2500 . 1 1 8 ILE HG23 H -0.265 -2.047 3.402 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 12 . 2501 . 1 1 8 ILE N N -0.451 0.556 2.681 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 12 . 2502 . 1 1 8 ILE O O 1.652 1.829 1.403 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 12 . 2503 . 1 1 9 CYS C C 5.143 2.499 2.912 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 12 . 2504 . 1 1 9 CYS CA C 3.712 3.027 2.819 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 12 . 2505 . 1 1 9 CYS CB C 3.596 4.348 3.578 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 12 . 2506 . 1 1 9 CYS H H 2.836 1.777 4.285 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 12 . 2507 . 1 1 9 CYS HA H 3.472 3.196 1.780 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 12 . 2508 . 1 1 9 CYS HB3 H 4.583 4.762 3.723 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2509 . 1 1 9 CYS N N 2.765 2.054 3.347 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 12 . 2510 . 1 1 9 CYS O O 5.619 2.156 3.994 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 12 . 2511 . 1 1 9 CYS SG S 2.588 5.607 2.729 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 12 . 2512 . 1 1 10 PHE C C 8.180 3.113 1.664 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 12 . 2513 . 1 1 10 PHE CA C 7.195 1.950 1.724 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 12 . 2514 . 1 1 10 PHE CB C 7.393 1.037 0.514 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 12 . 2515 . 1 1 10 PHE CD1 C 7.613 -1.079 1.844 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2516 . 1 1 10 PHE CD2 C 6.137 -1.069 -0.029 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2517 . 1 1 10 PHE CE1 C 7.293 -2.400 2.094 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2518 . 1 1 10 PHE CE2 C 5.811 -2.388 0.216 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2519 . 1 1 10 PHE CG C 7.040 -0.400 0.782 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 12 . 2520 . 1 1 10 PHE CZ C 6.388 -3.056 1.279 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 12 . 2521 . 1 1 10 PHE H H 5.387 2.724 0.941 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 12 . 2522 . 1 1 10 PHE HA H 7.376 1.385 2.624 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 12 . 2523 . 1 1 10 PHE HB3 H 8.428 1.074 0.207 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2524 . 1 1 10 PHE HD1 H 8.319 -0.568 2.482 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2525 . 1 1 10 PHE HD2 H 5.683 -0.548 -0.860 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2526 . 1 1 10 PHE HE1 H 7.745 -2.920 2.925 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 12 . 2527 . 1 1 10 PHE HE2 H 5.105 -2.898 -0.423 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 12 . 2528 . 1 1 10 PHE HZ H 6.137 -4.088 1.472 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 12 . 2529 . 1 1 10 PHE N N 5.821 2.436 1.771 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 12 . 2530 . 1 1 10 PHE O O 7.832 4.237 1.306 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 12 . 2531 . 1 1 11 PRO C C 10.898 4.269 0.609 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 12 . 2532 . 1 1 11 PRO CA C 10.507 3.845 2.019 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 12 . 2533 . 1 1 11 PRO CB C 11.676 3.130 2.706 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 12 . 2534 . 1 1 11 PRO CD C 9.928 1.516 2.459 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 12 . 2535 . 1 1 11 PRO CG C 11.425 1.681 2.470 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 12 . 2536 . 1 1 11 PRO HA H 10.228 4.716 2.593 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 12 . 2537 . 1 1 11 PRO HB3 H 11.674 3.366 3.760 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2538 . 1 1 11 PRO HD3 H 9.568 1.281 3.452 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 12 . 2539 . 1 1 11 PRO HG3 H 11.860 1.100 3.271 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 12 . 2540 . 1 1 11 PRO N N 9.443 2.835 2.023 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 12 . 2541 . 1 1 11 PRO O O 11.526 5.311 0.415 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 12 . 2542 . 1 1 12 ASP C C 10.026 4.945 -2.266 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 12 . 2543 . 1 1 12 ASP CA C 10.833 3.750 -1.769 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 12 . 2544 . 1 1 12 ASP CB C 10.552 2.529 -2.644 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 12 . 2545 . 1 1 12 ASP CG C 10.743 2.816 -4.119 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 12 . 2546 . 1 1 12 ASP H H 10.025 2.642 -0.156 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 12 . 2547 . 1 1 12 ASP HA H 11.885 3.991 -1.830 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 12 . 2548 . 1 1 12 ASP HB3 H 9.531 2.208 -2.487 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2549 . 1 1 12 ASP N N 10.523 3.457 -0.374 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 12 . 2550 . 1 1 12 ASP O O 10.582 5.996 -2.579 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 12 . 2551 . 1 1 12 ASP OD1 O 9.919 2.343 -4.928 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 12 . 2552 . 1 1 12 ASP OD2 O 11.719 3.513 -4.468 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 12 . 2553 . 1 1 13 GLY C C 6.542 5.333 -3.375 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 12 . 2554 . 1 1 13 GLY CA C 7.846 5.846 -2.797 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 12 . 2555 . 1 1 13 GLY H H 8.321 3.914 -2.072 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 12 . 2556 . 1 1 13 GLY HA2 H 7.627 6.501 -1.966 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 12 . 2557 . 1 1 13 GLY HA3 H 8.366 6.409 -3.559 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 12 . 2558 . 1 1 13 GLY N N 8.709 4.774 -2.337 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 12 . 2559 . 1 1 13 GLY O O 6.181 5.664 -4.504 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 12 . 2560 . 1 1 14 ARG C C 3.614 3.763 -1.865 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 12 . 2561 . 1 1 14 ARG CA C 4.562 3.955 -3.042 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 12 . 2562 . 1 1 14 ARG CB C 4.792 2.618 -3.749 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 12 . 2563 . 1 1 14 ARG CD C 4.134 3.233 -6.096 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 12 . 2564 . 1 1 14 ARG CG C 5.260 2.762 -5.188 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 12 . 2565 . 1 1 14 ARG CZ C 3.883 4.287 -8.303 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 12 . 2566 . 1 1 14 ARG H H 6.172 4.290 -1.710 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 12 . 2567 . 1 1 14 ARG HA H 4.117 4.648 -3.739 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 12 . 2568 . 1 1 14 ARG HB3 H 3.868 2.060 -3.748 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 12 . 2569 . 1 1 14 ARG HD3 H 3.644 4.073 -5.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 12 . 2570 . 1 1 14 ARG HE H 5.551 3.417 -7.639 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 12 . 2571 . 1 1 14 ARG HG3 H 5.615 1.804 -5.539 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 12 . 2572 . 1 1 14 ARG HH11 H 2.233 4.351 -7.137 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 12 . 2573 . 1 1 14 ARG HH12 H 2.070 5.090 -8.694 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 12 . 2574 . 1 1 14 ARG HH21 H 5.348 4.386 -9.692 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 12 . 2575 . 1 1 14 ARG HH22 H 3.841 5.110 -10.148 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 12 . 2576 . 1 1 14 ARG N N 5.832 4.517 -2.600 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 12 . 2577 . 1 1 14 ARG NE N 4.625 3.639 -7.410 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 12 . 2578 . 1 1 14 ARG NH1 N 2.626 4.602 -8.022 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 12 . 2579 . 1 1 14 ARG NH2 N 4.399 4.622 -9.478 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 12 . 2580 . 1 1 14 ARG O O 4.000 3.235 -0.822 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 13 . 2581 . 1 1 1 CYS C C 0.177 3.292 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 13 . 2582 . 1 1 1 CYS CA C 1.283 3.821 -0.842 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 13 . 2583 . 1 1 1 CYS CB C 0.683 4.752 0.215 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 13 . 2584 . 1 1 1 CYS H1 H 2.030 5.250 -2.212 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 13 . 2585 . 1 1 1 CYS HA H 1.754 2.987 -0.348 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 13 . 2586 . 1 1 1 CYS HB3 H -0.376 4.855 0.036 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2587 . 1 1 1 CYS N N 2.301 4.522 -1.615 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 13 . 2588 . 1 1 1 CYS O O -0.189 3.930 -2.740 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 13 . 2589 . 1 1 1 CYS SG S 0.901 4.170 1.928 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 13 . 2590 . 1 1 2 THR C C -2.786 1.942 -1.707 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 13 . 2591 . 1 1 2 THR CA C -1.412 1.503 -2.198 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 13 . 2592 . 1 1 2 THR CB C -1.328 -0.035 -2.145 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 13 . 2593 . 1 1 2 THR CG2 C -0.457 -0.568 -3.274 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 13 . 2594 . 1 1 2 THR H H -0.016 1.659 -0.614 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 13 . 2595 . 1 1 2 THR HA H -1.291 1.814 -3.225 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 13 . 2596 . 1 1 2 THR HB H -2.325 -0.439 -2.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 13 . 2597 . 1 1 2 THR HG1 H -0.724 -1.412 -0.871 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 13 . 2598 . 1 1 2 THR HG21 H -0.841 -0.220 -4.221 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 13 . 2599 . 1 1 2 THR HG22 H -0.463 -1.647 -3.256 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 13 . 2600 . 1 1 2 THR HG23 H 0.554 -0.212 -3.143 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 13 . 2601 . 1 1 2 THR N N -0.349 2.119 -1.412 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 13 . 2602 . 1 1 2 THR O O -2.897 2.731 -0.768 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 13 . 2603 . 1 1 2 THR OG1 O -0.795 -0.455 -0.885 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 13 . 2604 . 1 1 3 HIS C C -5.864 0.604 -1.235 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 13 . 2605 . 1 1 3 HIS CA C -5.200 1.765 -1.970 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 13 . 2606 . 1 1 3 HIS CB C -6.013 2.132 -3.212 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 13 . 2607 . 1 1 3 HIS CD2 C -5.381 3.395 -5.387 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2608 . 1 1 3 HIS CE1 C -4.219 5.021 -4.487 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2609 . 1 1 3 HIS CG C -5.382 3.203 -4.047 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 13 . 2610 . 1 1 3 HIS H H -3.679 0.803 -3.085 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 13 . 2611 . 1 1 3 HIS HA H -5.162 2.619 -1.310 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 13 . 2612 . 1 1 3 HIS HB3 H -6.989 2.482 -2.903 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2613 . 1 1 3 HIS HD1 H -4.464 4.379 -2.561 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2614 . 1 1 3 HIS HD2 H -5.864 2.769 -6.125 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2615 . 1 1 3 HIS HE1 H -3.619 5.911 -4.365 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2616 . 1 1 3 HIS N N -3.832 1.426 -2.346 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 13 . 2617 . 1 1 3 HIS ND1 N -4.644 4.239 -3.513 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 13 . 2618 . 1 1 3 HIS NE2 N -4.650 4.532 -5.634 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2619 . 1 1 3 HIS O O -5.210 -0.377 -0.884 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 13 . 2620 . 1 1 4 . C C -8.268 0.122 1.107 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 13 . 2621 . 1 1 4 . CA C -7.924 -0.313 -0.315 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 13 . 2622 . 1 1 4 . CB C -9.203 -0.643 -1.086 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 13 . 2623 . 1 1 4 . CD1 C -9.894 -2.802 -2.160 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2624 . 1 1 4 . CD2 C -7.984 -1.667 -3.025 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2625 . 1 1 4 . CE1 C -9.732 -3.801 -3.102 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2626 . 1 1 4 . CE2 C -7.817 -2.663 -3.968 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2627 . 1 1 4 . CG C -9.023 -1.727 -2.110 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 13 . 2628 . 1 1 4 . CZ C -8.691 -3.730 -4.007 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 13 . 2629 . 1 1 4 . H H -7.635 1.531 -1.314 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 13 . 2630 . 1 1 4 . HA H -7.304 -1.195 -0.268 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 13 . 2631 . 1 1 4 . HB2 H -9.546 0.244 -1.597 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 13 . 2632 . 1 1 4 . HB3 H -9.960 -0.967 -0.387 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2633 . 1 1 4 . HD1 H -10.709 -2.858 -1.452 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2634 . 1 1 4 . HD2 H -7.299 -0.834 -2.996 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2635 . 1 1 4 . HE1 H -10.419 -4.634 -3.130 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2636 . 1 1 4 . HE2 H -7.003 -2.605 -4.676 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2637 . 1 1 4 . HZ H -8.563 -4.509 -4.742 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 13 . 2638 . 1 1 4 . N N -7.169 0.726 -1.008 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 13 . 2639 . 1 1 4 . O O -8.326 1.316 1.405 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 13 . 2640 . 1 1 5 MMO C C -7.667 -0.906 4.291 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 13 . 2641 . 1 1 5 MMO CA C -8.835 -0.571 3.369 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 13 . 2642 . 1 1 5 MMO CB C -10.073 -1.369 3.785 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 13 . 2643 . 1 1 5 MMO CD C -11.845 0.128 2.816 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 13 . 2644 . 1 1 5 MMO CG C -11.226 -1.261 2.800 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 13 . 2645 . 1 1 5 MMO CN C -8.403 -2.250 1.532 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 13 . 2646 . 1 1 5 MMO CZ C -11.628 2.257 1.607 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 13 . 2647 . 1 1 5 MMO HA H -9.054 0.482 3.450 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 13 . 2648 . 1 1 5 MMO HC1 H -8.635 -2.915 2.364 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 13 . 2649 . 1 1 5 MMO HC2 H -7.395 -2.452 1.175 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 13 . 2650 . 1 1 5 MMO HC3 H -9.114 -2.421 0.722 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 13 . 2651 . 1 1 5 MMO HCB1 H -9.804 -2.410 3.875 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 13 . 2652 . 1 1 5 MMO HCB2 H -10.412 -1.008 4.743 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 13 . 2653 . 1 1 5 MMO HCD1 H -12.914 0.033 2.695 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2654 . 1 1 5 MMO HCD2 H -11.630 0.592 3.767 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2655 . 1 1 5 MMO HCG1 H -10.861 -1.469 1.805 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 13 . 2656 . 1 1 5 MMO HCG2 H -11.984 -1.986 3.065 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 13 . 2657 . 1 1 5 MMO HH11 H -10.487 2.522 -0.042 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 13 . 2658 . 1 1 5 MMO HH12 H -11.343 3.926 0.504 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 13 . 2659 . 1 1 5 MMO HH21 H -12.846 2.314 3.220 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 13 . 2660 . 1 1 5 MMO HH22 H -12.683 3.809 2.358 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 13 . 2661 . 1 1 5 MMO N N -8.497 -0.854 1.979 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 13 . 2662 . 1 1 5 MMO NE N -11.320 0.973 1.748 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 13 . 2663 . 1 1 5 MMO NH1 N -11.111 2.960 0.609 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 13 . 2664 . 1 1 5 MMO NH2 N -12.454 2.842 2.464 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 13 . 2665 . 1 1 5 MMO O O -7.816 -0.928 5.513 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 13 . 2666 . 1 1 6 TRP C C -4.125 -1.746 3.548 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 13 . 2667 . 1 1 6 TRP CA C -5.314 -1.502 4.469 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 13 . 2668 . 1 1 6 TRP CB C -5.571 -2.736 5.333 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 13 . 2669 . 1 1 6 TRP CD1 C -5.979 -4.596 3.617 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2670 . 1 1 6 TRP CD2 C -7.743 -4.145 4.922 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2671 . 1 1 6 TRP CE2 C -8.095 -5.175 4.030 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2672 . 1 1 6 TRP CE3 C -8.692 -3.694 5.843 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 13 . 2673 . 1 1 6 TRP CG C -6.383 -3.788 4.642 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 13 . 2674 . 1 1 6 TRP CH2 C -10.271 -5.300 4.945 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 13 . 2675 . 1 1 6 TRP CZ2 C -9.359 -5.760 4.033 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 13 . 2676 . 1 1 6 TRP CZ3 C -9.946 -4.274 5.843 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 13 . 2677 . 1 1 6 TRP H H -6.454 -1.134 2.721 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 13 . 2678 . 1 1 6 TRP HA H -5.091 -0.663 5.110 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 13 . 2679 . 1 1 6 TRP HB3 H -6.100 -2.438 6.227 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2680 . 1 1 6 TRP HD1 H -4.996 -4.569 3.175 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2681 . 1 1 6 TRP HE1 H -6.958 -6.106 2.532 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2682 . 1 1 6 TRP HE3 H -8.462 -2.904 6.543 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 13 . 2683 . 1 1 6 TRP HH2 H -11.263 -5.726 4.981 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 13 . 2684 . 1 1 6 TRP HZ2 H -9.623 -6.553 3.349 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 13 . 2685 . 1 1 6 TRP HZ3 H -10.694 -3.939 6.547 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 13 . 2686 . 1 1 6 TRP N N -6.510 -1.167 3.699 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 13 . 2687 . 1 1 6 TRP NE1 N -7.003 -5.432 3.244 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2688 . 1 1 6 TRP O O -3.546 -2.833 3.518 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 13 . 2689 . 1 1 7 PRO C C -1.280 -0.880 2.557 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 13 . 2690 . 1 1 7 PRO CA C -2.622 -0.797 1.841 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 13 . 2691 . 1 1 7 PRO CB C -2.727 0.508 1.047 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 13 . 2692 . 1 1 7 PRO CD C -4.393 0.608 2.760 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 13 . 2693 . 1 1 7 PRO CG C -3.439 1.449 1.957 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 13 . 2694 . 1 1 7 PRO HA H -2.724 -1.638 1.171 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 13 . 2695 . 1 1 7 PRO HB3 H -3.287 0.339 0.139 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2696 . 1 1 7 PRO HD3 H -5.356 0.561 2.272 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 13 . 2697 . 1 1 7 PRO HG3 H -3.981 2.180 1.377 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 13 . 2698 . 1 1 7 PRO N N -3.749 -0.717 2.777 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 13 . 2699 . 1 1 7 PRO O O -1.222 -1.078 3.770 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 13 . 2700 . 1 1 8 ILE C C 1.959 0.446 1.960 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 13 . 2701 . 1 1 8 ILE CA C 1.143 -0.780 2.362 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 13 . 2702 . 1 1 8 ILE CB C 1.891 -2.049 1.912 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 13 . 2703 . 1 1 8 ILE CD1 C 3.251 -1.425 -0.147 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2704 . 1 1 8 ILE CG1 C 2.000 -2.089 0.386 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 13 . 2705 . 1 1 8 ILE CG2 C 1.183 -3.292 2.430 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 13 . 2706 . 1 1 8 ILE H H -0.308 -0.568 0.836 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 13 . 2707 . 1 1 8 ILE HA H 1.052 -0.801 3.438 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 13 . 2708 . 1 1 8 ILE HB H 2.882 -2.024 2.337 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 13 . 2709 . 1 1 8 ILE HD11 H 3.750 -0.900 0.653 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 13 . 2710 . 1 1 8 ILE HD12 H 3.911 -2.173 -0.557 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 13 . 2711 . 1 1 8 ILE HD13 H 2.982 -0.720 -0.922 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 13 . 2712 . 1 1 8 ILE HG13 H 1.147 -1.583 -0.042 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 13 . 2713 . 1 1 8 ILE HG21 H 0.939 -3.158 3.473 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 13 . 2714 . 1 1 8 ILE HG22 H 0.277 -3.451 1.867 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 13 . 2715 . 1 1 8 ILE HG23 H 1.833 -4.147 2.320 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 13 . 2716 . 1 1 8 ILE N N -0.199 -0.723 1.798 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 13 . 2717 . 1 1 8 ILE O O 1.621 1.145 1.004 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 13 . 2718 . 1 1 9 CYS C C 5.359 1.403 2.314 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 13 . 2719 . 1 1 9 CYS CA C 3.901 1.840 2.420 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 13 . 2720 . 1 1 9 CYS CB C 3.751 2.900 3.512 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 13 . 2721 . 1 1 9 CYS H H 3.252 0.108 3.448 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 13 . 2722 . 1 1 9 CYS HA H 3.595 2.266 1.474 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 13 . 2723 . 1 1 9 CYS HB3 H 4.696 3.404 3.646 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2724 . 1 1 9 CYS N N 3.035 0.701 2.696 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 13 . 2725 . 1 1 9 CYS O O 5.829 0.583 3.100 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 13 . 2726 . 1 1 9 CYS SG S 2.491 4.166 3.156 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 13 . 2727 . 1 1 10 PHE C C 8.363 2.833 1.400 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 13 . 2728 . 1 1 10 PHE CA C 7.471 1.626 1.127 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 13 . 2729 . 1 1 10 PHE CB C 7.693 1.127 -0.302 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 13 . 2730 . 1 1 10 PHE CD1 C 8.127 -1.258 0.339 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2731 . 1 1 10 PHE CD2 C 6.581 -0.824 -1.423 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2732 . 1 1 10 PHE CE1 C 7.918 -2.617 0.189 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2733 . 1 1 10 PHE CE2 C 6.367 -2.181 -1.576 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2734 . 1 1 10 PHE CG C 7.463 -0.348 -0.466 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 13 . 2735 . 1 1 10 PHE CZ C 7.036 -3.078 -0.767 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 13 . 2736 . 1 1 10 PHE H H 5.636 2.606 0.741 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 13 . 2737 . 1 1 10 PHE HA H 7.731 0.837 1.817 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 13 . 2738 . 1 1 10 PHE HB3 H 8.709 1.341 -0.597 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2739 . 1 1 10 PHE HD1 H 8.817 -0.900 1.089 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2740 . 1 1 10 PHE HD2 H 6.056 -0.121 -2.056 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2741 . 1 1 10 PHE HE1 H 8.442 -3.317 0.824 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 13 . 2742 . 1 1 10 PHE HE2 H 5.677 -2.537 -2.326 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 13 . 2743 . 1 1 10 PHE HZ H 6.872 -4.140 -0.886 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 13 . 2744 . 1 1 10 PHE N N 6.067 1.959 1.337 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 13 . 2745 . 1 1 10 PHE O O 7.916 3.980 1.397 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 13 . 2746 . 1 1 11 PRO C C 10.940 4.476 0.694 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 13 . 2747 . 1 1 11 PRO CA C 10.638 3.624 1.922 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 13 . 2748 . 1 1 11 PRO CB C 11.884 2.842 2.347 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 13 . 2749 . 1 1 11 PRO CD C 10.260 1.228 1.660 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 13 . 2750 . 1 1 11 PRO CG C 11.736 1.510 1.697 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 13 . 2751 . 1 1 11 PRO HA H 10.317 4.262 2.731 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 13 . 2752 . 1 1 11 PRO HB3 H 11.906 2.755 3.424 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2753 . 1 1 11 PRO HD3 H 9.956 0.684 2.541 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 13 . 2754 . 1 1 11 PRO HG3 H 12.246 0.758 2.281 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 13 . 2755 . 1 1 11 PRO N N 9.656 2.571 1.643 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 13 . 2756 . 1 1 11 PRO O O 11.536 5.548 0.801 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 13 . 2757 . 1 1 12 ASP C C 9.877 5.966 -1.790 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 13 . 2758 . 1 1 12 ASP CA C 10.746 4.714 -1.720 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 13 . 2759 . 1 1 12 ASP CB C 10.451 3.809 -2.917 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 13 . 2760 . 1 1 12 ASP CG C 11.165 4.260 -4.175 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 13 . 2761 . 1 1 12 ASP H H 10.052 3.135 -0.493 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 13 . 2762 . 1 1 12 ASP HA H 11.785 5.010 -1.751 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 13 . 2763 . 1 1 12 ASP HB3 H 9.388 3.808 -3.107 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2764 . 1 1 12 ASP N N 10.522 3.995 -0.473 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 13 . 2765 . 1 1 12 ASP O O 10.377 7.070 -2.006 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 13 . 2766 . 1 1 12 ASP OD1 O 10.958 3.630 -5.232 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 13 . 2767 . 1 1 12 ASP OD2 O 11.932 5.244 -4.102 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 13 . 2768 . 1 1 13 GLY C C 6.336 6.554 -2.308 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 13 . 2769 . 1 1 13 GLY CA C 7.655 6.910 -1.650 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 13 . 2770 . 1 1 13 GLY H H 8.231 4.884 -1.435 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 13 . 2771 . 1 1 13 GLY HA2 H 7.465 7.246 -0.643 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 13 . 2772 . 1 1 13 GLY HA3 H 8.116 7.713 -2.205 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 13 . 2773 . 1 1 13 GLY N N 8.572 5.787 -1.605 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 13 . 2774 . 1 1 13 GLY O O 5.814 7.320 -3.118 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 13 . 2775 . 1 1 14 ARG C C 3.616 4.392 -1.436 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 13 . 2776 . 1 1 14 ARG CA C 4.535 4.934 -2.527 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 13 . 2777 . 1 1 14 ARG CB C 4.784 3.854 -3.583 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 13 . 2778 . 1 1 14 ARG CD C 6.729 4.560 -5.009 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 13 . 2779 . 1 1 14 ARG CG C 5.217 4.409 -4.929 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 13 . 2780 . 1 1 14 ARG CZ C 7.382 2.705 -6.484 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 13 . 2781 . 1 1 14 ARG H H 6.263 4.823 -1.311 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 13 . 2782 . 1 1 14 ARG HA H 4.056 5.780 -2.997 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 13 . 2783 . 1 1 14 ARG HB3 H 3.873 3.292 -3.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 13 . 2784 . 1 1 14 ARG HD3 H 7.089 4.941 -4.064 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 13 . 2785 . 1 1 14 ARG HE H 7.868 2.852 -4.554 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 13 . 2786 . 1 1 14 ARG HG3 H 4.758 5.374 -5.075 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 13 . 2787 . 1 1 14 ARG HH11 H 6.275 4.144 -7.368 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 13 . 2788 . 1 1 14 ARG HH12 H 6.742 2.833 -8.397 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 13 . 2789 . 1 1 14 ARG HH21 H 8.491 1.119 -5.900 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 13 . 2790 . 1 1 14 ARG HH22 H 8.002 1.111 -7.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 13 . 2791 . 1 1 14 ARG N N 5.799 5.390 -1.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 13 . 2792 . 1 1 14 ARG NE N 7.392 3.291 -5.291 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 13 . 2793 . 1 1 14 ARG NH1 N 6.747 3.274 -7.499 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 13 . 2794 . 1 1 14 ARG NH2 N 8.010 1.550 -6.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 13 . 2795 . 1 1 14 ARG O O 4.078 3.816 -0.450 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 14 . 2796 . 1 1 1 CYS C C 0.200 3.343 -1.391 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 14 . 2797 . 1 1 1 CYS CA C 1.359 3.809 -0.516 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 14 . 2798 . 1 1 1 CYS CB C 0.856 4.820 0.518 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 14 . 2799 . 1 1 1 CYS H1 H 2.402 5.363 -1.506 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 14 . 2800 . 1 1 1 CYS HA H 1.769 2.955 0.001 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 14 . 2801 . 1 1 1 CYS HB3 H 0.249 4.307 1.247 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2802 . 1 1 1 CYS N N 2.418 4.398 -1.325 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 14 . 2803 . 1 1 1 CYS O O 0.007 3.839 -2.502 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 14 . 2804 . 1 1 1 CYS SG S 2.183 5.690 1.414 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 14 . 2805 . 1 1 2 THR C C -2.979 2.638 -1.314 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 14 . 2806 . 1 1 2 THR CA C -1.709 1.851 -1.620 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 14 . 2807 . 1 1 2 THR CB C -1.946 0.365 -1.286 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 14 . 2808 . 1 1 2 THR CG2 C -2.528 0.210 0.111 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 14 . 2809 . 1 1 2 THR H H -0.366 2.031 0.008 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 14 . 2810 . 1 1 2 THR HA H -1.492 1.931 -2.675 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 14 . 2811 . 1 1 2 THR HB H -0.998 -0.151 -1.324 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 14 . 2812 . 1 1 2 THR HG1 H -3.240 -1.002 -1.873 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 14 . 2813 . 1 1 2 THR HG21 H -3.492 0.696 0.155 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 14 . 2814 . 1 1 2 THR HG22 H -1.863 0.665 0.829 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 14 . 2815 . 1 1 2 THR HG23 H -2.641 -0.839 0.338 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 14 . 2816 . 1 1 2 THR N N -0.571 2.387 -0.884 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 14 . 2817 . 1 1 2 THR O O -2.932 3.687 -0.670 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 14 . 2818 . 1 1 2 THR OG1 O -2.835 -0.215 -2.246 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 14 . 2819 . 1 1 3 HIS C C -6.547 1.784 -1.697 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 14 . 2820 . 1 1 3 HIS CA C -5.399 2.778 -1.555 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 14 . 2821 . 1 1 3 HIS CB C -5.585 3.934 -2.540 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 14 . 2822 . 1 1 3 HIS CD2 C -6.204 3.350 -4.991 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2823 . 1 1 3 HIS CE1 C -4.180 3.006 -5.758 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2824 . 1 1 3 HIS CG C -5.341 3.551 -3.967 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 14 . 2825 . 1 1 3 HIS H H -4.086 1.286 -2.286 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 14 . 2826 . 1 1 3 HIS HA H -5.399 3.171 -0.550 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 14 . 2827 . 1 1 3 HIS HB3 H -4.897 4.730 -2.287 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2828 . 1 1 3 HIS HD1 H -3.240 3.393 -3.984 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2829 . 1 1 3 HIS HD2 H -7.281 3.440 -4.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2830 . 1 1 3 HIS HE1 H -3.357 2.777 -6.418 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2831 . 1 1 3 HIS N N -4.113 2.123 -1.780 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 14 . 2832 . 1 1 3 HIS ND1 N -4.081 3.326 -4.482 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 14 . 2833 . 1 1 3 HIS NE2 N -5.458 3.015 -6.092 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2834 . 1 1 3 HIS O O -6.877 1.355 -2.801 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 14 . 2835 . 1 1 4 . C C -8.064 -0.594 0.501 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 14 . 2836 . 1 1 4 . CA C -8.260 0.478 -0.568 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 14 . 2837 . 1 1 4 . CB C -9.581 1.215 -0.329 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 14 . 2838 . 1 1 4 . CD1 C -10.523 1.304 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2839 . 1 1 4 . CD2 C -10.074 3.360 -1.533 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2840 . 1 1 4 . CE1 C -10.972 2.000 -3.760 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2841 . 1 1 4 . CE2 C -10.522 4.061 -2.637 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2842 . 1 1 4 . CG C -10.070 1.974 -1.528 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 14 . 2843 . 1 1 4 . CZ C -10.972 3.379 -3.751 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 14 . 2844 . 1 1 4 . H H -6.840 1.799 0.281 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 14 . 2845 . 1 1 4 . HA H -8.293 0.002 -1.535 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 14 . 2846 . 1 1 4 . HB2 H -9.453 1.918 0.478 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 14 . 2847 . 1 1 4 . HB3 H -10.343 0.496 -0.059 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2848 . 1 1 4 . HD1 H -10.523 0.222 -2.663 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2849 . 1 1 4 . HD2 H -9.723 3.893 -0.662 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2850 . 1 1 4 . HE1 H -11.325 1.463 -4.630 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2851 . 1 1 4 . HE2 H -10.520 5.141 -2.628 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2852 . 1 1 4 . HZ H -11.322 3.928 -4.615 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 14 . 2853 . 1 1 4 . N N -7.150 1.422 -0.570 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 14 . 2854 . 1 1 4 . O O -8.716 -0.571 1.546 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 14 . 2855 . 1 1 5 MMO C C -5.458 -2.482 1.729 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 14 . 2856 . 1 1 5 MMO CA C -6.872 -2.607 1.170 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 14 . 2857 . 1 1 5 MMO CB C -7.044 -3.964 0.486 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 14 . 2858 . 1 1 5 MMO CD C -9.553 -3.828 0.487 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 14 . 2859 . 1 1 5 MMO CG C -8.308 -4.068 -0.351 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 14 . 2860 . 1 1 5 MMO CN C -6.426 -1.473 -1.041 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 14 . 2861 . 1 1 5 MMO CZ C -10.431 -4.521 2.677 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 14 . 2862 . 1 1 5 MMO HA H -7.578 -2.534 1.985 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 14 . 2863 . 1 1 5 MMO HC1 H -5.872 -0.538 -1.103 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 14 . 2864 . 1 1 5 MMO HC2 H -7.135 -1.530 -1.869 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 14 . 2865 . 1 1 5 MMO HC3 H -5.734 -2.311 -1.099 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 14 . 2866 . 1 1 5 MMO HCB1 H -6.196 -4.140 -0.161 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 14 . 2867 . 1 1 5 MMO HCB2 H -7.075 -4.734 1.242 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 14 . 2868 . 1 1 5 MMO HCD1 H -9.553 -2.804 0.822 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2869 . 1 1 5 MMO HCD2 H -10.425 -4.006 -0.127 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2870 . 1 1 5 MMO HCG1 H -8.270 -3.331 -1.140 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 14 . 2871 . 1 1 5 MMO HCG2 H -8.362 -5.057 -0.785 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 14 . 2872 . 1 1 5 MMO HH11 H -9.794 -6.143 3.701 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 14 . 2873 . 1 1 5 MMO HH12 H -11.041 -5.223 4.472 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 14 . 2874 . 1 1 5 MMO HH21 H -11.276 -2.853 1.910 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 14 . 2875 . 1 1 5 MMO HH22 H -11.885 -3.351 3.455 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 14 . 2876 . 1 1 5 MMO N N -7.157 -1.529 0.232 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 14 . 2877 . 1 1 5 MMO NE N -9.609 -4.709 1.651 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 14 . 2878 . 1 1 5 MMO NH1 N -10.420 -5.366 3.700 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 14 . 2879 . 1 1 5 MMO NH2 N -11.266 -3.490 2.680 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 14 . 2880 . 1 1 5 MMO O O -4.594 -1.852 1.121 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 14 . 2881 . 1 1 6 TRP C C -3.255 -1.689 3.313 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 14 . 2882 . 1 1 6 TRP CA C -3.922 -3.042 3.531 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 14 . 2883 . 1 1 6 TRP CB C -3.028 -4.159 2.988 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 14 . 2884 . 1 1 6 TRP CD1 C -2.424 -3.647 0.550 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2885 . 1 1 6 TRP CD2 C -3.978 -5.240 0.799 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2886 . 1 1 6 TRP CE2 C -3.739 -5.056 -0.577 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2887 . 1 1 6 TRP CE3 C -4.918 -6.196 1.198 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 14 . 2888 . 1 1 6 TRP CG C -3.127 -4.329 1.502 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 14 . 2889 . 1 1 6 TRP CH2 C -5.323 -6.719 -1.133 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 14 . 2890 . 1 1 6 TRP CZ2 C -4.408 -5.791 -1.552 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 14 . 2891 . 1 1 6 TRP CZ3 C -5.581 -6.923 0.228 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 14 . 2892 . 1 1 6 TRP H H -5.961 -3.575 3.326 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 14 . 2893 . 1 1 6 TRP HA H -4.067 -3.193 4.591 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 14 . 2894 . 1 1 6 TRP HB3 H -3.310 -5.094 3.452 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2895 . 1 1 6 TRP HD1 H -1.695 -2.881 0.765 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2896 . 1 1 6 TRP HE1 H -2.425 -3.743 -1.550 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2897 . 1 1 6 TRP HE3 H -5.131 -6.368 2.242 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 14 . 2898 . 1 1 6 TRP HH2 H -5.863 -7.310 -1.857 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 14 . 2899 . 1 1 6 TRP HZ2 H -4.220 -5.646 -2.607 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 14 . 2900 . 1 1 6 TRP HZ3 H -6.311 -7.665 0.518 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 14 . 2901 . 1 1 6 TRP N N -5.232 -3.087 2.889 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 14 . 2902 . 1 1 6 TRP NE1 N -2.787 -4.079 -0.703 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2903 . 1 1 6 TRP O O -2.348 -1.541 2.494 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 14 . 2904 . 1 1 7 PRO C C -1.755 0.785 4.525 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 14 . 2905 . 1 1 7 PRO CA C -3.173 0.684 3.970 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 14 . 2906 . 1 1 7 PRO CB C -4.141 1.508 4.823 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 14 . 2907 . 1 1 7 PRO CD C -4.791 -0.779 5.060 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 14 . 2908 . 1 1 7 PRO CG C -4.719 0.533 5.790 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 14 . 2909 . 1 1 7 PRO HA H -3.187 1.048 2.954 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 14 . 2910 . 1 1 7 PRO HB3 H -4.905 1.940 4.194 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2911 . 1 1 7 PRO HD3 H -5.752 -0.889 4.577 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 14 . 2912 . 1 1 7 PRO HG3 H -5.708 0.852 6.086 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 14 . 2913 . 1 1 7 PRO N N -3.713 -0.676 4.063 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 14 . 2914 . 1 1 7 PRO O O -1.555 0.803 5.739 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 14 . 2915 . 1 1 8 ILE C C 1.425 1.755 3.016 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 14 . 2916 . 1 1 8 ILE CA C 0.619 0.949 4.028 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 14 . 2917 . 1 1 8 ILE CB C 1.262 -0.443 4.185 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 14 . 2918 . 1 1 8 ILE CD1 C 1.864 -2.483 2.788 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2919 . 1 1 8 ILE CG1 C 0.906 -1.331 2.992 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 14 . 2920 . 1 1 8 ILE CG2 C 0.811 -1.091 5.487 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 14 . 2921 . 1 1 8 ILE H H -1.003 0.828 2.674 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 14 . 2922 . 1 1 8 ILE HA H 0.658 1.449 4.984 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 14 . 2923 . 1 1 8 ILE HB H 2.333 -0.320 4.226 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 14 . 2924 . 1 1 8 ILE HD11 H 2.877 -2.108 2.753 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 14 . 2925 . 1 1 8 ILE HD12 H 1.766 -3.182 3.604 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 14 . 2926 . 1 1 8 ILE HD13 H 1.635 -2.982 1.857 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 14 . 2927 . 1 1 8 ILE HG13 H 0.910 -0.732 2.094 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 14 . 2928 . 1 1 8 ILE HG21 H 0.725 -0.335 6.254 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 14 . 2929 . 1 1 8 ILE HG22 H -0.150 -1.563 5.340 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 14 . 2930 . 1 1 8 ILE HG23 H 1.535 -1.831 5.790 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 14 . 2931 . 1 1 8 ILE N N -0.778 0.849 3.628 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 14 . 2932 . 1 1 8 ILE O O 0.915 2.136 1.961 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 14 . 2933 . 1 1 9 CYS C C 4.806 1.959 2.096 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 14 . 2934 . 1 1 9 CYS CA C 3.566 2.772 2.460 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 14 . 2935 . 1 1 9 CYS CB C 3.981 4.084 3.128 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 14 . 2936 . 1 1 9 CYS H H 3.038 1.680 4.196 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 14 . 2937 . 1 1 9 CYS HA H 3.020 2.995 1.557 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 14 . 2938 . 1 1 9 CYS HB3 H 4.750 4.554 2.534 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2939 . 1 1 9 CYS N N 2.687 2.011 3.342 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 14 . 2940 . 1 1 9 CYS O O 5.117 0.957 2.740 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 14 . 2941 . 1 1 9 CYS SG S 2.621 5.280 3.326 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 14 . 2942 . 1 1 10 PHE C C 7.966 2.501 0.996 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 14 . 2943 . 1 1 10 PHE CA C 6.715 1.714 0.606 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 14 . 2944 . 1 1 10 PHE CB C 6.677 1.515 -0.909 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 14 . 2945 . 1 1 10 PHE CD1 C 6.616 -0.618 -2.231 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2946 . 1 1 10 PHE CD2 C 4.763 -0.107 -0.819 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2947 . 1 1 10 PHE CE1 C 6.000 -1.793 -2.617 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2948 . 1 1 10 PHE CE2 C 4.144 -1.280 -1.202 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2949 . 1 1 10 PHE CG C 6.005 0.238 -1.329 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 14 . 2950 . 1 1 10 PHE CZ C 4.762 -2.124 -2.104 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 14 . 2951 . 1 1 10 PHE H H 5.213 3.206 0.586 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 14 . 2952 . 1 1 10 PHE HA H 6.747 0.750 1.088 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 14 . 2953 . 1 1 10 PHE HB3 H 7.687 1.501 -1.290 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2954 . 1 1 10 PHE HD1 H 7.584 -0.359 -2.634 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2955 . 1 1 10 PHE HD2 H 4.278 0.554 -0.115 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2956 . 1 1 10 PHE HE1 H 6.488 -2.451 -3.322 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 14 . 2957 . 1 1 10 PHE HE2 H 3.176 -1.536 -0.799 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 14 . 2958 . 1 1 10 PHE HZ H 4.281 -3.044 -2.403 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 14 . 2959 . 1 1 10 PHE N N 5.511 2.400 1.059 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 14 . 2960 . 1 1 10 PHE O O 7.914 3.696 1.281 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 14 . 2961 . 1 1 11 PRO C C 10.886 3.404 0.296 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 14 . 2962 . 1 1 11 PRO CA C 10.401 2.423 1.359 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 14 . 2963 . 1 1 11 PRO CB C 11.349 1.226 1.454 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 14 . 2964 . 1 1 11 PRO CD C 9.251 0.383 0.678 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 14 . 2965 . 1 1 11 PRO CG C 10.740 0.189 0.575 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 14 . 2966 . 1 1 11 PRO HA H 10.355 2.923 2.315 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 14 . 2967 . 1 1 11 PRO HB3 H 11.411 0.890 2.476 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2968 . 1 1 11 PRO HD3 H 8.844 -0.234 1.466 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 14 . 2969 . 1 1 11 PRO HG3 H 11.013 -0.795 0.926 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 14 . 2970 . 1 1 11 PRO N N 9.116 1.811 1.007 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 14 . 2971 . 1 1 11 PRO O O 11.771 4.222 0.551 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 14 . 2972 . 1 1 12 ASP C C 9.780 5.436 -2.023 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 14 . 2973 . 1 1 12 ASP CA C 10.672 4.200 -1.993 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 14 . 2974 . 1 1 12 ASP CB C 10.578 3.455 -3.327 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 14 . 2975 . 1 1 12 ASP CG C 11.818 2.632 -3.617 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 14 . 2976 . 1 1 12 ASP H H 9.602 2.646 -1.035 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 14 . 2977 . 1 1 12 ASP HA H 11.693 4.512 -1.837 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 14 . 2978 . 1 1 12 ASP HB3 H 10.449 4.171 -4.124 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2979 . 1 1 12 ASP N N 10.301 3.317 -0.892 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 14 . 2980 . 1 1 12 ASP O O 10.235 6.536 -2.340 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 14 . 2981 . 1 1 12 ASP OD1 O 12.413 2.820 -4.699 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 14 . 2982 . 1 1 12 ASP OD2 O 12.191 1.798 -2.764 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 14 . 2983 . 1 1 13 GLY C C 6.277 6.026 -2.412 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 14 . 2984 . 1 1 13 GLY CA C 7.569 6.357 -1.692 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 14 . 2985 . 1 1 13 GLY H H 8.198 4.351 -1.450 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 14 . 2986 . 1 1 13 GLY HA2 H 7.341 6.620 -0.668 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 14 . 2987 . 1 1 13 GLY HA3 H 8.031 7.205 -2.177 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 14 . 2988 . 1 1 13 GLY N N 8.506 5.248 -1.695 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 14 . 2989 . 1 1 13 GLY O O 5.818 6.791 -3.260 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 14 . 2990 . 1 1 14 ARG C C 3.539 3.761 -1.682 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 14 . 2991 . 1 1 14 ARG CA C 4.444 4.450 -2.698 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 14 . 2992 . 1 1 14 ARG CB C 4.734 3.502 -3.862 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 14 . 2993 . 1 1 14 ARG CD C 3.487 4.279 -5.902 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 14 . 2994 . 1 1 14 ARG CG C 3.536 3.266 -4.769 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 14 . 2995 . 1 1 14 ARG CZ C 4.796 3.231 -7.700 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 14 . 2996 . 1 1 14 ARG H H 6.102 4.314 -1.391 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 14 . 2997 . 1 1 14 ARG HA H 3.941 5.329 -3.077 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 14 . 2998 . 1 1 14 ARG HB3 H 5.050 2.549 -3.466 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 14 . 2999 . 1 1 14 ARG HD3 H 3.452 5.272 -5.479 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 14 . 3000 . 1 1 14 ARG HE H 5.359 4.846 -6.674 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 14 . 3001 . 1 1 14 ARG HG3 H 2.632 3.349 -4.184 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 14 . 3002 . 1 1 14 ARG HH11 H 3.035 2.329 -7.296 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 14 . 3003 . 1 1 14 ARG HH12 H 3.968 1.600 -8.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 14 . 3004 . 1 1 14 ARG HH21 H 6.595 3.897 -8.338 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 14 . 3005 . 1 1 14 ARG HH22 H 5.993 2.492 -9.153 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 14 . 3006 . 1 1 14 ARG N N 5.689 4.882 -2.075 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 14 . 3007 . 1 1 14 ARG NE N 4.650 4.177 -6.778 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 14 . 3008 . 1 1 14 ARG NH1 N 3.857 2.311 -7.864 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 14 . 3009 . 1 1 14 ARG NH2 N 5.884 3.205 -8.459 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 14 . 3010 . 1 1 14 ARG O O 3.882 2.711 -1.140 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 15 . 3011 . 1 1 1 CYS C C 0.032 3.722 -1.209 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 15 . 3012 . 1 1 1 CYS CA C 0.990 4.286 -0.164 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 15 . 3013 . 1 1 1 CYS CB C 0.258 5.285 0.731 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 15 . 3014 . 1 1 1 CYS H1 H 2.172 5.903 -0.853 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 15 . 3015 . 1 1 1 CYS HA H 1.359 3.473 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 15 . 3016 . 1 1 1 CYS HB3 H -0.664 4.840 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3017 . 1 1 1 CYS N N 2.137 4.922 -0.802 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 15 . 3018 . 1 1 1 CYS O O -0.267 4.375 -2.211 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 15 . 3019 . 1 1 1 CYS SG S 1.207 5.808 2.195 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 15 . 3020 . 1 1 2 THR C C -2.814 1.983 -1.403 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 15 . 3021 . 1 1 2 THR CA C -1.374 1.856 -1.888 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 15 . 3022 . 1 1 2 THR CB C -1.035 0.362 -2.062 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 15 . 3023 . 1 1 2 THR CG2 C 0.379 0.188 -2.595 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 15 . 3024 . 1 1 2 THR H H -0.175 2.039 -0.154 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 15 . 3025 . 1 1 2 THR HA H -1.285 2.339 -2.850 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 15 . 3026 . 1 1 2 THR HB H -1.727 -0.067 -2.771 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 15 . 3027 . 1 1 2 THR HG1 H -1.846 -0.994 -0.881 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 15 . 3028 . 1 1 2 THR HG21 H 0.375 0.296 -3.671 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 15 . 3029 . 1 1 2 THR HG22 H 0.743 -0.795 -2.331 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 15 . 3030 . 1 1 2 THR HG23 H 1.023 0.938 -2.160 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 15 . 3031 . 1 1 2 THR N N -0.449 2.507 -0.969 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 15 . 3032 . 1 1 2 THR O O -3.069 2.083 -0.202 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 15 . 3033 . 1 1 2 THR OG1 O -1.166 -0.318 -0.810 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 15 . 3034 . 1 1 3 HIS C C -5.740 0.746 -1.594 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 15 . 3035 . 1 1 3 HIS CA C -5.169 2.096 -2.012 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 15 . 3036 . 1 1 3 HIS CB C -5.952 2.647 -3.203 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 15 . 3037 . 1 1 3 HIS CD2 C -5.506 5.189 -3.462 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3038 . 1 1 3 HIS CE1 C -4.113 5.100 -5.156 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3039 . 1 1 3 HIS CG C -5.349 3.886 -3.792 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 15 . 3040 . 1 1 3 HIS H H -3.488 1.899 -3.284 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 15 . 3041 . 1 1 3 HIS HA H -5.259 2.783 -1.184 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 15 . 3042 . 1 1 3 HIS HB3 H -6.956 2.884 -2.887 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3043 . 1 1 3 HIS HD1 H -4.161 3.062 -5.325 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3044 . 1 1 3 HIS HD2 H -6.125 5.581 -2.668 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3045 . 1 1 3 HIS HE1 H -3.437 5.389 -5.944 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3046 . 1 1 3 HIS N N -3.754 1.981 -2.343 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 15 . 3047 . 1 1 3 HIS ND1 N -4.474 3.865 -4.857 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 15 . 3048 . 1 1 3 HIS NE2 N -4.726 5.923 -4.323 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3049 . 1 1 3 HIS O O -4.999 -0.214 -1.375 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 15 . 3050 . 1 1 4 . C C -7.931 -0.615 0.420 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 15 . 3051 . 1 1 4 . CA C -7.736 -0.558 -1.092 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 15 . 3052 . 1 1 4 . CB C -9.087 -0.674 -1.797 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 15 . 3053 . 1 1 4 . CD1 C -10.118 1.431 -2.692 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3054 . 1 1 4 . CD2 C -10.596 0.805 -0.443 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3055 . 1 1 4 . CE1 C -10.911 2.554 -2.552 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3056 . 1 1 4 . CE2 C -11.389 1.926 -0.296 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3057 . 1 1 4 . CG C -9.951 0.544 -1.641 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 15 . 3058 . 1 1 4 . CZ C -11.549 2.800 -1.353 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 15 . 3059 . 1 1 4 . H H -7.601 1.474 -1.671 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 15 . 3060 . 1 1 4 . HA H -7.108 -1.384 -1.393 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 15 . 3061 . 1 1 4 . HB2 H -9.627 -1.515 -1.390 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 15 . 3062 . 1 1 4 . HB3 H -8.921 -0.832 -2.852 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3063 . 1 1 4 . HD1 H -9.620 1.239 -3.633 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3064 . 1 1 4 . HD2 H -10.473 0.120 0.384 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3065 . 1 1 4 . HE1 H -11.035 3.235 -3.380 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3066 . 1 1 4 . HE2 H -11.889 2.116 0.643 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3067 . 1 1 4 . HZ H -12.170 3.678 -1.242 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 15 . 3068 . 1 1 4 . N N -7.062 0.676 -1.483 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 15 . 3069 . 1 1 4 . O O -8.063 0.418 1.078 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 15 . 3070 . 1 1 5 MMO C C -6.817 -2.442 3.058 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 15 . 3071 . 1 1 5 MMO CA C -8.126 -2.019 2.398 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 15 . 3072 . 1 1 5 MMO CB C -9.206 -3.069 2.663 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 15 . 3073 . 1 1 5 MMO CD C -11.653 -3.594 2.436 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 15 . 3074 . 1 1 5 MMO CG C -10.458 -2.881 1.824 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 15 . 3075 . 1 1 5 MMO CN C -7.781 -3.003 0.099 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 15 . 3076 . 1 1 5 MMO CZ C -12.710 -3.784 4.648 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 15 . 3077 . 1 1 5 MMO HA H -8.440 -1.076 2.823 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 15 . 3078 . 1 1 5 MMO HC1 H -7.896 -3.910 0.690 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 15 . 3079 . 1 1 5 MMO HC2 H -6.787 -2.986 -0.348 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 15 . 3080 . 1 1 5 MMO HC3 H -8.533 -2.985 -0.688 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 15 . 3081 . 1 1 5 MMO HCB1 H -8.800 -4.047 2.450 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 15 . 3082 . 1 1 5 MMO HCB2 H -9.486 -3.024 3.706 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 15 . 3083 . 1 1 5 MMO HCD1 H -12.518 -3.414 1.817 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3084 . 1 1 5 MMO HCD2 H -11.445 -4.654 2.465 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3085 . 1 1 5 MMO HCG1 H -10.679 -1.825 1.756 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 15 . 3086 . 1 1 5 MMO HCG2 H -10.280 -3.277 0.836 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 15 . 3087 . 1 1 5 MMO HH11 H -12.489 -2.434 6.135 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 15 . 3088 . 1 1 5 MMO HH12 H -13.503 -3.789 6.507 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 15 . 3089 . 1 1 5 MMO HH21 H -13.125 -5.295 3.374 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 15 . 3090 . 1 1 5 MMO HH22 H -13.864 -5.418 4.937 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 15 . 3091 . 1 1 5 MMO N N -7.947 -1.827 0.964 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 15 . 3092 . 1 1 5 MMO NE N -11.934 -3.128 3.791 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 15 . 3093 . 1 1 5 MMO NH1 N -12.919 -3.294 5.864 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 15 . 3094 . 1 1 5 MMO NH2 N -13.281 -4.926 4.291 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 15 . 3095 . 1 1 5 MMO O O -6.817 -3.165 4.054 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 15 . 3096 . 1 1 6 TRP C C -3.468 -1.103 3.007 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 15 . 3097 . 1 1 6 TRP CA C -4.386 -2.320 3.027 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 15 . 3098 . 1 1 6 TRP CB C -3.760 -3.461 2.223 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 15 . 3099 . 1 1 6 TRP CD1 C -1.479 -4.423 2.882 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3100 . 1 1 6 TRP CD2 C -3.188 -5.187 4.110 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3101 . 1 1 6 TRP CE2 C -2.001 -5.789 4.571 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3102 . 1 1 6 TRP CE3 C -4.396 -5.514 4.736 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 15 . 3103 . 1 1 6 TRP CG C -2.832 -4.317 3.030 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 15 . 3104 . 1 1 6 TRP CH2 C -3.184 -7.002 6.217 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 15 . 3105 . 1 1 6 TRP CZ2 C -1.988 -6.699 5.625 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 15 . 3106 . 1 1 6 TRP CZ3 C -4.382 -6.418 5.780 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 15 . 3107 . 1 1 6 TRP H H -5.766 -1.415 1.701 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 15 . 3108 . 1 1 6 TRP HA H -4.515 -2.641 4.051 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 15 . 3109 . 1 1 6 TRP HB3 H -3.200 -3.044 1.399 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3110 . 1 1 6 TRP HD1 H -0.905 -3.887 2.143 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3111 . 1 1 6 TRP HE1 H -0.027 -5.552 3.899 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3112 . 1 1 6 TRP HE3 H -5.329 -5.076 4.413 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 15 . 3113 . 1 1 6 TRP HH2 H -3.220 -7.704 7.037 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 15 . 3114 . 1 1 6 TRP HZ2 H -1.074 -7.157 5.973 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 15 . 3115 . 1 1 6 TRP HZ3 H -5.302 -6.684 6.275 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 15 . 3116 . 1 1 6 TRP N N -5.703 -1.986 2.495 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 15 . 3117 . 1 1 6 TRP NE1 N -0.973 -5.308 3.805 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3118 . 1 1 6 TRP O O -2.661 -0.921 2.094 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 15 . 3119 . 1 1 7 PRO C C -1.315 0.654 4.459 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 15 . 3120 . 1 1 7 PRO CA C -2.776 0.964 4.155 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 15 . 3121 . 1 1 7 PRO CB C -3.420 1.705 5.329 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 15 . 3122 . 1 1 7 PRO CD C -4.529 -0.405 5.157 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 15 . 3123 . 1 1 7 PRO CG C -4.074 0.640 6.138 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 15 . 3124 . 1 1 7 PRO HA H -2.838 1.573 3.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 15 . 3125 . 1 1 7 PRO HB3 H -4.141 2.419 4.957 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3126 . 1 1 7 PRO HD3 H -5.543 -0.208 4.839 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 15 . 3127 . 1 1 7 PRO HG3 H -4.922 1.050 6.668 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 15 . 3128 . 1 1 7 PRO N N -3.589 -0.250 4.034 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 15 . 3129 . 1 1 7 PRO O O -0.950 0.395 5.606 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 15 . 3130 . 1 1 8 ILE C C 1.774 1.251 2.622 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 15 . 3131 . 1 1 8 ILE CA C 0.942 0.408 3.581 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 15 . 3132 . 1 1 8 ILE CB C 1.256 -1.081 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 15 . 3133 . 1 1 8 ILE CD1 C 2.026 -1.382 0.937 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3134 . 1 1 8 ILE CG1 C 0.878 -1.483 1.916 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 15 . 3135 . 1 1 8 ILE CG2 C 0.519 -1.946 4.355 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 15 . 3136 . 1 1 8 ILE H H -0.832 0.896 2.533 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 15 . 3137 . 1 1 8 ILE HA H 1.219 0.655 4.595 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 15 . 3138 . 1 1 8 ILE HB H 2.315 -1.229 3.482 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 15 . 3139 . 1 1 8 ILE HD11 H 1.772 -0.686 0.152 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 15 . 3140 . 1 1 8 ILE HD12 H 2.911 -1.037 1.453 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 15 . 3141 . 1 1 8 ILE HD13 H 2.217 -2.354 0.504 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 15 . 3142 . 1 1 8 ILE HG13 H 0.086 -0.838 1.566 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 15 . 3143 . 1 1 8 ILE HG21 H 0.672 -1.549 5.347 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 15 . 3144 . 1 1 8 ILE HG22 H -0.537 -1.947 4.128 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 15 . 3145 . 1 1 8 ILE HG23 H 0.898 -2.956 4.308 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 15 . 3146 . 1 1 8 ILE N N -0.482 0.685 3.424 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 15 . 3147 . 1 1 8 ILE O O 1.421 1.412 1.452 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 15 . 3148 . 1 1 9 CYS C C 5.080 1.885 2.025 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 15 . 3149 . 1 1 9 CYS CA C 3.768 2.611 2.311 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 15 . 3150 . 1 1 9 CYS CB C 4.052 3.939 3.016 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 15 . 3151 . 1 1 9 CYS H H 3.112 1.621 4.061 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 15 . 3152 . 1 1 9 CYS HA H 3.270 2.811 1.375 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 15 . 3153 . 1 1 9 CYS HB3 H 4.716 4.529 2.403 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3154 . 1 1 9 CYS N N 2.884 1.786 3.122 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 15 . 3155 . 1 1 9 CYS O O 5.573 1.122 2.854 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 15 . 3156 . 1 1 9 CYS SG S 2.564 4.937 3.343 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 15 . 3157 . 1 1 10 PHE C C 8.086 2.348 0.867 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 15 . 3158 . 1 1 10 PHE CA C 6.892 1.498 0.447 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 15 . 3159 . 1 1 10 PHE CB C 6.918 1.271 -1.065 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 15 . 3160 . 1 1 10 PHE CD1 C 6.722 -1.226 -0.938 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3161 . 1 1 10 PHE CD2 C 5.287 -0.052 -2.437 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3162 . 1 1 10 PHE CE1 C 6.152 -2.425 -1.326 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3163 . 1 1 10 PHE CE2 C 4.714 -1.247 -2.828 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3164 . 1 1 10 PHE CG C 6.297 -0.028 -1.488 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 15 . 3165 . 1 1 10 PHE CZ C 5.146 -2.435 -2.272 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 15 . 3166 . 1 1 10 PHE H H 5.197 2.746 0.224 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 15 . 3167 . 1 1 10 PHE HA H 6.955 0.542 0.948 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 15 . 3168 . 1 1 10 PHE HB3 H 7.943 1.278 -1.405 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3169 . 1 1 10 PHE HD1 H 7.510 -1.220 -0.198 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3170 . 1 1 10 PHE HD2 H 4.948 0.876 -2.874 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3171 . 1 1 10 PHE HE1 H 6.492 -3.350 -0.888 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 15 . 3172 . 1 1 10 PHE HE2 H 3.928 -1.252 -3.569 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 15 . 3173 . 1 1 10 PHE HZ H 4.699 -3.369 -2.576 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 15 . 3174 . 1 1 10 PHE N N 5.639 2.128 0.844 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 15 . 3175 . 1 1 10 PHE O O 7.966 3.546 1.131 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 15 . 3176 . 1 1 11 PRO C C 10.981 3.389 0.256 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 15 . 3177 . 1 1 11 PRO CA C 10.509 2.400 1.317 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 15 . 3178 . 1 1 11 PRO CB C 11.512 1.254 1.463 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 15 . 3179 . 1 1 11 PRO CD C 9.488 0.295 0.628 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 15 . 3180 . 1 1 11 PRO CG C 10.986 0.175 0.580 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 15 . 3181 . 1 1 11 PRO HA H 10.403 2.911 2.262 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 15 . 3182 . 1 1 11 PRO HB3 H 11.553 0.936 2.494 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3183 . 1 1 11 PRO HD3 H 9.084 -0.330 1.410 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 15 . 3184 . 1 1 11 PRO HG3 H 11.297 -0.789 0.956 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 15 . 3185 . 1 1 11 PRO N N 9.270 1.720 0.929 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 15 . 3186 . 1 1 11 PRO O O 11.916 4.158 0.485 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 15 . 3187 . 1 1 12 ASP C C 9.780 5.493 -2.003 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 15 . 3188 . 1 1 12 ASP CA C 10.683 4.262 -1.995 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 15 . 3189 . 1 1 12 ASP CB C 10.581 3.532 -3.335 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 15 . 3190 . 1 1 12 ASP CG C 11.731 2.568 -3.558 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 15 . 3191 . 1 1 12 ASP H H 9.593 2.730 -1.021 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 15 . 3192 . 1 1 12 ASP HA H 11.704 4.582 -1.847 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 15 . 3193 . 1 1 12 ASP HB3 H 10.584 4.257 -4.135 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3194 . 1 1 12 ASP N N 10.330 3.365 -0.902 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 15 . 3195 . 1 1 12 ASP O O 10.202 6.582 -2.387 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 15 . 3196 . 1 1 12 ASP OD1 O 12.879 3.037 -3.700 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 15 . 3197 . 1 1 12 ASP OD2 O 11.482 1.345 -3.586 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 15 . 3198 . 1 1 13 GLY C C 6.307 6.097 -2.284 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 15 . 3199 . 1 1 13 GLY CA C 7.592 6.411 -1.544 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 15 . 3200 . 1 1 13 GLY H H 8.254 4.416 -1.282 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 15 . 3201 . 1 1 13 GLY HA2 H 7.355 6.638 -0.515 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 15 . 3202 . 1 1 13 GLY HA3 H 8.051 7.276 -1.997 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 15 . 3203 . 1 1 13 GLY N N 8.535 5.308 -1.578 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 15 . 3204 . 1 1 13 GLY O O 6.133 6.491 -3.436 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 15 . 3205 . 1 1 14 ARG C C 3.237 4.294 -1.215 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 15 . 3206 . 1 1 14 ARG CA C 4.128 5.013 -2.225 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 15 . 3207 . 1 1 14 ARG CB C 4.358 4.119 -3.445 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 15 . 3208 . 1 1 14 ARG CD C 2.275 4.697 -4.728 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 15 . 3209 . 1 1 14 ARG CG C 3.075 3.588 -4.061 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 15 . 3210 . 1 1 14 ARG CZ C 3.190 4.698 -7.010 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 15 . 3211 . 1 1 14 ARG H H 5.598 5.096 -0.705 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 15 . 3212 . 1 1 14 ARG HA H 3.635 5.921 -2.541 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 15 . 3213 . 1 1 14 ARG HB3 H 4.966 3.277 -3.150 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 15 . 3214 . 1 1 14 ARG HD3 H 2.062 5.461 -3.994 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 15 . 3215 . 1 1 14 ARG HE H 3.367 6.201 -5.713 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 15 . 3216 . 1 1 14 ARG HG3 H 2.472 3.139 -3.285 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 15 . 3217 . 1 1 14 ARG HH11 H 2.199 3.015 -6.490 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 15 . 3218 . 1 1 14 ARG HH12 H 2.849 3.030 -8.097 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 15 . 3219 . 1 1 14 ARG HH21 H 4.226 6.230 -7.825 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 15 . 3220 . 1 1 14 ARG HH22 H 4.002 4.857 -8.854 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 15 . 3221 . 1 1 14 ARG N N 5.402 5.382 -1.622 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 15 . 3222 . 1 1 14 ARG NE N 3.002 5.302 -5.842 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 15 . 3223 . 1 1 14 ARG NH1 N 2.706 3.479 -7.217 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 15 . 3224 . 1 1 14 ARG NH2 N 3.861 5.311 -7.977 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 15 . 3225 . 1 1 14 ARG O O 3.463 3.126 -0.894 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 16 . 3226 . 1 1 1 CYS C C 0.113 3.783 -1.269 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 16 . 3227 . 1 1 1 CYS CA C 1.111 4.346 -0.262 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 16 . 3228 . 1 1 1 CYS CB C 0.450 5.452 0.564 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 16 . 3229 . 1 1 1 CYS H1 H 2.360 5.822 -1.125 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 16 . 3230 . 1 1 1 CYS HA H 1.423 3.554 0.399 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 16 . 3231 . 1 1 1 CYS HB3 H -0.564 5.162 0.794 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3232 . 1 1 1 CYS N N 2.297 4.861 -0.937 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 16 . 3233 . 1 1 1 CYS O O -0.130 4.379 -2.318 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 16 . 3234 . 1 1 1 CYS SG S 1.296 5.812 2.138 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 16 . 3235 . 1 1 2 THR C C -2.855 2.204 -1.317 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 16 . 3236 . 1 1 2 THR CA C -1.432 1.984 -1.818 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 16 . 3237 . 1 1 2 THR CB C -1.167 0.471 -1.931 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 16 . 3238 . 1 1 2 THR CG2 C -1.090 0.043 -3.388 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 16 . 3239 . 1 1 2 THR H H -0.226 2.205 -0.092 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 16 . 3240 . 1 1 2 THR HA H -1.336 2.419 -2.802 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 16 . 3241 . 1 1 2 THR HB H -1.983 -0.057 -1.458 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 16 . 3242 . 1 1 2 THR HG1 H 0.156 -0.818 -1.239 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 16 . 3243 . 1 1 2 THR HG21 H -0.518 -0.870 -3.464 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 16 . 3244 . 1 1 2 THR HG22 H -0.610 0.817 -3.965 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 16 . 3245 . 1 1 2 THR HG23 H -2.087 -0.125 -3.766 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 16 . 3246 . 1 1 2 THR N N -0.462 2.629 -0.943 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 16 . 3247 . 1 1 2 THR O O -3.067 2.624 -0.178 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 16 . 3248 . 1 1 2 THR OG1 O 0.055 0.137 -1.262 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 16 . 3249 . 1 1 3 HIS C C -5.866 0.744 -1.458 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 16 . 3250 . 1 1 3 HIS CA C -5.233 2.084 -1.819 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 16 . 3251 . 1 1 3 HIS CB C -6.002 2.728 -2.973 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 16 . 3252 . 1 1 3 HIS CD2 C -5.657 0.745 -4.610 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3253 . 1 1 3 HIS CE1 C -5.449 1.894 -6.466 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3254 . 1 1 3 HIS CG C -5.774 2.055 -4.293 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 16 . 3255 . 1 1 3 HIS H H -3.598 1.588 -3.068 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 16 . 3256 . 1 1 3 HIS HA H -5.283 2.735 -0.959 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 16 . 3257 . 1 1 3 HIS HB3 H -5.699 3.760 -3.070 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3258 . 1 1 3 HIS HD1 H -5.674 3.722 -5.577 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3259 . 1 1 3 HIS HD2 H -5.713 -0.088 -3.925 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3260 . 1 1 3 HIS HE1 H -5.310 2.150 -7.506 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3261 . 1 1 3 HIS N N -3.829 1.919 -2.174 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 16 . 3262 . 1 1 3 HIS ND1 N -5.637 2.749 -5.477 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 16 . 3263 . 1 1 3 HIS NE2 N -5.457 0.671 -5.967 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3264 . 1 1 3 HIS O O -5.182 -0.279 -1.394 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 16 . 3265 . 1 1 4 . C C -8.044 -0.584 0.648 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 16 . 3266 . 1 1 4 . CA C -7.895 -0.463 -0.866 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 16 . 3267 . 1 1 4 . CB C -9.275 -0.472 -1.528 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 16 . 3268 . 1 1 4 . CD1 C -10.342 -2.416 -2.704 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3269 . 1 1 4 . CD2 C -8.507 -1.321 -3.760 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3270 . 1 1 4 . CE1 C -10.438 -3.292 -3.768 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3271 . 1 1 4 . CE2 C -8.597 -2.194 -4.829 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3272 . 1 1 4 . CG C -9.376 -1.422 -2.687 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 16 . 3273 . 1 1 4 . CZ C -9.565 -3.179 -4.834 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 16 . 3274 . 1 1 4 . H H -7.662 1.600 -1.286 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 16 . 3275 . 1 1 4 . HA H -7.326 -1.304 -1.229 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 16 . 3276 . 1 1 4 . HB2 H -9.500 0.519 -1.892 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 16 . 3277 . 1 1 4 . HB3 H -10.015 -0.758 -0.797 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3278 . 1 1 4 . HD1 H -11.026 -2.503 -1.871 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3279 . 1 1 4 . HD2 H -7.748 -0.550 -3.759 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3280 . 1 1 4 . HE1 H -11.196 -4.061 -3.769 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3281 . 1 1 4 . HE2 H -7.913 -2.106 -5.659 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3282 . 1 1 4 . HZ H -9.637 -3.863 -5.666 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 16 . 3283 . 1 1 4 . N N -7.173 0.754 -1.222 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 16 . 3284 . 1 1 4 . O O -8.039 0.416 1.365 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 16 . 3285 . 1 1 5 MMO C C -7.007 -2.523 3.167 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 16 . 3286 . 1 1 5 MMO CA C -8.326 -2.071 2.553 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 16 . 3287 . 1 1 5 MMO CB C -9.403 -3.131 2.793 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 16 . 3288 . 1 1 5 MMO CD C -11.106 -2.087 4.319 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 16 . 3289 . 1 1 5 MMO CG C -9.981 -3.104 4.201 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 16 . 3290 . 1 1 5 MMO CN C -8.172 -2.953 0.192 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 16 . 3291 . 1 1 5 MMO CZ C -11.414 0.258 4.991 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 16 . 3292 . 1 1 5 MMO HA H -8.632 -1.149 3.024 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 16 . 3293 . 1 1 5 MMO HC1 H -8.978 -2.831 -0.533 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 16 . 3294 . 1 1 5 MMO HC2 H -8.319 -3.879 0.748 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 16 . 3295 . 1 1 5 MMO HC3 H -7.217 -2.990 -0.330 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 16 . 3296 . 1 1 5 MMO HCB1 H -10.212 -2.973 2.093 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 16 . 3297 . 1 1 5 MMO HCB2 H -8.975 -4.108 2.625 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 16 . 3298 . 1 1 5 MMO HCD1 H -11.546 -1.939 3.344 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3299 . 1 1 5 MMO HCD2 H -11.854 -2.476 4.994 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3300 . 1 1 5 MMO HCG1 H -10.370 -4.082 4.439 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 16 . 3301 . 1 1 5 MMO HCG2 H -9.198 -2.843 4.897 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 16 . 3302 . 1 1 5 MMO HH11 H -9.936 1.451 5.685 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 16 . 3303 . 1 1 5 MMO HH12 H -11.497 2.190 5.581 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 16 . 3304 . 1 1 5 MMO HH21 H -13.088 -0.666 4.341 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 16 . 3305 . 1 1 5 MMO HH22 H -13.292 0.987 4.818 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 16 . 3306 . 1 1 5 MMO N N -8.178 -1.817 1.126 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 16 . 3307 . 1 1 5 MMO NE N -10.631 -0.802 4.826 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 16 . 3308 . 1 1 5 MMO NH1 N -10.908 1.392 5.458 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 16 . 3309 . 1 1 5 MMO NH2 N -12.704 0.187 4.693 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 16 . 3310 . 1 1 5 MMO O O -6.987 -3.299 4.124 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 16 . 3311 . 1 1 6 TRP C C -3.590 -1.249 2.881 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 16 . 3312 . 1 1 6 TRP CA C -4.576 -2.391 3.102 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 16 . 3313 . 1 1 6 TRP CB C -4.075 -3.658 2.407 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 16 . 3314 . 1 1 6 TRP CD1 C -4.002 -5.404 4.281 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3315 . 1 1 6 TRP CD2 C -5.474 -5.860 2.655 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3316 . 1 1 6 TRP CE2 C -5.530 -6.890 3.616 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3317 . 1 1 6 TRP CE3 C -6.312 -5.932 1.540 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 16 . 3318 . 1 1 6 TRP CG C -4.489 -4.921 3.102 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 16 . 3319 . 1 1 6 TRP CH2 C -7.204 -8.019 2.389 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 16 . 3320 . 1 1 6 TRP CZ2 C -6.393 -7.975 3.490 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 16 . 3321 . 1 1 6 TRP CZ3 C -7.167 -7.010 1.417 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 16 . 3322 . 1 1 6 TRP H H -5.982 -1.422 1.849 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 16 . 3323 . 1 1 6 TRP HA H -4.657 -2.581 4.162 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 16 . 3324 . 1 1 6 TRP HB3 H -2.996 -3.635 2.369 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3325 . 1 1 6 TRP HD1 H -3.238 -4.918 4.868 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3326 . 1 1 6 TRP HE1 H -4.448 -7.129 5.395 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3327 . 1 1 6 TRP HE3 H -6.298 -5.163 0.780 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 16 . 3328 . 1 1 6 TRP HH2 H -7.887 -8.842 2.253 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 16 . 3329 . 1 1 6 TRP HZ2 H -6.433 -8.759 4.230 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 16 . 3330 . 1 1 6 TRP HZ3 H -7.823 -7.082 0.563 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 16 . 3331 . 1 1 6 TRP N N -5.903 -2.035 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 16 . 3332 . 1 1 6 TRP NE1 N -4.623 -6.589 4.595 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3333 . 1 1 6 TRP O O -2.787 -1.265 1.948 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 16 . 3334 . 1 1 7 PRO C C -1.321 0.588 4.024 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 16 . 3335 . 1 1 7 PRO CA C -2.766 0.932 3.679 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 16 . 3336 . 1 1 7 PRO CB C -3.351 1.889 4.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 16 . 3337 . 1 1 7 PRO CD C -4.581 -0.154 4.896 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 16 . 3338 . 1 1 7 PRO CG C -4.055 1.005 5.694 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 16 . 3339 . 1 1 7 PRO HA H -2.805 1.392 2.704 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 16 . 3340 . 1 1 7 PRO HB3 H -4.035 2.573 4.242 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3341 . 1 1 7 PRO HD3 H -5.586 0.049 4.554 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 16 . 3342 . 1 1 7 PRO HG3 H -4.871 1.544 6.154 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 16 . 3343 . 1 1 7 PRO N N -3.651 -0.237 3.759 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 16 . 3344 . 1 1 7 PRO O O -0.981 0.390 5.190 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 16 . 3345 . 1 1 8 ILE C C 1.825 1.143 2.385 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 16 . 3346 . 1 1 8 ILE CA C 0.935 0.206 3.196 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 16 . 3347 . 1 1 8 ILE CB C 1.245 -1.248 2.800 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 16 . 3348 . 1 1 8 ILE CD1 C 1.676 -2.350 0.546 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3349 . 1 1 8 ILE CG1 C 0.719 -1.541 1.393 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 16 . 3350 . 1 1 8 ILE CG2 C 0.640 -2.212 3.809 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 16 . 3351 . 1 1 8 ILE H H -0.807 0.692 2.094 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 16 . 3352 . 1 1 8 ILE HA H 1.161 0.330 4.246 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 16 . 3353 . 1 1 8 ILE HB H 2.317 -1.380 2.812 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 16 . 3354 . 1 1 8 ILE HD11 H 1.289 -3.349 0.418 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 16 . 3355 . 1 1 8 ILE HD12 H 1.790 -1.879 -0.419 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 16 . 3356 . 1 1 8 ILE HD13 H 2.639 -2.398 1.037 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 16 . 3357 . 1 1 8 ILE HG13 H 0.534 -0.606 0.884 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 16 . 3358 . 1 1 8 ILE HG21 H 0.128 -1.654 4.580 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 16 . 3359 . 1 1 8 ILE HG22 H -0.066 -2.860 3.310 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 16 . 3360 . 1 1 8 ILE HG23 H 1.423 -2.807 4.254 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 16 . 3361 . 1 1 8 ILE N N -0.474 0.523 3.000 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 16 . 3362 . 1 1 8 ILE O O 1.553 1.421 1.217 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 16 . 3363 . 1 1 9 CYS C C 5.184 1.862 2.155 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 16 . 3364 . 1 1 9 CYS CA C 3.825 2.531 2.351 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 16 . 3365 . 1 1 9 CYS CB C 3.989 3.815 3.167 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 16 . 3366 . 1 1 9 CYS H H 3.056 1.369 3.945 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 16 . 3367 . 1 1 9 CYS HA H 3.416 2.780 1.383 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 16 . 3368 . 1 1 9 CYS HB3 H 4.715 4.450 2.683 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3369 . 1 1 9 CYS N N 2.891 1.628 3.013 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 16 . 3370 . 1 1 9 CYS O O 5.671 1.156 3.036 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 16 . 3371 . 1 1 9 CYS SG S 2.452 4.774 3.358 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 16 . 3372 . 1 1 10 PHE C C 8.216 2.481 1.046 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 16 . 3373 . 1 1 10 PHE CA C 7.090 1.517 0.684 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 16 . 3374 . 1 1 10 PHE CB C 7.168 1.160 -0.802 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 16 . 3375 . 1 1 10 PHE CD1 C 7.603 -1.237 -1.404 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3376 . 1 1 10 PHE CD2 C 5.345 -0.535 -1.105 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3377 . 1 1 10 PHE CE1 C 7.169 -2.519 -1.688 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3378 . 1 1 10 PHE CE2 C 4.905 -1.815 -1.388 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3379 . 1 1 10 PHE CG C 6.696 -0.232 -1.109 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 16 . 3380 . 1 1 10 PHE CZ C 5.818 -2.809 -1.680 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 16 . 3381 . 1 1 10 PHE H H 5.349 2.669 0.333 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 16 . 3382 . 1 1 10 PHE HA H 7.201 0.618 1.268 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 16 . 3383 . 1 1 10 PHE HB3 H 8.194 1.243 -1.130 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3384 . 1 1 10 PHE HD1 H 8.658 -1.014 -1.411 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3385 . 1 1 10 PHE HD2 H 4.628 0.242 -0.876 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3386 . 1 1 10 PHE HE1 H 7.885 -3.293 -1.916 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 16 . 3387 . 1 1 10 PHE HE2 H 3.847 -2.038 -1.379 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 16 . 3388 . 1 1 10 PHE HZ H 5.477 -3.808 -1.901 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 16 . 3389 . 1 1 10 PHE N N 5.788 2.096 0.996 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 16 . 3390 . 1 1 10 PHE O O 8.008 3.683 1.209 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 16 . 3391 . 1 1 11 PRO C C 11.044 3.666 0.392 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 16 . 3392 . 1 1 11 PRO CA C 10.620 2.736 1.524 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 16 . 3393 . 1 1 11 PRO CB C 11.696 1.677 1.777 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 16 . 3394 . 1 1 11 PRO CD C 9.757 0.516 0.998 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 16 . 3395 . 1 1 11 PRO CG C 11.261 0.496 0.981 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 16 . 3396 . 1 1 11 PRO HA H 10.462 3.314 2.424 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 16 . 3397 . 1 1 11 PRO HB3 H 11.738 1.446 2.832 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3398 . 1 1 11 PRO HD3 H 9.380 -0.070 1.824 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 16 . 3399 . 1 1 11 PRO HG3 H 11.627 -0.411 1.438 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 16 . 3400 . 1 1 11 PRO N N 9.438 1.942 1.178 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 16 . 3401 . 1 1 11 PRO O O 11.921 4.512 0.569 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 16 . 3402 . 1 1 12 ASP C C 9.818 5.553 -1.986 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 16 . 3403 . 1 1 12 ASP CA C 10.729 4.331 -1.927 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 16 . 3404 . 1 1 12 ASP CB C 10.593 3.514 -3.214 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 16 . 3405 . 1 1 12 ASP CG C 11.362 4.122 -4.370 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 16 . 3406 . 1 1 12 ASP H H 9.728 2.812 -0.845 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 16 . 3407 . 1 1 12 ASP HA H 11.751 4.665 -1.830 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 16 . 3408 . 1 1 12 ASP HB3 H 9.549 3.460 -3.489 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3409 . 1 1 12 ASP N N 10.418 3.503 -0.768 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 16 . 3410 . 1 1 12 ASP O O 10.261 6.656 -2.298 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 16 . 3411 . 1 1 12 ASP OD1 O 11.469 3.461 -5.423 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 16 . 3412 . 1 1 12 ASP OD2 O 11.858 5.258 -4.220 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 16 . 3413 . 1 1 13 GLY C C 6.292 6.064 -2.407 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 16 . 3414 . 1 1 13 GLY CA C 7.585 6.437 -1.709 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 16 . 3415 . 1 1 13 GLY H H 8.243 4.442 -1.440 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 16 . 3416 . 1 1 13 GLY HA2 H 7.361 6.729 -0.693 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 16 . 3417 . 1 1 13 GLY HA3 H 8.028 7.276 -2.223 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 16 . 3418 . 1 1 13 GLY N N 8.540 5.346 -1.683 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 16 . 3419 . 1 1 13 GLY O O 5.982 6.589 -3.475 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 16 . 3420 . 1 1 14 ARG C C 3.359 4.133 -1.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 16 . 3421 . 1 1 14 ARG CA C 4.275 4.703 -2.375 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 16 . 3422 . 1 1 14 ARG CB C 4.524 3.649 -3.456 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 16 . 3423 . 1 1 14 ARG CD C 2.377 2.830 -4.477 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 16 . 3424 . 1 1 14 ARG CG C 3.577 3.753 -4.640 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 16 . 3425 . 1 1 14 ARG CZ C 1.114 3.199 -6.554 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 16 . 3426 . 1 1 14 ARG H H 5.840 4.767 -0.953 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 16 . 3427 . 1 1 14 ARG HA H 3.792 5.557 -2.826 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 16 . 3428 . 1 1 14 ARG HB3 H 4.412 2.668 -3.017 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 16 . 3429 . 1 1 14 ARG HD3 H 1.610 3.353 -3.927 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 16 . 3430 . 1 1 14 ARG HE H 2.017 1.490 -6.057 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 16 . 3431 . 1 1 14 ARG HG3 H 4.108 3.482 -5.540 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 16 . 3432 . 1 1 14 ARG HH11 H 1.198 4.792 -5.315 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 16 . 3433 . 1 1 14 ARG HH12 H 0.310 5.039 -6.782 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 16 . 3434 . 1 1 14 ARG HH21 H 0.849 1.802 -7.991 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 16 . 3435 . 1 1 14 ARG HH22 H 0.113 3.337 -8.303 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 16 . 3436 . 1 1 14 ARG N N 5.538 5.149 -1.803 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 16 . 3437 . 1 1 14 ARG NE N 1.835 2.409 -5.766 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 16 . 3438 . 1 1 14 ARG NH1 N 0.853 4.444 -6.187 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 16 . 3439 . 1 1 14 ARG NH2 N 0.653 2.742 -7.711 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 16 . 3440 . 1 1 14 ARG O O 3.495 2.976 -0.901 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 17 . 3441 . 1 1 1 CYS C C 0.271 3.844 -1.157 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 17 . 3442 . 1 1 1 CYS CA C 1.532 4.151 -0.353 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 17 . 3443 . 1 1 1 CYS CB C 1.450 5.562 0.229 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 17 . 3444 . 1 1 1 CYS H1 H 3.321 4.783 -1.294 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 17 . 3445 . 1 1 1 CYS HA H 1.610 3.440 0.457 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 17 . 3446 . 1 1 1 CYS HB3 H 0.634 5.606 0.932 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3447 . 1 1 1 CYS N N 2.725 4.013 -1.183 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 17 . 3448 . 1 1 1 CYS O O -0.046 4.540 -2.122 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 17 . 3449 . 1 1 1 CYS SG S 2.961 6.102 1.093 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 17 . 3450 . 1 1 2 THR C C -2.881 3.102 -0.837 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 17 . 3451 . 1 1 2 THR CA C -1.667 2.400 -1.433 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 17 . 3452 . 1 1 2 THR CB C -1.880 0.875 -1.360 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 17 . 3453 . 1 1 2 THR CG2 C -2.275 0.453 0.046 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 17 . 3454 . 1 1 2 THR H H -0.137 2.285 0.024 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 17 . 3455 . 1 1 2 THR HA H -1.577 2.680 -2.474 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 17 . 3456 . 1 1 2 THR HB H -0.953 0.386 -1.622 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 17 . 3457 . 1 1 2 THR HG1 H -3.249 -0.378 -2.029 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 17 . 3458 . 1 1 2 THR HG21 H -1.643 -0.363 0.368 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 17 . 3459 . 1 1 2 THR HG22 H -3.305 0.130 0.051 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 17 . 3460 . 1 1 2 THR HG23 H -2.156 1.288 0.721 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 17 . 3461 . 1 1 2 THR N N -0.443 2.798 -0.753 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 17 . 3462 . 1 1 2 THR O O -2.746 3.997 -0.001 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 17 . 3463 . 1 1 2 THR OG1 O -2.897 0.477 -2.286 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 17 . 3464 . 1 1 3 HIS C C -6.505 2.396 -1.124 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 17 . 3465 . 1 1 3 HIS CA C -5.310 3.275 -0.775 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 17 . 3466 . 1 1 3 HIS CB C -5.503 4.676 -1.359 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 17 . 3467 . 1 1 3 HIS CD2 C -4.301 4.576 -3.657 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3468 . 1 1 3 HIS CE1 C -6.039 4.933 -4.943 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3469 . 1 1 3 HIS CG C -5.381 4.723 -2.852 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 17 . 3470 . 1 1 3 HIS H H -4.113 1.969 -1.934 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 17 . 3471 . 1 1 3 HIS HA H -5.237 3.352 0.299 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 17 . 3472 . 1 1 3 HIS HB3 H -4.761 5.339 -0.942 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3473 . 1 1 3 HIS HD1 H -7.378 5.091 -3.406 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3474 . 1 1 3 HIS HD2 H -3.285 4.387 -3.338 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3475 . 1 1 3 HIS HE1 H -6.660 5.079 -5.815 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3476 . 1 1 3 HIS N N -4.069 2.688 -1.268 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 17 . 3477 . 1 1 3 HIS ND1 N -6.451 4.946 -3.688 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 17 . 3478 . 1 1 3 HIS NE2 N -4.737 4.711 -4.951 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3479 . 1 1 3 HIS O O -6.841 2.223 -2.296 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 17 . 3480 . 1 1 4 . C C -8.166 -0.312 0.507 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 17 . 3481 . 1 1 4 . CA C -8.303 0.977 -0.299 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 17 . 3482 . 1 1 4 . CB C -9.585 1.710 0.103 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 17 . 3483 . 1 1 4 . CD1 C -11.753 0.487 0.431 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3484 . 1 1 4 . CD2 C -11.089 1.043 -1.791 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3485 . 1 1 4 . CE1 C -12.903 -0.105 -0.057 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3486 . 1 1 4 . CE2 C -12.237 0.451 -2.286 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3487 . 1 1 4 . CG C -10.834 1.066 -0.430 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 17 . 3488 . 1 1 4 . CZ C -13.145 -0.122 -1.417 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 17 . 3489 . 1 1 4 . H H -6.829 2.015 0.812 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 17 . 3490 . 1 1 4 . HA H -8.354 0.728 -1.347 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 17 . 3491 . 1 1 4 . HB2 H -9.546 2.721 -0.272 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 17 . 3492 . 1 1 4 . HB3 H -9.657 1.732 1.179 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3493 . 1 1 4 . HD1 H -11.563 0.500 1.493 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3494 . 1 1 4 . HD2 H -10.381 1.490 -2.471 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3495 . 1 1 4 . HE1 H -13.611 -0.553 0.625 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3496 . 1 1 4 . HE2 H -12.424 0.438 -3.348 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3497 . 1 1 4 . HZ H -14.042 -0.585 -1.799 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 17 . 3498 . 1 1 4 . N N -7.144 1.839 -0.101 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 17 . 3499 . 1 1 4 . O O -8.815 -0.483 1.539 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 17 . 3500 . 1 1 5 MMO C C -5.645 -2.610 1.168 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 17 . 3501 . 1 1 5 MMO CA C -7.094 -2.487 0.703 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 17 . 3502 . 1 1 5 MMO CB C -7.442 -3.650 -0.229 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 17 . 3503 . 1 1 5 MMO CD C -6.617 -5.450 -1.776 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 17 . 3504 . 1 1 5 MMO CG C -6.225 -4.400 -0.748 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 17 . 3505 . 1 1 5 MMO CN C -6.585 -0.922 -1.212 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 17 . 3506 . 1 1 5 MMO CZ C -6.639 -4.131 -3.850 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 17 . 3507 . 1 1 5 MMO HA H -7.740 -2.521 1.567 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 17 . 3508 . 1 1 5 MMO HC1 H -5.979 -0.025 -1.076 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 17 . 3509 . 1 1 5 MMO HC2 H -7.295 -0.761 -2.024 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 17 . 3510 . 1 1 5 MMO HC3 H -5.936 -1.763 -1.459 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 17 . 3511 . 1 1 5 MMO HCB1 H -8.064 -4.350 0.308 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 17 . 3512 . 1 1 5 MMO HCB2 H -7.991 -3.267 -1.073 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 17 . 3513 . 1 1 5 MMO HCD1 H -5.725 -5.966 -2.101 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3514 . 1 1 5 MMO HCD2 H -7.289 -6.154 -1.310 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3515 . 1 1 5 MMO HCG1 H -5.550 -3.694 -1.211 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 17 . 3516 . 1 1 5 MMO HCG2 H -5.731 -4.883 0.081 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 17 . 3517 . 1 1 5 MMO HH11 H -8.288 -3.800 -4.973 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 17 . 3518 . 1 1 5 MMO HH12 H -6.830 -3.080 -5.566 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 17 . 3519 . 1 1 5 MMO HH21 H -4.834 -4.280 -2.957 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 17 . 3520 . 1 1 5 MMO HH22 H -4.864 -3.353 -4.420 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 17 . 3521 . 1 1 5 MMO N N -7.316 -1.215 0.028 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 17 . 3522 . 1 1 5 MMO NE N -7.274 -4.860 -2.938 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 17 . 3523 . 1 1 5 MMO NH1 N -7.307 -3.629 -4.880 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 17 . 3524 . 1 1 5 MMO NH2 N -5.341 -3.903 -3.731 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 17 . 3525 . 1 1 5 MMO O O -4.716 -2.305 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 17 . 3526 . 1 1 6 TRP C C -3.294 -1.956 2.767 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 17 . 3527 . 1 1 6 TRP CA C -4.125 -3.219 2.969 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 17 . 3528 . 1 1 6 TRP CB C -3.422 -4.417 2.330 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 17 . 3529 . 1 1 6 TRP CD1 C -2.632 -6.401 3.748 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3530 . 1 1 6 TRP CD2 C -4.826 -6.406 3.298 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3531 . 1 1 6 TRP CE2 C -4.526 -7.540 4.076 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3532 . 1 1 6 TRP CE3 C -6.149 -6.196 2.896 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 17 . 3533 . 1 1 6 TRP CG C -3.603 -5.690 3.098 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 17 . 3534 . 1 1 6 TRP CH2 C -6.784 -8.230 4.051 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 17 . 3535 . 1 1 6 TRP CZ2 C -5.498 -8.461 4.459 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 17 . 3536 . 1 1 6 TRP CZ3 C -7.113 -7.110 3.274 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 17 . 3537 . 1 1 6 TRP H H -6.243 -3.283 2.952 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 17 . 3538 . 1 1 6 TRP HA H -4.234 -3.399 4.027 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 17 . 3539 . 1 1 6 TRP HB3 H -2.363 -4.211 2.268 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3540 . 1 1 6 TRP HD1 H -1.593 -6.118 3.781 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3541 . 1 1 6 TRP HE1 H -2.688 -8.181 4.860 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3542 . 1 1 6 TRP HE3 H -6.422 -5.340 2.297 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 17 . 3543 . 1 1 6 TRP HH2 H -7.568 -8.919 4.323 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 17 . 3544 . 1 1 6 TRP HZ2 H -5.260 -9.328 5.056 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 17 . 3545 . 1 1 6 TRP HZ3 H -8.140 -6.967 2.972 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 17 . 3546 . 1 1 6 TRP N N -5.462 -3.056 2.406 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 17 . 3547 . 1 1 6 TRP NE1 N -3.182 -7.514 4.337 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3548 . 1 1 6 TRP O O -2.444 -1.881 1.880 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 17 . 3549 . 1 1 7 PRO C C -1.365 0.201 3.972 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 17 . 3550 . 1 1 7 PRO CA C -2.820 0.334 3.543 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 17 . 3551 . 1 1 7 PRO CB C -3.590 1.225 4.522 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 17 . 3552 . 1 1 7 PRO CD C -4.539 -0.963 4.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 17 . 3553 . 1 1 7 PRO CG C -4.221 0.276 5.483 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 17 . 3554 . 1 1 7 PRO HA H -2.865 0.763 2.552 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 17 . 3555 . 1 1 7 PRO HB3 H -4.332 1.798 3.988 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3556 . 1 1 7 PRO HD3 H -5.539 -0.910 4.291 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 17 . 3557 . 1 1 7 PRO HG3 H -5.127 0.708 5.883 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 17 . 3558 . 1 1 7 PRO N N -3.539 -0.942 3.610 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 17 . 3559 . 1 1 7 PRO O O -1.054 0.236 5.163 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 17 . 3560 . 1 1 8 ILE C C 1.743 1.056 2.642 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 17 . 3561 . 1 1 8 ILE CA C 0.949 -0.082 3.275 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 17 . 3562 . 1 1 8 ILE CB C 1.499 -1.424 2.756 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 17 . 3563 . 1 1 8 ILE CD1 C 0.046 -2.540 4.523 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3564 . 1 1 8 ILE CG1 C 0.529 -2.561 3.089 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 17 . 3565 . 1 1 8 ILE CG2 C 2.871 -1.700 3.353 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 17 . 3566 . 1 1 8 ILE H H -0.786 0.033 2.066 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 17 . 3567 . 1 1 8 ILE HA H 1.082 -0.051 4.347 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 17 . 3568 . 1 1 8 ILE HB H 1.606 -1.355 1.686 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 17 . 3569 . 1 1 8 ILE HD11 H 0.086 -3.540 4.931 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 17 . 3570 . 1 1 8 ILE HD12 H 0.672 -1.885 5.106 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 17 . 3571 . 1 1 8 ILE HD13 H -0.975 -2.184 4.555 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 17 . 3572 . 1 1 8 ILE HG13 H 1.022 -3.507 2.918 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 17 . 3573 . 1 1 8 ILE HG21 H 3.119 -2.743 3.218 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 17 . 3574 . 1 1 8 ILE HG22 H 3.608 -1.088 2.856 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 17 . 3575 . 1 1 8 ILE HG23 H 2.860 -1.467 4.407 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 17 . 3576 . 1 1 8 ILE N N -0.476 0.052 2.996 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 17 . 3577 . 1 1 8 ILE O O 1.497 1.438 1.498 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 17 . 3578 . 1 1 9 CYS C C 5.004 2.317 2.973 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 17 . 3579 . 1 1 9 CYS CA C 3.526 2.691 2.913 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 17 . 3580 . 1 1 9 CYS CB C 3.275 3.954 3.737 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 17 . 3581 . 1 1 9 CYS H H 2.842 1.248 4.303 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 17 . 3582 . 1 1 9 CYS HA H 3.258 2.882 1.885 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 17 . 3583 . 1 1 9 CYS HB3 H 3.892 3.925 4.623 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3584 . 1 1 9 CYS N N 2.694 1.594 3.397 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 17 . 3585 . 1 1 9 CYS O O 5.501 1.863 4.004 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 17 . 3586 . 1 1 9 CYS SG S 3.639 5.505 2.855 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 17 . 3587 . 1 1 10 PHE C C 7.943 3.443 1.470 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 17 . 3588 . 1 1 10 PHE CA C 7.124 2.195 1.784 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 17 . 3589 . 1 1 10 PHE CB C 7.376 1.127 0.717 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 17 . 3590 . 1 1 10 PHE CD1 C 7.948 -0.703 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3591 . 1 1 10 PHE CD2 C 6.375 -1.172 0.606 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3592 . 1 1 10 PHE CE1 C 7.816 -1.994 2.810 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3593 . 1 1 10 PHE CE2 C 6.240 -2.465 1.076 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3594 . 1 1 10 PHE CG C 7.230 -0.278 1.228 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 17 . 3595 . 1 1 10 PHE CZ C 6.959 -2.878 2.179 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 17 . 3596 . 1 1 10 PHE H H 5.252 2.876 1.068 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 17 . 3597 . 1 1 10 PHE HA H 7.430 1.811 2.744 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 17 . 3598 . 1 1 10 PHE HB3 H 8.378 1.241 0.334 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3599 . 1 1 10 PHE HD1 H 8.615 -0.014 2.832 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3600 . 1 1 10 PHE HD2 H 5.811 -0.852 -0.259 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3601 . 1 1 10 PHE HE1 H 8.380 -2.314 3.673 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 17 . 3602 . 1 1 10 PHE HE2 H 5.570 -3.151 0.577 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 17 . 3603 . 1 1 10 PHE HZ H 6.857 -3.886 2.545 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 17 . 3604 . 1 1 10 PHE N N 5.703 2.511 1.859 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 17 . 3605 . 1 1 10 PHE O O 7.430 4.445 0.969 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 17 . 3606 . 1 1 11 PRO C C 10.421 4.734 0.046 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 17 . 3607 . 1 1 11 PRO CA C 10.168 4.502 1.530 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 17 . 3608 . 1 1 11 PRO CB C 11.457 4.059 2.230 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 17 . 3609 . 1 1 11 PRO CD C 9.929 2.223 2.368 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 17 . 3610 . 1 1 11 PRO CG C 11.388 2.570 2.241 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 17 . 3611 . 1 1 11 PRO HA H 9.809 5.415 1.982 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 17 . 3612 . 1 1 11 PRO HB3 H 11.483 4.460 3.230 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3613 . 1 1 11 PRO HD3 H 9.658 2.112 3.409 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 17 . 3614 . 1 1 11 PRO HG3 H 11.940 2.184 3.086 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 17 . 3615 . 1 1 11 PRO N N 9.250 3.386 1.772 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 17 . 3616 . 1 1 11 PRO O O 10.771 5.841 -0.368 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 17 . 3617 . 1 1 12 ASP C C 9.385 4.659 -2.841 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 17 . 3618 . 1 1 12 ASP CA C 10.450 3.780 -2.192 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 17 . 3619 . 1 1 12 ASP CB C 10.430 2.386 -2.821 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 17 . 3620 . 1 1 12 ASP CG C 11.745 1.652 -2.649 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 17 . 3621 . 1 1 12 ASP H H 9.963 2.833 -0.362 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 17 . 3622 . 1 1 12 ASP HA H 11.418 4.226 -2.361 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 17 . 3623 . 1 1 12 ASP HB3 H 10.225 2.478 -3.878 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3624 . 1 1 12 ASP N N 10.243 3.688 -0.751 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 17 . 3625 . 1 1 12 ASP O O 9.629 5.294 -3.864 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 17 . 3626 . 1 1 12 ASP OD1 O 12.540 1.624 -3.610 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 17 . 3627 . 1 1 12 ASP OD2 O 11.982 1.109 -1.549 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 17 . 3628 . 1 1 13 GLY C C 5.868 4.677 -3.034 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 17 . 3629 . 1 1 13 GLY CA C 7.118 5.494 -2.766 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 17 . 3630 . 1 1 13 GLY H H 8.065 4.164 -1.419 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 17 . 3631 . 1 1 13 GLY HA2 H 6.881 6.275 -2.059 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 17 . 3632 . 1 1 13 GLY HA3 H 7.440 5.949 -3.692 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 17 . 3633 . 1 1 13 GLY N N 8.201 4.691 -2.234 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 17 . 3634 . 1 1 13 GLY O O 5.115 4.969 -3.964 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 17 . 3635 . 1 1 14 ARG C C 3.526 2.952 -1.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 17 . 3636 . 1 1 14 ARG CA C 4.483 2.789 -2.373 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 17 . 3637 . 1 1 14 ARG CB C 4.915 1.327 -2.494 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 17 . 3638 . 1 1 14 ARG CD C 7.142 0.300 -3.043 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 17 . 3639 . 1 1 14 ARG CG C 5.957 1.090 -3.576 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 17 . 3640 . 1 1 14 ARG CZ C 7.883 -2.039 -2.892 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 17 . 3641 . 1 1 14 ARG H H 6.284 3.471 -1.494 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 17 . 3642 . 1 1 14 ARG HA H 3.971 3.081 -3.278 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 17 . 3643 . 1 1 14 ARG HB3 H 4.049 0.726 -2.721 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 17 . 3644 . 1 1 14 ARG HD3 H 7.204 0.444 -1.975 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 17 . 3645 . 1 1 14 ARG HE H 6.251 -1.422 -3.857 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 17 . 3646 . 1 1 14 ARG HG3 H 6.306 2.042 -3.942 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 17 . 3647 . 1 1 14 ARG HH11 H 9.069 -0.710 -1.940 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 17 . 3648 . 1 1 14 ARG HH12 H 9.578 -2.363 -1.839 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 17 . 3649 . 1 1 14 ARG HH21 H 6.913 -3.601 -3.732 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 17 . 3650 . 1 1 14 ARG HH22 H 8.353 -4.006 -2.861 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 17 . 3651 . 1 1 14 ARG N N 5.647 3.653 -2.219 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 17 . 3652 . 1 1 14 ARG NE N 7.018 -1.129 -3.323 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 17 . 3653 . 1 1 14 ARG NH1 N 8.929 -1.673 -2.165 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 17 . 3654 . 1 1 14 ARG NH2 N 7.701 -3.321 -3.185 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 17 . 3655 . 1 1 14 ARG O O 3.520 2.137 -0.271 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 18 . 3656 . 1 1 1 CYS C C 0.135 3.854 -1.196 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 18 . 3657 . 1 1 1 CYS CA C 1.062 4.356 -0.091 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 18 . 3658 . 1 1 1 CYS CB C 0.304 5.317 0.827 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 18 . 3659 . 1 1 1 CYS H1 H 2.286 5.992 -0.645 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 18 . 3660 . 1 1 1 CYS HA H 1.400 3.509 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 18 . 3661 . 1 1 1 CYS HB3 H -0.598 4.837 1.173 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3662 . 1 1 1 CYS N N 2.235 5.013 -0.654 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 18 . 3663 . 1 1 1 CYS O O -0.118 4.557 -2.175 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 18 . 3664 . 1 1 1 CYS SG S 1.249 5.845 2.292 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 18 . 3665 . 1 1 2 THR C C -2.722 2.287 -1.649 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 18 . 3666 . 1 1 2 THR CA C -1.263 2.039 -2.015 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 18 . 3667 . 1 1 2 THR CB C -1.029 0.522 -2.143 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 18 . 3668 . 1 1 2 THR CG2 C -1.552 -0.211 -0.918 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 18 . 3669 . 1 1 2 THR H H -0.127 2.124 -0.231 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 18 . 3670 . 1 1 2 THR HA H -1.059 2.496 -2.972 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 18 . 3671 . 1 1 2 THR HB H 0.034 0.343 -2.225 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 18 . 3672 . 1 1 2 THR HG1 H -1.321 0.464 -4.092 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 18 . 3673 . 1 1 2 THR HG21 H -1.054 -1.166 -0.827 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 18 . 3674 . 1 1 2 THR HG22 H -2.616 -0.369 -1.019 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 18 . 3675 . 1 1 2 THR HG23 H -1.359 0.379 -0.034 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 18 . 3676 . 1 1 2 THR N N -0.367 2.633 -1.031 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 18 . 3677 . 1 1 2 THR O O -3.021 3.045 -0.726 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 18 . 3678 . 1 1 2 THR OG1 O -1.677 0.023 -3.316 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 18 . 3679 . 1 1 3 HIS C C -5.662 0.485 -1.630 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 18 . 3680 . 1 1 3 HIS CA C -5.057 1.793 -2.130 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 18 . 3681 . 1 1 3 HIS CB C -5.773 2.245 -3.402 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 18 . 3682 . 1 1 3 HIS CD2 C -4.967 0.943 -5.495 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3683 . 1 1 3 HIS CE1 C -6.591 -0.527 -5.603 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3684 . 1 1 3 HIS CG C -5.815 1.197 -4.472 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 18 . 3685 . 1 1 3 HIS H H -3.327 1.052 -3.100 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 18 . 3686 . 1 1 3 HIS HA H -5.182 2.548 -1.368 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 18 . 3687 . 1 1 3 HIS HB3 H -5.265 3.111 -3.805 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3688 . 1 1 3 HIS HD1 H -7.591 0.182 -3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3689 . 1 1 3 HIS HD2 H -4.060 1.484 -5.729 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3690 . 1 1 3 HIS HE1 H -7.210 -1.352 -5.921 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3691 . 1 1 3 HIS N N -3.627 1.642 -2.380 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 18 . 3692 . 1 1 3 HIS ND1 N -6.822 0.260 -4.569 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 18 . 3693 . 1 1 3 HIS NE2 N -5.472 -0.134 -6.184 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3694 . 1 1 3 HIS O O -4.942 -0.454 -1.291 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 18 . 3695 . 1 1 4 . C C -7.911 -0.718 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 18 . 3696 . 1 1 4 . CA C -7.690 -0.762 -1.129 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 18 . 3697 . 1 1 4 . CB C -9.034 -0.898 -1.848 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 18 . 3698 . 1 1 4 . CD1 C -9.906 1.254 -2.803 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3699 . 1 1 4 . CD2 C -10.666 0.580 -0.646 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3700 . 1 1 4 . CE1 C -10.689 2.388 -2.727 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3701 . 1 1 4 . CE2 C -11.452 1.714 -0.564 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3702 . 1 1 4 . CG C -9.886 0.336 -1.763 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 18 . 3703 . 1 1 4 . CZ C -11.462 2.619 -1.606 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 18 . 3704 . 1 1 4 . H H -7.509 1.210 -1.872 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 18 . 3705 . 1 1 4 . HA H -7.077 -1.619 -1.366 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 18 . 3706 . 1 1 4 . HB2 H -9.588 -1.714 -1.409 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 18 . 3707 . 1 1 4 . HB3 H -8.856 -1.109 -2.892 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3708 . 1 1 4 . HD1 H -9.300 1.075 -3.677 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3709 . 1 1 4 . HD2 H -10.660 -0.130 0.169 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3710 . 1 1 4 . HE1 H -10.694 3.097 -3.543 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3711 . 1 1 4 . HE2 H -12.057 1.891 0.314 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3712 . 1 1 4 . HZ H -12.075 3.507 -1.545 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 18 . 3713 . 1 1 4 . N N -6.988 0.430 -1.587 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 18 . 3714 . 1 1 4 . O O -8.046 0.355 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 18 . 3715 . 1 1 5 MMO C C -6.855 -2.381 3.149 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 18 . 3716 . 1 1 5 MMO CA C -8.150 -1.990 2.443 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 18 . 3717 . 1 1 5 MMO CB C -9.246 -3.011 2.756 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 18 . 3718 . 1 1 5 MMO CD C -11.266 -1.573 2.353 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 18 . 3719 . 1 1 5 MMO CG C -10.509 -2.822 1.933 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 18 . 3720 . 1 1 5 MMO CN C -7.779 -3.125 0.218 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 18 . 3721 . 1 1 5 MMO CZ C -13.564 -0.723 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 18 . 3722 . 1 1 5 MMO HA H -8.462 -1.019 2.800 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 18 . 3723 . 1 1 5 MMO HC1 H -6.780 -3.146 -0.219 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 18 . 3724 . 1 1 5 MMO HC2 H -8.522 -3.152 -0.579 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 18 . 3725 . 1 1 5 MMO HC3 H -7.910 -3.990 0.867 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 18 . 3726 . 1 1 5 MMO HCB1 H -8.863 -4.003 2.568 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 18 . 3727 . 1 1 5 MMO HCB2 H -9.507 -2.928 3.801 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 18 . 3728 . 1 1 5 MMO HCD1 H -11.408 -1.597 3.422 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3729 . 1 1 5 MMO HCD2 H -10.681 -0.706 2.086 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3730 . 1 1 5 MMO HCG1 H -10.237 -2.732 0.891 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 18 . 3731 . 1 1 5 MMO HCG2 H -11.147 -3.683 2.068 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 18 . 3732 . 1 1 5 MMO HH11 H -14.850 -1.240 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 18 . 3733 . 1 1 5 MMO HH12 H -15.470 -0.122 1.849 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 18 . 3734 . 1 1 5 MMO HH21 H -12.529 -0.014 3.738 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 18 . 3735 . 1 1 5 MMO HH22 H -14.150 0.579 3.586 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 18 . 3736 . 1 1 5 MMO N N -7.947 -1.894 1.002 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 18 . 3737 . 1 1 5 MMO NE N -12.573 -1.482 1.704 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 18 . 3738 . 1 1 5 MMO NH1 N -14.723 -0.692 1.509 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 18 . 3739 . 1 1 5 MMO NH2 N -13.402 0.007 3.250 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 18 . 3740 . 1 1 5 MMO O O -6.879 -3.065 4.173 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 18 . 3741 . 1 1 6 TRP C C -3.509 -1.033 3.120 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 18 . 3742 . 1 1 6 TRP CA C -4.427 -2.250 3.173 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 18 . 3743 . 1 1 6 TRP CB C -3.780 -3.424 2.434 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 18 . 3744 . 1 1 6 TRP CD1 C -1.493 -4.439 2.982 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3745 . 1 1 6 TRP CD2 C -3.060 -4.806 4.539 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3746 . 1 1 6 TRP CE2 C -1.860 -5.412 4.959 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3747 . 1 1 6 TRP CE3 C -4.188 -4.906 5.360 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 18 . 3748 . 1 1 6 TRP CG C -2.804 -4.189 3.273 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 18 . 3749 . 1 1 6 TRP CH2 C -2.877 -6.187 6.945 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 18 . 3750 . 1 1 6 TRP CZ2 C -1.758 -6.106 6.162 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 18 . 3751 . 1 1 6 TRP CZ3 C -4.085 -5.596 6.552 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 18 . 3752 . 1 1 6 TRP H H -5.776 -1.403 1.781 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 18 . 3753 . 1 1 6 TRP HA H -4.579 -2.528 4.206 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 18 . 3754 . 1 1 6 TRP HB3 H -3.255 -3.048 1.568 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3755 . 1 1 6 TRP HD1 H -0.993 -4.104 2.087 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3756 . 1 1 6 TRP HE1 H 0.012 -5.477 4.016 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3757 . 1 1 6 TRP HE3 H -5.128 -4.456 5.075 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 18 . 3758 . 1 1 6 TRP HH2 H -2.841 -6.717 7.884 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 18 . 3759 . 1 1 6 TRP HZ2 H -0.834 -6.568 6.477 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 18 . 3760 . 1 1 6 TRP HZ3 H -4.945 -5.682 7.198 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 18 . 3761 . 1 1 6 TRP N N -5.731 -1.944 2.596 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 18 . 3762 . 1 1 6 TRP NE1 N -0.920 -5.174 3.991 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3763 . 1 1 6 TRP O O -2.711 -0.867 2.198 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 18 . 3764 . 1 1 7 PRO C C -1.344 0.753 4.520 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 18 . 3765 . 1 1 7 PRO CA C -2.809 1.055 4.226 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 18 . 3766 . 1 1 7 PRO CB C -3.442 1.818 5.390 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 18 . 3767 . 1 1 7 PRO CD C -4.552 -0.296 5.266 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 18 . 3768 . 1 1 7 PRO CG C -4.089 0.766 6.226 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 18 . 3769 . 1 1 7 PRO HA H -2.879 1.647 3.324 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 18 . 3770 . 1 1 7 PRO HB3 H -4.169 2.521 5.014 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3771 . 1 1 7 PRO HD3 H -5.569 -0.107 4.956 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 18 . 3772 . 1 1 7 PRO HG3 H -4.931 1.185 6.756 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 18 . 3773 . 1 1 7 PRO N N -3.623 -0.160 4.133 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 18 . 3774 . 1 1 7 PRO O O -0.966 0.533 5.672 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 18 . 3775 . 1 1 8 ILE C C 1.723 1.297 2.640 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 18 . 3776 . 1 1 8 ILE CA C 0.899 0.471 3.622 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 18 . 3777 . 1 1 8 ILE CB C 1.211 -1.023 3.408 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 18 . 3778 . 1 1 8 ILE CD1 C 1.481 -2.484 1.341 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3779 . 1 1 8 ILE CG1 C 0.601 -1.509 2.092 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 18 . 3780 . 1 1 8 ILE CG2 C 0.690 -1.846 4.577 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 18 . 3781 . 1 1 8 ILE H H -0.885 0.928 2.581 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 18 . 3782 . 1 1 8 ILE HA H 1.186 0.736 4.629 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 18 . 3783 . 1 1 8 ILE HB H 2.282 -1.141 3.367 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 18 . 3784 . 1 1 8 ILE HD11 H 1.237 -2.456 0.291 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 18 . 3785 . 1 1 8 ILE HD12 H 2.519 -2.212 1.478 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 18 . 3786 . 1 1 8 ILE HD13 H 1.317 -3.483 1.721 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 18 . 3787 . 1 1 8 ILE HG13 H 0.424 -0.658 1.450 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 18 . 3788 . 1 1 8 ILE HG21 H -0.266 -2.277 4.312 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 18 . 3789 . 1 1 8 ILE HG22 H 1.389 -2.634 4.802 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 18 . 3790 . 1 1 8 ILE HG23 H 0.570 -1.210 5.440 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 18 . 3791 . 1 1 8 ILE N N -0.524 0.745 3.474 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 18 . 3792 . 1 1 8 ILE O O 1.357 1.440 1.473 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 18 . 3793 . 1 1 9 CYS C C 4.978 1.871 1.909 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 18 . 3794 . 1 1 9 CYS CA C 3.719 2.645 2.285 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 18 . 3795 . 1 1 9 CYS CB C 4.097 3.938 3.011 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 18 . 3796 . 1 1 9 CYS H H 3.080 1.683 4.059 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 18 . 3797 . 1 1 9 CYS HA H 3.180 2.894 1.382 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 18 . 3798 . 1 1 9 CYS HB3 H 4.789 4.495 2.399 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3799 . 1 1 9 CYS N N 2.839 1.835 3.120 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 18 . 3800 . 1 1 9 CYS O O 5.448 1.020 2.666 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 18 . 3801 . 1 1 9 CYS SG S 2.683 5.024 3.382 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 18 . 3802 . 1 1 10 PHE C C 7.979 2.254 0.708 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 18 . 3803 . 1 1 10 PHE CA C 6.728 1.504 0.256 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 18 . 3804 . 1 1 10 PHE CB C 6.706 1.397 -1.267 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 18 . 3805 . 1 1 10 PHE CD1 C 6.371 -1.090 -1.326 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3806 . 1 1 10 PHE CD2 C 4.972 0.273 -2.693 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3807 . 1 1 10 PHE CE1 C 5.725 -2.221 -1.788 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3808 . 1 1 10 PHE CE2 C 4.323 -0.856 -3.159 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3809 . 1 1 10 PHE CG C 6.002 0.168 -1.772 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 18 . 3810 . 1 1 10 PHE CZ C 4.700 -2.103 -2.705 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 18 . 3811 . 1 1 10 PHE H H 5.102 2.858 0.175 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 18 . 3812 . 1 1 10 PHE HA H 6.746 0.512 0.681 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 18 . 3813 . 1 1 10 PHE HB3 H 7.722 1.372 -1.635 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3814 . 1 1 10 PHE HD1 H 7.173 -1.185 -0.607 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3815 . 1 1 10 PHE HD2 H 4.676 1.251 -3.048 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3816 . 1 1 10 PHE HE1 H 6.022 -3.197 -1.431 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 18 . 3817 . 1 1 10 PHE HE2 H 3.521 -0.759 -3.875 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 18 . 3818 . 1 1 10 PHE HZ H 4.194 -2.986 -3.068 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 18 . 3819 . 1 1 10 PHE N N 5.522 2.173 0.734 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 18 . 3820 . 1 1 10 PHE O O 7.933 3.431 1.066 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 18 . 3821 . 1 1 11 PRO C C 10.914 3.175 0.099 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 18 . 3822 . 1 1 11 PRO CA C 10.409 2.134 1.093 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 18 . 3823 . 1 1 11 PRO CB C 11.348 0.925 1.124 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 18 . 3824 . 1 1 11 PRO CD C 9.252 0.149 0.274 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 18 . 3825 . 1 1 11 PRO CG C 10.740 -0.050 0.178 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 18 . 3826 . 1 1 11 PRO HA H 10.355 2.575 2.078 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 18 . 3827 . 1 1 11 PRO HB3 H 11.394 0.525 2.126 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3828 . 1 1 11 PRO HD3 H 8.831 -0.512 1.018 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 18 . 3829 . 1 1 11 PRO HG3 H 11.003 -1.056 0.469 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 18 . 3830 . 1 1 11 PRO N N 9.124 1.556 0.691 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 18 . 3831 . 1 1 11 PRO O O 11.899 3.869 0.359 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 18 . 3832 . 1 1 12 ASP C C 9.765 5.501 -1.977 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 18 . 3833 . 1 1 12 ASP CA C 10.614 4.236 -2.071 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 18 . 3834 . 1 1 12 ASP CB C 10.464 3.609 -3.457 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 18 . 3835 . 1 1 12 ASP CG C 9.024 3.583 -3.928 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 18 . 3836 . 1 1 12 ASP H H 9.460 2.698 -1.186 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 18 . 3837 . 1 1 12 ASP HA H 11.650 4.500 -1.914 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 18 . 3838 . 1 1 12 ASP HB3 H 10.834 2.596 -3.429 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3839 . 1 1 12 ASP N N 10.234 3.279 -1.038 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 18 . 3840 . 1 1 12 ASP O O 10.185 6.575 -2.402 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 18 . 3841 . 1 1 12 ASP OD1 O 8.194 2.934 -3.262 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 18 . 3842 . 1 1 12 ASP OD2 O 8.729 4.214 -4.966 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 18 . 3843 . 1 1 13 GLY C C 6.365 6.305 -2.006 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 18 . 3844 . 1 1 13 GLY CA C 7.679 6.502 -1.276 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 18 . 3845 . 1 1 13 GLY H H 8.285 4.480 -1.093 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 18 . 3846 . 1 1 13 GLY HA2 H 7.476 6.661 -0.227 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 18 . 3847 . 1 1 13 GLY HA3 H 8.169 7.378 -1.675 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 18 . 3848 . 1 1 13 GLY N N 8.568 5.363 -1.416 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 18 . 3849 . 1 1 13 GLY O O 6.117 6.930 -3.035 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 18 . 3850 . 1 1 14 ARG C C 3.322 4.388 -1.111 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 18 . 3851 . 1 1 14 ARG CA C 4.225 5.146 -2.080 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 18 . 3852 . 1 1 14 ARG CB C 4.406 4.337 -3.366 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 18 . 3853 . 1 1 14 ARG CD C 4.040 4.379 -5.850 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 18 . 3854 . 1 1 14 ARG CG C 4.429 5.188 -4.624 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 18 . 3855 . 1 1 14 ARG CZ C 5.195 2.984 -7.514 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 18 . 3856 . 1 1 14 ARG H H 5.774 4.959 -0.649 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 18 . 3857 . 1 1 14 ARG HA H 3.760 6.090 -2.323 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 18 . 3858 . 1 1 14 ARG HB3 H 3.595 3.630 -3.448 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 18 . 3859 . 1 1 14 ARG HD3 H 3.791 5.059 -6.652 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 18 . 3860 . 1 1 14 ARG HE H 5.827 3.291 -5.648 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 18 . 3861 . 1 1 14 ARG HG3 H 5.425 5.581 -4.763 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 18 . 3862 . 1 1 14 ARG HH11 H 3.487 3.846 -8.165 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 18 . 3863 . 1 1 14 ARG HH12 H 4.311 2.860 -9.327 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 18 . 3864 . 1 1 14 ARG HH21 H 6.921 1.991 -7.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 18 . 3865 . 1 1 14 ARG HH22 H 6.263 1.804 -8.761 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 18 . 3866 . 1 1 14 ARG N N 5.520 5.428 -1.472 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 18 . 3867 . 1 1 14 ARG NE N 5.122 3.501 -6.294 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 18 . 3868 . 1 1 14 ARG NH1 N 4.253 3.251 -8.410 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 18 . 3869 . 1 1 14 ARG NH2 N 6.209 2.194 -7.843 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 18 . 3870 . 1 1 14 ARG O O 3.516 3.196 -0.871 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 19 . 3871 . 1 1 1 CYS C C 0.050 3.415 -1.323 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 19 . 3872 . 1 1 1 CYS CA C 1.479 3.697 -0.863 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 19 . 3873 . 1 1 1 CYS CB C 1.582 5.127 -0.328 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 19 . 3874 . 1 1 1 CYS H1 H 2.181 3.789 -2.857 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 19 . 3875 . 1 1 1 CYS HA H 1.732 3.006 -0.072 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 19 . 3876 . 1 1 1 CYS HB3 H 0.838 5.740 -0.816 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 3877 . 1 1 1 CYS N N 2.423 3.495 -1.954 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 19 . 3878 . 1 1 1 CYS O O -0.441 4.029 -2.270 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 19 . 3879 . 1 1 1 CYS SG S 1.326 5.270 1.471 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 19 . 3880 . 1 1 2 THR C C -2.973 2.778 -0.030 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 19 . 3881 . 1 1 2 THR CA C -1.981 2.119 -0.980 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 19 . 3882 . 1 1 2 THR CB C -2.182 0.594 -0.940 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 19 . 3883 . 1 1 2 THR CG2 C -2.952 0.117 -2.161 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 19 . 3884 . 1 1 2 THR H H -0.164 2.030 0.103 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 19 . 3885 . 1 1 2 THR HA H -2.179 2.462 -1.986 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 19 . 3886 . 1 1 2 THR HB H -2.750 0.344 -0.056 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 19 . 3887 . 1 1 2 THR HG1 H -1.040 -1.014 -0.980 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 19 . 3888 . 1 1 2 THR HG21 H -3.997 0.013 -1.912 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 19 . 3889 . 1 1 2 THR HG22 H -2.563 -0.837 -2.482 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 19 . 3890 . 1 1 2 THR HG23 H -2.845 0.836 -2.959 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 19 . 3891 . 1 1 2 THR N N -0.610 2.483 -0.643 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 19 . 3892 . 1 1 2 THR O O -2.583 3.452 0.924 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 19 . 3893 . 1 1 2 THR OG1 O -0.914 -0.067 -0.882 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 19 . 3894 . 1 1 3 HIS C C -6.525 2.225 0.599 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 19 . 3895 . 1 1 3 HIS CA C -5.311 3.150 0.539 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 19 . 3896 . 1 1 3 HIS CB C -5.728 4.520 0.004 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 19 . 3897 . 1 1 3 HIS CD2 C -5.779 5.768 2.276 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3898 . 1 1 3 HIS CE1 C -7.658 6.862 2.000 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3899 . 1 1 3 HIS CG C -6.264 5.438 1.057 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 19 . 3900 . 1 1 3 HIS H H -4.510 2.030 -1.068 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 19 . 3901 . 1 1 3 HIS HA H -4.916 3.270 1.537 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 19 . 3902 . 1 1 3 HIS HB3 H -6.494 4.389 -0.747 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 3903 . 1 1 3 HIS HD1 H -8.035 6.114 0.133 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3904 . 1 1 3 HIS HD2 H -4.863 5.402 2.722 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3905 . 1 1 3 HIS HE1 H -8.504 7.510 2.171 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3906 . 1 1 3 HIS N N -4.261 2.575 -0.295 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 19 . 3907 . 1 1 3 HIS ND1 N -7.444 6.139 0.913 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 19 . 3908 . 1 1 3 HIS NE2 N -6.663 6.654 2.842 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 19 . 3909 . 1 1 3 HIS O O -6.956 1.819 1.678 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 19 . 3910 . 1 1 4 . C C -8.010 -0.251 0.166 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 19 . 3911 . 1 1 4 . CA C -8.230 1.020 -0.648 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 19 . 3912 . 1 1 4 . CB C -9.480 1.748 -0.149 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 19 . 3913 . 1 1 4 . CD1 C -11.093 1.627 -2.068 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3914 . 1 1 4 . CD2 C -10.210 3.759 -1.461 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3915 . 1 1 4 . CE1 C -11.828 2.217 -3.080 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3916 . 1 1 4 . CE2 C -10.944 4.352 -2.470 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 19 . 3917 . 1 1 4 . CG C -10.278 2.390 -1.248 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 19 . 3918 . 1 1 4 . CZ C -11.753 3.582 -3.282 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 19 . 3919 . 1 1 4 . H H -6.679 2.252 -1.395 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 19 . 3920 . 1 1 4 . HA H -8.371 0.750 -1.682 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 19 . 3921 . 1 1 4 . HB2 H -9.187 2.521 0.543 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 19 . 3922 . 1 1 4 . HB3 H -10.121 1.041 0.357 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 3923 . 1 1 4 . HD1 H -11.154 0.561 -1.914 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3924 . 1 1 4 . HD2 H -9.578 4.362 -0.828 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3925 . 1 1 4 . HE1 H -12.460 1.612 -3.713 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3926 . 1 1 4 . HE2 H -10.881 5.420 -2.626 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 19 . 3927 . 1 1 4 . HZ H -12.326 4.044 -4.072 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 19 . 3928 . 1 1 4 . N N -7.069 1.896 -0.566 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 19 . 3929 . 1 1 4 . O O -8.580 -0.418 1.246 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 19 . 3930 . 1 1 5 MMO C C -5.442 -2.422 0.822 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 19 . 3931 . 1 1 5 MMO CA C -6.884 -2.403 0.319 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 19 . 3932 . 1 1 5 MMO CB C -7.121 -3.584 -0.623 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 19 . 3933 . 1 1 5 MMO CD C -9.223 -4.746 -1.369 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 19 . 3934 . 1 1 5 MMO CG C -8.400 -3.467 -1.436 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 19 . 3935 . 1 1 5 MMO CN C -6.547 -0.863 -1.653 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 19 . 3936 . 1 1 5 MMO CZ C -9.800 -6.577 -2.901 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 19 . 3937 . 1 1 5 MMO HA H -7.549 -2.490 1.165 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 19 . 3938 . 1 1 5 MMO HC1 H -7.313 -0.733 -2.415 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 19 . 3939 . 1 1 5 MMO HC2 H -5.898 -1.696 -1.930 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 19 . 3940 . 1 1 5 MMO HC3 H -5.951 0.047 -1.576 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 19 . 3941 . 1 1 5 MMO HCB1 H -6.290 -3.655 -1.310 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 19 . 3942 . 1 1 5 MMO HCB2 H -7.174 -4.492 -0.037 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 19 . 3943 . 1 1 5 MMO HCD1 H -8.972 -5.271 -0.459 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3944 . 1 1 5 MMO HCD2 H -10.269 -4.483 -1.355 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3945 . 1 1 5 MMO HCG1 H -8.990 -2.652 -1.045 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 19 . 3946 . 1 1 5 MMO HCG2 H -8.143 -3.269 -2.465 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 19 . 3947 . 1 1 5 MMO HH11 H -8.642 -7.184 -4.442 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 19 . 3948 . 1 1 5 MMO HH12 H -10.125 -8.055 -4.242 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 19 . 3949 . 1 1 5 MMO HH21 H -11.167 -6.212 -1.459 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 19 . 3950 . 1 1 5 MMO HH22 H -11.561 -7.502 -2.547 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 19 . 3951 . 1 1 5 MMO N N -7.181 -1.148 -0.357 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 19 . 3952 . 1 1 5 MMO NE N -8.966 -5.621 -2.508 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 19 . 3953 . 1 1 5 MMO NH1 N -9.498 -7.335 -3.948 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 19 . 3954 . 1 1 5 MMO NH2 N -10.937 -6.781 -2.248 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 19 . 3955 . 1 1 5 MMO O O -4.569 -1.759 0.261 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 19 . 3956 . 1 1 6 TRP C C -3.139 -1.951 2.397 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 19 . 3957 . 1 1 6 TRP CA C -3.866 -3.290 2.461 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 19 . 3958 . 1 1 6 TRP CB C -3.055 -4.361 1.732 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 19 . 3959 . 1 1 6 TRP CD1 C -2.435 -3.491 -0.598 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3960 . 1 1 6 TRP CD2 C -4.076 -5.015 -0.591 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 19 . 3961 . 1 1 6 TRP CE2 C -3.834 -4.621 -1.922 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 19 . 3962 . 1 1 6 TRP CE3 C -5.066 -5.970 -0.342 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 19 . 3963 . 1 1 6 TRP CG C -3.168 -4.281 0.240 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 19 . 3964 . 1 1 6 TRP CH2 C -5.510 -6.079 -2.722 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 19 . 3965 . 1 1 6 TRP CZ2 C -4.547 -5.148 -2.996 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 19 . 3966 . 1 1 6 TRP CZ3 C -5.774 -6.490 -1.408 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 19 . 3967 . 1 1 6 TRP H H -5.939 -3.690 2.286 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 19 . 3968 . 1 1 6 TRP HA H -3.978 -3.577 3.497 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 19 . 3969 . 1 1 6 TRP HB3 H -3.401 -5.337 2.041 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 3970 . 1 1 6 TRP HD1 H -1.660 -2.813 -0.271 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3971 . 1 1 6 TRP HE1 H -2.450 -3.242 -2.683 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3972 . 1 1 6 TRP HE3 H -5.283 -6.297 0.665 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 19 . 3973 . 1 1 6 TRP HH2 H -6.086 -6.513 -3.523 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 19 . 3974 . 1 1 6 TRP HZ2 H -4.355 -4.842 -4.014 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 19 . 3975 . 1 1 6 TRP HZ3 H -6.544 -7.229 -1.233 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 19 . 3976 . 1 1 6 TRP N N -5.201 -3.185 1.883 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 19 . 3977 . 1 1 6 TRP NE1 N -2.828 -3.691 -1.899 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 19 . 3978 . 1 1 6 TRP O O -2.130 -1.798 1.708 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 19 . 3979 . 1 1 7 PRO C C -1.737 0.410 3.910 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 19 . 3980 . 1 1 7 PRO CA C -3.074 0.384 3.176 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 19 . 3981 . 1 1 7 PRO CB C -4.119 1.203 3.941 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 19 . 3982 . 1 1 7 PRO CD C -4.860 -1.070 3.980 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 19 . 3983 . 1 1 7 PRO CG C -4.842 0.205 4.777 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 19 . 3984 . 1 1 7 PRO HA H -2.948 0.795 2.186 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 19 . 3985 . 1 1 7 PRO HB3 H -4.782 1.688 3.242 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 3986 . 1 1 7 PRO HD3 H -5.754 -1.125 3.375 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 19 . 3987 . 1 1 7 PRO HG3 H -5.851 0.546 4.961 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 19 . 3988 . 1 1 7 PRO N N -3.660 -0.957 3.134 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 19 . 3989 . 1 1 7 PRO O O -1.684 0.257 5.131 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 19 . 3990 . 1 1 8 ILE C C 1.544 1.695 3.035 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 19 . 3991 . 1 1 8 ILE CA C 0.677 0.655 3.737 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 19 . 3992 . 1 1 8 ILE CB C 1.374 -0.716 3.659 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 19 . 3993 . 1 1 8 ILE CD1 C 0.973 -0.819 1.148 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 19 . 3994 . 1 1 8 ILE CG1 C 1.982 -0.924 2.270 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 19 . 3995 . 1 1 8 ILE CG2 C 0.392 -1.830 3.988 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 19 . 3996 . 1 1 8 ILE H H -0.766 0.723 2.190 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 19 . 3997 . 1 1 8 ILE HA H 0.579 0.927 4.778 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 19 . 3998 . 1 1 8 ILE HB H 2.162 -0.737 4.395 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 19 . 3999 . 1 1 8 ILE HD11 H 0.691 0.214 1.014 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 19 . 4000 . 1 1 8 ILE HD12 H 1.408 -1.194 0.235 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 19 . 4001 . 1 1 8 ILE HD13 H 0.095 -1.400 1.394 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 19 . 4002 . 1 1 8 ILE HG13 H 2.426 -1.909 2.224 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 19 . 4003 . 1 1 8 ILE HG21 H 0.899 -2.781 3.949 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 19 . 4004 . 1 1 8 ILE HG22 H -0.011 -1.676 4.977 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 19 . 4005 . 1 1 8 ILE HG23 H -0.414 -1.822 3.267 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 19 . 4006 . 1 1 8 ILE N N -0.659 0.608 3.158 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 19 . 4007 . 1 1 8 ILE O O 1.168 2.231 1.991 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 19 . 4008 . 1 1 9 CYS C C 5.061 2.415 3.055 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 19 . 4009 . 1 1 9 CYS CA C 3.631 2.947 3.040 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 19 . 4010 . 1 1 9 CYS CB C 3.557 4.265 3.814 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 19 . 4011 . 1 1 9 CYS H H 2.954 1.513 4.443 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 19 . 4012 . 1 1 9 CYS HA H 3.338 3.125 2.017 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 19 . 4013 . 1 1 9 CYS HB3 H 4.555 4.667 3.924 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 4014 . 1 1 9 CYS N N 2.709 1.974 3.611 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 19 . 4015 . 1 1 9 CYS O O 5.494 1.794 4.026 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 19 . 4016 . 1 1 9 CYS SG S 2.532 5.541 3.015 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 19 . 4017 . 1 1 10 PHE C C 8.108 3.382 1.590 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 19 . 4018 . 1 1 10 PHE CA C 7.171 2.210 1.860 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 19 . 4019 . 1 1 10 PHE CB C 7.300 1.171 0.742 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 19 . 4020 . 1 1 10 PHE CD1 C 7.695 -0.781 2.268 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 19 . 4021 . 1 1 10 PHE CD2 C 6.061 -1.003 0.546 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 19 . 4022 . 1 1 10 PHE CE1 C 7.432 -2.073 2.686 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 19 . 4023 . 1 1 10 PHE CE2 C 5.796 -2.295 0.958 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 19 . 4024 . 1 1 10 PHE CG C 7.012 -0.232 1.196 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 19 . 4025 . 1 1 10 PHE CZ C 6.481 -2.830 2.030 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 19 . 4026 . 1 1 10 PHE H H 5.390 3.164 1.232 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 19 . 4027 . 1 1 10 PHE HA H 7.447 1.753 2.798 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 19 . 4028 . 1 1 10 PHE HB3 H 8.306 1.196 0.351 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 4029 . 1 1 10 PHE HD1 H 8.439 -0.190 2.783 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 19 . 4030 . 1 1 10 PHE HD2 H 5.523 -0.584 -0.293 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 19 . 4031 . 1 1 10 PHE HE1 H 7.971 -2.489 3.525 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 19 . 4032 . 1 1 10 PHE HE2 H 5.051 -2.884 0.445 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 19 . 4033 . 1 1 10 PHE HZ H 6.275 -3.840 2.354 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 19 . 4034 . 1 1 10 PHE N N 5.790 2.664 1.972 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 19 . 4035 . 1 1 10 PHE O O 7.694 4.451 1.140 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 19 . 4036 . 1 1 11 PRO C C 10.690 4.479 0.184 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 19 . 4037 . 1 1 11 PRO CA C 10.430 4.208 1.662 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 19 . 4038 . 1 1 11 PRO CB C 11.673 3.606 2.322 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 19 . 4039 . 1 1 11 PRO CD C 9.971 1.929 2.404 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 19 . 4040 . 1 1 11 PRO CG C 11.454 2.133 2.270 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 19 . 4041 . 1 1 11 PRO HA H 10.169 5.131 2.157 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 19 . 4042 . 1 1 11 PRO HB3 H 11.751 3.957 3.340 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 4043 . 1 1 11 PRO HD3 H 9.700 1.800 3.442 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 19 . 4044 . 1 1 11 PRO HG3 H 11.973 1.657 3.089 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 19 . 4045 . 1 1 11 PRO N N 9.405 3.179 1.868 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 19 . 4046 . 1 1 11 PRO O O 11.307 5.483 -0.172 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 19 . 4047 . 1 1 12 ASP C C 9.407 4.736 -2.684 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 19 . 4048 . 1 1 12 ASP CA C 10.395 3.725 -2.110 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 19 . 4049 . 1 1 12 ASP CB C 10.220 2.375 -2.805 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 19 . 4050 . 1 1 12 ASP CG C 10.982 2.294 -4.114 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 19 . 4051 . 1 1 12 ASP H H 9.731 2.801 -0.325 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 19 . 4052 . 1 1 12 ASP HA H 11.399 4.082 -2.285 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 19 . 4053 . 1 1 12 ASP HB3 H 9.174 2.213 -3.009 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 4054 . 1 1 12 ASP N N 10.215 3.582 -0.670 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 19 . 4055 . 1 1 12 ASP O O 9.772 5.583 -3.498 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 19 . 4056 . 1 1 12 ASP OD1 O 10.439 2.742 -5.146 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 19 . 4057 . 1 1 12 ASP OD2 O 12.122 1.781 -4.106 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 19 . 4058 . 1 1 13 GLY C C 5.766 4.900 -2.820 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 19 . 4059 . 1 1 13 GLY CA C 7.130 5.551 -2.733 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 19 . 4060 . 1 1 13 GLY H H 7.920 3.945 -1.601 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 19 . 4061 . 1 1 13 GLY HA2 H 7.071 6.396 -2.060 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 19 . 4062 . 1 1 13 GLY HA3 H 7.413 5.904 -3.714 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 19 . 4063 . 1 1 13 GLY N N 8.153 4.641 -2.250 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 19 . 4064 . 1 1 13 GLY O O 4.740 5.577 -2.764 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 19 . 4065 . 1 1 14 ARG C C 3.665 3.005 -1.796 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 19 . 4066 . 1 1 14 ARG CA C 4.502 2.834 -3.060 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 19 . 4067 . 1 1 14 ARG CB C 4.787 1.348 -3.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 19 . 4068 . 1 1 14 ARG CD C 4.185 0.740 -5.660 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 19 . 4069 . 1 1 14 ARG CG C 5.315 1.044 -4.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 19 . 4070 . 1 1 14 ARG CZ C 4.069 2.814 -6.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 19 . 4071 . 1 1 14 ARG H H 6.603 3.091 -2.999 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 19 . 4072 . 1 1 14 ARG HA H 3.949 3.224 -3.901 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 19 . 4073 . 1 1 14 ARG HB3 H 3.873 0.793 -3.153 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 19 . 4074 . 1 1 14 ARG HD3 H 3.462 0.110 -5.163 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 19 . 4075 . 1 1 14 ARG HE H 2.619 2.138 -5.781 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 19 . 4076 . 1 1 14 ARG HG3 H 5.973 0.189 -4.635 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 19 . 4077 . 1 1 14 ARG HH11 H 5.790 1.777 -7.173 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 19 . 4078 . 1 1 14 ARG HH12 H 5.696 3.242 -8.094 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 19 . 4079 . 1 1 14 ARG HH21 H 2.482 4.066 -6.989 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 19 . 4080 . 1 1 14 ARG HH22 H 3.812 4.544 -7.988 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 19 . 4081 . 1 1 14 ARG N N 5.752 3.578 -2.960 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 19 . 4082 . 1 1 14 ARG NE N 3.518 1.955 -6.122 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 19 . 4083 . 1 1 14 ARG NH1 N 5.284 2.595 -7.452 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 19 . 4084 . 1 1 14 ARG NH2 N 3.398 3.897 -7.347 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 19 . 4085 . 1 1 14 ARG O O 4.181 2.920 -0.682 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 1 . 20 . 4086 . 1 1 1 CYS C C -0.026 3.771 -1.051 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30382_6bvx 1 . 20 . 4087 . 1 1 1 CYS CA C 0.998 4.308 -0.055 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30382_6bvx 1 . 20 . 4088 . 1 1 1 CYS CB C 0.331 5.310 0.892 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30382_6bvx 1 . 20 . 4089 . 1 1 1 CYS H1 H 2.125 5.913 -0.855 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30382_6bvx 1 . 20 . 4090 . 1 1 1 CYS HA H 1.387 3.484 0.523 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30382_6bvx 1 . 20 . 4091 . 1 1 1 CYS HB3 H -0.567 4.865 1.297 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4092 . 1 1 1 CYS N N 2.116 4.937 -0.749 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30382_6bvx 1 . 20 . 4093 . 1 1 1 CYS O O -0.459 4.483 -1.959 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30382_6bvx 1 . 20 . 4094 . 1 1 1 CYS SG S 1.378 5.822 2.291 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30382_6bvx 1 . 20 . 4095 . 1 1 2 THR C C -2.805 2.086 -1.247 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30382_6bvx 1 . 20 . 4096 . 1 1 2 THR CA C -1.383 1.876 -1.755 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30382_6bvx 1 . 20 . 4097 . 1 1 2 THR CB C -1.116 0.367 -1.893 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30382_6bvx 1 . 20 . 4098 . 1 1 2 THR CG2 C 0.147 0.112 -2.703 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30382_6bvx 1 . 20 . 4099 . 1 1 2 THR H H -0.029 1.997 -0.131 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30382_6bvx 1 . 20 . 4100 . 1 1 2 THR HA H -1.289 2.329 -2.732 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30382_6bvx 1 . 20 . 4101 . 1 1 2 THR HB H -1.952 -0.086 -2.406 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30382_6bvx 1 . 20 . 4102 . 1 1 2 THR HG1 H -1.367 -1.109 -0.608 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30382_6bvx 1 . 20 . 4103 . 1 1 2 THR HG21 H 0.313 -0.952 -2.785 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30382_6bvx 1 . 20 . 4104 . 1 1 2 THR HG22 H 0.991 0.571 -2.209 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30382_6bvx 1 . 20 . 4105 . 1 1 2 THR HG23 H 0.032 0.537 -3.688 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30382_6bvx 1 . 20 . 4106 . 1 1 2 THR N N -0.412 2.512 -0.873 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30382_6bvx 1 . 20 . 4107 . 1 1 2 THR O O -3.012 2.473 -0.096 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30382_6bvx 1 . 20 . 4108 . 1 1 2 THR OG1 O -0.985 -0.227 -0.597 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30382_6bvx 1 . 20 . 4109 . 1 1 3 HIS C C -5.790 0.650 -1.324 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c30382_6bvx 1 . 20 . 4110 . 1 1 3 HIS CA C -5.184 1.985 -1.747 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c30382_6bvx 1 . 20 . 4111 . 1 1 3 HIS CB C -5.975 2.568 -2.920 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c30382_6bvx 1 . 20 . 4112 . 1 1 3 HIS CD2 C -5.471 5.076 -3.343 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4113 . 1 1 3 HIS CE1 C -3.964 4.841 -4.918 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4114 . 1 1 3 HIS CG C -5.313 3.750 -3.559 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c30382_6bvx 1 . 20 . 4115 . 1 1 3 HIS H H -3.554 1.522 -3.012 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c30382_6bvx 1 . 20 . 4116 . 1 1 3 HIS HA H -5.237 2.669 -0.914 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c30382_6bvx 1 . 20 . 4117 . 1 1 3 HIS HB3 H -6.948 2.879 -2.571 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4118 . 1 1 3 HIS HD1 H -4.030 2.796 -4.933 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4119 . 1 1 3 HIS HD2 H -6.140 5.535 -2.628 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4120 . 1 1 3 HIS HE1 H -3.226 5.059 -5.676 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4121 . 1 1 3 HIS N N -3.780 1.827 -2.111 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c30382_6bvx 1 . 20 . 4122 . 1 1 3 HIS ND1 N -4.364 3.636 -4.553 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c30382_6bvx 1 . 20 . 4123 . 1 1 3 HIS NE2 N -4.620 5.734 -4.199 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4124 . 1 1 3 HIS O O -5.075 -0.330 -1.120 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c30382_6bvx 1 . 20 . 4125 . 1 1 4 . C C -8.073 -0.602 0.709 . . . 1.0 . . . . . . . . . . . . A . 4 DPN C . . . . . . . . . c30382_6bvx 1 . 20 . 4126 . 1 1 4 . CA C -7.815 -0.594 -0.793 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CA . . . . . . . . . c30382_6bvx 1 . 20 . 4127 . 1 1 4 . CB C -9.139 -0.714 -1.552 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CB . . . . . . . . . c30382_6bvx 1 . 20 . 4128 . 1 1 4 . CD1 C -9.964 1.483 -2.438 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4129 . 1 1 4 . CD2 C -10.848 0.690 -0.370 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4130 . 1 1 4 . CE1 C -10.757 2.612 -2.349 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4131 . 1 1 4 . CE2 C -11.643 1.818 -0.276 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4132 . 1 1 4 . CG C -10.001 0.510 -1.450 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CG . . . . . . . . . c30382_6bvx 1 . 20 . 4133 . 1 1 4 . CZ C -11.599 2.779 -1.267 . . . 1.0 . . . . . . . . . . . . A . 4 DPN CZ . . . . . . . . . c30382_6bvx 1 . 20 . 4134 . 1 1 4 . H H -7.629 1.436 -1.370 . . . 1.0 . . . . . . . . . . . . A . 4 DPN H . . . . . . . . . c30382_6bvx 1 . 20 . 4135 . 1 1 4 . HA H -7.187 -1.434 -1.045 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HA . . . . . . . . . c30382_6bvx 1 . 20 . 4136 . 1 1 4 . HB2 H -9.698 -1.548 -1.152 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB2 . . . . . . . . . c30382_6bvx 1 . 20 . 4137 . 1 1 4 . HB3 H -8.931 -0.892 -2.596 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4138 . 1 1 4 . HD1 H -9.308 1.352 -3.285 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4139 . 1 1 4 . HD2 H -10.885 -0.060 0.405 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4140 . 1 1 4 . HE1 H -10.720 3.360 -3.126 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4141 . 1 1 4 . HE2 H -12.301 1.946 0.573 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4142 . 1 1 4 . HZ H -12.218 3.661 -1.194 . . . 1.0 . . . . . . . . . . . . A . 4 DPN HZ . . . . . . . . . c30382_6bvx 1 . 20 . 4143 . 1 1 4 . N N -7.113 0.621 -1.193 . . . 1.0 . . . . . . . . . . . . A . 4 DPN N . . . . . . . . . c30382_6bvx 1 . 20 . 4144 . 1 1 4 . O O -8.238 0.449 1.328 . . . 1.0 . . . . . . . . . . . . A . 4 DPN O . . . . . . . . . c30382_6bvx 1 . 20 . 4145 . 1 1 5 MMO C C -7.052 -2.296 3.455 . . . 1.0 . . . . . . . . . . . . A . 5 MMO C . . . . . . . . . c30382_6bvx 1 . 20 . 4146 . 1 1 5 MMO CA C -8.345 -1.943 2.723 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CA . . . . . . . . . c30382_6bvx 1 . 20 . 4147 . 1 1 5 MMO CB C -9.398 -3.025 2.976 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CB . . . . . . . . . c30382_6bvx 1 . 20 . 4148 . 1 1 5 MMO CD C -11.495 -1.687 2.618 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CD . . . . . . . . . c30382_6bvx 1 . 20 . 4149 . 1 1 5 MMO CG C -10.654 -2.859 2.138 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CG . . . . . . . . . c30382_6bvx 1 . 20 . 4150 . 1 1 5 MMO CN C -7.900 -2.999 0.471 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CN . . . . . . . . . c30382_6bvx 1 . 20 . 4151 . 1 1 5 MMO CZ C -12.548 -0.922 4.704 . . . 1.0 . . . . . . . . . . . . A . 5 MMO CZ . . . . . . . . . c30382_6bvx 1 . 20 . 4152 . 1 1 5 MMO HA H -8.711 -1.000 3.096 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HA . . . . . . . . . c30382_6bvx 1 . 20 . 4153 . 1 1 5 MMO HC1 H -8.026 -3.887 1.090 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC1 . . . . . . . . . c30382_6bvx 1 . 20 . 4154 . 1 1 5 MMO HC2 H -6.890 -2.986 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC2 . . . . . . . . . c30382_6bvx 1 . 20 . 4155 . 1 1 5 MMO HC3 H -8.624 -3.015 -0.343 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HC3 . . . . . . . . . c30382_6bvx 1 . 20 . 4156 . 1 1 5 MMO HCB1 H -8.967 -3.990 2.755 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB1 . . . . . . . . . c30382_6bvx 1 . 20 . 4157 . 1 1 5 MMO HCB2 H -9.681 -2.994 4.018 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCB2 . . . . . . . . . c30382_6bvx 1 . 20 . 4158 . 1 1 5 MMO HCD1 H -10.894 -0.790 2.582 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4159 . 1 1 5 MMO HCD2 H -12.344 -1.578 1.959 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4160 . 1 1 5 MMO HCG1 H -10.370 -2.687 1.110 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG1 . . . . . . . . . c30382_6bvx 1 . 20 . 4161 . 1 1 5 MMO HCG2 H -11.241 -3.763 2.204 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HCG2 . . . . . . . . . c30382_6bvx 1 . 20 . 4162 . 1 1 5 MMO HH11 H -12.840 -2.088 6.329 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH11 . . . . . . . . . c30382_6bvx 1 . 20 . 4163 . 1 1 5 MMO HH12 H -13.389 -0.453 6.481 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH12 . . . . . . . . . c30382_6bvx 1 . 20 . 4164 . 1 1 5 MMO HH21 H -12.401 0.485 3.260 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH21 . . . . . . . . . c30382_6bvx 1 . 20 . 4165 . 1 1 5 MMO HH22 H -13.139 1.010 4.737 . . . 1.0 . . . . . . . . . . . . A . 5 MMO HH22 . . . . . . . . . c30382_6bvx 1 . 20 . 4166 . 1 1 5 MMO N N -8.107 -1.797 1.291 . . . 1.0 . . . . . . . . . . . . A . 5 MMO N . . . . . . . . . c30382_6bvx 1 . 20 . 4167 . 1 1 5 MMO NE N -11.976 -1.880 3.982 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NE . . . . . . . . . c30382_6bvx 1 . 20 . 4168 . 1 1 5 MMO NH1 N -12.960 -1.176 5.940 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH1 . . . . . . . . . c30382_6bvx 1 . 20 . 4169 . 1 1 5 MMO NH2 N -12.708 0.291 4.191 . . . 1.0 . . . . . . . . . . . . A . 5 MMO NH2 . . . . . . . . . c30382_6bvx 1 . 20 . 4170 . 1 1 5 MMO O O -7.082 -2.881 4.537 . . . 1.0 . . . . . . . . . . . . A . 5 MMO O . . . . . . . . . c30382_6bvx 1 . 20 . 4171 . 1 1 6 TRP C C -3.538 -1.345 2.823 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c30382_6bvx 1 . 20 . 4172 . 1 1 6 TRP CA C -4.621 -2.213 3.451 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c30382_6bvx 1 . 20 . 4173 . 1 1 6 TRP CB C -4.267 -3.693 3.287 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c30382_6bvx 1 . 20 . 4174 . 1 1 6 TRP CD1 C -4.068 -4.055 0.758 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4175 . 1 1 6 TRP CD2 C -5.798 -5.114 1.705 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4176 . 1 1 6 TRP CE2 C -5.803 -5.395 0.326 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4177 . 1 1 6 TRP CE3 C -6.793 -5.677 2.508 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c30382_6bvx 1 . 20 . 4178 . 1 1 6 TRP CG C -4.680 -4.256 1.959 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c30382_6bvx 1 . 20 . 4179 . 1 1 6 TRP CH2 C -7.727 -6.745 0.545 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c30382_6bvx 1 . 20 . 4180 . 1 1 6 TRP CZ2 C -6.763 -6.210 -0.266 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c30382_6bvx 1 . 20 . 4181 . 1 1 6 TRP CZ3 C -7.747 -6.483 1.922 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c30382_6bvx 1 . 20 . 4182 . 1 1 6 TRP H H -5.965 -1.472 1.993 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c30382_6bvx 1 . 20 . 4183 . 1 1 6 TRP HA H -4.683 -1.982 4.505 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c30382_6bvx 1 . 20 . 4184 . 1 1 6 TRP HB3 H -4.761 -4.262 4.060 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4185 . 1 1 6 TRP HD1 H -3.189 -3.445 0.617 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4186 . 1 1 6 TRP HE1 H -4.492 -4.748 -1.180 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4187 . 1 1 6 TRP HE3 H -6.826 -5.486 3.572 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c30382_6bvx 1 . 20 . 4188 . 1 1 6 TRP HH2 H -8.492 -7.382 0.128 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c30382_6bvx 1 . 20 . 4189 . 1 1 6 TRP HZ2 H -6.761 -6.420 -1.326 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c30382_6bvx 1 . 20 . 4190 . 1 1 6 TRP HZ3 H -8.525 -6.925 2.527 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c30382_6bvx 1 . 20 . 4191 . 1 1 6 TRP N N -5.924 -1.936 2.856 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c30382_6bvx 1 . 20 . 4192 . 1 1 6 TRP NE1 N -4.737 -4.735 -0.231 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4193 . 1 1 6 TRP O O -2.643 -1.832 2.132 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c30382_6bvx 1 . 20 . 4194 . 1 1 7 PRO C C -1.279 0.801 3.178 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30382_6bvx 1 . 20 . 4195 . 1 1 7 PRO CA C -2.652 0.937 2.529 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30382_6bvx 1 . 20 . 4196 . 1 1 7 PRO CB C -3.276 2.292 2.872 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30382_6bvx 1 . 20 . 4197 . 1 1 7 PRO CD C -4.660 0.621 3.879 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30382_6bvx 1 . 20 . 4198 . 1 1 7 PRO CG C -4.140 2.021 4.055 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30382_6bvx 1 . 20 . 4199 . 1 1 7 PRO HA H -2.553 0.845 1.457 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30382_6bvx 1 . 20 . 4200 . 1 1 7 PRO HB3 H -3.855 2.648 2.034 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4201 . 1 1 7 PRO HD3 H -5.605 0.632 3.356 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 20 . 4202 . 1 1 7 PRO HG3 H -4.959 2.725 4.078 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 20 . 4203 . 1 1 7 PRO N N -3.619 -0.026 3.065 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30382_6bvx 1 . 20 . 4204 . 1 1 7 PRO O O -1.098 1.142 4.348 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30382_6bvx 1 . 20 . 4205 . 1 1 8 ILE C C 2.006 1.108 2.256 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30382_6bvx 1 . 20 . 4206 . 1 1 8 ILE CA C 1.043 0.125 2.915 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30382_6bvx 1 . 20 . 4207 . 1 1 8 ILE CB C 1.548 -1.310 2.677 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30382_6bvx 1 . 20 . 4208 . 1 1 8 ILE CD1 C -0.411 -2.455 3.829 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4209 . 1 1 8 ILE CG1 C 1.085 -2.231 3.807 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30382_6bvx 1 . 20 . 4210 . 1 1 8 ILE CG2 C 3.064 -1.325 2.561 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30382_6bvx 1 . 20 . 4211 . 1 1 8 ILE H H -0.519 0.049 1.489 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30382_6bvx 1 . 20 . 4212 . 1 1 8 ILE HA H 1.031 0.310 3.980 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30382_6bvx 1 . 20 . 4213 . 1 1 8 ILE HB H 1.136 -1.662 1.744 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30382_6bvx 1 . 20 . 4214 . 1 1 8 ILE HD11 H -0.913 -1.514 4.014 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30382_6bvx 1 . 20 . 4215 . 1 1 8 ILE HD12 H -0.730 -2.855 2.882 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30382_6bvx 1 . 20 . 4216 . 1 1 8 ILE HD13 H -0.659 -3.152 4.617 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30382_6bvx 1 . 20 . 4217 . 1 1 8 ILE HG13 H 1.371 -1.798 4.754 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30382_6bvx 1 . 20 . 4218 . 1 1 8 ILE HG21 H 3.354 -0.973 1.583 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30382_6bvx 1 . 20 . 4219 . 1 1 8 ILE HG22 H 3.489 -0.679 3.313 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30382_6bvx 1 . 20 . 4220 . 1 1 8 ILE HG23 H 3.427 -2.333 2.703 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30382_6bvx 1 . 20 . 4221 . 1 1 8 ILE N N -0.315 0.302 2.413 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30382_6bvx 1 . 20 . 4222 . 1 1 8 ILE O O 1.948 1.332 1.047 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30382_6bvx 1 . 20 . 4223 . 1 1 9 CYS C C 5.234 1.982 2.370 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30382_6bvx 1 . 20 . 4224 . 1 1 9 CYS CA C 3.871 2.644 2.555 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30382_6bvx 1 . 20 . 4225 . 1 1 9 CYS CB C 3.992 3.832 3.510 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30382_6bvx 1 . 20 . 4226 . 1 1 9 CYS H H 2.889 1.464 4.014 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30382_6bvx 1 . 20 . 4227 . 1 1 9 CYS HA H 3.525 2.998 1.594 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30382_6bvx 1 . 20 . 4228 . 1 1 9 CYS HB3 H 4.804 4.465 3.183 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4229 . 1 1 9 CYS N N 2.893 1.685 3.059 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30382_6bvx 1 . 20 . 4230 . 1 1 9 CYS O O 5.783 1.400 3.305 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30382_6bvx 1 . 20 . 4231 . 1 1 9 CYS SG S 2.491 4.860 3.612 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30382_6bvx 1 . 20 . 4232 . 1 1 10 PHE C C 8.197 2.485 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 PHE C . . . . . . . . . c30382_6bvx 1 . 20 . 4233 . 1 1 10 PHE CA C 7.073 1.490 0.854 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CA . . . . . . . . . c30382_6bvx 1 . 20 . 4234 . 1 1 10 PHE CB C 7.118 1.035 -0.607 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CB . . . . . . . . . c30382_6bvx 1 . 20 . 4235 . 1 1 10 PHE CD1 C 7.109 -1.421 -0.094 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4236 . 1 1 10 PHE CD2 C 5.592 -0.603 -1.741 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4237 . 1 1 10 PHE CE1 C 6.630 -2.703 -0.284 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4238 . 1 1 10 PHE CE2 C 5.107 -1.883 -1.935 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4239 . 1 1 10 PHE CG C 6.595 -0.358 -0.818 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CG . . . . . . . . . c30382_6bvx 1 . 20 . 4240 . 1 1 10 PHE CZ C 5.627 -2.934 -1.208 . . . 1.0 . . . . . . . . . . . . A . 10 PHE CZ . . . . . . . . . c30382_6bvx 1 . 20 . 4241 . 1 1 10 PHE H H 5.288 2.556 0.457 . . . 1.0 . . . . . . . . . . . . A . 10 PHE H . . . . . . . . . c30382_6bvx 1 . 20 . 4242 . 1 1 10 PHE HA H 7.205 0.633 1.493 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HA . . . . . . . . . c30382_6bvx 1 . 20 . 4243 . 1 1 10 PHE HB3 H 8.139 1.063 -0.952 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4244 . 1 1 10 PHE HD1 H 7.893 -1.241 0.629 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4245 . 1 1 10 PHE HD2 H 5.182 0.219 -2.311 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4246 . 1 1 10 PHE HE1 H 7.039 -3.524 0.286 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE1 . . . . . . . . . c30382_6bvx 1 . 20 . 4247 . 1 1 10 PHE HE2 H 4.325 -2.061 -2.657 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HE2 . . . . . . . . . c30382_6bvx 1 . 20 . 4248 . 1 1 10 PHE HZ H 5.252 -3.935 -1.358 . . . 1.0 . . . . . . . . . . . . A . 10 PHE HZ . . . . . . . . . c30382_6bvx 1 . 20 . 4249 . 1 1 10 PHE N N 5.774 2.078 1.159 . . . 1.0 . . . . . . . . . . . . A . 10 PHE N . . . . . . . . . c30382_6bvx 1 . 20 . 4250 . 1 1 10 PHE O O 7.985 3.694 1.202 . . . 1.0 . . . . . . . . . . . . A . 10 PHE O . . . . . . . . . c30382_6bvx 1 . 20 . 4251 . 1 1 11 PRO C C 11.007 3.633 0.328 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c30382_6bvx 1 . 20 . 4252 . 1 1 11 PRO CA C 10.608 2.787 1.535 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c30382_6bvx 1 . 20 . 4253 . 1 1 11 PRO CB C 11.695 1.755 1.845 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c30382_6bvx 1 . 20 . 4254 . 1 1 11 PRO CD C 9.751 0.529 1.191 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c30382_6bvx 1 . 20 . 4255 . 1 1 11 PRO CG C 11.254 0.516 1.146 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c30382_6bvx 1 . 20 . 4256 . 1 1 11 PRO HA H 10.462 3.428 2.391 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c30382_6bvx 1 . 20 . 4257 . 1 1 11 PRO HB3 H 11.760 1.604 2.912 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4258 . 1 1 11 PRO HD3 H 9.395 0.004 2.064 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c30382_6bvx 1 . 20 . 4259 . 1 1 11 PRO HG3 H 11.637 -0.352 1.663 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c30382_6bvx 1 . 20 . 4260 . 1 1 11 PRO N N 9.425 1.964 1.271 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c30382_6bvx 1 . 20 . 4261 . 1 1 11 PRO O O 11.879 4.495 0.425 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c30382_6bvx 1 . 20 . 4262 . 1 1 12 ASP C C 9.758 5.359 -2.134 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c30382_6bvx 1 . 20 . 4263 . 1 1 12 ASP CA C 10.645 4.120 -2.027 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c30382_6bvx 1 . 20 . 4264 . 1 1 12 ASP CB C 10.440 3.225 -3.249 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c30382_6bvx 1 . 20 . 4265 . 1 1 12 ASP CG C 10.961 3.859 -4.524 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c30382_6bvx 1 . 20 . 4266 . 1 1 12 ASP H H 9.674 2.681 -0.818 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c30382_6bvx 1 . 20 . 4267 . 1 1 12 ASP HA H 11.677 4.435 -1.992 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c30382_6bvx 1 . 20 . 4268 . 1 1 12 ASP HB3 H 9.385 3.028 -3.371 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4269 . 1 1 12 ASP N N 10.360 3.381 -0.802 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c30382_6bvx 1 . 20 . 4270 . 1 1 12 ASP O O 10.174 6.390 -2.658 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c30382_6bvx 1 . 20 . 4271 . 1 1 12 ASP OD1 O 10.481 3.482 -5.614 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c30382_6bvx 1 . 20 . 4272 . 1 1 12 ASP OD2 O 11.849 4.731 -4.434 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c30382_6bvx 1 . 20 . 4273 . 1 1 13 GLY C C 6.304 6.004 -2.372 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30382_6bvx 1 . 20 . 4274 . 1 1 13 GLY CA C 7.605 6.361 -1.681 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30382_6bvx 1 . 20 . 4275 . 1 1 13 GLY H H 8.254 4.398 -1.225 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30382_6bvx 1 . 20 . 4276 . 1 1 13 GLY HA2 H 7.388 6.681 -0.673 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30382_6bvx 1 . 20 . 4277 . 1 1 13 GLY HA3 H 8.070 7.178 -2.214 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30382_6bvx 1 . 20 . 4278 . 1 1 13 GLY N N 8.531 5.246 -1.631 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30382_6bvx 1 . 20 . 4279 . 1 1 13 GLY O O 6.128 6.283 -3.559 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30382_6bvx 1 . 20 . 4280 . 1 1 14 ARG C C 3.239 4.319 -1.115 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30382_6bvx 1 . 20 . 4281 . 1 1 14 ARG CA C 4.102 4.987 -2.183 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30382_6bvx 1 . 20 . 4282 . 1 1 14 ARG CB C 4.300 4.035 -3.363 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30382_6bvx 1 . 20 . 4283 . 1 1 14 ARG CD C 3.456 3.658 -5.701 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30382_6bvx 1 . 20 . 4284 . 1 1 14 ARG CG C 4.012 4.672 -4.713 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30382_6bvx 1 . 20 . 4285 . 1 1 14 ARG CZ C 4.805 4.164 -7.693 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30382_6bvx 1 . 20 . 4286 . 1 1 14 ARG H H 5.591 5.190 -0.691 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30382_6bvx 1 . 20 . 4287 . 1 1 14 ARG HA H 3.600 5.877 -2.527 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30382_6bvx 1 . 20 . 4288 . 1 1 14 ARG HB3 H 3.642 3.187 -3.240 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30382_6bvx 1 . 20 . 4289 . 1 1 14 ARG HD3 H 2.405 3.519 -5.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30382_6bvx 1 . 20 . 4290 . 1 1 14 ARG HE H 2.822 4.340 -7.585 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30382_6bvx 1 . 20 . 4291 . 1 1 14 ARG HG3 H 4.927 5.084 -5.108 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30382_6bvx 1 . 20 . 4292 . 1 1 14 ARG HH11 H 5.861 3.529 -6.092 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30382_6bvx 1 . 20 . 4293 . 1 1 14 ARG HH12 H 6.798 3.889 -7.503 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30382_6bvx 1 . 20 . 4294 . 1 1 14 ARG HH21 H 4.046 4.818 -9.449 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30382_6bvx 1 . 20 . 4295 . 1 1 14 ARG HH22 H 5.765 4.625 -9.412 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30382_6bvx 1 . 20 . 4296 . 1 1 14 ARG N N 5.391 5.385 -1.631 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30382_6bvx 1 . 20 . 4297 . 1 1 14 ARG NE N 3.626 4.091 -7.085 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30382_6bvx 1 . 20 . 4298 . 1 1 14 ARG NH1 N 5.911 3.834 -7.043 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30382_6bvx 1 . 20 . 4299 . 1 1 14 ARG NH2 N 4.878 4.569 -8.953 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30382_6bvx 1 . 20 . 4300 . 1 1 14 ARG O O 3.515 3.195 -0.692 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30382_6bvx 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 c30382_6bvx _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 6bvx.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30382_6bvx 1 1 6bvx.mr . . XPLOR/CNS 2 distance NOE simple 101 c30382_6bvx 1 1 6bvx.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 4 c30382_6bvx 1 1 6bvx.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 4 c30382_6bvx 1 1 6bvx.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30382_6bvx 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c30382_6bvx _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 . . . . c30382_6bvx 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 2 2 THR H H . . . 1 1 2 2 THR MG H . . . . . 3.68 0.0 3.68 . . . . . A . 2 THR H . . A . 2 THR MG . . . 2 . HN . . . . . 2 . QG2 . . c30382_6bvx 1 2 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB3 H . . . . . 3.83 0.0 3.83 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB2 . . c30382_6bvx 1 3 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 3.83 0.0 3.83 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB1 . . c30382_6bvx 1 4 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HG2 H . . . . . 4.22 0.0 4.22 . . . . . A . 14 ARG H . . A . 14 ARG HG2 . . . 14 . HN . . . . . 14 . QG . . c30382_6bvx 1 4 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HG3 H . . . . . 4.22 0.0 4.22 . . . . . A . 14 ARG H . . A . 14 ARG HG3 . . . 14 . HN . . . . . 14 . QG . . c30382_6bvx 1 5 1 . . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HB H . . . . . 4.00 0.0 4.00 . . . . . A . 8 ILE H . . A . 8 ILE HB . . . 8 . HN . . . . . 8 . HB . . c30382_6bvx 1 6 1 . . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE MD H . . . . . 4.67 0.0 4.67 . . . . . A . 8 ILE H . . A . 8 ILE MD . . . 8 . HN . . . . . 8 . QD1 . . c30382_6bvx 1 7 1 . . 1 1 5 5 MMO HA H . . . 1 1 6 6 TRP H H . . . . . 3.31 0.0 3.31 . . . . . A . 5 MMO HA . . A . 6 TRP H . . . 5 . HA . . . . . 6 . HN . . c30382_6bvx 1 8 1 . . 1 1 2 2 THR MG H . . . 1 1 2 2 THR HA H . . . . . 3.50 0.0 3.50 . . . . . A . 2 THR MG . . A . 2 THR HA . . . 2 . QG2 . . . . . 2 . HA . . c30382_6bvx 1 9 1 . . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB3 H . . . . . 4.63 0.0 4.63 . . . . . A . 8 ILE H . . A . 7 PRO HB3 . . . 8 . HN . . . . . 7 . HB2 . . c30382_6bvx 1 10 1 . . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB2 H . . . . . 4.63 0.0 4.63 . . . . . A . 8 ILE H . . A . 7 PRO HB2 . . . 8 . HN . . . . . 7 . HB1 . . c30382_6bvx 1 11 1 . . 1 1 6 6 TRP H H . . . 1 1 7 7 PRO HD2 H . . . . . 4.18 0.0 4.18 . . . . . A . 6 TRP H . . A . 7 PRO HD2 . . . 6 . HN . . . . . 7 . HD1 . . c30382_6bvx 1 12 1 . . 1 1 6 6 TRP H H . . . 1 1 7 7 PRO HD3 H . . . . . 4.18 0.0 4.18 . . . . . A . 6 TRP H . . A . 7 PRO HD3 . . . 6 . HN . . . . . 7 . HD2 . . c30382_6bvx 1 13 1 . . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HA H . . . . . 2.93 0.0 2.93 . . . . . A . 8 ILE H . . A . 7 PRO HA . . . 8 . HN . . . . . 7 . HA . . c30382_6bvx 1 14 1 . . 1 1 2 2 THR MG H . . . 1 1 8 8 ILE H H . . . . . 4.94 0.0 4.94 . . . . . A . 2 THR MG . . A . 8 ILE H . . . 2 . QG2 . . . . . 8 . HN . . c30382_6bvx 1 15 1 . . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE MG H . . . . . 4.16 0.0 4.16 . . . . . A . 8 ILE HA . . A . 8 ILE MG . . . 8 . HA . . . . . 8 . QG2 . . c30382_6bvx 1 16 1 . . 1 1 8 8 ILE HB H . . . 1 1 8 8 ILE MD H . . . . . 3.75 0.0 3.75 . . . . . A . 8 ILE HB . . A . 8 ILE MD . . . 8 . HB . . . . . 8 . QD1 . . c30382_6bvx 1 17 1 . . 1 1 8 8 ILE MD H . . . 1 1 9 9 CYS H H . . . . . 4.41 0.0 4.41 . . . . . A . 8 ILE MD . . A . 9 CYS H . . . 8 . QD1 . . . . . 9 . HN . . c30382_6bvx 1 18 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 ILE HG13 H . . . . . 5.32 0.0 5.32 . . . . . A . 9 CYS H . . A . 8 ILE HG13 . . . 9 . HN . . . . . 8 . HG12 . . c30382_6bvx 1 19 1 . . 1 1 8 8 ILE HB H . . . 1 1 9 9 CYS H H . . . . . 4.26 0.0 4.26 . . . . . A . 8 ILE HB . . A . 9 CYS H . . . 8 . HB . . . . . 9 . HN . . c30382_6bvx 1 20 1 . . 1 1 8 8 ILE HA H . . . 1 1 9 9 CYS H H . . . . . 2.95 0.0 2.95 . . . . . A . 8 ILE HA . . A . 9 CYS H . . . 8 . HA . . . . . 9 . HN . . c30382_6bvx 1 21 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 4.00 0.0 4.00 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . HB2 . . c30382_6bvx 1 22 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 4.00 0.0 4.00 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . HB1 . . c30382_6bvx 1 23 1 . . 1 1 9 9 CYS HA H . . . 1 1 10 10 PHE H H . . . . . 2.91 0.0 2.91 . . . . . A . 9 CYS HA . . A . 10 PHE H . . . 9 . HA . . . . . 10 . HN . . c30382_6bvx 1 24 1 . . 1 1 6 6 TRP HA H . . . 1 1 7 7 PRO HD3 H . . . . . 3.87 0.0 3.87 . . . . . A . 6 TRP HA . . A . 7 PRO HD3 . . . 6 . HA . . . . . 7 . HD2 . . c30382_6bvx 1 25 1 . . 1 1 6 6 TRP HA H . . . 1 1 7 7 PRO HD2 H . . . . . 3.87 0.0 3.87 . . . . . A . 6 TRP HA . . A . 7 PRO HD2 . . . 6 . HA . . . . . 7 . HD1 . . c30382_6bvx 1 26 1 OR . 1 1 10 10 PHE HA H . . . 1 1 11 11 PRO HD2 H . . . . . 2.85 0.0 2.85 . . . . . A . 10 PHE HA . . A . 11 PRO HD2 . . . 10 . HA . . . . . 11 . QD . . c30382_6bvx 1 26 2 OR . 1 1 10 10 PHE HA H . . . 1 1 11 11 PRO HD3 H . . . . . 2.85 0.0 2.85 . . . . . A . 10 PHE HA . . A . 11 PRO HD3 . . . 10 . HA . . . . . 11 . QD . . c30382_6bvx 1 27 1 OR . 1 1 12 12 ASP H H . . . 1 1 11 11 PRO HD2 H . . . . . 4.23 0.0 4.23 . . . . . A . 12 ASP H . . A . 11 PRO HD2 . . . 12 . HN . . . . . 11 . QD . . c30382_6bvx 1 27 2 OR . 1 1 11 11 PRO HD3 H . . . 1 1 12 12 ASP H H . . . . . 4.23 0.0 4.23 . . . . . A . 11 PRO HD3 . . A . 12 ASP H . . . 11 . QD . . . . . 12 . HN . . c30382_6bvx 1 28 1 . . 1 1 12 12 ASP H H . . . 1 1 10 10 PHE HB3 H . . . . . 4.07 0.0 4.07 . . . . . A . 12 ASP H . . A . 10 PHE HB3 . . . 12 . HN . . . . . 10 . HB2 . . c30382_6bvx 1 29 1 . . 1 1 12 12 ASP H H . . . 1 1 10 10 PHE HB2 H . . . . . 4.07 0.0 4.07 . . . . . A . 12 ASP H . . A . 10 PHE HB2 . . . 12 . HN . . . . . 10 . HB1 . . c30382_6bvx 1 30 1 . . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE QD H . . . . . 4.72 0.0 4.72 . . . . . A . 10 PHE H . . A . 10 PHE QD . . . 10 . HN . . . . . 10 . QD . . c30382_6bvx 1 31 1 . . 1 1 10 10 PHE HA H . . . 1 1 10 10 PHE QD H . . . . . 4.29 0.0 4.29 . . . . . A . 10 PHE HA . . A . 10 PHE QD . . . 10 . HA . . . . . 10 . QD . . c30382_6bvx 1 32 1 OR . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HG2 H . . . . . 4.07 0.0 4.07 . . . . . A . 14 ARG HA . . A . 14 ARG HG2 . . . 14 . HA . . . . . 14 . QG . . c30382_6bvx 1 32 2 OR . 1 1 14 14 ARG HG3 H . . . 1 1 14 14 ARG HA H . . . . . 4.07 0.0 4.07 . . . . . A . 14 ARG HG3 . . A . 14 ARG HA . . . 14 . QG . . . . . 14 . HA . . c30382_6bvx 1 33 1 OR . 1 1 10 10 PHE QD H . . . 1 1 11 11 PRO HD2 H . . . . . 3.96 0.0 3.96 . . . . . A . 10 PHE QD . . A . 11 PRO HD2 . . . 10 . QD . . . . . 11 . QD . . c30382_6bvx 1 33 2 OR . 1 1 11 11 PRO HD3 H . . . 1 1 10 10 PHE QD H . . . . . 3.96 0.0 3.96 . . . . . A . 11 PRO HD3 . . A . 10 PHE QD . . . 11 . QD . . . . . 10 . QD . . c30382_6bvx 1 34 1 . . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HA H . . . . . 2.99 0.0 2.99 . . . . . A . 2 THR H . . A . 1 CYS HA . . . 2 . HN . . . . . 1 . HA . . c30382_6bvx 1 35 1 . . 1 1 10 10 PHE H H . . . 1 1 1 1 CYS HA H . . . . . 4.06 0.0 4.06 . . . . . A . 10 PHE H . . A . 1 CYS HA . . . 10 . HN . . . . . 1 . HA . . c30382_6bvx 1 36 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 ILE H H . . . . . 3.76 0.0 3.76 . . . . . A . 2 THR H . . A . 8 ILE H . . . 2 . HN . . . . . 8 . HN . . c30382_6bvx 1 37 1 . . 1 1 12 12 ASP H H . . . 1 1 13 13 GLY H H . . . . . 3.81 0.0 3.81 . . . . . A . 12 ASP H . . A . 13 GLY H . . . 12 . HN . . . . . 13 . HN . . c30382_6bvx 1 38 1 . . 1 1 14 14 ARG H H . . . 1 1 13 13 GLY H H . . . . . 3.72 0.0 3.72 . . . . . A . 14 ARG H . . A . 13 GLY H . . . 14 . HN . . . . . 13 . HN . . c30382_6bvx 1 39 1 . . 1 1 9 9 CYS HA H . . . 1 1 1 1 CYS HA H . . . . . 3.08 0.0 3.08 . . . . . A . 9 CYS HA . . A . 1 CYS HA . . . 9 . HA . . . . . 1 . HA . . c30382_6bvx 1 40 1 . . 1 1 9 9 CYS H H . . . 1 1 8 8 ILE HG12 H . . . . . 5.32 0.0 5.32 . . . . . A . 9 CYS H . . A . 8 ILE HG12 . . . 9 . HN . . . . . 8 . HG11 . . c30382_6bvx 1 41 1 . . 1 1 10 10 PHE QD H . . . 1 1 14 14 ARG HB3 H . . . . . 4.73 0.0 4.73 . . . . . A . 10 PHE QD . . A . 14 ARG HB3 . . . 10 . QD . . . . . 14 . HB2 . . c30382_6bvx 1 42 1 . . 1 1 10 10 PHE QD H . . . 1 1 14 14 ARG HB2 H . . . . . 4.73 0.0 4.73 . . . . . A . 10 PHE QD . . A . 14 ARG HB2 . . . 10 . QD . . . . . 14 . HB1 . . c30382_6bvx 1 43 1 . . 1 1 8 8 ILE MD H . . . 1 1 8 8 ILE HA H . . . . . 4.23 0.0 4.23 . . . . . A . 8 ILE MD . . A . 8 ILE HA . . . 8 . QD1 . . . . . 8 . HA . . c30382_6bvx 1 44 1 . . 1 1 2 2 THR HA H . . . 1 1 3 3 HIS H H . . . . . 3.03 0.0 3.03 . . . . . A . 2 THR HA . . A . 3 HIS H . . . 2 . HA . . . . . 3 . HN . . c30382_6bvx 1 45 1 . . 1 1 3 3 HIS H H . . . 1 1 2 2 THR HB H . . . . . 3.44 0.0 3.44 . . . . . A . 3 HIS H . . A . 2 THR HB . . . 3 . HN . . . . . 2 . HB . . c30382_6bvx 1 46 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HE3 H . . . . . 4.65 0.0 4.65 . . . . . A . 6 TRP HA . . A . 6 TRP HE3 . . . 6 . HA . . . . . 6 . HE3 . . c30382_6bvx 1 47 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HD1 H . . . . . 4.48 0.0 4.48 . . . . . A . 6 TRP HA . . A . 6 TRP HD1 . . . 6 . HA . . . . . 6 . HD1 . . c30382_6bvx 1 48 1 . . 1 1 2 2 THR H H . . . 1 1 9 9 CYS HA H . . . . . 4.48 0.0 4.48 . . . . . A . 2 THR H . . A . 9 CYS HA . . . 2 . HN . . . . . 9 . HA . . c30382_6bvx 1 49 1 . . 1 1 2 2 THR MG H . . . 1 1 3 3 HIS H H . . . . . 4.47 0.0 4.47 . . . . . A . 2 THR MG . . A . 3 HIS H . . . 2 . QG2 . . . . . 3 . HN . . c30382_6bvx 1 50 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 ILE MD H . . . . . 5.50 0.0 5.50 . . . . . A . 2 THR H . . A . 8 ILE MD . . . 2 . HN . . . . . 8 . QD1 . . c30382_6bvx 1 51 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 ILE HB H . . . . . 5.50 0.0 5.50 . . . . . A . 2 THR H . . A . 8 ILE HB . . . 2 . HN . . . . . 8 . HB . . c30382_6bvx 1 52 1 OR . 1 1 10 10 PHE QD H . . . 1 1 14 14 ARG HG2 H . . . . . 5.11 0.0 5.11 . . . . . A . 10 PHE QD . . A . 14 ARG HG2 . . . 10 . QD . . . . . 14 . QG . . c30382_6bvx 1 52 2 OR . 1 1 14 14 ARG HG3 H . . . 1 1 10 10 PHE QD H . . . . . 5.11 0.0 5.11 . . . . . A . 14 ARG HG3 . . A . 10 PHE QD . . . 14 . QG . . . . . 10 . QD . . c30382_6bvx 1 53 1 OR . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HB2 H . . . . . 3.67 0.0 3.67 . . . . . A . 2 THR H . . A . 1 CYS HB2 . . . 2 . HN . . . . . 1 . QB . . c30382_6bvx 1 53 2 OR . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HB3 H . . . . . 3.67 0.0 3.67 . . . . . A . 2 THR H . . A . 1 CYS HB3 . . . 2 . HN . . . . . 1 . QB . . c30382_6bvx 1 54 1 OR . 1 1 3 3 HIS H H . . . 1 1 3 3 HIS HB2 H . . . . . 3.65 0.0 3.65 . . . . . A . 3 HIS H . . A . 3 HIS HB2 . . . 3 . HN . . . . . 3 . QB . . c30382_6bvx 1 54 2 OR . 1 1 3 3 HIS H H . . . 1 1 3 3 HIS HB3 H . . . . . 3.65 0.0 3.65 . . . . . A . 3 HIS H . . A . 3 HIS HB3 . . . 3 . HN . . . . . 3 . QB . . c30382_6bvx 1 55 1 OR . 1 1 5 5 MMO HA H . . . 1 1 7 7 PRO HD2 H . . . . . 4.19 0.0 4.19 . . . . . A . 5 MMO HA . . A . 7 PRO HD2 . . . 5 . HA . . . . . 7 . QD . . c30382_6bvx 1 55 2 OR . 1 1 5 5 MMO HA H . . . 1 1 7 7 PRO HD3 H . . . . . 4.19 0.0 4.19 . . . . . A . 5 MMO HA . . A . 7 PRO HD3 . . . 5 . HA . . . . . 7 . QD . . c30382_6bvx 1 56 1 OR . 1 1 6 6 TRP H H . . . 1 1 7 7 PRO HD2 H . . . . . 3.45 0.0 3.45 . . . . . A . 6 TRP H . . A . 7 PRO HD2 . . . 6 . HN . . . . . 7 . QD . . c30382_6bvx 1 56 2 OR . 1 1 6 6 TRP H H . . . 1 1 7 7 PRO HD3 H . . . . . 3.45 0.0 3.45 . . . . . A . 6 TRP H . . A . 7 PRO HD3 . . . 6 . HN . . . . . 7 . QD . . c30382_6bvx 1 57 1 OR . 1 1 6 6 TRP HA H . . . 1 1 7 7 PRO HD2 H . . . . . 3.24 0.0 3.24 . . . . . A . 6 TRP HA . . A . 7 PRO HD2 . . . 6 . HA . . . . . 7 . QD . . c30382_6bvx 1 57 2 OR . 1 1 6 6 TRP HA H . . . 1 1 7 7 PRO HD3 H . . . . . 3.24 0.0 3.24 . . . . . A . 6 TRP HA . . A . 7 PRO HD3 . . . 6 . HA . . . . . 7 . QD . . c30382_6bvx 1 58 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB2 H . . . . . 3.55 0.0 3.55 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB2 . . . 6 . HE3 . . . . . 6 . QB . . c30382_6bvx 1 58 2 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB3 H . . . . . 3.55 0.0 3.55 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB3 . . . 6 . HE3 . . . . . 6 . QB . . c30382_6bvx 1 59 1 OR . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG13 H . . . . . 4.26 0.0 4.26 . . . . . A . 8 ILE H . . A . 8 ILE HG13 . . . 8 . HN . . . . . 8 . QG1 . . c30382_6bvx 1 59 2 OR . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG12 H . . . . . 4.26 0.0 4.26 . . . . . A . 8 ILE H . . A . 8 ILE HG12 . . . 8 . HN . . . . . 8 . QG1 . . c30382_6bvx 1 60 1 OR . 1 1 8 8 ILE MG H . . . 1 1 8 8 ILE HG13 H . . . . . 2.91 0.0 2.91 . . . . . A . 8 ILE MG . . A . 8 ILE HG13 . . . 8 . QG2 . . . . . 8 . QG1 . . c30382_6bvx 1 60 2 OR . 1 1 8 8 ILE MG H . . . 1 1 8 8 ILE HG12 H . . . . . 2.91 0.0 2.91 . . . . . A . 8 ILE MG . . A . 8 ILE HG12 . . . 8 . QG2 . . . . . 8 . QG1 . . c30382_6bvx 1 61 1 OR . 1 1 9 9 CYS H H . . . 1 1 8 8 ILE HG13 H . . . . . 4.67 0.0 4.67 . . . . . A . 9 CYS H . . A . 8 ILE HG13 . . . 9 . HN . . . . . 8 . QG1 . . c30382_6bvx 1 61 2 OR . 1 1 9 9 CYS H H . . . 1 1 8 8 ILE HG12 H . . . . . 4.67 0.0 4.67 . . . . . A . 9 CYS H . . A . 8 ILE HG12 . . . 9 . HN . . . . . 8 . QG1 . . c30382_6bvx 1 62 1 OR . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 3.37 0.0 3.37 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . QB . . c30382_6bvx 1 62 2 OR . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.37 0.0 3.37 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . QB . . c30382_6bvx 1 63 1 OR . 1 1 10 10 PHE H H . . . 1 1 9 9 CYS HB3 H . . . . . 3.66 0.0 3.66 . . . . . A . 10 PHE H . . A . 9 CYS HB3 . . . 10 . HN . . . . . 9 . QB . . c30382_6bvx 1 63 2 OR . 1 1 10 10 PHE H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.66 0.0 3.66 . . . . . A . 10 PHE H . . A . 9 CYS HB2 . . . 10 . HN . . . . . 9 . QB . . c30382_6bvx 1 64 1 OR . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE HB2 H . . . . . 3.17 0.0 3.17 . . . . . A . 10 PHE H . . A . 10 PHE HB2 . . . 10 . HN . . . . . 10 . QB . . c30382_6bvx 1 64 2 OR . 1 1 10 10 PHE H H . . . 1 1 10 10 PHE HB3 H . . . . . 3.17 0.0 3.17 . . . . . A . 10 PHE H . . A . 10 PHE HB3 . . . 10 . HN . . . . . 10 . QB . . c30382_6bvx 1 65 1 OR . 1 1 10 10 PHE HB3 H . . . 1 1 11 11 PRO HD2 H . . . . . 3.23 0.0 3.23 . . . . . A . 10 PHE HB3 . . A . 11 PRO HD2 . . . 10 . QB . . . . . 11 . QD . . c30382_6bvx 1 65 2 OR . 1 1 10 10 PHE HB2 H . . . 1 1 11 11 PRO HD2 H . . . . . 3.23 0.0 3.23 . . . . . A . 10 PHE HB2 . . A . 11 PRO HD2 . . . 10 . QB . . . . . 11 . QD . . c30382_6bvx 1 65 3 OR . 1 1 11 11 PRO HD3 H . . . 1 1 10 10 PHE HB2 H . . . . . 3.23 0.0 3.23 . . . . . A . 11 PRO HD3 . . A . 10 PHE HB2 . . . 11 . QD . . . . . 10 . QB . . c30382_6bvx 1 65 4 OR . 1 1 11 11 PRO HD3 H . . . 1 1 10 10 PHE HB3 H . . . . . 3.23 0.0 3.23 . . . . . A . 11 PRO HD3 . . A . 10 PHE HB3 . . . 11 . QD . . . . . 10 . QB . . c30382_6bvx 1 66 1 OR . 1 1 12 12 ASP H H . . . 1 1 10 10 PHE HB2 H . . . . . 3.51 0.0 3.51 . . . . . A . 12 ASP H . . A . 10 PHE HB2 . . . 12 . HN . . . . . 10 . QB . . c30382_6bvx 1 66 2 OR . 1 1 12 12 ASP H H . . . 1 1 10 10 PHE HB3 H . . . . . 3.51 0.0 3.51 . . . . . A . 12 ASP H . . A . 10 PHE HB3 . . . 12 . HN . . . . . 10 . QB . . c30382_6bvx 1 67 1 OR . 1 1 10 10 PHE QD H . . . 1 1 14 14 ARG HB2 H . . . . . 4.04 0.0 4.04 . . . . . A . 10 PHE QD . . A . 14 ARG HB2 . . . 10 . QD . . . . . 14 . QB . . c30382_6bvx 1 67 2 OR . 1 1 10 10 PHE QD H . . . 1 1 14 14 ARG HB3 H . . . . . 4.04 0.0 4.04 . . . . . A . 10 PHE QD . . A . 14 ARG HB3 . . . 10 . QD . . . . . 14 . QB . . c30382_6bvx 1 68 1 OR . 1 1 12 12 ASP H H . . . 1 1 11 11 PRO HB2 H . . . . . 3.93 0.0 3.93 . . . . . A . 12 ASP H . . A . 11 PRO HB2 . . . 12 . HN . . . . . 11 . QB . . c30382_6bvx 1 68 2 OR . 1 1 12 12 ASP H H . . . 1 1 11 11 PRO HB3 H . . . . . 3.93 0.0 3.93 . . . . . A . 12 ASP H . . A . 11 PRO HB3 . . . 12 . HN . . . . . 11 . QB . . c30382_6bvx 1 69 1 OR . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB2 H . . . . . 3.43 0.0 3.43 . . . . . A . 12 ASP H . . A . 12 ASP HB2 . . . 12 . HN . . . . . 12 . QB . . c30382_6bvx 1 69 2 OR . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB3 H . . . . . 3.43 0.0 3.43 . . . . . A . 12 ASP H . . A . 12 ASP HB3 . . . 12 . HN . . . . . 12 . QB . . c30382_6bvx 1 70 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 3.24 0.0 3.24 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . QB . . c30382_6bvx 1 70 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB3 H . . . . . 3.24 0.0 3.24 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . QB . . c30382_6bvx 1 71 1 OR . 1 1 14 14 ARG HE H . . . 1 1 14 14 ARG HB2 H . . . . . 4.45 0.0 4.45 . . . . . A . 14 ARG HE . . A . 14 ARG HB2 . . . 14 . HE . . . . . 14 . QB . . c30382_6bvx 1 71 2 OR . 1 1 14 14 ARG HB3 H . . . 1 1 14 14 ARG HE H . . . . . 4.45 0.0 4.45 . . . . . A . 14 ARG HB3 . . A . 14 ARG HE . . . 14 . QB . . . . . 14 . HE . . c30382_6bvx 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 1: restraints.tbl' 1 1 1 35 c30382_6bvx 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 'Distance restraints' 2 1 2 21 c30382_6bvx 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 5 1 "Not handling restraint 5, item 1, resonance(s) ' .5.HE' (nmrStar names) not linked" c30382_6bvx 1 2 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .5.HE' (nmrStar names),' .5.HB2' (nmrStar names) not linked" c30382_6bvx 1 3 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .5.HE' (nmrStar names),' .5.HB1' (nmrStar names) not linked" c30382_6bvx 1 4 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" c30382_6bvx 1 5 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QB' (nmrStar names) not linked" c30382_6bvx 1 6 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" c30382_6bvx 1 7 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .5.QD' (nmrStar names) not linked" c30382_6bvx 1 8 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .5.HB1' (nmrStar names),' .5.QD' (nmrStar names) not linked" c30382_6bvx 1 9 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 10 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 11 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 12 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QD' (nmrStar names) not linked" c30382_6bvx 1 13 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 14 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 15 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 16 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 17 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" c30382_6bvx 1 18 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .5.HB1' (nmrStar names) not linked" c30382_6bvx 1 19 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 20 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .4.QD' (nmrStar names),' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 21 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 22 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .4.HA' (nmrStar names),' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 23 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .5.HB2' (nmrStar names),' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 24 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .5.HB1' (nmrStar names),' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 25 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .5.QG' (nmrStar names),' .5.QN' (nmrStar names) not linked" c30382_6bvx 1 26 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 27 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 28 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 29 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30382_6bvx 1 30 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30382_6bvx 1 31 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c30382_6bvx 1 32 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .5.QN' (nmrStar names),' .5.QB' (nmrStar names) not linked" c30382_6bvx 1 33 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .5.HE' (nmrStar names),' .5.QB' (nmrStar names) not linked" c30382_6bvx 1 34 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .5.QB' (nmrStar names) not linked" c30382_6bvx 1 35 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .5.QB' (nmrStar names) not linked" c30382_6bvx 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c30382_6bvx _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 4 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 . . . . c30382_6bvx 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 2 2 THR H H . . . 1 1 8 8 ILE O O . . . . . 2.3 0.0 2.3 . . . . . A . 2 THR H . . A . 8 ILE O . . . 2 . HN . . . . . 8 . O . . c30382_6bvx 2 2 1 . . 1 1 8 8 ILE O O . . . 1 1 2 2 THR N N . . . . . 3.3 0.0 3.3 . . . . . A . 8 ILE O . . A . 2 THR N . . . 8 . O . . . . . 2 . N . . c30382_6bvx 2 3 1 . . 1 1 10 10 PHE H H . . . 1 1 14 14 ARG O O . . . . . 2.3 0.0 2.3 . . . . . A . 10 PHE H . . A . 14 ARG O . . . 10 . HN . . . . . 14 . O . . c30382_6bvx 2 4 1 . . 1 1 14 14 ARG O O . . . 1 1 10 10 PHE N N . . . . . 3.3 0.0 3.3 . . . . . A . 14 ARG O . . A . 10 PHE N . . . 14 . O . . . . . 10 . N . . c30382_6bvx 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 Hbonds 1 1 1 8 c30382_6bvx 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c30382_6bvx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c30382_6bvx 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 . . 1 1 8 8 ILE C C . . 1 1 9 9 CYS N N . . 1 1 9 9 CYS CA C . . 1 1 9 9 CYS C C . -135.0 -75.0 . . . A . 8 ILE C . . A . 9 CYS N . . A . 9 CYS CA . . A . 9 CYS C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c30382_6bvx 1 2 . . 1 1 9 9 CYS C C . . 1 1 10 10 PHE N N . . 1 1 10 10 PHE CA C . . 1 1 10 10 PHE C C . -150.0 -90.0 . . . A . 9 CYS C . . A . 10 PHE N . . A . 10 PHE CA . . A . 10 PHE C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . c30382_6bvx 1 3 . . 1 1 1 1 CYS C C . . 1 1 2 2 THR N N . . 1 1 2 2 THR CA C . . 1 1 2 2 THR C C . -150.0 -90.0 . . . A . 1 CYS C . . A . 2 THR N . . A . 2 THR CA . . A . 2 THR C . . . 1 . C . . . . . 2 . N . . . . . 2 . CA . . . . . 2 . C . . c30382_6bvx 1 4 . . 1 1 7 7 PRO C C . . 1 1 8 8 ILE N N . . 1 1 8 8 ILE CA C . . 1 1 8 8 ILE C C . -150.0 -90.0 . . . A . 7 PRO C . . A . 8 ILE N . . A . 8 ILE CA . . A . 8 ILE C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c30382_6bvx 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 'Dihedral restraints' 1 1 1 21 c30382_6bvx 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 c30382_6bvx _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 BIOSYNTHETIC PROTEIN 14-DEC-17 6BVX *TITLE SFTI-HFRW-2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; *SOURCE 4 ORGANISM_COMMON: COMMON SUNFLOWER; *SOURCE 5 ORGANISM_TAXID: 4232 *KEYWDS MELANOCORTIN, PHARMACOPHORE, CYCLIC PEPTIDE, SFTI, BIOSYNTHETIC *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR C.I.SCHROEDER *REVDAT 1 19-DEC-18 6BVX 0' save_