data_c30381_6bvw ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30381_6bvw _Entry.Title ; SFTI-HFRW-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-14 _Entry.Accession_date 2017-12-14 _Entry.Last_release_date 2018-01-18 _Entry.Original_release_date 2018-01-18 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' c30381_6bvw stop_ 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. . . c30381_6bvw stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . c30381_6bvw 'cyclic peptide' . c30381_6bvw melanocortin . c30381_6bvw pharmacophore . c30381_6bvw stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30381_6bvw spectral_peak_list 1 c30381_6bvw stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 41 c30381_6bvw '15N chemical shifts' 14 c30381_6bvw '1H chemical shifts' 95 c30381_6bvw 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 . c30381_6bvw stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BVW . c30381_6bvw stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30381_6bvw _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. . . . c30381_6bvw 1 2 Philipp Cromm P. M. . . c30381_6bvw 1 3 Andrew White A. M. . . c30381_6bvw 1 4 Christina Schroeder C. I. . . c30381_6bvw 1 5 Quentin Kaas Q. . . . c30381_6bvw 1 6 Joachim Weidmann J. . . . c30381_6bvw 1 7 Abdullah 'Ahmad Fuaad' A. . . . c30381_6bvw 1 8 Olivier Cheneval O. . . . c30381_6bvw 1 9 Peta Harvey P. J. . . c30381_6bvw 1 10 Norelle Daly N. L. . . c30381_6bvw 1 11 Yang Zhou Y. . . . c30381_6bvw 1 12 Anita Dellsen A. . . . c30381_6bvw 1 13 Torben Osterlund T. . . . c30381_6bvw 1 14 Niklas Larsson N. . . . c30381_6bvw 1 15 Laurent Knerr L. . . . c30381_6bvw 1 16 Udo Bauer U. . . . c30381_6bvw 1 17 Horst Kessler H. . . . c30381_6bvw 1 18 Minying Cai M. . . . c30381_6bvw 1 19 Victor Hruby V. J. . . c30381_6bvw 1 20 Alleyn Plowright A. T. . . c30381_6bvw 1 21 David Craik D. J. . . c30381_6bvw 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30381_6bvw _Assembly.ID 1 _Assembly.Name 'Trypsin inhibitor 1 HFRW-3' _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 . . . . . . c30381_6bvw 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30381_6bvw _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 ; CTASIPPICHXXXR ; _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 1717.069 _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 . c30381_6bvw 1 2 . THR . c30381_6bvw 1 3 . ALA . c30381_6bvw 1 4 . SER . c30381_6bvw 1 5 . ILE . c30381_6bvw 1 6 . PRO . c30381_6bvw 1 7 . PRO . c30381_6bvw 1 8 . ILE . c30381_6bvw 1 9 . CYS . c30381_6bvw 1 10 . HIS . c30381_6bvw 1 11 . DPN . c30381_6bvw 1 12 . MMO . c30381_6bvw 1 13 . E9M . c30381_6bvw 1 14 . ARG . c30381_6bvw 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 c30381_6bvw 1 . THR 2 2 c30381_6bvw 1 . ALA 3 3 c30381_6bvw 1 . SER 4 4 c30381_6bvw 1 . ILE 5 5 c30381_6bvw 1 . PRO 6 6 c30381_6bvw 1 . PRO 7 7 c30381_6bvw 1 . ILE 8 8 c30381_6bvw 1 . CYS 9 9 c30381_6bvw 1 . HIS 10 10 c30381_6bvw 1 . DPN 11 11 c30381_6bvw 1 . MMO 12 12 c30381_6bvw 1 . E9M 13 13 c30381_6bvw 1 . ARG 14 14 c30381_6bvw 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 c30381_6bvw _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 . . . . . . . . . . . . . c30381_6bvw 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 c30381_6bvw _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' . . . . . . . . . . . . . . . . c30381_6bvw 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_E9M _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_E9M _Chem_comp.Entry_ID c30381_6bvw _Chem_comp.ID E9M _Chem_comp.Provenance PDB _Chem_comp.Name N-methyl-L-tryptophan _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code E9M _Chem_comp.PDB_code E9M _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2017-12-14 _Chem_comp.Modified_date 2017-12-14 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code E9M _Chem_comp.Number_atoms_all 30 _Chem_comp.Number_atoms_nh 16 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/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 TRP _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 'C12 H14 N2 O2' _Chem_comp.Formula_weight 218.252 _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 6BVW _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNC(Cc1c[nH]c2c1cccc2)C(=O)O SMILES 'OpenEye OEToolkits' 2.0.6 c30381_6bvw E9M CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.6 c30381_6bvw E9M CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O SMILES_CANONICAL CACTVS 3.385 c30381_6bvw E9M CN[CH](Cc1c[nH]c2ccccc12)C(O)=O SMILES CACTVS 3.385 c30381_6bvw E9M CZCIKBSVHDNIDH-NSHDSACASA-N InChIKey InChI 1.03 c30381_6bvw E9M InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1 InChI InChI 1.03 c30381_6bvw E9M N(C)C(Cc1cnc2c1cccc2)C(=O)O SMILES ACDLabs 12.01 c30381_6bvw E9M 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 '(2~{S})-3-(1~{H}-indol-3-yl)-2-(methylamino)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.6 c30381_6bvw E9M N-methyl-L-tryptophan 'SYSTEMATIC NAME' ACDLabs 12.01 c30381_6bvw E9M 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 N1 . N . . N 0 . . . 1 no no . . . . -4.254 . -3.072 . 3.441 . -1.332 1.190 -0.523 1 . c30381_6bvw E9M CA CA CA C1 . C . . S 0 . . . 1 no no . . . . -3.260 . -2.168 . 2.873 . -1.864 -0.147 -0.230 2 . c30381_6bvw E9M CG CG CG C2 . C . . N 0 . . . 1 yes no . . . . -3.958 . -0.716 . 4.823 . 0.370 -1.046 0.357 3 . c30381_6bvw E9M CD1 CD1 CD1 C3 . C . . N 0 . . . 1 yes no . . . . -4.434 . -1.417 . 5.895 . 0.830 -2.180 -0.196 4 . c30381_6bvw E9M CD2 CD2 CD2 C4 . C . . N 0 . . . 1 yes no . . . . -4.738 . 0.483 . 4.747 . 1.481 -0.091 0.363 5 . c30381_6bvw E9M CE2 CE2 CE2 C5 . C . . N 0 . . . 1 yes no . . . . -5.666 . 0.443 . 5.805 . 2.573 -0.762 -0.217 6 . c30381_6bvw E9M C C C C6 . C . . N 0 . . . 1 no no . . . . -2.036 . -2.941 . 2.392 . -3.294 -0.028 0.232 7 . c30381_6bvw E9M O O O O1 . O . . N 0 . . . 1 no no . . . . -1.277 . -3.483 . 3.197 . -3.677 0.992 0.754 8 . c30381_6bvw E9M CB CB CB C7 . C . . N 0 . . . 1 no no . . . . -2.844 . -1.121 . 3.905 . -1.025 -0.801 0.869 9 . c30381_6bvw E9M CE3 CE3 CE3 C8 . C . . N 0 . . . 1 yes no . . . . -4.739 . 1.587 . 3.890 . 1.625 1.228 0.798 10 . c30381_6bvw E9M NE1 NE1 NE1 N2 . N . . N 0 . . . 1 yes no . . . . -5.461 . -0.726 . 6.490 . 2.145 -2.029 -0.545 11 . c30381_6bvw E9M CZ3 CZ3 CZ3 C9 . C . . N 0 . . . 1 yes no . . . . -5.654 . 2.599 . 4.112 . 2.828 1.861 0.658 12 . c30381_6bvw E9M CZ2 CZ2 CZ2 C10 . C . . N 0 . . . 1 yes no . . . . -6.587 . 1.464 . 6.027 . 3.789 -0.098 -0.349 13 . c30381_6bvw E9M CH2 CH2 CH2 C11 . C . . N 0 . . . 1 yes no . . . . -6.566 . 2.533 . 5.172 . 3.909 1.203 0.086 14 . c30381_6bvw E9M CN2 CN2 CN2 C12 . C . . N 0 . . . 1 no no . . . . -3.809 . -4.218 . 4.243 . -1.731 1.634 -1.866 15 . c30381_6bvw E9M OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . -2.143 . -3.432 . 1.120 . -4.141 -1.056 0.064 16 . c30381_6bvw E9M H H H H1 . H . . N 0 . . . 1 no no . . . . -4.849 . -2.521 . 4.026 . -1.620 1.856 0.178 17 . c30381_6bvw E9M HA HA HA H3 . H . . N 0 . . . 1 no no . . . . -3.699 . -1.646 . 2.010 . -1.824 -0.760 -1.131 18 . c30381_6bvw E9M HD1 HD1 HD1 H4 . H . . N 0 . . . 0 no no . . . . -4.058 . -2.374 . 6.226 . 0.249 -3.078 -0.343 19 . c30381_6bvw E9M HB3 HB3 HB3 H5 . H . . N 0 . . . 0 no no . . . . -2.025 . -1.535 . 4.512 . -0.984 -0.140 1.735 20 . c30381_6bvw E9M HB2 HB2 HB2 H6 . H . . N 0 . . . 0 no no . . . . -2.489 . -0.227 . 3.371 . -1.479 -1.749 1.157 21 . c30381_6bvw E9M HE3 HE3 HE3 H7 . H . . N 0 . . . 0 no no . . . . -4.039 . 1.648 . 3.070 . 0.789 1.746 1.243 22 . c30381_6bvw E9M HE1 HE1 HE1 H8 . H . . N 0 . . . 0 no no . . . . -5.976 . -1.027 . 7.293 . 2.693 -2.712 -0.961 23 . c30381_6bvw E9M HZ3 HZ3 HZ3 H9 . H . . N 0 . . . 0 no no . . . . -5.666 . 3.456 . 3.456 . 2.939 2.881 0.995 24 . c30381_6bvw E9M HZ2 HZ2 HZ2 H10 . H . . N 0 . . . 0 no no . . . . -7.292 . 1.414 . 6.844 . 4.636 -0.601 -0.792 25 . c30381_6bvw E9M HH2 HH2 HH2 H11 . H . . N 0 . . . 0 no no . . . . -7.267 . 3.341 . 5.318 . 4.853 1.717 -0.018 26 . c30381_6bvw E9M 3HN 3HN 3HN H12 . H . . N 0 . . . 0 no no . . . . -4.685 . -4.787 . 4.588 . -1.397 2.659 -2.024 27 . c30381_6bvw E9M H1 H1 H1 H13 . H . . N 0 . . . 1 no no . . . . -3.168 . -4.868 . 3.629 . -1.276 0.984 -2.613 28 . c30381_6bvw E9M 2HN 2HN 2HN H14 . H . . N 0 . . . 0 no no . . . . -3.240 . -3.858 . 5.113 . -2.816 1.587 -1.956 29 . c30381_6bvw E9M HXT HXT HXT H15 . H . . N 0 . . . 1 no no . . . . -1.572 . -4.185 . 1.022 . -5.048 -0.932 0.376 30 . c30381_6bvw E9M stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C CA no N 1 . c30381_6bvw E9M 2 . DOUB C O no N 2 . c30381_6bvw E9M 3 . SING CA N no N 3 . c30381_6bvw E9M 4 . SING CA CB no N 4 . c30381_6bvw E9M 5 . SING N CN2 no N 5 . c30381_6bvw E9M 6 . DOUB CE3 CZ3 yes N 6 . c30381_6bvw E9M 7 . SING CE3 CD2 yes N 7 . c30381_6bvw E9M 8 . SING CB CG no N 8 . c30381_6bvw E9M 9 . SING CZ3 CH2 yes N 9 . c30381_6bvw E9M 10 . SING CD2 CG yes N 10 . c30381_6bvw E9M 11 . DOUB CD2 CE2 yes N 11 . c30381_6bvw E9M 12 . DOUB CG CD1 yes N 12 . c30381_6bvw E9M 13 . DOUB CH2 CZ2 yes N 13 . c30381_6bvw E9M 14 . SING CE2 CZ2 yes N 14 . c30381_6bvw E9M 15 . SING CE2 NE1 yes N 15 . c30381_6bvw E9M 16 . SING CD1 NE1 yes N 16 . c30381_6bvw E9M 17 . SING C OXT no N 17 . c30381_6bvw E9M 18 . SING N H no N 18 . c30381_6bvw E9M 19 . SING CA HA no N 19 . c30381_6bvw E9M 20 . SING CD1 HD1 no N 20 . c30381_6bvw E9M 21 . SING CB HB3 no N 21 . c30381_6bvw E9M 22 . SING CB HB2 no N 22 . c30381_6bvw E9M 23 . SING CE3 HE3 no N 23 . c30381_6bvw E9M 24 . SING NE1 HE1 no N 24 . c30381_6bvw E9M 25 . SING CZ3 HZ3 no N 25 . c30381_6bvw E9M 26 . SING CZ2 HZ2 no N 26 . c30381_6bvw E9M 27 . SING CH2 HH2 no N 27 . c30381_6bvw E9M 28 . SING CN2 3HN no N 28 . c30381_6bvw E9M 29 . SING CN2 H1 no N 29 . c30381_6bvw E9M 30 . SING CN2 2HN no N 30 . c30381_6bvw E9M 31 . SING OXT HXT no N 31 . c30381_6bvw E9M stop_ save_ save_chem_comp_MMO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MMO _Chem_comp.Entry_ID c30381_6bvw _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 c30381_6bvw MMO CN[C@@H](CCCNC(N)=N)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30381_6bvw MMO CN[CH](CCCNC(N)=N)C(O)=O SMILES CACTVS 3.370 c30381_6bvw 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 c30381_6bvw MMO NTWVQPHTOUKMDI-YFKPBYRVSA-N InChIKey InChI 1.03 c30381_6bvw MMO O=C(O)C(NC)CCCNC(=[N@H])N SMILES ACDLabs 12.01 c30381_6bvw MMO [H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30381_6bvw 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 c30381_6bvw MMO N~2~-methyl-L-arginine 'SYSTEMATIC NAME' ACDLabs 12.01 c30381_6bvw 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 . c30381_6bvw MMO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 14.461 . -11.725 . 16.444 . 2.018 -0.169 -0.287 2 . c30381_6bvw MMO C C C C . C . . N 0 . . . 1 no no . . . . 14.731 . -10.762 . 17.610 . 3.190 0.744 -0.037 3 . c30381_6bvw MMO O O O O . O . . N 0 . . . 1 no no . . . . 15.622 . -9.910 . 17.535 . 3.780 0.697 1.016 4 . c30381_6bvw MMO CB CB CB CB . C . . N 0 . . . 1 no no . . . . 15.600 . -11.697 . 15.361 . 0.721 0.550 0.088 5 . c30381_6bvw MMO CG CG CG CG . C . . N 0 . . . 1 no no . . . . 15.302 . -12.698 . 14.211 . -0.475 -0.329 -0.282 6 . c30381_6bvw MMO CD CD CD CD . C . . N 0 . . . 1 no no . . . . 16.434 . -12.730 . 13.160 . -1.772 0.391 0.093 7 . c30381_6bvw MMO NE NE NE NE . N . . N 0 . . . 1 no no . . . . 16.663 . -11.409 . 12.544 . -2.918 -0.451 -0.261 8 . c30381_6bvw MMO CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 17.663 . -11.179 . 11.711 . -4.196 -0.010 -0.016 9 . c30381_6bvw MMO NH2 NH2 NH2 NH2 . N . . N 0 . . . 1 no no . . . . 18.536 . -12.110 . 11.361 . -4.400 1.221 0.561 10 . c30381_6bvw MMO NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 17.800 . -9.951 . 11.183 . -5.216 -0.759 -0.331 11 . c30381_6bvw MMO CN CN CN CN . C . . N 0 . . . 1 no no . . . . 12.809 . -10.043 . 15.332 . 3.015 -2.371 -0.138 12 . c30381_6bvw MMO H2 H2 H2 H . H . . N 0 . . . 1 no yes . . . . 13.045 . -12.008 . 15.047 . 2.514 -1.159 1.449 13 . c30381_6bvw MMO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.446 . -12.750 . 16.843 . 1.990 -0.444 -1.342 14 . c30381_6bvw MMO HCB1 HCB1 HCB1 HCB1 . H . . N 0 . . . 0 no no . . . . 15.669 . -10.682 . 14.942 . 0.711 0.746 1.160 15 . c30381_6bvw MMO HCB2 HCB2 HCB2 HCB2 . H . . N 0 . . . 0 no no . . . . 16.552 . -11.973 . 15.837 . 0.660 1.494 -0.454 16 . c30381_6bvw MMO HCG1 HCG1 HCG1 HCG1 . H . . N 0 . . . 0 no no . . . . 15.194 . -13.705 . 14.641 . -0.465 -0.525 -1.354 17 . c30381_6bvw MMO HCG2 HCG2 HCG2 HCG2 . H . . N 0 . . . 0 no no . . . . 14.370 . -12.393 . 13.713 . -0.413 -1.273 0.260 18 . c30381_6bvw MMO HCD1 HCD1 HCD1 HCD1 . H . . N 0 . . . 0 no no . . . . 17.362 . -13.051 . 13.655 . -1.782 0.586 1.165 19 . c30381_6bvw MMO HCD2 HCD2 HCD2 HCD2 . H . . N 0 . . . 0 no no . . . . 16.157 . -13.442 . 12.369 . -1.834 1.334 -0.449 20 . c30381_6bvw MMO HH21 HH21 HH21 HH21 . H . . N 0 . . . 0 no no . . . . 19.272 . -11.890 . 10.720 . -3.642 1.778 0.795 21 . c30381_6bvw MMO HH22 HH22 HH22 HH22 . H . . N 0 . . . 0 no no . . . . 18.460 . -13.033 . 11.737 . -5.303 1.532 0.734 22 . c30381_6bvw MMO HH11 HH11 HH11 HH11 . H . . N 0 . . . 0 no no . . . . 18.582 . -9.895 . 10.563 . -6.118 -0.448 -0.158 23 . c30381_6bvw MMO HC1 HC1 HC1 HC1 . H . . N 0 . . . 1 no no . . . . 11.785 . -10.035 . 14.931 . 3.092 -3.264 0.483 24 . c30381_6bvw MMO HC2 HC2 HC2 HC2 . H . . N 0 . . . 1 no no . . . . 12.886 . -9.318 . 16.155 . 2.581 -2.635 -1.102 25 . c30381_6bvw MMO HC3 HC3 HC3 HC3 . H . . N 0 . . . 1 no no . . . . 13.516 . -9.770 . 14.535 . 4.008 -1.949 -0.290 26 . c30381_6bvw MMO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 14.093 . -10.648 . 18.885 . 3.579 1.612 -0.985 27 . c30381_6bvw MMO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 14.498 . -9.946 . 19.381 . 4.336 2.177 -0.779 28 . c30381_6bvw MMO HE HE HE HE . H . . N 0 . . . 1 no no . . . . 16.038 . -10.660 . 12.765 . -2.774 -1.320 -0.668 29 . c30381_6bvw 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 . c30381_6bvw MMO 2 . SING N CN no N 2 . c30381_6bvw MMO 3 . SING N H2 no N 3 . c30381_6bvw MMO 4 . SING CA C no N 4 . c30381_6bvw MMO 5 . SING CA CB no N 5 . c30381_6bvw MMO 6 . SING CA HA no N 6 . c30381_6bvw MMO 7 . DOUB C O no N 7 . c30381_6bvw MMO 8 . SING CB CG no N 8 . c30381_6bvw MMO 9 . SING CB HCB1 no N 9 . c30381_6bvw MMO 10 . SING CB HCB2 no N 10 . c30381_6bvw MMO 11 . SING CG CD no N 11 . c30381_6bvw MMO 12 . SING CG HCG1 no N 12 . c30381_6bvw MMO 13 . SING CG HCG2 no N 13 . c30381_6bvw MMO 14 . SING CD NE no N 14 . c30381_6bvw MMO 15 . SING CD HCD1 no N 15 . c30381_6bvw MMO 16 . SING CD HCD2 no N 16 . c30381_6bvw MMO 17 . SING NE CZ no N 17 . c30381_6bvw MMO 18 . SING CZ NH2 no N 18 . c30381_6bvw MMO 19 . DOUB CZ NH1 no N 19 . c30381_6bvw MMO 20 . SING NH2 HH21 no N 20 . c30381_6bvw MMO 21 . SING NH2 HH22 no N 21 . c30381_6bvw MMO 22 . SING NH1 HH11 no N 22 . c30381_6bvw MMO 23 . SING CN HC1 no N 23 . c30381_6bvw MMO 24 . SING CN HC2 no N 24 . c30381_6bvw MMO 25 . SING CN HC3 no N 25 . c30381_6bvw MMO 26 . SING C OXT no N 26 . c30381_6bvw MMO 27 . SING OXT HXT no N 27 . c30381_6bvw MMO 28 . SING NE HE no N 28 . c30381_6bvw MMO stop_ save_ save_chem_comp_DPN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPN _Chem_comp.Entry_ID c30381_6bvw _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 c30381_6bvw 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 c30381_6bvw DPN N[C@H](Cc1ccccc1)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30381_6bvw DPN N[CH](Cc1ccccc1)C(O)=O SMILES CACTVS 3.370 c30381_6bvw DPN O=C(O)C(N)Cc1ccccc1 SMILES ACDLabs 12.01 c30381_6bvw DPN c1ccc(cc1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.6 c30381_6bvw DPN c1ccc(cc1)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c30381_6bvw 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 c30381_6bvw DPN D-phenylalanine 'SYSTEMATIC NAME' ACDLabs 12.01 c30381_6bvw 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 . c30381_6bvw DPN CA CA CA CA . C . . R 0 . . . 1 no no . . . . 34.648 . 5.692 . 10.509 . -1.289 0.054 0.411 2 . c30381_6bvw DPN C C C C . C . . N 0 . . . 1 no no . . . . 33.882 . 7.017 . 10.467 . -2.740 -0.147 0.057 3 . c30381_6bvw DPN O O O O . O . . N 0 . . . 1 no no . . . . 33.561 . 7.596 . 11.514 . -3.434 0.805 -0.213 4 . c30381_6bvw DPN OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 33.600 . 7.485 . 9.254 . -3.263 -1.383 0.041 5 . c30381_6bvw DPN CB CB CB CB . C . . N 0 . . . 1 no no . . . . 36.067 . 5.886 . 9.998 . -0.419 -0.257 -0.809 6 . c30381_6bvw DPN CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 36.930 . 6.703 . 10.909 . 1.035 -0.176 -0.422 7 . c30381_6bvw DPN CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 37.767 . 6.083 . 11.827 . 1.690 -1.300 0.042 8 . c30381_6bvw DPN CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 36.921 . 8.095 . 10.838 . 1.715 1.023 -0.537 9 . c30381_6bvw DPN CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 38.584 . 6.833 . 12.661 . 3.024 -1.226 0.397 10 . c30381_6bvw DPN CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 37.732 . 8.857 . 11.666 . 3.049 1.097 -0.183 11 . c30381_6bvw DPN CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 38.566 . 8.224 . 12.578 . 3.703 -0.027 0.287 12 . c30381_6bvw DPN H H H H . H . . N 0 . . . 1 no no . . . . 35.196 . 4.284 . 11.887 . -1.317 2.086 0.082 13 . c30381_6bvw DPN H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 35.149 . 5.801 . 12.489 . -1.589 1.658 1.666 14 . c30381_6bvw DPN HA HA HA HA . H . . N 0 . . . 1 no no . . . . 34.135 . 4.973 . 9.854 . -1.019 -0.614 1.229 15 . c30381_6bvw DPN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 33.129 . 8.306 . 9.333 . -4.198 -1.462 -0.192 16 . c30381_6bvw DPN HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . 36.530 . 4.896 . 9.877 . -0.644 -1.260 -1.170 17 . c30381_6bvw DPN HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . 36.018 . 6.390 . 9.022 . -0.627 0.468 -1.597 18 . c30381_6bvw DPN HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 37.782 . 5.005 . 11.893 . 1.160 -2.237 0.128 19 . c30381_6bvw DPN HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 36.273 . 8.587 . 10.128 . 1.204 1.900 -0.905 20 . c30381_6bvw DPN HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 39.231 . 6.341 . 13.372 . 3.536 -2.105 0.761 21 . c30381_6bvw DPN HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 37.715 . 9.935 . 11.602 . 3.581 2.033 -0.273 22 . c30381_6bvw DPN HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . 39.202 . 8.811 . 13.224 . 4.745 0.031 0.564 23 . c30381_6bvw 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 . c30381_6bvw DPN 2 . SING N H no N 2 . c30381_6bvw DPN 3 . SING N H2 no N 3 . c30381_6bvw DPN 4 . SING CA C no N 4 . c30381_6bvw DPN 5 . SING CA CB no N 5 . c30381_6bvw DPN 6 . SING CA HA no N 6 . c30381_6bvw DPN 7 . DOUB C O no N 7 . c30381_6bvw DPN 8 . SING C OXT no N 8 . c30381_6bvw DPN 9 . SING OXT HXT no N 9 . c30381_6bvw DPN 10 . SING CB CG no N 10 . c30381_6bvw DPN 11 . SING CB HB2 no N 11 . c30381_6bvw DPN 12 . SING CB HB3 no N 12 . c30381_6bvw DPN 13 . DOUB CG CD1 yes N 13 . c30381_6bvw DPN 14 . SING CG CD2 yes N 14 . c30381_6bvw DPN 15 . SING CD1 CE1 yes N 15 . c30381_6bvw DPN 16 . SING CD1 HD1 no N 16 . c30381_6bvw DPN 17 . DOUB CD2 CE2 yes N 17 . c30381_6bvw DPN 18 . SING CD2 HD2 no N 18 . c30381_6bvw DPN 19 . DOUB CE1 CZ yes N 19 . c30381_6bvw DPN 20 . SING CE1 HE1 no N 20 . c30381_6bvw DPN 21 . SING CE2 CZ yes N 21 . c30381_6bvw DPN 22 . SING CE2 HE2 no N 22 . c30381_6bvw DPN 23 . SING CZ HZ no N 23 . c30381_6bvw DPN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30381_6bvw _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM protein, 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 protein 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . c30381_6bvw 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 c30381_6bvw _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 c30381_6bvw 1 pressure 1 . Pa c30381_6bvw 1 temperature 298 . K c30381_6bvw 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30381_6bvw _Software.ID 1 _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 . . c30381_6bvw 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30381_6bvw 1 'chemical shift calculation' c30381_6bvw 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30381_6bvw _Software.ID 2 _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' . . c30381_6bvw 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' c30381_6bvw 2 refinement c30381_6bvw 2 'structure calculation' c30381_6bvw 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30381_6bvw _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' . . c30381_6bvw 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30381_6bvw 3 processing c30381_6bvw 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 c30381_6bvw _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 c30381_6bvw _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 . . . c30381_6bvw 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 c30381_6bvw _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 . . . . . . . . . . . . . . . . c30381_6bvw 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30381_6bvw 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30381_6bvw 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30381_6bvw 1 5 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30381_6bvw 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 c30381_6bvw _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 internal direct 1.0 . . . . . c30381_6bvw 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 c30381_6bvw _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' . . . c30381_6bvw 1 2 '2D 1H-1H NOESY' . . . c30381_6bvw 1 3 '2D 1H-13C HSQC' . . . c30381_6bvw 1 4 '2D 1H-15N HSQC' . . . c30381_6bvw 1 5 '2D 1H-1H COSY' . . . c30381_6bvw 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 8.457 0.005 . . . . . . A 1 CYS H1 . c30381_6bvw 1 2 . 1 1 1 1 CYS HA H 1 5.660 0.005 . . . . . . A 1 CYS HA . c30381_6bvw 1 3 . 1 1 1 1 CYS HB2 H 1 3.160 0.004 . . . . . . A 1 CYS HB2 . c30381_6bvw 1 4 . 1 1 1 1 CYS HB3 H 1 2.777 0.005 . . . . . . A 1 CYS HB3 . c30381_6bvw 1 5 . 1 1 1 1 CYS CA C 13 55.252 0.000 . . . . . . A 1 CYS CA . c30381_6bvw 1 6 . 1 1 1 1 CYS CB C 13 50.310 0.010 . . . . . . A 1 CYS CB . c30381_6bvw 1 7 . 1 1 1 1 CYS N N 15 123.964 0.000 . . . . . . A 1 CYS N . c30381_6bvw 1 8 . 1 1 2 2 THR H H 1 8.662 0.002 . . . . . . A 2 THR H . c30381_6bvw 1 9 . 1 1 2 2 THR HA H 1 4.329 0.004 . . . . . . A 2 THR HA . c30381_6bvw 1 10 . 1 1 2 2 THR HB H 1 4.450 0.004 . . . . . . A 2 THR HB . c30381_6bvw 1 11 . 1 1 2 2 THR HG21 H 1 1.316 0.004 . . . . . . A 2 THR HG21 . c30381_6bvw 1 12 . 1 1 2 2 THR HG22 H 1 1.316 0.004 . . . . . . A 2 THR HG22 . c30381_6bvw 1 13 . 1 1 2 2 THR HG23 H 1 1.316 0.004 . . . . . . A 2 THR HG23 . c30381_6bvw 1 14 . 1 1 2 2 THR CA C 13 61.552 0.000 . . . . . . A 2 THR CA . c30381_6bvw 1 15 . 1 1 2 2 THR CB C 13 70.718 0.000 . . . . . . A 2 THR CB . c30381_6bvw 1 16 . 1 1 2 2 THR CG2 C 13 22.156 0.000 . . . . . . A 2 THR CG2 . c30381_6bvw 1 17 . 1 1 2 2 THR N N 15 114.476 0.000 . . . . . . A 2 THR N . c30381_6bvw 1 18 . 1 1 3 3 ALA H H 1 8.441 0.002 . . . . . . A 3 ALA H . c30381_6bvw 1 19 . 1 1 3 3 ALA HA H 1 4.486 0.006 . . . . . . A 3 ALA HA . c30381_6bvw 1 20 . 1 1 3 3 ALA HB1 H 1 1.307 0.005 . . . . . . A 3 ALA HB1 . c30381_6bvw 1 21 . 1 1 3 3 ALA HB2 H 1 1.307 0.005 . . . . . . A 3 ALA HB2 . c30381_6bvw 1 22 . 1 1 3 3 ALA HB3 H 1 1.307 0.005 . . . . . . A 3 ALA HB3 . c30381_6bvw 1 23 . 1 1 3 3 ALA CA C 13 51.311 0.000 . . . . . . A 3 ALA CA . c30381_6bvw 1 24 . 1 1 3 3 ALA CB C 13 17.713 0.000 . . . . . . A 3 ALA CB . c30381_6bvw 1 25 . 1 1 3 3 ALA N N 15 123.664 0.000 . . . . . . A 3 ALA N . c30381_6bvw 1 26 . 1 1 4 4 SER H H 1 7.283 0.003 . . . . . . A 4 SER H . c30381_6bvw 1 27 . 1 1 4 4 SER HA H 1 4.286 0.012 . . . . . . A 4 SER HA . c30381_6bvw 1 28 . 1 1 4 4 SER HB2 H 1 3.820 0.003 . . . . . . A 4 SER HB2 . c30381_6bvw 1 29 . 1 1 4 4 SER HB3 H 1 3.684 0.010 . . . . . . A 4 SER HB3 . c30381_6bvw 1 30 . 1 1 4 4 SER CA C 13 57.402 0.000 . . . . . . A 4 SER CA . c30381_6bvw 1 31 . 1 1 4 4 SER CB C 13 65.359 0.045 . . . . . . A 4 SER CB . c30381_6bvw 1 32 . 1 1 4 4 SER N N 15 113.376 0.000 . . . . . . A 4 SER N . c30381_6bvw 1 33 . 1 1 5 5 ILE H H 1 8.169 0.003 . . . . . . A 5 ILE H . c30381_6bvw 1 34 . 1 1 5 5 ILE HA H 1 4.215 0.005 . . . . . . A 5 ILE HA . c30381_6bvw 1 35 . 1 1 5 5 ILE HB H 1 1.714 0.004 . . . . . . A 5 ILE HB . c30381_6bvw 1 36 . 1 1 5 5 ILE HG12 H 1 1.362 0.005 . . . . . . A 5 ILE HG12 . c30381_6bvw 1 37 . 1 1 5 5 ILE HG13 H 1 0.964 0.004 . . . . . . A 5 ILE HG13 . c30381_6bvw 1 38 . 1 1 5 5 ILE HG21 H 1 0.773 0.000 . . . . . . A 5 ILE HG21 . c30381_6bvw 1 39 . 1 1 5 5 ILE HG22 H 1 0.773 0.000 . . . . . . A 5 ILE HG22 . c30381_6bvw 1 40 . 1 1 5 5 ILE HG23 H 1 0.773 0.000 . . . . . . A 5 ILE HG23 . c30381_6bvw 1 41 . 1 1 5 5 ILE HD11 H 1 0.750 0.004 . . . . . . A 5 ILE HD11 . c30381_6bvw 1 42 . 1 1 5 5 ILE HD12 H 1 0.750 0.004 . . . . . . A 5 ILE HD12 . c30381_6bvw 1 43 . 1 1 5 5 ILE HD13 H 1 0.750 0.004 . . . . . . A 5 ILE HD13 . c30381_6bvw 1 44 . 1 1 5 5 ILE CA C 13 57.760 0.000 . . . . . . A 5 ILE CA . c30381_6bvw 1 45 . 1 1 5 5 ILE CB C 13 39.434 0.000 . . . . . . A 5 ILE CB . c30381_6bvw 1 46 . 1 1 5 5 ILE CG1 C 13 26.932 0.017 . . . . . . A 5 ILE CG1 . c30381_6bvw 1 47 . 1 1 5 5 ILE CG2 C 13 16.997 0.000 . . . . . . A 5 ILE CG2 . c30381_6bvw 1 48 . 1 1 5 5 ILE CD1 C 13 12.625 0.000 . . . . . . A 5 ILE CD1 . c30381_6bvw 1 49 . 1 1 5 5 ILE N N 15 119.145 0.000 . . . . . . A 5 ILE N . c30381_6bvw 1 50 . 1 1 6 6 PRO HA H 1 5.012 0.005 . . . . . . A 6 PRO HA . c30381_6bvw 1 51 . 1 1 6 6 PRO HB2 H 1 2.371 0.005 . . . . . . A 6 PRO HB2 . c30381_6bvw 1 52 . 1 1 6 6 PRO HB3 H 1 1.951 0.005 . . . . . . A 6 PRO HB3 . c30381_6bvw 1 53 . 1 1 6 6 PRO HG2 H 1 1.875 0.002 . . . . . . A 6 PRO HG2 . c30381_6bvw 1 54 . 1 1 6 6 PRO HG3 H 1 1.766 0.007 . . . . . . A 6 PRO HG3 . c30381_6bvw 1 55 . 1 1 6 6 PRO HD2 H 1 3.537 0.004 . . . . . . A 6 PRO HD2 . c30381_6bvw 1 56 . 1 1 6 6 PRO HD3 H 1 3.438 0.004 . . . . . . A 6 PRO HD3 . c30381_6bvw 1 57 . 1 1 6 6 PRO CA C 13 62.209 0.000 . . . . . . A 6 PRO CA . c30381_6bvw 1 58 . 1 1 6 6 PRO CB C 13 33.019 0.012 . . . . . . A 6 PRO CB . c30381_6bvw 1 59 . 1 1 6 6 PRO CG C 13 24.711 0.000 . . . . . . A 6 PRO CG . c30381_6bvw 1 60 . 1 1 6 6 PRO CD C 13 49.892 0.015 . . . . . . A 6 PRO CD . c30381_6bvw 1 61 . 1 1 7 7 PRO HA H 1 4.130 0.006 . . . . . . A 7 PRO HA . c30381_6bvw 1 62 . 1 1 7 7 PRO HB2 H 1 2.353 0.005 . . . . . . A 7 PRO HB2 . c30381_6bvw 1 63 . 1 1 7 7 PRO HB3 H 1 1.727 0.005 . . . . . . A 7 PRO HB3 . c30381_6bvw 1 64 . 1 1 7 7 PRO HG2 H 1 2.014 0.005 . . . . . . A 7 PRO HG2 . c30381_6bvw 1 65 . 1 1 7 7 PRO HG3 H 1 2.014 0.005 . . . . . . A 7 PRO HG3 . c30381_6bvw 1 66 . 1 1 7 7 PRO HD2 H 1 3.719 0.006 . . . . . . A 7 PRO HD2 . c30381_6bvw 1 67 . 1 1 7 7 PRO HD3 H 1 3.611 0.006 . . . . . . A 7 PRO HD3 . c30381_6bvw 1 68 . 1 1 7 7 PRO CA C 13 63.313 0.000 . . . . . . A 7 PRO CA . c30381_6bvw 1 69 . 1 1 7 7 PRO CB C 13 32.640 0.012 . . . . . . A 7 PRO CB . c30381_6bvw 1 70 . 1 1 7 7 PRO CG C 13 27.109 0.000 . . . . . . A 7 PRO CG . c30381_6bvw 1 71 . 1 1 7 7 PRO CD C 13 50.639 0.015 . . . . . . A 7 PRO CD . c30381_6bvw 1 72 . 1 1 8 8 ILE H H 1 7.686 0.003 . . . . . . A 8 ILE H . c30381_6bvw 1 73 . 1 1 8 8 ILE HA H 1 4.218 0.003 . . . . . . A 8 ILE HA . c30381_6bvw 1 74 . 1 1 8 8 ILE HB H 1 1.812 0.003 . . . . . . A 8 ILE HB . c30381_6bvw 1 75 . 1 1 8 8 ILE HG12 H 1 1.355 0.013 . . . . . . A 8 ILE HG12 . c30381_6bvw 1 76 . 1 1 8 8 ILE HG13 H 1 1.053 0.003 . . . . . . A 8 ILE HG13 . c30381_6bvw 1 77 . 1 1 8 8 ILE HG21 H 1 0.667 0.004 . . . . . . A 8 ILE HG21 . c30381_6bvw 1 78 . 1 1 8 8 ILE HG22 H 1 0.667 0.004 . . . . . . A 8 ILE HG22 . c30381_6bvw 1 79 . 1 1 8 8 ILE HG23 H 1 0.667 0.004 . . . . . . A 8 ILE HG23 . c30381_6bvw 1 80 . 1 1 8 8 ILE HD11 H 1 0.715 0.012 . . . . . . A 8 ILE HD11 . c30381_6bvw 1 81 . 1 1 8 8 ILE HD12 H 1 0.715 0.012 . . . . . . A 8 ILE HD12 . c30381_6bvw 1 82 . 1 1 8 8 ILE HD13 H 1 0.715 0.012 . . . . . . A 8 ILE HD13 . c30381_6bvw 1 83 . 1 1 8 8 ILE CB C 13 38.094 0.000 . . . . . . A 8 ILE CB . c30381_6bvw 1 84 . 1 1 8 8 ILE CG1 C 13 26.801 0.008 . . . . . . A 8 ILE CG1 . c30381_6bvw 1 85 . 1 1 8 8 ILE CG2 C 13 17.104 0.000 . . . . . . A 8 ILE CG2 . c30381_6bvw 1 86 . 1 1 8 8 ILE CD1 C 13 11.945 0.000 . . . . . . A 8 ILE CD1 . c30381_6bvw 1 87 . 1 1 8 8 ILE N N 15 122.230 0.000 . . . . . . A 8 ILE N . c30381_6bvw 1 88 . 1 1 9 9 CYS H H 1 8.893 0.005 . . . . . . A 9 CYS H . c30381_6bvw 1 89 . 1 1 9 9 CYS HA H 1 5.303 0.006 . . . . . . A 9 CYS HA . c30381_6bvw 1 90 . 1 1 9 9 CYS HB2 H 1 2.539 0.005 . . . . . . A 9 CYS HB2 . c30381_6bvw 1 91 . 1 1 9 9 CYS HB3 H 1 2.336 0.005 . . . . . . A 9 CYS HB3 . c30381_6bvw 1 92 . 1 1 9 9 CYS CA C 13 55.461 0.000 . . . . . . A 9 CYS CA . c30381_6bvw 1 93 . 1 1 9 9 CYS CB C 13 46.876 0.000 . . . . . . A 9 CYS CB . c30381_6bvw 1 94 . 1 1 9 9 CYS N N 15 125.631 0.000 . . . . . . A 9 CYS N . c30381_6bvw 1 95 . 1 1 10 10 HIS H H 1 8.923 0.003 . . . . . . A 10 HIS H . c30381_6bvw 1 96 . 1 1 10 10 HIS HA H 1 4.787 0.007 . . . . . . A 10 HIS HA . c30381_6bvw 1 97 . 1 1 10 10 HIS HB2 H 1 3.303 0.005 . . . . . . A 10 HIS HB2 . c30381_6bvw 1 98 . 1 1 10 10 HIS HB3 H 1 2.883 0.008 . . . . . . A 10 HIS HB3 . c30381_6bvw 1 99 . 1 1 10 10 HIS HD2 H 1 7.030 0.004 . . . . . . A 10 HIS HD2 . c30381_6bvw 1 100 . 1 1 10 10 HIS HE1 H 1 8.448 0.000 . . . . . . A 10 HIS HE1 . c30381_6bvw 1 101 . 1 1 10 10 HIS CB C 13 29.988 0.010 . . . . . . A 10 HIS CB . c30381_6bvw 1 102 . 1 1 10 10 HIS N N 15 118.045 0.000 . . . . . . A 10 HIS N . c30381_6bvw 1 103 . 1 1 11 11 DPN H H 1 7.728 0.004 . . . . . . A 11 DPN H . c30381_6bvw 1 104 . 1 1 11 11 DPN N N 15 120.196 0.000 . . . . . . A 11 DPN N . c30381_6bvw 1 105 . 1 1 11 11 DPN CA C 13 54.476 0.000 . . . . . . A 11 DPN CA . c30381_6bvw 1 106 . 1 1 11 11 DPN CB C 13 37.612 0.000 . . . . . . A 11 DPN CB . c30381_6bvw 1 107 . 1 1 11 11 DPN HA H 1 4.876 0.011 . . . . . . A 11 DPN HA . c30381_6bvw 1 108 . 1 1 11 11 DPN HB2 H 1 3.052 0.008 . . . . . . A 11 DPN HB2 . c30381_6bvw 1 109 . 1 1 11 11 DPN HB3 H 1 2.812 0.011 . . . . . . A 11 DPN HB3 . c30381_6bvw 1 110 . 1 1 11 11 DPN HD2 H 1 6.816 0.005 . . . . . . A 11 DPN HD2 . c30381_6bvw 1 111 . 1 1 11 11 DPN HE2 H 1 7.270 0.001 . . . . . . A 11 DPN HE2 . c30381_6bvw 1 112 . 1 1 12 12 MMO N N 15 2.896 0.000 . . . . . . A 12 MMO N . c30381_6bvw 1 113 . 1 1 12 12 MMO CA C 13 55.640 0.000 . . . . . . A 12 MMO CA . c30381_6bvw 1 114 . 1 1 12 12 MMO CB C 13 28.315 0.048 . . . . . . A 12 MMO CB . c30381_6bvw 1 115 . 1 1 12 12 MMO CD C 13 43.236 0.012 . . . . . . A 12 MMO CD . c30381_6bvw 1 116 . 1 1 12 12 MMO CG C 13 26.917 0.032 . . . . . . A 12 MMO CG . c30381_6bvw 1 117 . 1 1 12 12 MMO HA H 1 4.242 0.004 . . . . . . A 12 MMO HA . c30381_6bvw 1 118 . 1 1 12 12 MMO HCB1 H 1 1.285 0.006 . . . . . . A 12 MMO HCB1 . c30381_6bvw 1 119 . 1 1 12 12 MMO HCB2 H 1 -0.047 0.003 . . . . . . A 12 MMO HCB2 . c30381_6bvw 1 120 . 1 1 12 12 MMO HCD1 H 1 2.688 0.015 . . . . . . A 12 MMO HCD1 . c30381_6bvw 1 121 . 1 1 12 12 MMO HCD2 H 1 2.664 0.009 . . . . . . A 12 MMO HCD2 . c30381_6bvw 1 122 . 1 1 12 12 MMO HCG1 H 1 0.607 0.004 . . . . . . A 12 MMO HCG1 . c30381_6bvw 1 123 . 1 1 12 12 MMO HCG2 H 1 -0.441 0.004 . . . . . . A 12 MMO HCG2 . c30381_6bvw 1 124 . 1 1 12 12 MMO HE H 1 6.859 0.005 . . . . . . A 12 MMO HE . c30381_6bvw 1 125 . 1 1 12 12 MMO NE N 15 119.795 0.000 . . . . . . A 12 MMO NE . c30381_6bvw 1 126 . 1 1 13 13 E9M N N 15 2.866 0.000 . . . . . . A 13 E9M N . c30381_6bvw 1 127 . 1 1 13 13 E9M CA C 13 62.985 0.000 . . . . . . A 13 E9M CA . c30381_6bvw 1 128 . 1 1 13 13 E9M CB C 13 27.140 0.000 . . . . . . A 13 E9M CB . c30381_6bvw 1 129 . 1 1 13 13 E9M HA H 1 5.198 0.013 . . . . . . A 13 E9M HA . c30381_6bvw 1 130 . 1 1 13 13 E9M HB2 H 1 3.174 0.014 . . . . . . A 13 E9M HB2 . c30381_6bvw 1 131 . 1 1 13 13 E9M HB3 H 1 3.132 0.013 . . . . . . A 13 E9M HB3 . c30381_6bvw 1 132 . 1 1 13 13 E9M HD1 H 1 7.119 0.003 . . . . . . A 13 E9M HD1 . c30381_6bvw 1 133 . 1 1 13 13 E9M HE1 H 1 10.179 0.003 . . . . . . A 13 E9M HE1 . c30381_6bvw 1 134 . 1 1 13 13 E9M HE3 H 1 7.428 0.004 . . . . . . A 13 E9M HE3 . c30381_6bvw 1 135 . 1 1 13 13 E9M HZ2 H 1 7.443 0.004 . . . . . . A 13 E9M HZ2 . c30381_6bvw 1 136 . 1 1 14 14 ARG H H 1 7.472 0.005 . . . . . . A 14 ARG H . c30381_6bvw 1 137 . 1 1 14 14 ARG HA H 1 4.527 0.002 . . . . . . A 14 ARG HA . c30381_6bvw 1 138 . 1 1 14 14 ARG HB2 H 1 1.697 0.010 . . . . . . A 14 ARG HB2 . c30381_6bvw 1 139 . 1 1 14 14 ARG HB3 H 1 1.484 0.010 . . . . . . A 14 ARG HB3 . c30381_6bvw 1 140 . 1 1 14 14 ARG HG2 H 1 1.437 0.006 . . . . . . A 14 ARG HG2 . c30381_6bvw 1 141 . 1 1 14 14 ARG HG3 H 1 1.437 0.006 . . . . . . A 14 ARG HG3 . c30381_6bvw 1 142 . 1 1 14 14 ARG HD2 H 1 3.087 0.002 . . . . . . A 14 ARG HD2 . c30381_6bvw 1 143 . 1 1 14 14 ARG HD3 H 1 3.087 0.002 . . . . . . A 14 ARG HD3 . c30381_6bvw 1 144 . 1 1 14 14 ARG HE H 1 7.172 0.004 . . . . . . A 14 ARG HE . c30381_6bvw 1 145 . 1 1 14 14 ARG CA C 13 55.431 0.000 . . . . . . A 14 ARG CA . c30381_6bvw 1 146 . 1 1 14 14 ARG CB C 13 29.426 0.065 . . . . . . A 14 ARG CB . c30381_6bvw 1 147 . 1 1 14 14 ARG CG C 13 26.969 0.000 . . . . . . A 14 ARG CG . c30381_6bvw 1 148 . 1 1 14 14 ARG CD C 13 43.271 0.000 . . . . . . A 14 ARG CD . c30381_6bvw 1 149 . 1 1 14 14 ARG N N 15 126.498 0.000 . . . . . . A 14 ARG N . c30381_6bvw 1 150 . 1 1 14 14 ARG NE N 15 119.262 0.000 . . . . . . A 14 ARG NE . c30381_6bvw 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 c30381_6bvw _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 7.283 4.287 1 T 1.619e+06 0.00e+00 a 0 H.4 HA.4 2 7.283 3.823 1 T 2.361e+05 0.00e+00 a 0 H.4 HB2.4 3 7.283 3.671 1 T 7.956e+05 0.00e+00 a 0 H.4 HB3.4 4 8.170 3.815 1 T 1.817e+06 0.00e+00 a 0 H.5 HB2.4 5 8.170 3.684 1 T 5.426e+05 0.00e+00 a 0 H.5 HB3.4 6 8.170 4.291 1 T 2.950e+06 0.00e+00 a 0 H.5 HA.4 7 8.166 4.213 1 T 2.058e+04 0.00e+00 a 0 H.5 HA.5 8 3.816 4.295 1 T 1.365e+06 0.00e+00 a 0 HB2.4 HA.4 10 3.689 4.295 1 T 1.372e+06 0.00e+00 a 0 HB3.4 HA.4 11 3.685 3.819 1 T 3.641e+07 0.00e+00 a 0 HB3.4 HB2.4 12 8.459 2.775 1 T 3.479e+05 0.00e+00 a 0 H.1 HB3.1 13 8.459 3.165 1 T 1.677e+06 0.00e+00 a 0 H.1 HB2.1 14 8.455 5.656 1 T 1.066e+06 0.00e+00 a 0 H.1 HA.1 15 8.664 1.320 1 T 2.067e+06 0.00e+00 a 0 H.2 QG2.2 16 8.660 2.781 1 T 1.450e+06 0.00e+00 a 0 H.2 HB3.1 17 8.660 3.158 1 T 4.935e+05 0.00e+00 a 0 H.2 HB2.1 18 8.664 4.340 1 T 9.711e+05 0.00e+00 a 0 H.2 HA.2 19 8.664 4.455 1 T 5.920e+05 0.00e+00 a 0 H.2 HB.2 20 4.326 4.453 1 T 1.421e+06 0.00e+00 a 0 HA.2 HB.2 21 3.156 5.663 1 T -5.600e+04 0.00e+00 a 0 HB2.1 HA.1 22 2.775 5.667 1 T 1.361e+06 0.00e+00 a 0 HB3.1 HA.1 23 1.314 4.325 1 T 2.343e+06 0.00e+00 a 0 QG2.2 HA.2 24 1.314 4.457 1 T 4.914e+06 0.00e+00 a 0 QG2.2 HB.2 25 8.667 5.661 1 T 5.537e+06 0.00e+00 a 0 H.2 HA.1 26 8.174 1.717 1 T 1.630e+06 0.00e+00 a 0 H.5 HB.5 27 8.174 1.364 1 T 4.633e+05 0.00e+00 a 0 H.5 HG12.5 28 8.166 0.970 1 T 2.816e+05 0.00e+00 a 0 H.5 HG13.5 29 8.166 0.756 1 T 4.468e+05 0.00e+00 a 0 H.5 QD1.5 30 8.439 4.328 1 T 5.497e+06 0.00e+00 a 0 H.3 HA.2 31 8.439 4.447 1 T 2.953e+06 0.00e+00 a 0 H.3 HB.2 32 1.305 4.495 1 T 3.339e+06 0.00e+00 a 0 QB.3 HA.3 33 8.441 1.312 1 T 3.648e+06 0.00e+00 a 0 H.3 QB.3 34 8.441 4.485 1 T 3.029e+06 0.00e+00 a 0 H.3 HA.3 35 7.275 1.314 1 T 4.554e+05 0.00e+00 a 0 H.4 QB.3 36 7.284 4.478 1 T 1.175e+06 0.00e+00 a 0 H.4 HA.3 37 1.817 4.213 1 T 8.688e+05 0.00e+00 a 0 HB.8 HA.8 38 1.337 4.217 1 T 6.442e+05 0.00e+00 a 0 HG12.8 HA.8 39 1.058 4.213 1 T 5.336e+05 0.00e+00 a 0 HG13.8 HA.8 40 0.713 4.221 1 T 9.731e+05 0.00e+00 a 0 QD1.8 HA.8 41 0.664 4.217 1 T 1.514e+06 0.00e+00 a 0 QG2.8 HA.8 42 1.723 4.217 1 T 1.031e+06 0.00e+00 a 0 HB.5 HA.5 43 1.370 4.221 1 T 8.294e+05 0.00e+00 a 0 HG12.5 HA.5 44 0.963 4.213 1 T 5.975e+05 0.00e+00 a 0 HG13.5 HA.5 45 0.746 4.213 1 T 3.343e+06 0.00e+00 a 0 QD1.5 HA.5 46 7.691 4.224 1 T 1.151e+06 0.00e+00 a 0 H.8 HA.8 47 7.691 4.137 1 T 3.912e+06 0.00e+00 a 0 H.8 HA.7 48 7.683 1.809 1 T 1.448e+06 0.00e+00 a 0 H.8 HB.8 49 7.683 1.731 1 T 4.205e+05 0.00e+00 a 0 H.8 HB3.7 50 7.683 2.359 1 T 2.755e+05 0.00e+00 a 0 H.8 HB2.7 51 2.351 3.721 1 T 5.116e+05 0.00e+00 a 0 HB2.7 HD2.7 53 1.727 3.717 1 T 3.458e+05 0.00e+00 a 0 HB3.7 HD2.7 54 1.727 3.611 1 T 3.677e+05 0.00e+00 a 0 HB3.7 HD3.7 55 2.015 3.611 1 T 1.601e+06 0.00e+00 a 0 HG2.7 HD3.7 56 2.347 3.623 1 T 6.934e+05 0.00e+00 a 0 HB2.7 HD3.7 57 2.351 4.128 1 T 1.827e+06 0.00e+00 a 0 HB2.7 HA.7 58 2.015 4.140 1 T 2.246e+05 0.00e+00 a 0 HG2.7 HA.7 59 1.719 4.128 1 T 6.310e+05 0.00e+00 a 0 HB3.7 HA.7 60 3.607 3.721 1 T 1.732e+07 0.00e+00 a 0 HD3.7 HD2.7 61 3.726 5.010 1 T 3.361e+06 0.00e+00 a 0 HD2.7 HA.6 62 3.615 5.010 1 T 2.714e+06 0.00e+00 a 0 HD3.7 HA.6 63 4.132 2.355 1 T 2.853e+06 0.00e+00 a 0 HA.7 HB2.7 64 4.128 1.719 1 T 8.826e+05 0.00e+00 a 0 HA.7 HB3.7 65 4.132 2.022 1 T 2.653e+05 0.00e+00 a 0 HA.7 HG3.7 66 3.710 1.731 1 T 2.813e+05 0.00e+00 a 0 HD2.7 HB3.7 67 3.607 1.731 1 T 3.346e+05 0.00e+00 a 0 HD3.7 HB3.7 68 3.730 2.018 1 T 1.821e+06 0.00e+00 a 0 HD2.7 HG2.7 69 3.615 2.006 1 T 2.119e+06 0.00e+00 a 0 HD3.7 HG2.7 70 3.718 2.355 1 T 5.081e+05 0.00e+00 a 0 HD2.7 HB2.7 71 3.615 2.351 1 T 4.997e+05 0.00e+00 a 0 HD3.7 HB2.7 72 3.439 5.002 1 T 2.597e+05 0.00e+00 a 0 HD3.6 HA.6 73 2.380 5.018 1 T 2.067e+06 0.00e+00 a 0 HB2.6 HA.6 74 1.941 5.014 1 T 8.949e+05 0.00e+00 a 0 HB3.6 HA.6 75 1.879 5.010 1 T 2.770e+05 0.00e+00 a 0 HG2.6 HA.6 76 1.760 5.006 1 T 2.733e+05 0.00e+00 a 0 HG3.6 HA.6 77 1.871 3.541 1 T 1.386e+06 0.00e+00 a 0 HG2.6 HD2.6 78 1.760 3.541 1 T 1.396e+06 0.00e+00 a 0 HG3.6 HD2.6 79 1.875 3.438 1 T 2.367e+06 0.00e+00 a 0 HG2.6 HD3.6 80 1.764 3.438 1 T 1.574e+06 0.00e+00 a 0 HG3.6 HD3.6 81 2.363 3.434 1 T 6.762e+05 0.00e+00 a 0 HB2.6 HD3.6 82 3.443 3.545 1 T 2.522e+07 0.00e+00 a 0 HD3.6 HD2.6 83 1.953 3.442 1 T 3.048e+05 0.00e+00 a 0 HB3.6 HD3.6 84 1.945 3.537 1 T 3.958e+05 0.00e+00 a 0 HB3.6 HD2.6 85 4.206 5.018 1 T 5.242e+06 0.00e+00 a 0 HA.5 HA.6 87 0.742 5.014 1 T 2.019e+06 0.00e+00 a 0 QD1.5 HA.6 88 3.722 4.222 1 T 8.244e+05 0.00e+00 a 0 HD2.7 HA.5 89 3.619 4.226 1 T 3.713e+05 0.00e+00 a 0 HD3.7 HA.5 90 2.542 5.317 1 T 4.885e+05 0.00e+00 a 0 HB2.9 HA.9 91 2.336 5.308 1 T 1.674e+06 0.00e+00 a 0 HB3.9 HA.9 92 5.302 5.658 1 T 4.725e+06 0.00e+00 a 0 HA.9 HA.1 93 5.657 5.304 1 T 3.448e+06 0.00e+00 a 0 HA.1 HA.9 94 8.892 2.329 1 T 5.908e+05 0.00e+00 a 0 H.9 HB3.9 95 8.892 2.539 1 T 1.872e+06 0.00e+00 a 0 H.9 HB2.9 96 8.883 5.304 1 T 1.529e+05 0.00e+00 a 0 H.9 HA.9 97 8.901 4.222 1 T 5.636e+06 0.00e+00 a 0 H.9 HA.8 98 7.685 0.675 1 T 2.469e+05 0.00e+00 a 0 H.8 QG2.8 99 7.685 0.728 1 T 2.399e+05 0.00e+00 a 0 H.8 QD1.8 100 7.685 1.051 1 T 3.775e+05 0.00e+00 a 0 H.8 HG13.8 102 8.892 0.666 1 T 8.036e+05 0.00e+00 a 0 H.9 - 103 8.896 0.733 1 T 2.022e+05 0.00e+00 a 0 H.9 - 104 8.892 1.810 1 T 1.897e+05 0.00e+00 a 0 H.9 HB.8 105 8.928 4.788 1 T 3.612e+05 0.00e+00 a 0 H.10 HA.10 106 8.923 3.299 1 T 4.750e+05 0.00e+00 a 0 H.10 HB2.10 107 8.923 2.877 1 T 1.345e+06 0.00e+00 a 0 H.10 HB3.10 108 7.025 2.881 1 T 6.139e+05 0.00e+00 a 0 HD2.10 HB3.10 109 7.030 3.312 1 T 2.792e+05 0.00e+00 a 0 HD2.10 HB2.10 111 8.919 5.300 1 T 6.058e+06 0.00e+00 a 0 H.10 HA.9 112 8.923 2.329 1 T 1.065e+06 0.00e+00 a 0 H.10 HB3.9 113 8.923 2.540 1 T 8.634e+05 0.00e+00 a 0 H.10 HB2.9 114 3.297 4.788 1 T 6.336e+05 0.00e+00 a 0 HB2.10 HA.10 115 2.866 4.780 1 T 6.933e+05 0.00e+00 a 0 HB3.10 HA.10 116 7.722 2.881 1 T 6.995e+05 0.00e+00 a 0 H.11 HB3.10 117 7.731 3.299 1 T 3.201e+05 0.00e+00 a 0 H.11 HB2.10 118 7.727 4.780 1 T 1.583e+06 0.00e+00 a 0 H.11 HA.10 119 3.043 4.878 1 T 1.717e+06 0.00e+00 a 0 HB2.11 HA.11 120 2.805 4.883 1 T 5.587e+05 0.00e+00 a 0 HB3.11 HA.11 121 7.729 3.052 1 T 8.096e+05 0.00e+00 a 0 H.11 HB2.11 122 7.724 2.809 1 T 1.244e+06 0.00e+00 a 0 H.11 HB3.11 123 7.729 6.819 1 T 2.163e+05 0.00e+00 a 0 H.11 QD.11 124 7.729 4.880 1 T 9.729e+05 0.00e+00 a 0 H.11 HA.11 125 6.809 4.880 1 T 3.516e+05 0.00e+00 a 0 QD.11 HA.11 126 6.818 3.059 1 T 1.638e+06 0.00e+00 a 0 QD.11 HB2.11 127 6.809 2.803 1 T 7.882e+05 0.00e+00 a 0 QD.11 HB3.11 128 7.463 4.527 1 T 6.090e+05 0.00e+00 a 0 H.14 HA.14 129 8.459 4.527 1 T 5.643e+06 0.00e+00 a 0 H.1 HA.14 130 7.459 5.191 1 T 2.597e+06 0.00e+00 a 0 H.14 HA.13 133 6.859 -0.438 1 T 2.334e+05 0.00e+00 a 0 HE.12 HG3.12 136 1.284 4.244 1 T 5.934e+05 0.00e+00 a 0 HB2.12 HA.12 137 0.608 4.240 1 T 3.515e+05 0.00e+00 a 0 HG2.12 HA.12 139 -0.051 4.247 1 T 1.036e+06 0.00e+00 a 0 HB3.12 HA.12 140 -0.443 4.247 1 T 6.689e+05 0.00e+00 a 0 HG3.12 HA.12 142 10.178 7.115 1 T 1.953e+06 0.00e+00 a 0 HE1.13 HD1.13 143 10.178 7.448 1 T 9.414e+05 0.00e+00 a 0 HE1.13 HZ2.13 145 7.119 5.199 1 T 3.065e+05 0.00e+00 a 0 HD1.13 HA.13 151 7.471 2.886 1 T 7.515e+05 0.00e+00 a 0 H.14 QN.13 #added manually 153 7.474 1.695 1 T 7.876e+05 0.00e+00 a 0 H.14 HB2.14 154 7.478 1.494 1 T 1.265e+06 0.00e+00 a 0 H.14 HB3.14 155 7.478 1.439 1 T 1.036e+06 0.00e+00 a 0 H.14 HG3.14 156 7.436 -0.437 1 T 3.615e+05 0.00e+00 a 0 HZ2.13 HG3.12 157 7.120 -0.441 1 T 1.997e+05 0.00e+00 a 0 HD1.13 HG3.12 158 7.120 -0.042 1 T 3.981e+05 0.00e+00 a 0 HD1.13 HB3.12 159 7.440 -0.046 1 T 2.047e+05 0.00e+00 a 0 HZ2.13 HB3.12 160 8.445 0.665 1 T 2.574e+05 0.00e+00 a 0 H.1 - 161 8.449 0.723 1 T 2.324e+05 0.00e+00 a 0 H.1 - 162 8.924 1.703 1 T 2.037e+05 0.00e+00 a 0 H.10 HB2.14 163 8.920 1.476 1 T 2.814e+05 0.00e+00 a 0 H.10 HB3.14 164 8.457 1.463 1 T 3.088e+05 0.00e+00 a 0 H.1 HB3.14 165 8.457 1.703 1 T 3.219e+05 0.00e+00 a 0 H.1 HB2.14 166 5.662 3.156 1 T -2.583e+05 0.00e+00 a 0 HA.1 HB2.1 167 5.658 2.774 1 T 1.705e+06 0.00e+00 a 0 HA.1 HB3.1 168 8.919 7.734 1 T 1.911e+06 0.00e+00 a 0 H.10 H.11 169 8.924 7.474 1 T 3.529e+05 0.00e+00 a 0 H.10 H.14 170 8.663 7.692 1 T 1.262e+06 0.00e+00 a 0 H.2 H.8 173 10.180 3.145 1 T 1.140e+05 0.00e+00 a 0 HE1.13 HB2.13 174 10.185 2.670 1 T 2.582e+05 0.00e+00 a 0 HE1.13 HD3.12 176 8.659 1.716 1 T 2.333e+05 0.00e+00 a 0 H.2 HB3.7 177 8.659 0.729 1 T 1.725e+05 0.00e+00 a 0 H.2 - 178 8.659 0.687 1 T 1.612e+05 0.00e+00 a 0 H.2 - 179 7.730 2.339 1 T 1.303e+06 0.00e+00 a 0 H.11 HB3.9 180 7.730 2.541 1 T 2.922e+05 0.00e+00 a 0 H.11 HB2.9 181 1.682 4.528 1 T 6.722e+05 0.00e+00 a 0 HB2.14 HA.14 182 1.484 4.528 1 T 7.363e+05 0.00e+00 a 0 HB3.14 HA.14 183 1.438 4.528 1 T 1.114e+06 0.00e+00 a 0 HG2.14 HA.14 184 1.968 3.616 1 T 1.643e+06 0.00e+00 a 0 - - 187 -0.042 2.897 1 T 4.621e+05 0.00e+00 a 0 HB3.12 QN.12 #added manually 188 -0.046 2.675 1 T 5.001e+05 0.00e+00 a 0 HB3.12 HD2.12 189 -0.046 1.292 1 T 5.330e+06 0.00e+00 a 0 HB3.12 HB2.12 190 -0.439 2.893 1 T 2.305e+05 0.00e+00 a 0 HG3.12 QN.12 #added manually 191 -0.443 2.666 1 T 7.298e+05 0.00e+00 a 0 HG3.12 HD2.12 192 -0.439 1.283 1 T 8.403e+05 0.00e+00 a 0 HG3.12 HB2.12 193 -0.439 0.602 1 T 3.862e+06 0.00e+00 a 0 HG3.12 HG2.12 194 -0.451 -0.050 1 T 7.587e+05 0.00e+00 a 0 HG3.12 HB3.12 195 -0.052 0.606 1 T 1.198e+06 0.00e+00 a 0 HB3.12 HG2.12 197 6.811 -0.440 1 T 6.804e+05 0.00e+00 a 0 QD.11 HG3.12 198 6.816 0.615 1 T 1.124e+06 0.00e+00 a 0 QD.11 HG2.12 199 6.862 0.615 1 T 1.513e+05 0.00e+00 a 0 HE.12 HG2.12 200 6.820 1.283 1 T 2.630e+05 0.00e+00 a 0 QD.11 HB2.12 201 6.807 4.232 1 T 2.399e+05 0.00e+00 a 0 QD.11 - 202 6.816 4.779 1 T 2.255e+05 0.00e+00 a 0 QD.11 HA.10 203 6.811 2.895 1 T 6.126e+05 0.00e+00 a 0 QD.11 HB3.10 204 6.858 1.285 1 T 1.725e+05 0.00e+00 a 0 HE.12 HB2.12 205 2.018 3.717 1 T 1.937e+06 0.00e+00 a 0 HG3.7 HD2.7 206 8.167 0.773 1 T 3.618e+05 0.00e+00 a 0 H.5 QG2.5 207 0.603 2.676 1 T 5.172e+05 0.00e+00 a 0 HG2.12 HD2.12 208 0.606 1.281 1 T 8.644e+05 0.00e+00 a 0 HG2.12 HB2.12 209 2.898 4.880 1 T 7.177e+06 0.00e+00 a 0 QN.12 HA.11 #added manually 211 0.608 2.897 1 T 6.504e+05 0.00e+00 a 0 HG2.12 QN.12 # added manually 212 6.849 2.664 1 T 4.243e+05 0.00e+00 a 0 HE.12 HD3.12 213 6.849 2.704 1 T 4.563e+05 0.00e+00 a 0 HE.12 HD2.12 214 3.180 5.200 1 T 9.035e+05 0.00e+00 a 0 HB2.13 HA.13 215 3.128 5.200 1 T 2.218e+06 0.00e+00 a 0 HB3.13 HA.13 216 7.115 3.177 1 T 1.751e+06 0.00e+00 a 0 HD1.13 HB2.13 217 7.115 3.136 1 T 1.107e+06 0.00e+00 a 0 HD1.13 HB3.13 218 7.430 3.129 1 T 1.253e+06 0.00e+00 a 0 HE3.13 HB3.13 219 7.430 3.185 1 T 8.158e+05 0.00e+00 a 0 HE3.13 HB2.13 220 7.470 3.181 1 T 2.181e+05 0.00e+00 a 0 H.14 HB2.13 221 7.474 3.125 1 T 2.675e+05 0.00e+00 a 0 H.14 HB3.13 222 7.426 4.246 1 T 8.936e+05 0.00e+00 a 0 HE3.13 - 223 7.474 4.253 1 T 5.696e+05 0.00e+00 a 0 H.14 HA.12 #added manually 225 7.119 4.239 1 T 3.363e+05 0.00e+00 a 0 HD1.13 - 226 7.444 2.700 1 T 3.698e+05 0.00e+00 a 0 HZ2.13 HD2.12 227 7.444 2.645 1 T 4.594e+05 0.00e+00 a 0 HZ2.13 HD3.12 228 7.685 1.366 1 T 4.851e+05 0.00e+00 a 0 H.8 HG12.8 229 7.685 1.325 1 T 4.930e+05 0.00e+00 a 0 - - 230 7.271 3.055 1 T 1.703e+05 0.00e+00 a 0 QE.11 HB2.11 231 7.271 2.807 1 T 1.434e+05 0.00e+00 a 0 QE.11 HB3.11 232 7.271 6.824 1 T 4.969e+06 0.00e+00 a 0 QE.11 QD.11 233 7.733 5.304 1 T 2.354e+05 0.00e+00 a 0 H.11 HA.9 234 3.532 5.006 1 T 1.504e+05 0.00e+00 a 0 HD2.6 HA.6 235 7.268 2.341 1 T 3.045e+05 0.00e+00 a 0 QE.11 HB3.9 236 7.268 2.546 1 T 4.777e+05 0.00e+00 a 0 QE.11 HB2.9 237 4.239 5.193 1 T 8.157e+06 0.00e+00 a 0 HA.12 HA.13 238 7.422 5.189 1 T 1.373e+06 0.00e+00 a 0 HE3.13 HA.13 239 7.284 4.130 1 T 6.461e+05 0.00e+00 a 0 H.4 HA.7 240 7.433 2.338 1 T 3.630e+05 0.00e+00 a 0 HE3.13 HB3.9 241 7.430 2.538 1 T 1.951e+05 0.00e+00 a 0 HE3.13 HB2.9 242 2.775 3.165 1 T 1.009e+07 0.00e+00 a 0 HB3.1 HB2.1 243 -0.446 5.189 1 T 1.236e+05 0.00e+00 a 0 HG3.12 HA.13 244 -0.049 5.183 1 T 1.726e+05 0.00e+00 a 0 HB3.12 HA.13 246 2.336 5.666 1 T 2.348e+05 0.00e+00 a 0 HB3.9 HA.1 247 8.662 5.298 1 T 7.133e+05 0.00e+00 a 0 H.2 HA.9 251 6.820 2.544 1 T 1.218e+05 0.00e+00 a 0 QD.11 HB2.9 252 6.820 2.343 1 T 1.487e+05 0.00e+00 a 0 QD.11 HB3.9 253 2.888 3.311 1 T -2.210e+06 0.00e+00 a 0 HB3.10 HB2.10 254 1.286 2.892 1 T 1.495e+06 0.00e+00 a 0 HB2.12 QN.12 #added manually 255 3.185 4.241 1 T 4.364e+05 0.00e+00 a 0 - HA.12 256 3.139 4.238 1 T 4.850e+05 0.00e+00 a 0 - HA.12 257 10.175 -0.436 1 T 8.296e+04 0.00e+00 a 0 HE1.13 HG3.12 258 10.182 -0.046 1 T 3.520e+05 0.00e+00 a 0 HE1.13 HB3.12 259 10.175 1.299 1 T 1.539e+05 0.00e+00 a 0 HE1.13 HB2.12 260 4.246 2.896 1 T 4.699e+05 0.00e+00 a 0 - - 261 2.896 1.290 1 T 3.402e+06 0.00e+00 a 0 - - 262 3.111 2.886 1 T 3.477e+06 0.00e+00 a 0 HB3.13 QN.13 #added manually ; 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 1 . . H 1 H . . 11.9705 ppm . . . 4.76 . . c30381_6bvw 1 2 . . C 12 C . . 100 ppm . . . 4.76 . . c30381_6bvw 1 3 . . N 14 HN . . 35 ppm . . . 4.76 . . c30381_6bvw 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 c30381_6bvw _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 24 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 c30381_6bvw _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 . . . c30381_6bvw 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 . . . . c30381_6bvw 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 3.137 -2.350 1.189 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 1 . 2 . 1 1 1 CYS CA C 1.749 -1.737 1.023 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 1 . 3 . 1 1 1 CYS CB C 1.574 -0.575 2.004 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 1 . 4 . 1 1 1 CYS H1 H 0.503 -3.028 2.146 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 1 . 5 . 1 1 1 CYS HA H 1.652 -1.362 0.015 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 1 . 6 . 1 1 1 CYS HB3 H 2.284 0.201 1.761 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 7 . 1 1 1 CYS N N 0.709 -2.736 1.232 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 1 . 8 . 1 1 1 CYS O O 3.331 -3.269 1.986 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 1 . 9 . 1 1 1 CYS SG S -0.090 0.167 1.987 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 1 . 10 . 1 1 2 THR C C 6.354 -1.407 1.309 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 1 . 11 . 1 1 2 THR CA C 5.467 -2.335 0.489 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 1 . 12 . 1 1 2 THR CB C 6.070 -2.492 -0.919 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 1 . 13 . 1 1 2 THR CG2 C 5.415 -3.644 -1.665 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 1 . 14 . 1 1 2 THR H H 3.882 -1.107 -0.187 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 1 . 15 . 1 1 2 THR HA H 5.448 -3.308 0.960 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 1 . 16 . 1 1 2 THR HB H 7.126 -2.700 -0.822 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 1 . 17 . 1 1 2 THR HG1 H 6.535 -1.254 -2.384 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 1 . 18 . 1 1 2 THR HG21 H 5.862 -4.577 -1.351 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 1 . 19 . 1 1 2 THR HG22 H 5.560 -3.515 -2.727 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 1 . 20 . 1 1 2 THR HG23 H 4.358 -3.659 -1.444 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 1 . 21 . 1 1 2 THR N N 4.098 -1.838 0.428 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 1 . 22 . 1 1 2 THR O O 5.879 -0.430 1.888 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 1 . 23 . 1 1 2 THR OG1 O 5.901 -1.279 -1.662 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 1 . 24 . 1 1 3 ALA C C 9.330 0.069 1.183 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 1 . 25 . 1 1 3 ALA CA C 8.600 -0.906 2.101 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 1 . 26 . 1 1 3 ALA CB C 9.596 -1.799 2.825 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 1 . 27 . 1 1 3 ALA H H 7.965 -2.506 0.870 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 1 . 28 . 1 1 3 ALA HA H 8.052 -0.343 2.843 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 1 . 29 . 1 1 3 ALA HB1 H 9.208 -2.806 2.871 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 1 . 30 . 1 1 3 ALA HB2 H 10.535 -1.799 2.291 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 1 . 31 . 1 1 3 ALA HB3 H 9.751 -1.425 3.827 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 32 . 1 1 3 ALA N N 7.645 -1.715 1.353 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 1 . 33 . 1 1 3 ALA O O 10.396 0.580 1.527 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 1 . 34 . 1 1 4 SER C C 9.596 2.602 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 1 . 35 . 1 1 4 SER CA C 9.350 1.232 -0.955 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 1 . 36 . 1 1 4 SER CB C 8.446 1.372 -2.181 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 1 . 37 . 1 1 4 SER H H 7.902 -0.118 -0.202 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 1 . 38 . 1 1 4 SER HA H 10.296 0.814 -1.263 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 1 . 39 . 1 1 4 SER HB3 H 7.626 2.035 -1.947 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 40 . 1 1 4 SER HG H 9.159 1.264 -4.002 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 1 . 41 . 1 1 4 SER N N 8.751 0.321 0.014 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 1 . 42 . 1 1 4 SER O O 9.011 2.944 0.696 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 1 . 43 . 1 1 4 SER OG O 9.161 1.902 -3.285 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 1 . 44 . 1 1 5 ILE C C 10.639 5.761 -1.574 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 1 . 45 . 1 1 5 ILE CA C 10.792 4.718 -0.472 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 1 . 46 . 1 1 5 ILE CB C 12.226 4.779 0.083 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 1 . 47 . 1 1 5 ILE CD1 C 11.642 6.838 1.461 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 1 . 48 . 1 1 5 ILE CG1 C 12.590 6.219 0.458 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 1 . 49 . 1 1 5 ILE CG2 C 13.213 4.227 -0.934 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 1 . 50 . 1 1 5 ILE H H 10.902 3.055 -1.777 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 1 . 51 . 1 1 5 ILE HA H 10.106 4.953 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 1 . 52 . 1 1 5 ILE HB H 12.274 4.162 0.967 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 1 . 53 . 1 1 5 ILE HD11 H 12.202 7.194 2.314 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 1 . 54 . 1 1 5 ILE HD12 H 11.121 7.663 1.001 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 1 . 55 . 1 1 5 ILE HD13 H 10.926 6.096 1.787 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 1 . 56 . 1 1 5 ILE HG13 H 12.577 6.827 -0.432 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 1 . 57 . 1 1 5 ILE HG21 H 13.403 4.972 -1.692 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 1 . 58 . 1 1 5 ILE HG22 H 14.138 3.975 -0.438 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 1 . 59 . 1 1 5 ILE HG23 H 12.798 3.343 -1.395 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 1 . 60 . 1 1 5 ILE N N 10.467 3.384 -0.963 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 1 . 61 . 1 1 5 ILE O O 11.478 5.884 -2.467 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 1 . 62 . 1 1 6 PRO C C 7.740 5.102 -0.577 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 1 . 63 . 1 1 6 PRO CA C 8.539 6.395 -0.452 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 1 . 64 . 1 1 6 PRO CB C 7.630 7.608 -0.668 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 1 . 65 . 1 1 6 PRO CD C 9.203 7.598 -2.468 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 1 . 66 . 1 1 6 PRO CG C 7.785 7.946 -2.109 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 1 . 67 . 1 1 6 PRO HA H 8.986 6.447 0.530 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 1 . 68 . 1 1 6 PRO HB3 H 7.953 8.421 -0.034 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 69 . 1 1 6 PRO HD3 H 9.847 8.455 -2.335 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 1 . 70 . 1 1 6 PRO HG3 H 7.608 9.001 -2.260 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 1 . 71 . 1 1 6 PRO N N 9.544 6.532 -1.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 1 . 72 . 1 1 6 PRO O O 7.796 4.404 -1.590 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 1 . 73 . 1 1 7 PRO C C 4.966 3.645 -0.448 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 1 . 74 . 1 1 7 PRO CA C 6.151 3.563 0.510 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 1 . 75 . 1 1 7 PRO CB C 5.664 3.504 1.958 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 1 . 76 . 1 1 7 PRO CD C 6.862 5.560 1.717 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 1 . 77 . 1 1 7 PRO CG C 5.703 4.918 2.428 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 1 . 78 . 1 1 7 PRO HA H 6.732 2.680 0.286 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 1 . 79 . 1 1 7 PRO HB3 H 6.324 2.878 2.538 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 80 . 1 1 7 PRO HD3 H 7.761 5.477 2.310 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 1 . 81 . 1 1 7 PRO HG3 H 5.859 4.945 3.497 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 1 . 82 . 1 1 7 PRO N N 6.977 4.774 0.477 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 1 . 83 . 1 1 7 PRO O O 4.455 4.729 -0.728 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 1 . 84 . 1 1 8 ILE C C 2.260 1.618 -1.287 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 1 . 85 . 1 1 8 ILE CA C 3.410 2.432 -1.872 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 1 . 86 . 1 1 8 ILE CB C 3.822 1.819 -3.223 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 1 . 87 . 1 1 8 ILE CD1 C 4.264 -0.404 -4.381 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 1 . 88 . 1 1 8 ILE CG1 C 3.645 0.300 -3.194 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 1 . 89 . 1 1 8 ILE CG2 C 5.262 2.184 -3.552 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 1 . 90 . 1 1 8 ILE H H 4.984 1.659 -0.687 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 1 . 91 . 1 1 8 ILE HA H 3.069 3.443 -2.046 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 1 . 92 . 1 1 8 ILE HB H 3.187 2.233 -3.990 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 1 . 93 . 1 1 8 ILE HD11 H 4.456 0.313 -5.165 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 1 . 94 . 1 1 8 ILE HD12 H 5.192 -0.869 -4.082 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 1 . 95 . 1 1 8 ILE HD13 H 3.583 -1.161 -4.746 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 1 . 96 . 1 1 8 ILE HG13 H 2.590 0.068 -3.182 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 1 . 97 . 1 1 8 ILE HG21 H 5.931 1.568 -2.970 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 1 . 98 . 1 1 8 ILE HG22 H 5.443 2.017 -4.603 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 1 . 99 . 1 1 8 ILE HG23 H 5.434 3.223 -3.317 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 1 . 100 . 1 1 8 ILE N N 4.535 2.490 -0.948 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 1 . 101 . 1 1 8 ILE O O 2.471 0.726 -0.465 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 1 . 102 . 1 1 9 CYS C C -1.132 0.994 -2.375 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 1 . 103 . 1 1 9 CYS CA C -0.143 1.230 -1.239 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 1 . 104 . 1 1 9 CYS CB C -0.815 2.026 -0.120 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 1 . 105 . 1 1 9 CYS H H 0.937 2.653 -2.374 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 1 . 106 . 1 1 9 CYS HA H 0.173 0.274 -0.850 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 1 . 107 . 1 1 9 CYS HB3 H -1.740 1.540 0.153 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 108 . 1 1 9 CYS N N 1.043 1.931 -1.717 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 1 . 109 . 1 1 9 CYS O O -1.762 1.931 -2.868 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 1 . 110 . 1 1 9 CYS SG S 0.193 2.184 1.390 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 1 . 111 . 1 1 10 HIS C C -3.422 -1.312 -3.318 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 1 . 112 . 1 1 10 HIS CA C -2.177 -0.622 -3.868 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 1 . 113 . 1 1 10 HIS CB C -1.477 -1.533 -4.876 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 1 . 114 . 1 1 10 HIS CD2 C 0.039 -3.245 -3.650 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 1 . 115 . 1 1 10 HIS CE1 C -1.270 -4.997 -3.801 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 1 . 116 . 1 1 10 HIS CG C -1.080 -2.861 -4.307 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 1 . 117 . 1 1 10 HIS H H -0.734 -0.964 -2.357 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 1 . 118 . 1 1 10 HIS HA H -2.476 0.288 -4.365 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 1 . 119 . 1 1 10 HIS HB3 H -0.582 -1.044 -5.232 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 120 . 1 1 10 HIS HD1 H -2.764 -4.026 -4.808 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 1 . 121 . 1 1 10 HIS HD2 H 0.886 -2.621 -3.408 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 1 . 122 . 1 1 10 HIS HE1 H -1.659 -6.001 -3.709 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 1 . 123 . 1 1 10 HIS N N -1.263 -0.262 -2.788 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 1 . 124 . 1 1 10 HIS ND1 N -1.881 -3.982 -4.387 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 1 . 125 . 1 1 10 HIS NE2 N -0.103 -4.576 -3.346 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 1 . 126 . 1 1 10 HIS O O -4.003 -2.180 -3.971 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 1 . 127 . 1 1 11 . C C -5.132 -1.023 -0.034 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 1 . 128 . 1 1 11 . CA C -5.003 -1.502 -1.477 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 1 . 129 . 1 1 11 . CB C -6.265 -1.141 -2.263 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 1 . 130 . 1 1 11 . CD1 C -6.268 0.423 -4.224 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 1 . 131 . 1 1 11 . CD2 C -6.158 1.355 -2.033 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 1 . 132 . 1 1 11 . CE1 C -6.236 1.692 -4.771 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 1 . 133 . 1 1 11 . CE2 C -6.125 2.627 -2.573 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 1 . 134 . 1 1 11 . CG C -6.229 0.240 -2.852 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 1 . 135 . 1 1 11 . CZ C -6.165 2.795 -3.943 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 1 . 136 . 1 1 11 . H H -3.322 -0.225 -1.643 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 1 . 137 . 1 1 11 . HA H -4.883 -2.574 -1.478 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 1 . 138 . 1 1 11 . HB2 H -7.119 -1.198 -1.604 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 1 . 139 . 1 1 11 . HB3 H -6.391 -1.845 -3.071 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 140 . 1 1 11 . HD1 H -6.324 -0.441 -4.873 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 1 . 141 . 1 1 11 . HD2 H -6.127 1.225 -0.961 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 1 . 142 . 1 1 11 . HE1 H -6.268 1.820 -5.841 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 1 . 143 . 1 1 11 . HE2 H -6.070 3.488 -1.924 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 1 . 144 . 1 1 11 . HZ H -6.139 3.789 -4.367 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 1 . 145 . 1 1 11 . N N -3.826 -0.921 -2.114 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 1 . 146 . 1 1 11 . O O -4.632 0.044 0.323 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 1 . 147 . 1 1 12 MMO C C -5.783 -2.696 3.085 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 1 . 148 . 1 1 12 MMO CA C -6.002 -1.478 2.193 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 1 . 149 . 1 1 12 MMO CB C -7.407 -0.917 2.412 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 1 . 150 . 1 1 12 MMO CD C -8.906 1.100 2.386 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 1 . 151 . 1 1 12 MMO CG C -7.569 0.522 1.951 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 1 . 152 . 1 1 12 MMO CN C -6.368 -3.075 0.272 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 1 . 153 . 1 1 12 MMO CZ C -11.293 0.522 2.271 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 1 . 154 . 1 1 12 MMO HA H -5.277 -0.721 2.455 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 1 . 155 . 1 1 12 MMO HC1 H -5.559 -3.727 -0.060 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 1 . 156 . 1 1 12 MMO HC2 H -7.026 -2.858 -0.568 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 1 . 157 . 1 1 12 MMO HC3 H -6.934 -3.572 1.060 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 1 . 158 . 1 1 12 MMO HCB1 H -8.115 -1.526 1.869 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 1 . 159 . 1 1 12 MMO HCB2 H -7.640 -0.964 3.466 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 1 . 160 . 1 1 12 MMO HCD1 H -8.911 1.195 3.460 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 1 . 161 . 1 1 12 MMO HCD2 H -9.024 2.075 1.938 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 1 . 162 . 1 1 12 MMO HCG1 H -6.777 1.118 2.379 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 1 . 163 . 1 1 12 MMO HCG2 H -7.506 0.554 0.875 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 1 . 164 . 1 1 12 MMO HH11 H -12.028 -1.116 1.341 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 1 . 165 . 1 1 12 MMO HH12 H -13.211 -0.094 2.087 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 1 . 166 . 1 1 12 MMO HH21 H -10.878 2.227 3.273 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 1 . 167 . 1 1 12 MMO HH22 H -12.557 1.808 3.185 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 1 . 168 . 1 1 12 MMO N N -5.806 -1.819 0.789 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 1 . 169 . 1 1 12 MMO NE N -10.026 0.254 1.979 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 1 . 170 . 1 1 12 MMO NH1 N -12.257 -0.296 1.867 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 1 . 171 . 1 1 12 MMO NH2 N -11.602 1.607 2.967 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 1 . 172 . 1 1 12 MMO O O -6.738 -3.334 3.526 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 1 . 173 . 1 1 13 . C C -2.250 -3.142 2.413 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 1 . 174 . 1 1 13 . CA C -3.410 -2.234 2.806 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 1 . 175 . 1 1 13 . CB C -2.941 -1.200 3.831 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 1 . 176 . 1 1 13 . CD1 C -4.628 -1.299 5.757 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 1 . 177 . 1 1 13 . CD2 C -4.708 0.592 4.559 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 1 . 178 . 1 1 13 . CE2 C -5.678 0.663 5.578 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 1 . 179 . 1 1 13 . CE3 C -4.573 1.669 3.681 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 1 . 180 . 1 1 13 . CG C -4.048 -0.672 4.692 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 1 . 181 . 1 1 13 . CH2 C -6.354 2.810 4.865 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 1 . 182 . 1 1 13 . CN2 C -4.233 -4.175 4.197 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 1 . 183 . 1 1 13 . CZ2 C -6.508 1.770 5.739 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 1 . 184 . 1 1 13 . CZ3 C -5.397 2.767 3.842 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 1 . 185 . 1 1 13 . HA H -3.765 -1.720 1.926 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 1 . 186 . 1 1 13 . HB2 H -2.202 -1.653 4.477 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 1 . 187 . 1 1 13 . HB3 H -2.494 -0.365 3.310 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 188 . 1 1 13 . HD1 H -4.348 -2.280 6.113 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 1 . 189 . 1 1 13 . HE1 H -6.169 -0.731 7.067 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 1 . 190 . 1 1 13 . HE3 H -3.842 1.655 2.886 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 1 . 191 . 1 1 13 . HH2 H -6.976 3.688 4.954 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 1 . 192 . 1 1 13 . HN1 H -3.910 -5.011 3.577 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 1 . 193 . 1 1 13 . HN2 H -5.132 -4.456 4.746 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 1 . 194 . 1 1 13 . HN3 H -3.441 -3.921 4.904 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 1 . 195 . 1 1 13 . HZ2 H -7.249 1.819 6.523 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 1 . 196 . 1 1 13 . HZ3 H -5.308 3.609 3.172 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 1 . 197 . 1 1 13 . N N -4.519 -3.012 3.345 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 1 . 198 . 1 1 13 . NE1 N -5.609 -0.502 6.295 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 1 . 199 . 1 1 13 . O O -1.467 -3.568 3.263 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 1 . 200 . 1 1 14 ARG C C 0.159 -3.470 0.263 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 1 . 201 . 1 1 14 ARG CA C -1.079 -4.290 0.615 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 1 . 202 . 1 1 14 ARG CB C -1.558 -5.064 -0.614 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 1 . 203 . 1 1 14 ARG CD C -2.503 -7.281 -1.327 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 1 . 204 . 1 1 14 ARG CG C -2.549 -6.169 -0.291 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 1 . 205 . 1 1 14 ARG CZ C -0.674 -8.691 -0.482 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 1 . 206 . 1 1 14 ARG H H -2.798 -3.062 0.492 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 1 . 207 . 1 1 14 ARG HA H -0.820 -4.993 1.393 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 1 . 208 . 1 1 14 ARG HB3 H -0.702 -5.510 -1.101 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 1 . 209 . 1 1 14 ARG HD3 H -2.765 -6.869 -2.289 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 1 . 210 . 1 1 14 ARG HE H -0.641 -7.693 -2.209 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 1 . 211 . 1 1 14 ARG HG3 H -3.545 -5.751 -0.269 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 1 . 212 . 1 1 14 ARG HH11 H -2.293 -8.589 0.721 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 1 . 213 . 1 1 14 ARG HH12 H -0.996 -9.580 1.303 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 1 . 214 . 1 1 14 ARG HH21 H 1.073 -8.994 -1.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 1 . 215 . 1 1 14 ARG HH22 H 0.918 -9.808 0.067 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 1 . 216 . 1 1 14 ARG N N -2.143 -3.432 1.120 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 1 . 217 . 1 1 14 ARG NE N -1.180 -7.890 -1.416 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 1 . 218 . 1 1 14 ARG NH1 N -1.379 -8.977 0.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 1 . 219 . 1 1 14 ARG NH2 N 0.538 -9.207 -0.636 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 1 . 220 . 1 1 14 ARG O O 0.689 -3.571 -0.843 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 2 . 221 . 1 1 1 CYS C C 3.362 -2.379 0.546 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 2 . 222 . 1 1 1 CYS CA C 1.961 -1.805 0.736 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 2 . 223 . 1 1 1 CYS CB C 1.970 -0.775 1.868 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 2 . 224 . 1 1 1 CYS H1 H 1.105 -3.394 1.843 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 2 . 225 . 1 1 1 CYS HA H 1.657 -1.320 -0.177 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 2 . 226 . 1 1 1 CYS HB3 H 2.753 -0.057 1.684 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 227 . 1 1 1 CYS N N 1.001 -2.865 1.025 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 2 . 228 . 1 1 1 CYS O O 3.658 -3.491 0.985 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 2 . 229 . 1 1 1 CYS SG S 0.405 0.141 2.051 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 2 . 230 . 1 1 2 THR C C 6.516 -1.639 0.782 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 2 . 231 . 1 1 2 THR CA C 5.594 -2.040 -0.363 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 2 . 232 . 1 1 2 THR CB C 6.138 -1.446 -1.677 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 2 . 233 . 1 1 2 THR CG2 C 6.542 0.007 -1.486 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 2 . 234 . 1 1 2 THR H H 3.931 -0.734 -0.439 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 2 . 235 . 1 1 2 THR HA H 5.595 -3.118 -0.453 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 2 . 236 . 1 1 2 THR HB H 5.361 -1.495 -2.425 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 2 . 237 . 1 1 2 THR HG1 H 7.249 -2.268 -3.084 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 2 . 238 . 1 1 2 THR HG21 H 6.328 0.562 -2.389 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 2 . 239 . 1 1 2 THR HG22 H 7.598 0.063 -1.270 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 2 . 240 . 1 1 2 THR HG23 H 5.984 0.431 -0.665 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 2 . 241 . 1 1 2 THR N N 4.225 -1.611 -0.114 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 2 . 242 . 1 1 2 THR O O 6.057 -1.176 1.827 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 2 . 243 . 1 1 2 THR OG1 O 7.268 -2.205 -2.127 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 2 . 244 . 1 1 3 ALA C C 9.736 -0.370 1.103 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 2 . 245 . 1 1 3 ALA CA C 8.803 -1.471 1.597 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 2 . 246 . 1 1 3 ALA CB C 9.602 -2.702 1.999 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 2 . 247 . 1 1 3 ALA H H 8.122 -2.190 -0.273 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 2 . 248 . 1 1 3 ALA HA H 8.273 -1.116 2.469 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 2 . 249 . 1 1 3 ALA HB1 H 8.983 -3.350 2.602 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 2 . 250 . 1 1 3 ALA HB2 H 9.920 -3.230 1.112 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 2 . 251 . 1 1 3 ALA HB3 H 10.468 -2.398 2.568 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 252 . 1 1 3 ALA N N 7.817 -1.817 0.581 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 2 . 253 . 1 1 3 ALA O O 10.371 0.322 1.900 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 2 . 254 . 1 1 4 SER C C 10.319 2.191 -0.289 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 2 . 255 . 1 1 4 SER CA C 10.672 0.803 -0.813 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 2 . 256 . 1 1 4 SER CB C 10.545 0.772 -2.337 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 2 . 257 . 1 1 4 SER H H 9.281 -0.794 -0.796 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 2 . 258 . 1 1 4 SER HA H 11.692 0.576 -0.541 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 2 . 259 . 1 1 4 SER HB3 H 11.273 1.446 -2.769 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 260 . 1 1 4 SER HG H 10.073 -0.764 -3.458 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 2 . 261 . 1 1 4 SER N N 9.813 -0.212 -0.214 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 2 . 262 . 1 1 4 SER O O 9.411 2.346 0.527 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 2 . 263 . 1 1 4 SER OG O 10.773 -0.532 -2.843 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 2 . 264 . 1 1 5 ILE C C 10.825 5.522 -1.540 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 2 . 265 . 1 1 5 ILE CA C 10.809 4.573 -0.346 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 2 . 266 . 1 1 5 ILE CB C 11.861 5.038 0.679 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 2 . 267 . 1 1 5 ILE CD1 C 10.602 6.384 2.434 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 2 . 268 . 1 1 5 ILE CG1 C 11.503 6.423 1.219 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 2 . 269 . 1 1 5 ILE CG2 C 13.245 5.051 0.048 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 2 . 270 . 1 1 5 ILE H H 11.756 3.011 -1.413 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 2 . 271 . 1 1 5 ILE HA H 9.837 4.617 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 2 . 272 . 1 1 5 ILE HB H 11.872 4.333 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 2 . 273 . 1 1 5 ILE HD11 H 9.803 7.102 2.313 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 2 . 274 . 1 1 5 ILE HD12 H 10.185 5.394 2.542 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 2 . 275 . 1 1 5 ILE HD13 H 11.176 6.631 3.316 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 2 . 276 . 1 1 5 ILE HG13 H 10.994 6.982 0.445 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 2 . 277 . 1 1 5 ILE HG21 H 13.254 4.401 -0.814 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 2 . 278 . 1 1 5 ILE HG22 H 13.491 6.057 -0.259 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 2 . 279 . 1 1 5 ILE HG23 H 13.973 4.707 0.767 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 2 . 280 . 1 1 5 ILE N N 11.045 3.198 -0.765 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 2 . 281 . 1 1 5 ILE O O 11.741 5.509 -2.363 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 2 . 282 . 1 1 6 PRO C C 7.814 5.150 -0.749 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 2 . 283 . 1 1 6 PRO CA C 8.694 6.394 -0.663 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 2 . 284 . 1 1 6 PRO CB C 7.898 7.641 -1.057 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 2 . 285 . 1 1 6 PRO CD C 9.607 7.366 -2.705 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 2 . 286 . 1 1 6 PRO CG C 8.193 7.838 -2.503 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 2 . 287 . 1 1 6 PRO HA H 9.062 6.503 0.346 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 2 . 288 . 1 1 6 PRO HB3 H 8.228 8.482 -0.467 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 289 . 1 1 6 PRO HD3 H 10.300 8.186 -2.587 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 2 . 290 . 1 1 6 PRO HG3 H 8.109 8.884 -2.755 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 2 . 291 . 1 1 6 PRO N N 9.789 6.368 -1.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 2 . 292 . 1 1 6 PRO O O 7.806 4.434 -1.750 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 2 . 293 . 1 1 7 PRO C C 4.959 3.870 -0.541 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 2 . 294 . 1 1 7 PRO CA C 6.156 3.731 0.393 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 2 . 295 . 1 1 7 PRO CB C 5.696 3.726 1.854 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 2 . 296 . 1 1 7 PRO CD C 7.013 5.697 1.553 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 2 . 297 . 1 1 7 PRO CG C 5.832 5.142 2.299 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 2 . 298 . 1 1 7 PRO HA H 6.677 2.810 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 2 . 299 . 1 1 7 PRO HB3 H 6.327 3.069 2.431 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 300 . 1 1 7 PRO HD3 H 7.917 5.570 2.129 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 2 . 301 . 1 1 7 PRO HG3 H 6.011 5.176 3.362 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 2 . 302 . 1 1 7 PRO N N 7.055 4.887 0.324 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 2 . 303 . 1 1 7 PRO O O 4.626 4.971 -0.979 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 2 . 304 . 1 1 8 ILE C C 2.072 1.803 -1.206 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 2 . 305 . 1 1 8 ILE CA C 3.156 2.745 -1.725 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 2 . 306 . 1 1 8 ILE CB C 3.538 2.329 -3.157 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 2 . 307 . 1 1 8 ILE CD1 C 4.160 0.320 -4.590 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 2 . 308 . 1 1 8 ILE CG1 C 3.602 0.806 -3.271 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 2 . 309 . 1 1 8 ILE CG2 C 4.869 2.952 -3.551 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 2 . 310 . 1 1 8 ILE H H 4.629 1.899 -0.462 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 2 . 311 . 1 1 8 ILE HA H 2.759 3.750 -1.755 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 2 . 312 . 1 1 8 ILE HB H 2.781 2.701 -3.830 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 2 . 313 . 1 1 8 ILE HD11 H 3.528 -0.463 -4.983 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 2 . 314 . 1 1 8 ILE HD12 H 4.197 1.141 -5.290 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 2 . 315 . 1 1 8 ILE HD13 H 5.158 -0.068 -4.439 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 2 . 316 . 1 1 8 ILE HG13 H 2.605 0.402 -3.162 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 2 . 317 . 1 1 8 ILE HG21 H 4.947 2.984 -4.629 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 2 . 318 . 1 1 8 ILE HG22 H 4.928 3.956 -3.158 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 2 . 319 . 1 1 8 ILE HG23 H 5.676 2.360 -3.149 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 2 . 320 . 1 1 8 ILE N N 4.316 2.746 -0.843 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 2 . 321 . 1 1 8 ILE O O 2.363 0.828 -0.512 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 2 . 322 . 1 1 9 CYS C C -1.263 1.029 -2.280 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 2 . 323 . 1 1 9 CYS CA C -0.302 1.280 -1.122 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 2 . 324 . 1 1 9 CYS CB C -1.044 1.959 0.032 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 2 . 325 . 1 1 9 CYS H H 0.656 2.891 -2.106 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 2 . 326 . 1 1 9 CYS HA H 0.086 0.333 -0.781 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 2 . 327 . 1 1 9 CYS HB3 H -1.955 1.414 0.234 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 328 . 1 1 9 CYS N N 0.824 2.100 -1.551 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 2 . 329 . 1 1 9 CYS O O -1.963 1.937 -2.731 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 2 . 330 . 1 1 9 CYS SG S -0.090 2.041 1.583 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 2 . 331 . 1 1 10 HIS C C -3.399 -1.330 -3.356 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 2 . 332 . 1 1 10 HIS CA C -2.169 -0.582 -3.864 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 2 . 333 . 1 1 10 HIS CB C -1.413 -1.448 -4.873 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 2 . 334 . 1 1 10 HIS CD2 C -1.464 -3.735 -3.648 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 2 . 335 . 1 1 10 HIS CE1 C 0.682 -4.179 -3.712 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 2 . 336 . 1 1 10 HIS CG C -0.853 -2.707 -4.282 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 2 . 337 . 1 1 10 HIS H H -0.713 -0.892 -2.359 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 2 . 338 . 1 1 10 HIS HA H -2.491 0.325 -4.352 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 2 . 339 . 1 1 10 HIS HB3 H -0.590 -0.878 -5.282 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 340 . 1 1 10 HIS HD1 H 1.198 -2.464 -4.698 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 2 . 341 . 1 1 10 HIS HD2 H -2.521 -3.828 -3.450 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 2 . 342 . 1 1 10 HIS HE1 H 1.634 -4.675 -3.582 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 2 . 343 . 1 1 10 HIS N N -1.293 -0.211 -2.758 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 2 . 344 . 1 1 10 HIS ND1 N 0.490 -3.015 -4.304 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 2 . 345 . 1 1 10 HIS NE2 N -0.487 -4.638 -3.304 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 2 . 346 . 1 1 10 HIS O O -3.982 -2.146 -4.070 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 2 . 347 . 1 1 11 . C C -5.163 -1.196 -0.087 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 2 . 348 . 1 1 11 . CA C -4.946 -1.692 -1.513 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 2 . 349 . 1 1 11 . CB C -6.198 -1.428 -2.353 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 2 . 350 . 1 1 11 . CD1 C -6.224 0.096 -4.345 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 2 . 351 . 1 1 11 . CD2 C -6.260 1.073 -2.171 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 2 . 352 . 1 1 11 . CE1 C -6.253 1.355 -4.915 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 2 . 353 . 1 1 11 . CE2 C -6.287 2.335 -2.735 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 2 . 354 . 1 1 11 . CG C -6.229 -0.059 -2.968 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 2 . 355 . 1 1 11 . CZ C -6.284 2.476 -4.108 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 2 . 356 . 1 1 11 . H H -3.281 -0.389 -1.596 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 2 . 357 . 1 1 11 . HA H -4.757 -2.754 -1.487 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 2 . 358 . 1 1 11 . HB2 H -7.070 -1.528 -1.725 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 2 . 359 . 1 1 11 . HB3 H -6.247 -2.153 -3.151 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 360 . 1 1 11 . HD1 H -6.200 -0.779 -4.978 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 2 . 361 . 1 1 11 . HD2 H -6.262 0.964 -1.096 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 2 . 362 . 1 1 11 . HE1 H -6.250 1.462 -5.989 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 2 . 363 . 1 1 11 . HE2 H -6.312 3.209 -2.102 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 2 . 364 . 1 1 11 . HZ H -6.307 3.461 -4.551 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 2 . 365 . 1 1 11 . N N -3.787 -1.047 -2.116 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 2 . 366 . 1 1 11 . O O -4.748 -0.092 0.268 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 2 . 367 . 1 1 12 MMO C C -5.829 -2.854 3.039 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 2 . 368 . 1 1 12 MMO CA C -6.086 -1.667 2.116 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 2 . 369 . 1 1 12 MMO CB C -7.532 -1.191 2.270 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 2 . 370 . 1 1 12 MMO CD C -9.082 0.780 2.432 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 2 . 371 . 1 1 12 MMO CG C -7.723 0.285 1.963 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 2 . 372 . 1 1 12 MMO CN C -6.273 -3.320 0.216 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 2 . 373 . 1 1 12 MMO CZ C -10.483 0.620 4.447 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 2 . 374 . 1 1 12 MMO HA H -5.420 -0.861 2.389 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 2 . 375 . 1 1 12 MMO HC1 H -6.911 -3.164 -0.654 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 2 . 376 . 1 1 12 MMO HC2 H -6.838 -3.836 0.992 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 2 . 377 . 1 1 12 MMO HC3 H -5.411 -3.923 -0.068 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 2 . 378 . 1 1 12 MMO HCB1 H -8.159 -1.760 1.600 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 2 . 379 . 1 1 12 MMO HCB2 H -7.850 -1.369 3.287 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 2 . 380 . 1 1 12 MMO HCD1 H -9.143 1.844 2.257 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 2 . 381 . 1 1 12 MMO HCD2 H -9.849 0.278 1.862 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 2 . 382 . 1 1 12 MMO HCG1 H -6.953 0.851 2.465 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 2 . 383 . 1 1 12 MMO HCG2 H -7.644 0.434 0.896 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 2 . 384 . 1 1 12 MMO HH11 H -9.796 0.103 6.275 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 2 . 385 . 1 1 12 MMO HH12 H -11.490 0.445 6.190 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 2 . 386 . 1 1 12 MMO HH21 H -11.467 1.162 2.767 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 2 . 387 . 1 1 12 MMO HH22 H -12.442 1.045 4.194 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 2 . 388 . 1 1 12 MMO N N -5.814 -2.021 0.727 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 2 . 389 . 1 1 12 MMO NE N -9.298 0.521 3.853 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 2 . 390 . 1 1 12 MMO NH1 N -10.599 0.369 5.743 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 2 . 391 . 1 1 12 MMO NH2 N -11.551 0.972 3.744 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 2 . 392 . 1 1 12 MMO O O -6.762 -3.536 3.463 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 2 . 393 . 1 1 13 . C C -2.267 -3.117 2.459 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 2 . 394 . 1 1 13 . CA C -3.478 -2.265 2.825 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 2 . 395 . 1 1 13 . CB C -3.079 -1.207 3.854 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 2 . 396 . 1 1 13 . CD1 C -4.877 -1.278 5.679 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 2 . 397 . 1 1 13 . CD2 C -4.902 0.583 4.433 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 2 . 398 . 1 1 13 . CE2 C -5.932 0.670 5.391 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 2 . 399 . 1 1 13 . CE3 C -4.725 1.642 3.538 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 2 . 400 . 1 1 13 . CG C -4.240 -0.670 4.636 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 2 . 401 . 1 1 13 . CH2 C -6.583 2.792 4.586 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 2 . 402 . 1 1 13 . CN2 C -4.236 -4.222 4.231 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 2 . 403 . 1 1 13 . CZ2 C -6.779 1.771 5.476 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 2 . 404 . 1 1 13 . CZ3 C -5.568 2.733 3.623 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 2 . 405 . 1 1 13 . HA H -3.839 -1.771 1.935 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 2 . 406 . 1 1 13 . HB2 H -2.379 -1.639 4.554 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 2 . 407 . 1 1 13 . HB3 H -2.608 -0.378 3.344 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 408 . 1 1 13 . HD1 H -4.608 -2.246 6.074 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 2 . 409 . 1 1 13 . HE1 H -6.498 -0.695 6.881 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 2 . 410 . 1 1 13 . HE3 H -3.948 1.615 2.789 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 2 . 411 . 1 1 13 . HH2 H -7.219 3.665 4.615 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 2 . 412 . 1 1 13 . HN1 H -3.378 -3.964 4.851 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 2 . 413 . 1 1 13 . HN2 H -3.999 -5.099 3.630 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 2 . 414 . 1 1 13 . HN3 H -5.094 -4.440 4.868 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 2 . 415 . 1 1 13 . HZ2 H -7.567 1.831 6.213 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 2 . 416 . 1 1 13 . HZ3 H -5.446 3.561 2.939 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 2 . 417 . 1 1 13 . N N -4.559 -3.094 3.345 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 2 . 418 . 1 1 13 . NE1 N -5.895 -0.478 6.138 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 2 . 419 . 1 1 13 . O O -1.480 -3.497 3.323 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 2 . 420 . 1 1 14 ARG C C 0.110 -3.334 0.151 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 2 . 421 . 1 1 14 ARG CA C -1.011 -4.219 0.690 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 2 . 422 . 1 1 14 ARG CB C -1.485 -5.182 -0.401 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 2 . 423 . 1 1 14 ARG CD C -1.229 -7.473 0.600 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 2 . 424 . 1 1 14 ARG CG C -2.208 -6.405 0.137 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 2 . 425 . 1 1 14 ARG CZ C 0.169 -9.238 -0.387 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 2 . 426 . 1 1 14 ARG H H -2.787 -3.080 0.528 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 2 . 427 . 1 1 14 ARG HA H -0.632 -4.792 1.523 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 2 . 428 . 1 1 14 ARG HB3 H -0.627 -5.517 -0.965 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 2 . 429 . 1 1 14 ARG HD3 H -1.710 -8.080 1.352 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 2 . 430 . 1 1 14 ARG HE H -1.247 -8.226 -1.361 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 2 . 431 . 1 1 14 ARG HG3 H -2.831 -6.815 -0.643 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 2 . 432 . 1 1 14 ARG HH11 H 0.544 -8.843 1.560 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 2 . 433 . 1 1 14 ARG HH12 H 1.522 -10.085 0.852 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 2 . 434 . 1 1 14 ARG HH21 H 0.036 -9.859 -2.304 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 2 . 435 . 1 1 14 ARG HH22 H 1.235 -10.661 -1.347 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 2 . 436 . 1 1 14 ARG N N -2.126 -3.412 1.171 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 2 . 437 . 1 1 14 ARG NE N -0.796 -8.331 -0.498 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 2 . 438 . 1 1 14 ARG NH1 N 0.798 -9.402 0.770 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 2 . 439 . 1 1 14 ARG NH2 N 0.508 -9.980 -1.432 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 2 . 440 . 1 1 14 ARG O O 0.216 -3.116 -1.056 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 3 . 441 . 1 1 1 CYS C C 3.412 -2.799 -0.458 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 3 . 442 . 1 1 1 CYS CA C 2.221 -1.954 -0.009 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 3 . 443 . 1 1 1 CYS CB C 2.686 -0.890 0.987 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 3 . 444 . 1 1 1 CYS H1 H 1.291 -3.083 1.521 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 3 . 445 . 1 1 1 CYS HA H 1.795 -1.466 -0.871 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 3 . 446 . 1 1 1 CYS HB3 H 3.265 -0.145 0.461 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 447 . 1 1 1 CYS N N 1.189 -2.790 0.591 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 3 . 448 . 1 1 1 CYS O O 3.547 -3.959 -0.071 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 3 . 449 . 1 1 1 CYS SG S 1.329 -0.035 1.849 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 3 . 450 . 1 1 2 THR C C 6.683 -2.569 -0.955 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 3 . 451 . 1 1 2 THR CA C 5.449 -2.903 -1.786 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 3 . 452 . 1 1 2 THR CB C 5.724 -2.548 -3.259 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 3 . 453 . 1 1 2 THR CG2 C 6.170 -1.099 -3.393 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 3 . 454 . 1 1 2 THR H H 4.110 -1.280 -1.555 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 3 . 455 . 1 1 2 THR HA H 5.261 -3.965 -1.722 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 3 . 456 . 1 1 2 THR HB H 4.811 -2.681 -3.822 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 3 . 457 . 1 1 2 THR HG1 H 6.387 -4.308 -3.854 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 3 . 458 . 1 1 2 THR HG21 H 5.785 -0.687 -4.314 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 3 . 459 . 1 1 2 THR HG22 H 7.249 -1.056 -3.401 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 3 . 460 . 1 1 2 THR HG23 H 5.793 -0.529 -2.557 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 3 . 461 . 1 1 2 THR N N 4.273 -2.208 -1.282 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 3 . 462 . 1 1 2 THR O O 7.812 -2.809 -1.381 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 3 . 463 . 1 1 2 THR OG1 O 6.731 -3.414 -3.792 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 3 . 464 . 1 1 3 ALA C C 8.637 -0.880 0.376 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 3 . 465 . 1 1 3 ALA CA C 7.553 -1.652 1.123 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 3 . 466 . 1 1 3 ALA CB C 8.142 -2.896 1.772 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 3 . 467 . 1 1 3 ALA H H 5.537 -1.850 0.516 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 3 . 468 . 1 1 3 ALA HA H 7.153 -1.023 1.906 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 3 . 469 . 1 1 3 ALA HB1 H 9.082 -2.646 2.241 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 3 . 470 . 1 1 3 ALA HB2 H 7.456 -3.273 2.517 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 3 . 471 . 1 1 3 ALA HB3 H 8.307 -3.651 1.018 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 472 . 1 1 3 ALA N N 6.460 -2.016 0.232 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 3 . 473 . 1 1 3 ALA O O 9.776 -1.337 0.270 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 3 . 474 . 1 1 4 SER C C 9.457 2.443 -0.157 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 3 . 475 . 1 1 4 SER CA C 9.214 1.122 -0.881 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 3 . 476 . 1 1 4 SER CB C 8.687 1.390 -2.292 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 3 . 477 . 1 1 4 SER H H 7.351 0.598 -0.022 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 3 . 478 . 1 1 4 SER HA H 10.148 0.585 -0.952 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 3 . 479 . 1 1 4 SER HB3 H 7.842 2.061 -2.236 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 480 . 1 1 4 SER HG H 9.700 1.548 -3.961 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 3 . 481 . 1 1 4 SER N N 8.274 0.290 -0.140 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 3 . 482 . 1 1 4 SER O O 8.914 2.681 0.922 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 3 . 483 . 1 1 4 SER OG O 9.685 1.982 -3.106 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 3 . 484 . 1 1 5 ILE C C 10.635 5.684 -1.238 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 3 . 485 . 1 1 5 ILE CA C 10.595 4.594 -0.173 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 3 . 486 . 1 1 5 ILE CB C 11.945 4.564 0.566 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 3 . 487 . 1 1 5 ILE CD1 C 10.897 3.825 2.766 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 3 . 488 . 1 1 5 ILE CG1 C 11.914 3.522 1.688 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 3 . 489 . 1 1 5 ILE CG2 C 12.274 5.940 1.124 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 3 . 490 . 1 1 5 ILE H H 10.681 3.049 -1.617 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 3 . 491 . 1 1 5 ILE HA H 9.820 4.833 0.543 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 3 . 492 . 1 1 5 ILE HB H 12.714 4.296 -0.143 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 3 . 493 . 1 1 5 ILE HD11 H 10.210 2.996 2.856 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 3 . 494 . 1 1 5 ILE HD12 H 11.404 3.980 3.707 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 3 . 495 . 1 1 5 ILE HD13 H 10.349 4.718 2.503 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 3 . 496 . 1 1 5 ILE HG13 H 12.888 3.477 2.153 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 3 . 497 . 1 1 5 ILE HG21 H 12.876 6.483 0.410 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 3 . 498 . 1 1 5 ILE HG22 H 11.359 6.483 1.307 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 3 . 499 . 1 1 5 ILE HG23 H 12.822 5.833 2.049 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 3 . 500 . 1 1 5 ILE N N 10.279 3.297 -0.758 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 3 . 501 . 1 1 5 ILE O O 11.597 5.809 -1.996 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 3 . 502 . 1 1 6 PRO C C 7.604 5.095 -0.695 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 3 . 503 . 1 1 6 PRO CA C 8.415 6.352 -0.401 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 3 . 504 . 1 1 6 PRO CB C 7.586 7.605 -0.690 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 3 . 505 . 1 1 6 PRO CD C 9.400 7.607 -2.247 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 3 . 506 . 1 1 6 PRO CG C 7.956 7.992 -2.080 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 3 . 507 . 1 1 6 PRO HA H 8.718 6.349 0.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 3 . 508 . 1 1 6 PRO HB3 H 7.839 8.379 0.017 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 509 . 1 1 6 PRO HD3 H 10.044 8.433 -1.986 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 3 . 510 . 1 1 6 PRO HG3 H 7.836 9.059 -2.207 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 3 . 511 . 1 1 6 PRO N N 9.566 6.492 -1.299 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 3 . 512 . 1 1 6 PRO O O 7.507 4.639 -1.835 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 3 . 513 . 1 1 7 PRO C C 4.874 3.563 -0.497 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 3 . 514 . 1 1 7 PRO CA C 6.185 3.307 0.237 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 3 . 515 . 1 1 7 PRO CB C 5.916 2.916 1.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 3 . 516 . 1 1 7 PRO CD C 7.072 5.007 1.744 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 3 . 517 . 1 1 7 PRO CG C 6.028 4.190 2.455 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 3 . 518 . 1 1 7 PRO HA H 6.725 2.513 -0.257 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 3 . 519 . 1 1 7 PRO HB3 H 6.652 2.196 2.017 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 520 . 1 1 7 PRO HD3 H 8.048 4.823 2.169 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 3 . 521 . 1 1 7 PRO HG3 H 6.338 3.985 3.469 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 3 . 522 . 1 1 7 PRO N N 7.002 4.520 0.357 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 3 . 523 . 1 1 7 PRO O O 4.211 4.575 -0.268 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 3 . 524 . 1 1 8 ILE C C 2.278 1.672 -1.769 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 3 . 525 . 1 1 8 ILE CA C 3.272 2.764 -2.146 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 3 . 526 . 1 1 8 ILE CB C 3.542 2.698 -3.661 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 3 . 527 . 1 1 8 ILE CD1 C 1.905 1.072 -4.738 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 3 . 528 . 1 1 8 ILE CG1 C 2.229 2.516 -4.427 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 3 . 529 . 1 1 8 ILE CG2 C 4.507 1.566 -3.977 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 3 . 530 . 1 1 8 ILE H H 5.078 1.856 -1.517 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 3 . 531 . 1 1 8 ILE HA H 2.836 3.727 -1.920 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 3 . 532 . 1 1 8 ILE HB H 4.002 3.626 -3.963 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 3 . 533 . 1 1 8 ILE HD11 H 2.449 0.762 -5.618 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 3 . 534 . 1 1 8 ILE HD12 H 2.188 0.451 -3.902 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 3 . 535 . 1 1 8 ILE HD13 H 0.845 0.972 -4.918 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 3 . 536 . 1 1 8 ILE HG13 H 2.291 3.054 -5.363 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 3 . 537 . 1 1 8 ILE HG21 H 4.506 1.380 -5.041 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 3 . 538 . 1 1 8 ILE HG22 H 5.502 1.842 -3.663 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 3 . 539 . 1 1 8 ILE HG23 H 4.198 0.672 -3.455 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 3 . 540 . 1 1 8 ILE N N 4.505 2.639 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 3 . 541 . 1 1 8 ILE O O 2.639 0.501 -1.654 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 3 . 542 . 1 1 9 CYS C C -1.031 0.956 -2.354 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 3 . 543 . 1 1 9 CYS CA C -0.028 1.117 -1.218 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 3 . 544 . 1 1 9 CYS CB C -0.747 1.584 0.050 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 3 . 545 . 1 1 9 CYS H H 0.794 3.011 -1.687 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 3 . 546 . 1 1 9 CYS HA H 0.437 0.162 -1.027 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 3 . 547 . 1 1 9 CYS HB3 H -1.569 0.913 0.255 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 548 . 1 1 9 CYS N N 1.022 2.062 -1.580 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 3 . 549 . 1 1 9 CYS O O -1.590 1.937 -2.847 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 3 . 550 . 1 1 9 CYS SG S 0.313 1.631 1.532 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 3 . 551 . 1 1 10 HIS C C -3.443 -1.269 -3.312 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 3 . 552 . 1 1 10 HIS CA C -2.193 -0.577 -3.848 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 3 . 553 . 1 1 10 HIS CB C -1.526 -1.454 -4.909 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 3 . 554 . 1 1 10 HIS CD2 C 0.280 -3.161 -4.167 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 3 . 555 . 1 1 10 HIS CE1 C -1.053 -4.786 -3.542 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 3 . 556 . 1 1 10 HIS CG C -0.992 -2.745 -4.370 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 3 . 557 . 1 1 10 HIS H H -0.779 -1.027 -2.337 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 3 . 558 . 1 1 10 HIS HA H -2.481 0.361 -4.298 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 3 . 559 . 1 1 10 HIS HB3 H -0.702 -0.912 -5.350 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 560 . 1 1 10 HIS HD1 H -2.782 -3.791 -3.994 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 3 . 561 . 1 1 10 HIS HD2 H 1.180 -2.597 -4.371 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 3 . 562 . 1 1 10 HIS HE1 H -1.413 -5.732 -3.167 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 3 . 563 . 1 1 10 HIS N N -1.255 -0.287 -2.769 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 3 . 564 . 1 1 10 HIS ND1 N -1.802 -3.786 -3.969 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 3 . 565 . 1 1 10 HIS NE2 N 0.216 -4.432 -3.652 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 3 . 566 . 1 1 10 HIS O O -4.082 -2.050 -4.015 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 3 . 567 . 1 1 11 . C C -5.108 -1.077 0.008 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 3 . 568 . 1 1 11 . CA C -4.955 -1.571 -1.429 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 3 . 569 . 1 1 11 . CB C -6.215 -1.239 -2.231 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 3 . 570 . 1 1 11 . CD1 C -6.218 0.327 -4.191 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 3 . 571 . 1 1 11 . CD2 C -6.184 1.260 -1.997 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 3 . 572 . 1 1 11 . CE1 C -6.211 1.597 -4.736 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 3 . 573 . 1 1 11 . CE2 C -6.175 2.533 -2.535 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 3 . 574 . 1 1 11 . CG C -6.207 0.143 -2.818 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 3 . 575 . 1 1 11 . CZ C -6.188 2.702 -3.906 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 3 . 576 . 1 1 11 . H H -3.233 -0.346 -1.549 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 3 . 577 . 1 1 11 . HA H -4.818 -2.640 -1.416 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 3 . 578 . 1 1 11 . HB2 H -7.076 -1.319 -1.584 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 3 . 579 . 1 1 11 . HB3 H -6.313 -1.945 -3.041 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 580 . 1 1 11 . HD1 H -6.236 -0.537 -4.842 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 3 . 581 . 1 1 11 . HD2 H -6.174 1.128 -0.925 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 3 . 582 . 1 1 11 . HE1 H -6.221 1.726 -5.808 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 3 . 583 . 1 1 11 . HE2 H -6.158 3.394 -1.884 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 3 . 584 . 1 1 11 . HZ H -6.180 3.695 -4.329 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 3 . 585 . 1 1 11 . N N -3.783 -0.977 -2.060 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 3 . 586 . 1 1 11 . O O -4.635 0.004 0.357 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 3 . 587 . 1 1 12 MMO C C -5.744 -2.725 3.140 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 3 . 588 . 1 1 12 MMO CA C -5.989 -1.524 2.231 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 3 . 589 . 1 1 12 MMO CB C -7.413 -1.000 2.434 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 3 . 590 . 1 1 12 MMO CD C -9.091 0.806 1.948 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 3 . 591 . 1 1 12 MMO CG C -7.623 0.409 1.907 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 3 . 592 . 1 1 12 MMO CN C -6.305 -3.151 0.327 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 3 . 593 . 1 1 12 MMO CZ C -11.087 0.457 0.557 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 3 . 594 . 1 1 12 MMO HA H -5.288 -0.744 2.488 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 3 . 595 . 1 1 12 MMO HC1 H -6.960 -2.960 -0.523 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 3 . 596 . 1 1 12 MMO HC2 H -6.869 -3.648 1.116 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 3 . 597 . 1 1 12 MMO HC3 H -5.479 -3.790 0.013 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 3 . 598 . 1 1 12 MMO HCB1 H -8.102 -1.657 1.924 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 3 . 599 . 1 1 12 MMO HCB2 H -7.637 -1.005 3.489 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 3 . 600 . 1 1 12 MMO HCD1 H -9.478 0.598 2.934 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 3 . 601 . 1 1 12 MMO HCD2 H -9.170 1.864 1.745 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 3 . 602 . 1 1 12 MMO HCG1 H -7.058 1.100 2.518 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 3 . 603 . 1 1 12 MMO HCG2 H -7.273 0.461 0.888 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 3 . 604 . 1 1 12 MMO HH11 H -11.334 -1.095 -0.716 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 3 . 605 . 1 1 12 MMO HH12 H -12.653 0.026 -0.647 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 3 . 606 . 1 1 12 MMO HH21 H -11.142 2.102 1.728 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 3 . 607 . 1 1 12 MMO HH22 H -12.545 1.844 0.742 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 3 . 608 . 1 1 12 MMO N N -5.773 -1.878 0.834 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 3 . 609 . 1 1 12 MMO NE N -9.882 0.073 0.962 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 3 . 610 . 1 1 12 MMO NH1 N -11.746 -0.263 -0.343 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 3 . 611 . 1 1 12 MMO NH2 N -11.638 1.557 1.049 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 3 . 612 . 1 1 12 MMO O O -6.685 -3.386 3.580 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 3 . 613 . 1 1 13 . C C -2.191 -3.071 2.514 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 3 . 614 . 1 1 13 . CA C -3.383 -2.195 2.880 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 3 . 615 . 1 1 13 . CB C -2.958 -1.133 3.896 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 3 . 616 . 1 1 13 . CD1 C -4.658 -1.267 5.808 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 3 . 617 . 1 1 13 . CD2 C -4.790 0.607 4.587 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 3 . 618 . 1 1 13 . CE2 C -5.771 0.657 5.598 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 3 . 619 . 1 1 13 . CE3 C -4.684 1.677 3.697 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 3 . 620 . 1 1 13 . CG C -4.090 -0.632 4.741 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 3 . 621 . 1 1 13 . CH2 C -6.512 2.773 4.852 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 3 . 622 . 1 1 13 . CN2 C -4.162 -4.144 4.287 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 3 . 623 . 1 1 13 . CZ2 C -6.639 1.737 5.738 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 3 . 624 . 1 1 13 . CZ3 C -5.546 2.749 3.838 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 3 . 625 . 1 1 13 . HA H -3.743 -1.704 1.988 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 3 . 626 . 1 1 13 . HB2 H -2.210 -1.551 4.553 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 3 . 627 . 1 1 13 . HB3 H -2.537 -0.290 3.367 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 628 . 1 1 13 . HD1 H -4.349 -2.233 6.177 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 3 . 629 . 1 1 13 . HE1 H -6.229 -0.736 7.097 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 3 . 630 . 1 1 13 . HE3 H -3.946 1.678 2.908 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 3 . 631 . 1 1 13 . HH2 H -7.164 3.630 4.924 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 3 . 632 . 1 1 13 . HN1 H -5.061 -4.451 4.820 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 3 . 633 . 1 1 13 . HN2 H -3.393 -3.856 5.004 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 3 . 634 . 1 1 13 . HN3 H -3.798 -4.973 3.678 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 3 . 635 . 1 1 13 . HZ2 H -7.389 1.771 6.515 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 3 . 636 . 1 1 13 . HZ3 H -5.479 3.586 3.159 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 3 . 637 . 1 1 13 . N N -4.474 -3.000 3.417 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 3 . 638 . 1 1 13 . NE1 N -5.671 -0.497 6.328 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 3 . 639 . 1 1 13 . O O -1.471 -3.556 3.388 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 3 . 640 . 1 1 14 ARG C C 0.113 -3.249 -0.062 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 3 . 641 . 1 1 14 ARG CA C -0.880 -4.091 0.733 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 3 . 642 . 1 1 14 ARG CB C -1.406 -5.234 -0.137 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 3 . 643 . 1 1 14 ARG CD C -2.438 -7.523 -0.232 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 3 . 644 . 1 1 14 ARG CG C -1.774 -6.479 0.653 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 3 . 645 . 1 1 14 ARG CZ C -3.151 -9.873 -0.101 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 3 . 646 . 1 1 14 ARG H H -2.593 -2.859 0.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 3 . 647 . 1 1 14 ARG HA H -0.377 -4.507 1.593 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 3 . 648 . 1 1 14 ARG HB3 H -0.646 -5.502 -0.856 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 3 . 649 . 1 1 14 ARG HD3 H -1.812 -7.695 -1.094 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 3 . 650 . 1 1 14 ARG HE H -2.378 -8.830 1.414 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 3 . 651 . 1 1 14 ARG HG3 H -2.455 -6.205 1.443 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 3 . 652 . 1 1 14 ARG HH11 H -3.399 -9.008 -1.910 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 3 . 653 . 1 1 14 ARG HH12 H -3.896 -10.665 -1.804 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 3 . 654 . 1 1 14 ARG HH21 H -3.030 -11.010 1.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 3 . 655 . 1 1 14 ARG HH22 H -3.688 -11.803 0.173 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 3 . 656 . 1 1 14 ARG N N -1.985 -3.272 1.215 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 3 . 657 . 1 1 14 ARG NE N -2.638 -8.788 0.470 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 3 . 658 . 1 1 14 ARG NH1 N -3.512 -9.847 -1.376 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 3 . 659 . 1 1 14 ARG NH2 N -3.301 -10.986 0.605 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 3 . 660 . 1 1 14 ARG O O -0.090 -2.983 -1.247 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 4 . 661 . 1 1 1 CYS C C 3.492 -2.763 -0.763 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 4 . 662 . 1 1 1 CYS CA C 2.591 -1.739 -0.079 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 4 . 663 . 1 1 1 CYS CB C 3.379 -0.985 0.993 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 4 . 664 . 1 1 1 CYS H1 H 1.376 -2.484 1.485 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 4 . 665 . 1 1 1 CYS HA H 2.241 -1.035 -0.819 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 4 . 666 . 1 1 1 CYS HB3 H 4.350 -0.723 0.599 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 667 . 1 1 1 CYS N N 1.425 -2.385 0.511 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 4 . 668 . 1 1 1 CYS O O 3.605 -3.905 -0.316 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 4 . 669 . 1 1 1 CYS SG S 2.580 0.550 1.562 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 4 . 670 . 1 1 2 THR C C 6.145 -2.435 -3.264 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 4 . 671 . 1 1 2 THR CA C 5.026 -3.225 -2.595 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 4 . 672 . 1 1 2 THR CB C 4.260 -4.019 -3.670 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 4 . 673 . 1 1 2 THR CG2 C 3.744 -3.094 -4.762 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 4 . 674 . 1 1 2 THR H H 4.005 -1.425 -2.156 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 4 . 675 . 1 1 2 THR HA H 5.460 -3.928 -1.899 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 4 . 676 . 1 1 2 THR HB H 3.416 -4.507 -3.204 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 4 . 677 . 1 1 2 THR HG1 H 4.951 -5.860 -3.822 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 4 . 678 . 1 1 2 THR HG21 H 2.667 -3.161 -4.811 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 4 . 679 . 1 1 2 THR HG22 H 4.167 -3.387 -5.711 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 4 . 680 . 1 1 2 THR HG23 H 4.032 -2.077 -4.538 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 4 . 681 . 1 1 2 THR N N 4.135 -2.346 -1.849 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 4 . 682 . 1 1 2 THR O O 6.661 -2.834 -4.308 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 4 . 683 . 1 1 2 THR OG1 O 5.115 -5.014 -4.246 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 4 . 684 . 1 1 3 ALA C C 8.314 0.262 -2.074 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 4 . 685 . 1 1 3 ALA CA C 7.577 -0.469 -3.191 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 4 . 686 . 1 1 3 ALA CB C 7.006 0.527 -4.189 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 4 . 687 . 1 1 3 ALA H H 6.068 -1.049 -1.826 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 4 . 688 . 1 1 3 ALA HA H 8.278 -1.104 -3.714 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 4 . 689 . 1 1 3 ALA HB1 H 5.926 0.494 -4.151 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 4 . 690 . 1 1 3 ALA HB2 H 7.346 1.521 -3.941 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 4 . 691 . 1 1 3 ALA HB3 H 7.339 0.269 -5.184 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 692 . 1 1 3 ALA N N 6.517 -1.313 -2.656 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 4 . 693 . 1 1 3 ALA O O 7.699 0.732 -1.117 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 4 . 694 . 1 1 4 SER C C 10.024 2.482 -1.033 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 4 . 695 . 1 1 4 SER CA C 10.453 1.027 -1.201 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 4 . 696 . 1 1 4 SER CB C 11.931 0.961 -1.594 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 4 . 697 . 1 1 4 SER H H 10.065 -0.039 -2.989 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 4 . 698 . 1 1 4 SER HA H 10.317 0.513 -0.261 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 4 . 699 . 1 1 4 SER HB3 H 12.515 1.532 -0.886 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 700 . 1 1 4 SER HG H 11.972 -0.863 -2.307 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 4 . 701 . 1 1 4 SER N N 9.633 0.355 -2.203 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 4 . 702 . 1 1 4 SER O O 9.301 3.027 -1.868 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 4 . 703 . 1 1 4 SER OG O 12.398 -0.377 -1.598 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 4 . 704 . 1 1 5 ILE C C 10.424 5.380 -0.879 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 4 . 705 . 1 1 5 ILE CA C 10.139 4.494 0.328 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 4 . 706 . 1 1 5 ILE CB C 10.922 5.031 1.540 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 4 . 707 . 1 1 5 ILE CD1 C 9.445 6.545 2.958 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 4 . 708 . 1 1 5 ILE CG1 C 10.487 6.462 1.864 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 4 . 709 . 1 1 5 ILE CG2 C 12.418 4.975 1.272 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 4 . 710 . 1 1 5 ILE H H 11.048 2.615 0.679 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 4 . 711 . 1 1 5 ILE HA H 9.084 4.543 0.557 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 4 . 712 . 1 1 5 ILE HB H 10.708 4.398 2.389 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 4 . 713 . 1 1 5 ILE HD11 H 9.264 5.558 3.359 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 4 . 714 . 1 1 5 ILE HD12 H 9.799 7.193 3.745 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 4 . 715 . 1 1 5 ILE HD13 H 8.526 6.942 2.551 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 4 . 716 . 1 1 5 ILE HG13 H 10.072 6.913 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 4 . 717 . 1 1 5 ILE HG21 H 12.704 5.812 0.654 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 4 . 718 . 1 1 5 ILE HG22 H 12.954 5.020 2.209 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 4 . 719 . 1 1 5 ILE HG23 H 12.659 4.053 0.763 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 4 . 720 . 1 1 5 ILE N N 10.475 3.104 0.052 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 4 . 721 . 1 1 5 ILE O O 11.511 5.355 -1.456 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 4 . 722 . 1 1 6 PRO C C 7.319 4.947 -0.817 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 4 . 723 . 1 1 6 PRO CA C 8.126 6.222 -0.594 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 4 . 724 . 1 1 6 PRO CB C 7.424 7.420 -1.239 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 4 . 725 . 1 1 6 PRO CD C 9.487 7.117 -2.409 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 4 . 726 . 1 1 6 PRO CG C 8.056 7.552 -2.581 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 4 . 727 . 1 1 6 PRO HA H 8.237 6.396 0.466 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 4 . 728 . 1 1 6 PRO HB3 H 7.584 8.302 -0.638 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 729 . 1 1 6 PRO HD3 H 10.113 7.966 -2.176 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 4 . 730 . 1 1 6 PRO HG3 H 8.015 8.581 -2.906 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 4 . 731 . 1 1 6 PRO N N 9.425 6.185 -1.272 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 4 . 732 . 1 1 6 PRO O O 7.258 4.407 -1.921 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 4 . 733 . 1 1 7 PRO C C 4.579 3.438 -0.589 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 4 . 734 . 1 1 7 PRO CA C 5.867 3.238 0.204 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 4 . 735 . 1 1 7 PRO CB C 5.550 2.959 1.675 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 4 . 736 . 1 1 7 PRO CD C 6.711 5.047 1.605 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 4 . 737 . 1 1 7 PRO CG C 5.643 4.288 2.342 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 4 . 738 . 1 1 7 PRO HA H 6.418 2.408 -0.212 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 4 . 739 . 1 1 7 PRO HB3 H 6.273 2.264 2.078 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 740 . 1 1 7 PRO HD3 H 7.673 4.894 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 4 . 741 . 1 1 7 PRO HG3 H 5.922 4.159 3.377 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 4 . 742 . 1 1 7 PRO N N 6.683 4.454 0.258 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 4 . 743 . 1 1 7 PRO O O 3.752 4.283 -0.244 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 4 . 744 . 1 1 8 ILE C C 2.268 1.597 -2.211 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 4 . 745 . 1 1 8 ILE CA C 3.229 2.748 -2.491 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 4 . 746 . 1 1 8 ILE CB C 3.595 2.744 -3.986 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 4 . 747 . 1 1 8 ILE CD1 C 4.934 3.978 -5.765 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 4 . 748 . 1 1 8 ILE CG1 C 4.529 3.912 -4.309 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 4 . 749 . 1 1 8 ILE CG2 C 2.337 2.811 -4.841 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 4 . 750 . 1 1 8 ILE H H 5.111 2.002 -1.875 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 4 . 751 . 1 1 8 ILE HA H 2.732 3.680 -2.266 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 4 . 752 . 1 1 8 ILE HB H 4.102 1.815 -4.208 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 4 . 753 . 1 1 8 ILE HD11 H 5.184 2.987 -6.115 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 4 . 754 . 1 1 8 ILE HD12 H 4.115 4.372 -6.350 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 4 . 755 . 1 1 8 ILE HD13 H 5.794 4.623 -5.871 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 4 . 756 . 1 1 8 ILE HG13 H 5.428 3.817 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 4 . 757 . 1 1 8 ILE HG21 H 1.805 3.725 -4.625 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 4 . 758 . 1 1 8 ILE HG22 H 2.612 2.794 -5.885 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 4 . 759 . 1 1 8 ILE HG23 H 1.706 1.964 -4.620 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 4 . 760 . 1 1 8 ILE N N 4.416 2.657 -1.651 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 4 . 761 . 1 1 8 ILE O O 2.569 0.438 -2.498 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 4 . 762 . 1 1 9 CYS C C -0.994 0.893 -2.395 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 4 . 763 . 1 1 9 CYS CA C 0.101 0.920 -1.332 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 4 . 764 . 1 1 9 CYS CB C -0.512 1.199 0.041 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 4 . 765 . 1 1 9 CYS H H 0.926 2.867 -1.446 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 4 . 766 . 1 1 9 CYS HA H 0.587 -0.042 -1.311 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 4 . 767 . 1 1 9 CYS HB3 H -1.380 0.571 0.174 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 768 . 1 1 9 CYS N N 1.108 1.926 -1.651 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 4 . 769 . 1 1 9 CYS O O -1.524 1.935 -2.783 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 4 . 770 . 1 1 9 CYS SG S 0.618 0.889 1.436 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 4 . 771 . 1 1 10 HIS C C -3.614 -1.111 -3.283 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 4 . 772 . 1 1 10 HIS CA C -2.364 -0.469 -3.877 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 4 . 773 . 1 1 10 HIS CB C -1.840 -1.320 -5.034 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 4 . 774 . 1 1 10 HIS CD2 C -0.139 -3.089 -4.197 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 4 . 775 . 1 1 10 HIS CE1 C -1.471 -4.830 -4.175 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 4 . 776 . 1 1 10 HIS CG C -1.358 -2.673 -4.612 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 4 . 777 . 1 1 10 HIS H H -0.873 -1.098 -2.511 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 4 . 778 . 1 1 10 HIS HA H -2.620 0.511 -4.249 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 4 . 779 . 1 1 10 HIS HB3 H -1.016 -0.806 -5.507 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 780 . 1 1 10 HIS HD1 H -3.118 -3.811 -4.836 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 4 . 781 . 1 1 10 HIS HD2 H 0.747 -2.477 -4.092 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 4 . 782 . 1 1 10 HIS HE1 H -1.845 -5.836 -4.057 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 4 . 783 . 1 1 10 HIS N N -1.330 -0.305 -2.860 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 4 . 784 . 1 1 10 HIS ND1 N -2.170 -3.789 -4.588 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 4 . 785 . 1 1 10 HIS NE2 N -0.234 -4.433 -3.931 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 4 . 786 . 1 1 10 HIS O O -4.357 -1.803 -3.976 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 4 . 787 . 1 1 11 . C C -5.015 -1.009 0.160 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 4 . 788 . 1 1 11 . CA C -4.998 -1.431 -1.307 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 4 . 789 . 1 1 11 . CB C -6.288 -0.980 -1.993 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 4 . 790 . 1 1 11 . CD1 C -6.351 0.650 -3.899 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 4 . 791 . 1 1 11 . CD2 C -6.025 1.497 -1.696 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 4 . 792 . 1 1 11 . CE1 C -6.289 1.934 -4.406 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 4 . 793 . 1 1 11 . CE2 C -5.961 2.785 -2.197 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 4 . 794 . 1 1 11 . CG C -6.220 0.417 -2.540 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 4 . 795 . 1 1 11 . CZ C -6.092 3.003 -3.553 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 4 . 796 . 1 1 11 . H H -3.208 -0.315 -1.493 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 4 . 797 . 1 1 11 . HA H -4.929 -2.507 -1.358 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 4 . 798 . 1 1 11 . HB2 H -7.099 -1.017 -1.281 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 4 . 799 . 1 1 11 . HB3 H -6.505 -1.649 -2.812 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 800 . 1 1 11 . HD1 H -6.503 -0.186 -4.568 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 4 . 801 . 1 1 11 . HD2 H -5.921 1.328 -0.632 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 4 . 802 . 1 1 11 . HE1 H -6.391 2.102 -5.468 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 4 . 803 . 1 1 11 . HE2 H -5.807 3.617 -1.526 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 4 . 804 . 1 1 11 . HZ H -6.044 4.007 -3.946 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 4 . 805 . 1 1 11 . N N -3.839 -0.876 -1.993 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 4 . 806 . 1 1 11 . O O -4.446 0.020 0.527 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 4 . 807 . 1 1 12 MMO C C -5.403 -2.753 3.248 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 4 . 808 . 1 1 12 MMO CA C -5.761 -1.521 2.420 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 4 . 809 . 1 1 12 MMO CB C -7.169 -1.045 2.777 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 4 . 810 . 1 1 12 MMO CD C -8.975 0.651 2.359 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 4 . 811 . 1 1 12 MMO CG C -7.489 0.350 2.264 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 4 . 812 . 1 1 12 MMO CN C -6.318 -3.017 0.464 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 4 . 813 . 1 1 12 MMO CZ C -11.101 -0.307 1.577 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 4 . 814 . 1 1 12 MMO HA H -5.055 -0.735 2.644 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 4 . 815 . 1 1 12 MMO HC1 H -6.856 -3.524 1.266 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 4 . 816 . 1 1 12 MMO HC2 H -5.561 -3.688 0.057 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 4 . 817 . 1 1 12 MMO HC3 H -7.017 -2.740 -0.324 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 4 . 818 . 1 1 12 MMO HCB1 H -7.887 -1.731 2.354 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 4 . 819 . 1 1 12 MMO HCB2 H -7.274 -1.042 3.851 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 4 . 820 . 1 1 12 MMO HCD1 H -9.282 0.567 3.390 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 4 . 821 . 1 1 12 MMO HCD2 H -9.147 1.661 2.014 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 4 . 822 . 1 1 12 MMO HCG1 H -6.948 1.073 2.856 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 4 . 823 . 1 1 12 MMO HCG2 H -7.180 0.424 1.232 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 4 . 824 . 1 1 12 MMO HH11 H -11.249 -1.795 0.217 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 4 . 825 . 1 1 12 MMO HH12 H -12.753 -1.201 0.833 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 4 . 826 . 1 1 12 MMO HH21 H -11.286 1.170 2.942 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 4 . 827 . 1 1 12 MMO HH22 H -12.776 0.486 2.382 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 4 . 828 . 1 1 12 MMO N N -5.670 -1.811 0.994 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 4 . 829 . 1 1 12 MMO NE N -9.773 -0.268 1.550 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 4 . 830 . 1 1 12 MMO NH1 N -11.755 -1.173 0.812 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 4 . 831 . 1 1 12 MMO NH2 N -11.776 0.517 2.365 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 4 . 832 . 1 1 12 MMO O O -6.284 -3.478 3.709 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 4 . 833 . 1 1 13 . C C -1.877 -2.896 2.402 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 4 . 834 . 1 1 13 . CA C -3.090 -2.098 2.868 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 4 . 835 . 1 1 13 . CB C -2.663 -1.054 3.902 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 4 . 836 . 1 1 13 . CD1 C -4.246 -1.367 5.893 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 4 . 837 . 1 1 13 . CD2 C -4.533 0.557 4.781 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 4 . 838 . 1 1 13 . CE2 C -5.458 0.510 5.843 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 4 . 839 . 1 1 13 . CE3 C -4.525 1.675 3.944 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 4 . 840 . 1 1 13 . CG C -3.768 -0.653 4.831 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 4 . 841 . 1 1 13 . CH2 C -6.334 2.621 5.251 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 4 . 842 . 1 1 13 . CN2 C -3.689 -4.148 4.217 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 4 . 843 . 1 1 13 . CZ2 C -6.364 1.537 6.087 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 4 . 844 . 1 1 13 . CZ3 C -5.425 2.695 4.187 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 4 . 845 . 1 1 13 . HA H -3.524 -1.593 2.018 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 4 . 846 . 1 1 13 . HB2 H -1.856 -1.455 4.496 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 4 . 847 . 1 1 13 . HB3 H -2.321 -0.169 3.387 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 848 . 1 1 13 . HD1 H -3.873 -2.333 6.193 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 4 . 849 . 1 1 13 . HE1 H -5.766 -0.978 7.290 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 4 . 850 . 1 1 13 . HE3 H -3.832 1.751 3.119 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 4 . 851 . 1 1 13 . HH2 H -7.020 3.440 5.404 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 4 . 852 . 1 1 13 . HN1 H -3.369 -4.944 3.546 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 4 . 853 . 1 1 13 . HN2 H -4.524 -4.499 4.823 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 4 . 854 . 1 1 13 . HN3 H -2.861 -3.868 4.869 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 4 . 855 . 1 1 13 . HZ2 H -7.070 1.495 6.903 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 4 . 856 . 1 1 13 . HZ3 H -5.435 3.568 3.550 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 4 . 857 . 1 1 13 . N N -4.108 -2.979 3.430 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 4 . 858 . 1 1 13 . NE1 N -5.262 -0.674 6.505 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 4 . 859 . 1 1 13 . O O -1.096 -3.388 3.216 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 4 . 860 . 1 1 14 ARG C C 0.368 -2.813 -0.183 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 4 . 861 . 1 1 14 ARG CA C -0.607 -3.758 0.513 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 4 . 862 . 1 1 14 ARG CB C -1.116 -4.805 -0.479 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 4 . 863 . 1 1 14 ARG CD C -1.041 -6.916 0.884 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 4 . 864 . 1 1 14 ARG CG C -1.932 -5.912 0.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 4 . 865 . 1 1 14 ARG CZ C -0.102 -7.281 3.127 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 4 . 866 . 1 1 14 ARG H H -2.382 -2.604 0.489 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 4 . 867 . 1 1 14 ARG HA H -0.090 -4.258 1.319 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 4 . 868 . 1 1 14 ARG HB3 H -0.269 -5.256 -0.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 4 . 869 . 1 1 14 ARG HD3 H -0.103 -6.986 0.354 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 4 . 870 . 1 1 14 ARG HE H -1.120 -5.660 2.567 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 4 . 871 . 1 1 14 ARG HG3 H -2.497 -6.424 -0.594 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 4 . 872 . 1 1 14 ARG HH11 H 0.225 -8.780 1.814 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 4 . 873 . 1 1 14 ARG HH12 H 0.882 -9.026 3.398 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 4 . 874 . 1 1 14 ARG HH21 H -0.259 -5.970 4.657 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 4 . 875 . 1 1 14 ARG HH22 H 0.605 -7.426 5.015 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 4 . 876 . 1 1 14 ARG N N -1.726 -3.019 1.088 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 4 . 877 . 1 1 14 ARG NE N -0.777 -6.526 2.265 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 4 . 878 . 1 1 14 ARG NH1 N 0.373 -8.460 2.749 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 4 . 879 . 1 1 14 ARG NH2 N 0.098 -6.858 4.367 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 4 . 880 . 1 1 14 ARG O O 0.146 -2.407 -1.325 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 5 . 881 . 1 1 1 CYS C C 2.583 -2.698 0.506 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 5 . 882 . 1 1 1 CYS CA C 1.337 -2.039 1.088 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 5 . 883 . 1 1 1 CYS CB C 1.697 -1.286 2.370 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 5 . 884 . 1 1 1 CYS H1 H 0.096 -3.264 2.288 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 5 . 885 . 1 1 1 CYS HA H 0.945 -1.337 0.368 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 5 . 886 . 1 1 1 CYS HB3 H 2.544 -0.644 2.176 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 887 . 1 1 1 CYS N N 0.303 -3.030 1.358 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 5 . 888 . 1 1 1 CYS O O 2.766 -3.912 0.611 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 5 . 889 . 1 1 1 CYS SG S 0.352 -0.246 3.025 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 5 . 890 . 1 1 2 THR C C 5.891 -1.968 0.098 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 5 . 891 . 1 1 2 THR CA C 4.670 -2.395 -0.710 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 5 . 892 . 1 1 2 THR CB C 4.831 -1.901 -2.161 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 5 . 893 . 1 1 2 THR CG2 C 3.540 -2.093 -2.943 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 5 . 894 . 1 1 2 THR H H 3.241 -0.932 -0.162 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 5 . 895 . 1 1 2 THR HA H 4.618 -3.473 -0.722 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 5 . 896 . 1 1 2 THR HB H 5.611 -2.477 -2.636 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 5 . 897 . 1 1 2 THR HG1 H 6.153 -0.440 -2.243 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 5 . 898 . 1 1 2 THR HG21 H 2.729 -1.602 -2.426 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 5 . 899 . 1 1 2 THR HG22 H 3.325 -3.147 -3.030 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 5 . 900 . 1 1 2 THR HG23 H 3.650 -1.666 -3.928 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 5 . 901 . 1 1 2 THR N N 3.442 -1.890 -0.109 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 5 . 902 . 1 1 2 THR O O 5.772 -1.558 1.251 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 5 . 903 . 1 1 2 THR OG1 O 5.198 -0.517 -2.169 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 5 . 904 . 1 1 3 ALA C C 9.134 -0.753 -0.733 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 5 . 905 . 1 1 3 ALA CA C 8.308 -1.690 0.143 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 5 . 906 . 1 1 3 ALA CB C 9.115 -2.929 0.499 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 5 . 907 . 1 1 3 ALA H H 7.095 -2.402 -1.438 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 5 . 908 . 1 1 3 ALA HA H 8.056 -1.178 1.062 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 5 . 909 . 1 1 3 ALA HB1 H 9.737 -3.207 -0.339 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 5 . 910 . 1 1 3 ALA HB2 H 9.739 -2.719 1.356 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 5 . 911 . 1 1 3 ALA HB3 H 8.442 -3.741 0.733 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 912 . 1 1 3 ALA N N 7.066 -2.067 -0.518 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 5 . 913 . 1 1 3 ALA O O 10.230 -1.103 -1.172 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 5 . 914 . 1 1 4 SER C C 9.646 2.660 -0.998 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 5 . 915 . 1 1 4 SER CA C 9.284 1.424 -1.814 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 5 . 916 . 1 1 4 SER CB C 8.407 1.821 -3.002 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 5 . 917 . 1 1 4 SER H H 7.721 0.658 -0.607 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 5 . 918 . 1 1 4 SER HA H 10.192 0.971 -2.183 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 5 . 919 . 1 1 4 SER HB3 H 7.830 2.697 -2.742 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 920 . 1 1 4 SER HG H 9.373 1.305 -4.626 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 5 . 921 . 1 1 4 SER N N 8.599 0.438 -0.986 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 5 . 922 . 1 1 4 SER O O 9.185 2.830 0.130 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 5 . 923 . 1 1 4 SER OG O 9.195 2.115 -4.142 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 5 . 924 . 1 1 5 ILE C C 10.659 5.965 -1.784 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 5 . 925 . 1 1 5 ILE CA C 10.902 4.742 -0.905 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 5 . 926 . 1 1 5 ILE CB C 12.393 4.686 -0.524 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 5 . 927 . 1 1 5 ILE CD1 C 13.295 5.852 1.551 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 5 . 928 . 1 1 5 ILE CG1 C 12.828 6.004 0.121 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 5 . 929 . 1 1 5 ILE CG2 C 13.242 4.385 -1.750 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 5 . 930 . 1 1 5 ILE H H 10.813 3.329 -2.477 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 5 . 931 . 1 1 5 ILE HA H 10.324 4.842 0.001 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 5 . 932 . 1 1 5 ILE HB H 12.531 3.884 0.185 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 5 . 933 . 1 1 5 ILE HD11 H 13.721 4.869 1.688 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 5 . 934 . 1 1 5 ILE HD12 H 14.040 6.603 1.769 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 5 . 935 . 1 1 5 ILE HD13 H 12.456 5.975 2.220 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 5 . 936 . 1 1 5 ILE HG13 H 11.992 6.691 0.115 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 5 . 937 . 1 1 5 ILE HG21 H 13.906 3.561 -1.534 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 5 . 938 . 1 1 5 ILE HG22 H 12.600 4.123 -2.577 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 5 . 939 . 1 1 5 ILE HG23 H 13.824 5.257 -2.008 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 5 . 940 . 1 1 5 ILE N N 10.478 3.521 -1.577 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 5 . 941 . 1 1 5 ILE O O 11.375 6.217 -2.752 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 5 . 942 . 1 1 6 PRO C C 7.889 5.228 -0.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 5 . 943 . 1 1 6 PRO CA C 8.765 6.456 -0.285 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 5 . 944 . 1 1 6 PRO CB C 7.900 7.713 -0.163 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 5 . 945 . 1 1 6 PRO CD C 9.215 7.971 -2.142 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 5 . 946 . 1 1 6 PRO CG C 7.877 8.293 -1.535 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 5 . 947 . 1 1 6 PRO HA H 9.342 6.324 0.617 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 5 . 948 . 1 1 6 PRO HB3 H 8.348 8.395 0.546 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 949 . 1 1 6 PRO HD3 H 9.916 8.773 -1.960 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 5 . 950 . 1 1 6 PRO HG3 H 7.739 9.362 -1.478 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 5 . 951 . 1 1 6 PRO N N 9.624 6.746 -1.437 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 5 . 952 . 1 1 6 PRO O O 7.774 4.713 -1.624 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 5 . 953 . 1 1 7 PRO C C 5.083 3.854 -0.245 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 5 . 954 . 1 1 7 PRO CA C 6.377 3.573 0.511 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 5 . 955 . 1 1 7 PRO CB C 6.082 3.280 1.985 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 5 . 956 . 1 1 7 PRO CD C 7.346 5.309 1.926 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 5 . 957 . 1 1 7 PRO CG C 6.258 4.590 2.674 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 5 . 958 . 1 1 7 PRO HA H 6.876 2.724 0.068 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 5 . 959 . 1 1 7 PRO HB3 H 6.779 2.542 2.355 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 960 . 1 1 7 PRO HD3 H 8.309 5.099 2.365 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 5 . 961 . 1 1 7 PRO HG3 H 6.555 4.427 3.700 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 5 . 962 . 1 1 7 PRO N N 7.254 4.746 0.568 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 5 . 963 . 1 1 7 PRO O O 4.510 4.938 -0.133 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 5 . 964 . 1 1 8 ILE C C 2.494 1.798 -1.605 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 5 . 965 . 1 1 8 ILE CA C 3.401 3.010 -1.788 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 5 . 966 . 1 1 8 ILE CB C 3.698 3.195 -3.287 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 5 . 967 . 1 1 8 ILE CD1 C 2.262 1.592 -4.644 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 5 . 968 . 1 1 8 ILE CG1 C 2.424 2.996 -4.110 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 5 . 969 . 1 1 8 ILE CG2 C 4.781 2.223 -3.736 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 5 . 970 . 1 1 8 ILE H H 5.130 2.028 -1.061 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 5 . 971 . 1 1 8 ILE HA H 2.883 3.889 -1.433 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 5 . 972 . 1 1 8 ILE HB H 4.065 4.199 -3.437 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 5 . 973 . 1 1 8 ILE HD11 H 1.221 1.409 -4.871 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 5 . 974 . 1 1 8 ILE HD12 H 2.852 1.476 -5.540 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 5 . 975 . 1 1 8 ILE HD13 H 2.595 0.882 -3.900 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 5 . 976 . 1 1 8 ILE HG13 H 2.441 3.673 -4.953 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 5 . 977 . 1 1 8 ILE HG21 H 5.719 2.491 -3.272 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 5 . 978 . 1 1 8 ILE HG22 H 4.508 1.221 -3.441 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 5 . 979 . 1 1 8 ILE HG23 H 4.883 2.269 -4.809 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 5 . 980 . 1 1 8 ILE N N 4.628 2.869 -1.014 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 5 . 981 . 1 1 8 ILE O O 2.949 0.654 -1.662 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 5 . 982 . 1 1 9 CYS C C -0.644 0.825 -2.437 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 5 . 983 . 1 1 9 CYS CA C 0.237 0.984 -1.199 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 5 . 984 . 1 1 9 CYS CB C -0.634 1.269 0.026 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 5 . 985 . 1 1 9 CYS H H 0.906 2.987 -1.355 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 5 . 986 . 1 1 9 CYS HA H 0.780 0.065 -1.040 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 5 . 987 . 1 1 9 CYS HB3 H -1.452 0.565 0.048 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 988 . 1 1 9 CYS N N 1.209 2.054 -1.389 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 5 . 989 . 1 1 9 CYS O O -0.815 1.763 -3.215 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 5 . 990 . 1 1 9 CYS SG S 0.252 1.139 1.612 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 5 . 991 . 1 1 10 HIS C C -3.374 -1.288 -3.296 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 5 . 992 . 1 1 10 HIS CA C -2.063 -0.653 -3.751 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 5 . 993 . 1 1 10 HIS CB C -1.351 -1.576 -4.740 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 5 . 994 . 1 1 10 HIS CD2 C -1.546 -3.857 -3.523 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 5 . 995 . 1 1 10 HIS CE1 C 0.580 -4.386 -3.488 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 5 . 996 . 1 1 10 HIS CG C -0.869 -2.854 -4.126 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 5 . 997 . 1 1 10 HIS H H -1.027 -1.077 -1.955 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 5 . 998 . 1 1 10 HIS HA H -2.283 0.284 -4.241 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 5 . 999 . 1 1 10 HIS HB3 H -0.496 -1.061 -5.151 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 1000 . 1 1 10 HIS HD1 H 1.207 -2.691 -4.446 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1001 . 1 1 10 HIS HD2 H -2.617 -3.910 -3.374 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 5 . 1002 . 1 1 10 HIS HE1 H 1.504 -4.916 -3.314 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 5 . 1003 . 1 1 10 HIS N N -1.200 -0.369 -2.610 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 5 . 1004 . 1 1 10 HIS ND1 N 0.462 -3.214 -4.087 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 5 . 1005 . 1 1 10 HIS NE2 N -0.625 -4.797 -3.135 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 5 . 1006 . 1 1 10 HIS O O -4.007 -2.034 -4.044 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 5 . 1007 . 1 1 11 . C C -5.211 -1.064 -0.073 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 5 . 1008 . 1 1 11 . CA C -5.011 -1.532 -1.511 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 5 . 1009 . 1 1 11 . CB C -6.206 -1.112 -2.368 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 5 . 1010 . 1 1 11 . CD1 C -6.025 0.479 -4.299 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1011 . 1 1 11 . CD2 C -6.027 1.376 -2.089 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 5 . 1012 . 1 1 11 . CE1 C -5.912 1.755 -4.820 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 5 . 1013 . 1 1 11 . CE2 C -5.914 2.653 -2.604 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 5 . 1014 . 1 1 11 . CG C -6.083 0.275 -2.930 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 5 . 1015 . 1 1 11 . CZ C -5.856 2.843 -3.970 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 5 . 1016 . 1 1 11 . H H -3.228 -0.388 -1.517 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 5 . 1017 . 1 1 11 . HA H -4.932 -2.607 -1.520 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 5 . 1018 . 1 1 11 . HB2 H -7.102 -1.148 -1.766 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 5 . 1019 . 1 1 11 . HB3 H -6.307 -1.799 -3.194 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 1020 . 1 1 11 . HD1 H -6.068 -0.371 -4.965 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1021 . 1 1 11 . HD2 H -6.072 1.228 -1.020 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 5 . 1022 . 1 1 11 . HE1 H -5.867 1.901 -5.888 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 5 . 1023 . 1 1 11 . HE2 H -5.870 3.502 -1.937 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 5 . 1024 . 1 1 11 . HZ H -5.769 3.841 -4.374 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 5 . 1025 . 1 1 11 . N N -3.775 -0.989 -2.065 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 5 . 1026 . 1 1 11 . O O -4.698 -0.020 0.330 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 5 . 1027 . 1 1 12 MMO C C -6.107 -2.747 2.979 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 5 . 1028 . 1 1 12 MMO CA C -6.232 -1.513 2.091 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 5 . 1029 . 1 1 12 MMO CB C -7.632 -0.910 2.231 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 5 . 1030 . 1 1 12 MMO CD C -9.100 1.120 2.035 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 5 . 1031 . 1 1 12 MMO CG C -7.724 0.533 1.766 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 5 . 1032 . 1 1 12 MMO CN C -6.536 -3.074 0.129 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 5 . 1033 . 1 1 12 MMO CZ C -10.228 3.300 1.921 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 5 . 1034 . 1 1 12 MMO HA H -5.502 -0.782 2.405 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 5 . 1035 . 1 1 12 MMO HC1 H -5.732 -3.750 -0.159 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 5 . 1036 . 1 1 12 MMO HC2 H -7.134 -2.824 -0.748 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 5 . 1037 . 1 1 12 MMO HC3 H -7.169 -3.558 0.873 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 5 . 1038 . 1 1 12 MMO HCB1 H -8.325 -1.498 1.649 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 5 . 1039 . 1 1 12 MMO HCB2 H -7.923 -0.949 3.270 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 5 . 1040 . 1 1 12 MMO HCD1 H -9.807 0.672 1.353 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1041 . 1 1 12 MMO HCD2 H -9.382 0.887 3.051 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 5 . 1042 . 1 1 12 MMO HCG1 H -6.985 1.120 2.291 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 5 . 1043 . 1 1 12 MMO HCG2 H -7.528 0.571 0.703 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 5 . 1044 . 1 1 12 MMO HH11 H -9.289 5.056 1.569 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 5 . 1045 . 1 1 12 MMO HH12 H -11.001 5.165 1.796 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 5 . 1046 . 1 1 12 MMO HH21 H -11.446 1.731 2.291 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 5 . 1047 . 1 1 12 MMO HH22 H -12.230 3.275 2.207 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 5 . 1048 . 1 1 12 MMO N N -5.963 -1.845 0.698 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 5 . 1049 . 1 1 12 MMO NE N -9.122 2.569 1.857 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 5 . 1050 . 1 1 12 MMO NH1 N -10.168 4.614 1.748 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 5 . 1051 . 1 1 12 MMO NH2 N -11.397 2.722 2.158 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 5 . 1052 . 1 1 12 MMO O O -7.107 -3.360 3.351 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 5 . 1053 . 1 1 13 . C C -2.554 -3.295 2.516 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 5 . 1054 . 1 1 13 . CA C -3.709 -2.356 2.854 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 5 . 1055 . 1 1 13 . CB C -3.270 -1.351 3.920 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 5 . 1056 . 1 1 13 . CD1 C -5.077 -1.411 5.736 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1057 . 1 1 13 . CD2 C -5.021 0.491 4.555 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 5 . 1058 . 1 1 13 . CE2 C -6.050 0.587 5.514 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 5 . 1059 . 1 1 13 . CE3 C -4.797 1.572 3.698 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 5 . 1060 . 1 1 13 . CG C -4.410 -0.794 4.716 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 5 . 1061 . 1 1 13 . CH2 C -6.611 2.761 4.780 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 5 . 1062 . 1 1 13 . CN2 C -4.675 -4.286 4.166 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 5 . 1063 . 1 1 13 . CZ2 C -6.851 1.718 5.633 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 5 . 1064 . 1 1 13 . CZ3 C -5.594 2.694 3.818 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 5 . 1065 . 1 1 13 . HA H -3.993 -1.819 1.960 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 5 . 1066 . 1 1 13 . HB2 H -2.592 -1.836 4.605 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 5 . 1067 . 1 1 13 . HB3 H -2.763 -0.526 3.439 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 1068 . 1 1 13 . HD1 H -4.851 -2.403 6.098 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 5 . 1069 . 1 1 13 . HE1 H -6.678 -0.803 6.952 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 5 . 1070 . 1 1 13 . HE3 H -4.019 1.539 2.950 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 5 . 1071 . 1 1 13 . HH2 H -7.208 3.657 4.839 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 5 . 1072 . 1 1 13 . HN1 H -5.555 -4.438 4.788 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 5 . 1073 . 1 1 13 . HN2 H -3.801 -4.135 4.800 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 5 . 1074 . 1 1 13 . HN3 H -4.519 -5.165 3.538 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 5 . 1075 . 1 1 13 . HZ2 H -7.639 1.786 6.370 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 5 . 1076 . 1 1 13 . HZ3 H -5.436 3.539 3.164 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 5 . 1077 . 1 1 13 . N N -4.873 -3.106 3.312 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 5 . 1078 . 1 1 13 . NE1 N -6.064 -0.587 6.219 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 5 . 1079 . 1 1 13 . O O -1.725 -3.606 3.372 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 5 . 1080 . 1 1 14 ARG C C -0.193 -3.872 0.449 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 5 . 1081 . 1 1 14 ARG CA C -1.455 -4.646 0.817 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 5 . 1082 . 1 1 14 ARG CB C -1.933 -5.463 -0.384 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 5 . 1083 . 1 1 14 ARG CD C -3.561 -7.187 -1.217 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 5 . 1084 . 1 1 14 ARG CG C -2.823 -6.636 -0.007 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 5 . 1085 . 1 1 14 ARG CZ C -5.409 -8.736 -1.697 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 5 . 1086 . 1 1 14 ARG H H -3.196 -3.458 0.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 5 . 1087 . 1 1 14 ARG HA H -1.226 -5.318 1.631 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 5 . 1088 . 1 1 14 ARG HB3 H -1.072 -5.848 -0.908 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 5 . 1089 . 1 1 14 ARG HD3 H -2.840 -7.618 -1.895 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 5 . 1090 . 1 1 14 ARG HE H -4.535 -8.521 0.083 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 5 . 1091 . 1 1 14 ARG HG3 H -3.546 -6.306 0.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 5 . 1092 . 1 1 14 ARG HH11 H -4.789 -7.639 -3.276 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 5 . 1093 . 1 1 14 ARG HH12 H -6.091 -8.735 -3.599 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 5 . 1094 . 1 1 14 ARG HH21 H -6.248 -9.967 -0.332 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 5 . 1095 . 1 1 14 ARG HH22 H -6.920 -10.059 -1.924 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 5 . 1096 . 1 1 14 ARG N N -2.507 -3.741 1.266 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 5 . 1097 . 1 1 14 ARG NE N -4.535 -8.211 -0.846 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 5 . 1098 . 1 1 14 ARG NH1 N -5.431 -8.337 -2.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 5 . 1099 . 1 1 14 ARG NH2 N -6.263 -9.664 -1.283 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 5 . 1100 . 1 1 14 ARG O O 0.392 -4.087 -0.612 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 6 . 1101 . 1 1 1 CYS C C 3.559 -2.643 -0.622 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 6 . 1102 . 1 1 1 CYS CA C 2.642 -1.624 0.047 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 6 . 1103 . 1 1 1 CYS CB C 3.418 -0.841 1.107 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 6 . 1104 . 1 1 1 CYS H1 H 1.329 -2.184 1.610 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 6 . 1105 . 1 1 1 CYS HA H 2.281 -0.936 -0.704 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 6 . 1106 . 1 1 1 CYS HB3 H 4.336 -0.473 0.673 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1107 . 1 1 1 CYS N N 1.485 -2.280 0.647 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 6 . 1108 . 1 1 1 CYS O O 3.744 -3.753 -0.122 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 6 . 1109 . 1 1 1 CYS SG S 2.514 0.586 1.788 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 6 . 1110 . 1 1 2 THR C C 6.037 -2.336 -3.313 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 6 . 1111 . 1 1 2 THR CA C 5.031 -3.137 -2.497 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 6 . 1112 . 1 1 2 THR CB C 4.250 -4.073 -3.441 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 6 . 1113 . 1 1 2 THR CG2 C 3.498 -3.273 -4.493 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 6 . 1114 . 1 1 2 THR H H 3.947 -1.361 -2.107 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 6 . 1115 . 1 1 2 THR HA H 5.564 -3.745 -1.783 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 6 . 1116 . 1 1 2 THR HB H 3.536 -4.634 -2.856 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 6 . 1117 . 1 1 2 THR HG1 H 4.753 -5.310 -4.892 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 6 . 1118 . 1 1 2 THR HG21 H 2.439 -3.474 -4.410 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 6 . 1119 . 1 1 2 THR HG22 H 3.842 -3.558 -5.477 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 6 . 1120 . 1 1 2 THR HG23 H 3.675 -2.218 -4.340 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 6 . 1121 . 1 1 2 THR N N 4.133 -2.258 -1.758 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 6 . 1122 . 1 1 2 THR O O 6.514 -2.793 -4.353 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 6 . 1123 . 1 1 2 THR OG1 O 5.151 -4.984 -4.081 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 6 . 1124 . 1 1 3 ALA C C 8.228 0.432 -2.526 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 6 . 1125 . 1 1 3 ALA CA C 7.311 -0.272 -3.522 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 6 . 1126 . 1 1 3 ALA CB C 6.576 0.749 -4.378 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 6 . 1127 . 1 1 3 ALA H H 5.945 -0.828 -2.004 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 6 . 1128 . 1 1 3 ALA HA H 7.912 -0.889 -4.175 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 6 . 1129 . 1 1 3 ALA HB1 H 6.154 0.255 -5.241 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 6 . 1130 . 1 1 3 ALA HB2 H 5.786 1.202 -3.799 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 6 . 1131 . 1 1 3 ALA HB3 H 7.269 1.511 -4.702 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1132 . 1 1 3 ALA N N 6.358 -1.137 -2.837 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 6 . 1133 . 1 1 3 ALA O O 7.777 0.914 -1.488 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 6 . 1134 . 1 1 4 SER C C 10.046 2.532 -1.600 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 6 . 1135 . 1 1 4 SER CA C 10.495 1.125 -1.982 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 6 . 1136 . 1 1 4 SER CB C 11.859 1.185 -2.675 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 6 . 1137 . 1 1 4 SER H H 9.813 0.082 -3.693 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 6 . 1138 . 1 1 4 SER HA H 10.583 0.531 -1.086 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 6 . 1139 . 1 1 4 SER HB3 H 12.555 1.726 -2.048 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1140 . 1 1 4 SER HG H 13.211 -0.051 -3.365 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 6 . 1141 . 1 1 4 SER N N 9.516 0.485 -2.851 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 6 . 1142 . 1 1 4 SER O O 9.209 3.134 -2.273 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 6 . 1143 . 1 1 4 SER OG O 12.370 -0.115 -2.908 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 6 . 1144 . 1 1 5 ILE C C 10.364 5.409 -1.163 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 6 . 1145 . 1 1 5 ILE CA C 10.264 4.386 -0.038 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 6 . 1146 . 1 1 5 ILE CB C 11.177 4.822 1.122 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 6 . 1147 . 1 1 5 ILE CD1 C 9.830 3.380 2.729 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1148 . 1 1 5 ILE CG1 C 11.203 3.750 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 6 . 1149 . 1 1 5 ILE CG2 C 10.709 6.152 1.692 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 6 . 1150 . 1 1 5 ILE H H 11.267 2.522 -0.016 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 6 . 1151 . 1 1 5 ILE HA H 9.246 4.360 0.322 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 6 . 1152 . 1 1 5 ILE HB H 12.176 4.956 0.734 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 6 . 1153 . 1 1 5 ILE HD11 H 9.376 4.243 3.193 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 6 . 1154 . 1 1 5 ILE HD12 H 9.215 3.044 1.909 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 6 . 1155 . 1 1 5 ILE HD13 H 9.922 2.587 3.459 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 6 . 1156 . 1 1 5 ILE HG13 H 11.787 4.109 3.048 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 6 . 1157 . 1 1 5 ILE HG21 H 11.481 6.566 2.324 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 6 . 1158 . 1 1 5 ILE HG22 H 10.503 6.837 0.884 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 6 . 1159 . 1 1 5 ILE HG23 H 9.812 6.001 2.274 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 6 . 1160 . 1 1 5 ILE N N 10.606 3.049 -0.512 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 6 . 1161 . 1 1 5 ILE O O 11.349 5.467 -1.899 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 6 . 1162 . 1 1 6 PRO C C 7.302 4.931 -0.676 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 6 . 1163 . 1 1 6 PRO CA C 8.140 6.181 -0.432 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 6 . 1164 . 1 1 6 PRO CB C 7.354 7.436 -0.816 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 6 . 1165 . 1 1 6 PRO CD C 9.210 7.301 -2.316 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 6 . 1166 . 1 1 6 PRO CG C 7.773 7.733 -2.214 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 6 . 1167 . 1 1 6 PRO HA H 8.414 6.232 0.613 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 6 . 1168 . 1 1 6 PRO HB3 H 7.608 8.244 -0.149 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1169 . 1 1 6 PRO HD3 H 9.868 8.126 -2.083 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 6 . 1170 . 1 1 6 PRO HG3 H 7.686 8.792 -2.407 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 6 . 1171 . 1 1 6 PRO N N 9.319 6.240 -1.301 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 6 . 1172 . 1 1 6 PRO O O 7.203 4.429 -1.796 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 6 . 1173 . 1 1 7 PRO C C 4.541 3.467 -0.428 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 6 . 1174 . 1 1 7 PRO CA C 5.844 3.215 0.323 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 6 . 1175 . 1 1 7 PRO CB C 5.559 2.890 1.792 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 6 . 1176 . 1 1 7 PRO CD C 6.759 4.958 1.763 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 6 . 1177 . 1 1 7 PRO CG C 5.695 4.194 2.501 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 6 . 1178 . 1 1 7 PRO HA H 6.368 2.389 -0.134 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 6 . 1179 . 1 1 7 PRO HB3 H 6.278 2.170 2.151 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1180 . 1 1 7 PRO HD3 H 7.729 4.772 2.199 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 6 . 1181 . 1 1 7 PRO HG3 H 5.996 4.025 3.524 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 6 . 1182 . 1 1 7 PRO N N 6.684 4.413 0.396 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 6 . 1183 . 1 1 7 PRO O O 3.776 4.367 -0.081 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 6 . 1184 . 1 1 8 ILE C C 2.148 1.614 -2.046 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 6 . 1185 . 1 1 8 ILE CA C 3.083 2.799 -2.259 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 6 . 1186 . 1 1 8 ILE CB C 3.409 2.919 -3.759 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 6 . 1187 . 1 1 8 ILE CD1 C 5.736 3.829 -4.238 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1188 . 1 1 8 ILE CG1 C 4.276 4.152 -4.019 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 6 . 1189 . 1 1 8 ILE CG2 C 2.127 2.983 -4.575 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 6 . 1190 . 1 1 8 ILE H H 4.941 1.964 -1.687 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 6 . 1191 . 1 1 8 ILE HA H 2.577 3.703 -1.947 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 6 . 1192 . 1 1 8 ILE HB H 3.953 2.036 -4.058 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 6 . 1193 . 1 1 8 ILE HD11 H 6.089 3.193 -3.440 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 6 . 1194 . 1 1 8 ILE HD12 H 5.856 3.322 -5.183 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 6 . 1195 . 1 1 8 ILE HD13 H 6.311 4.745 -4.246 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 6 . 1196 . 1 1 8 ILE HG13 H 4.206 4.817 -3.169 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 6 . 1197 . 1 1 8 ILE HG21 H 2.359 3.292 -5.585 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 6 . 1198 . 1 1 8 ILE HG22 H 1.664 2.009 -4.596 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 6 . 1199 . 1 1 8 ILE HG23 H 1.450 3.695 -4.129 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 6 . 1200 . 1 1 8 ILE N N 4.294 2.664 -1.459 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 6 . 1201 . 1 1 8 ILE O O 2.453 0.490 -2.445 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 6 . 1202 . 1 1 9 CYS C C -1.060 0.817 -2.220 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 6 . 1203 . 1 1 9 CYS CA C 0.026 0.827 -1.148 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 6 . 1204 . 1 1 9 CYS CB C -0.604 1.029 0.231 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 6 . 1205 . 1 1 9 CYS H H 0.820 2.789 -1.120 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 6 . 1206 . 1 1 9 CYS HA H 0.539 -0.122 -1.165 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 6 . 1207 . 1 1 9 CYS HB3 H -1.469 0.388 0.320 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1208 . 1 1 9 CYS N N 1.008 1.873 -1.414 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 6 . 1209 . 1 1 9 CYS O O -1.745 1.817 -2.435 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 6 . 1210 . 1 1 9 CYS SG S 0.513 0.654 1.620 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 6 . 1211 . 1 1 10 HIS C C -3.498 -1.080 -3.384 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 6 . 1212 . 1 1 10 HIS CA C -2.217 -0.464 -3.938 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 6 . 1213 . 1 1 10 HIS CB C -1.674 -1.326 -5.079 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 6 . 1214 . 1 1 10 HIS CD2 C -1.867 -3.859 -5.603 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1215 . 1 1 10 HIS CE1 C -1.609 -4.629 -3.567 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1216 . 1 1 10 HIS CG C -1.700 -2.794 -4.784 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 6 . 1217 . 1 1 10 HIS H H -0.636 -1.083 -2.673 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 6 . 1218 . 1 1 10 HIS HA H -2.440 0.522 -4.318 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 6 . 1219 . 1 1 10 HIS HB3 H -0.651 -1.044 -5.278 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1220 . 1 1 10 HIS HD1 H -1.399 -2.787 -2.699 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1221 . 1 1 10 HIS HD2 H -2.021 -3.827 -6.673 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1222 . 1 1 10 HIS HE1 H -1.518 -5.299 -2.726 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1223 . 1 1 10 HIS N N -1.213 -0.322 -2.889 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 6 . 1224 . 1 1 10 HIS ND1 N -1.541 -3.309 -3.515 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 6 . 1225 . 1 1 10 HIS NE2 N -1.806 -4.986 -4.823 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 6 . 1226 . 1 1 10 HIS O O -4.256 -1.721 -4.112 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 6 . 1227 . 1 1 11 . C C -4.974 -0.997 0.027 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 6 . 1228 . 1 1 11 . CA C -4.921 -1.418 -1.439 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 6 . 1229 . 1 1 11 . CB C -6.183 -0.943 -2.162 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 6 . 1230 . 1 1 11 . CD1 C -6.162 0.713 -4.048 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1231 . 1 1 11 . CD2 C -5.906 1.528 -1.822 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1232 . 1 1 11 . CE1 C -6.069 2.003 -4.534 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1233 . 1 1 11 . CE2 C -5.811 2.819 -2.301 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 6 . 1234 . 1 1 11 . CG C -6.082 0.460 -2.688 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 6 . 1235 . 1 1 11 . CZ C -5.892 3.058 -3.659 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 6 . 1236 . 1 1 11 . H H -3.091 -0.362 -1.563 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 6 . 1237 . 1 1 11 . HA H -4.870 -2.494 -1.490 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 6 . 1238 . 1 1 11 . HB2 H -7.019 -0.982 -1.479 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 6 . 1239 . 1 1 11 . HB3 H -6.378 -1.597 -2.999 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1240 . 1 1 11 . HD1 H -6.299 -0.111 -4.733 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1241 . 1 1 11 . HD2 H -5.841 1.342 -0.758 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1242 . 1 1 11 . HE1 H -6.133 2.187 -5.596 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1243 . 1 1 11 . HE2 H -5.673 3.642 -1.614 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 6 . 1244 . 1 1 11 . HZ H -5.821 4.067 -4.036 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 6 . 1245 . 1 1 11 . N N -3.733 -0.882 -2.090 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 6 . 1246 . 1 1 11 . O O -4.397 0.018 0.414 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 6 . 1247 . 1 1 12 MMO C C -5.476 -2.732 3.098 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 6 . 1248 . 1 1 12 MMO CA C -5.800 -1.499 2.261 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 6 . 1249 . 1 1 12 MMO CB C -7.215 -1.011 2.579 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 6 . 1250 . 1 1 12 MMO CD C -8.888 0.862 2.478 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 6 . 1251 . 1 1 12 MMO CG C -7.516 0.376 2.033 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 6 . 1252 . 1 1 12 MMO CN C -6.328 -2.980 0.286 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 6 . 1253 . 1 1 12 MMO CZ C -11.186 -0.013 2.455 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 6 . 1254 . 1 1 12 MMO HA H -5.095 -0.717 2.506 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 6 . 1255 . 1 1 12 MMO HC1 H -7.005 -2.687 -0.516 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 6 . 1256 . 1 1 12 MMO HC2 H -6.893 -3.480 1.074 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 6 . 1257 . 1 1 12 MMO HC3 H -5.573 -3.663 -0.106 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 6 . 1258 . 1 1 12 MMO HCB1 H -7.926 -1.703 2.154 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 6 . 1259 . 1 1 12 MMO HCB2 H -7.341 -0.989 3.650 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 6 . 1260 . 1 1 12 MMO HCD1 H -8.934 0.834 3.557 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1261 . 1 1 12 MMO HCD2 H -9.022 1.878 2.140 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1262 . 1 1 12 MMO HCG1 H -6.769 1.066 2.397 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 6 . 1263 . 1 1 12 MMO HCG2 H -7.487 0.343 0.956 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 6 . 1264 . 1 1 12 MMO HH11 H -11.888 -1.341 1.101 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 6 . 1265 . 1 1 12 MMO HH12 H -13.030 -0.825 2.295 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 6 . 1266 . 1 1 12 MMO HH21 H -10.792 1.304 3.935 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 6 . 1267 . 1 1 12 MMO HH22 H -12.408 0.680 3.906 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 6 . 1268 . 1 1 12 MMO N N -5.671 -1.787 0.837 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 6 . 1269 . 1 1 12 MMO NE N -9.963 0.034 1.936 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 6 . 1270 . 1 1 12 MMO NH1 N -12.110 -0.790 1.904 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 6 . 1271 . 1 1 12 MMO NH2 N -11.486 0.715 3.519 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 6 . 1272 . 1 1 12 MMO O O -6.373 -3.468 3.508 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 6 . 1273 . 1 1 13 . C C -1.895 -2.839 2.470 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 6 . 1274 . 1 1 13 . CA C -3.152 -2.059 2.842 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 6 . 1275 . 1 1 13 . CB C -2.815 -0.994 3.889 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 6 . 1276 . 1 1 13 . CD1 C -4.502 -1.373 5.780 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1277 . 1 1 13 . CD2 C -4.763 0.565 4.688 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 6 . 1278 . 1 1 13 . CE2 C -5.744 0.480 5.695 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 6 . 1279 . 1 1 13 . CE3 C -4.732 1.700 3.873 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 6 . 1280 . 1 1 13 . CG C -3.978 -0.631 4.761 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 6 . 1281 . 1 1 13 . CH2 C -6.629 2.585 5.092 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 6 . 1282 . 1 1 13 . CN2 C -3.802 -4.124 4.145 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 6 . 1283 . 1 1 13 . CZ2 C -6.683 1.486 5.905 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 6 . 1284 . 1 1 13 . CZ3 C -5.663 2.696 4.082 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 6 . 1285 . 1 1 13 . HA H -3.534 -1.573 1.956 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 6 . 1286 . 1 1 13 . HB2 H -2.023 -1.362 4.524 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 6 . 1287 . 1 1 13 . HB3 H -2.483 -0.099 3.384 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1288 . 1 1 13 . HD1 H -4.126 -2.339 6.084 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 6 . 1289 . 1 1 13 . HE1 H -6.104 -1.039 7.096 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1290 . 1 1 13 . HE3 H -3.994 1.802 3.090 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 6 . 1291 . 1 1 13 . HH2 H -7.338 3.389 5.219 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 6 . 1292 . 1 1 13 . HN1 H -4.680 -4.522 4.651 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 6 . 1293 . 1 1 13 . HN2 H -3.056 -3.830 4.883 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 6 . 1294 . 1 1 13 . HN3 H -3.383 -4.887 3.489 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 6 . 1295 . 1 1 13 . HZ2 H -7.433 1.415 6.679 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 6 . 1296 . 1 1 13 . HZ3 H -5.654 3.581 3.462 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 6 . 1297 . 1 1 13 . N N -4.188 -2.952 3.345 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 6 . 1298 . 1 1 13 . NE1 N -5.564 -0.711 6.346 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 6 . 1299 . 1 1 13 . O O -1.152 -3.291 3.344 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 6 . 1300 . 1 1 14 ARG C C 0.463 -2.784 -0.046 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 6 . 1301 . 1 1 14 ARG CA C -0.496 -3.721 0.687 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 6 . 1302 . 1 1 14 ARG CB C -0.927 -4.856 -0.244 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 6 . 1303 . 1 1 14 ARG CD C -0.290 -7.234 -0.753 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 6 . 1304 . 1 1 14 ARG CG C -0.681 -6.241 0.330 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 6 . 1305 . 1 1 14 ARG CZ C -1.420 -9.322 -0.118 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 6 . 1306 . 1 1 14 ARG H H -2.290 -2.611 0.524 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 6 . 1307 . 1 1 14 ARG HA H 0.012 -4.142 1.541 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 6 . 1308 . 1 1 14 ARG HB3 H -0.379 -4.773 -1.171 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 6 . 1309 . 1 1 14 ARG HD3 H 0.648 -7.693 -0.481 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 6 . 1310 . 1 1 14 ARG HE H -1.908 -8.194 -1.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 6 . 1311 . 1 1 14 ARG HG3 H -1.584 -6.586 0.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 6 . 1312 . 1 1 14 ARG HH11 H 0.103 -8.779 1.091 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 6 . 1313 . 1 1 14 ARG HH12 H -0.701 -10.249 1.527 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 6 . 1314 . 1 1 14 ARG HH21 H -2.977 -10.129 -1.125 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 6 . 1315 . 1 1 14 ARG HH22 H -2.453 -11.016 0.265 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 6 . 1316 . 1 1 14 ARG N N -1.662 -2.994 1.172 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 6 . 1317 . 1 1 14 ARG NE N -1.297 -8.277 -0.929 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 6 . 1318 . 1 1 14 ARG NH1 N -0.606 -9.463 0.918 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 6 . 1319 . 1 1 14 ARG NH2 N -2.361 -10.231 -0.345 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 6 . 1320 . 1 1 14 ARG O O 0.249 -2.449 -1.210 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 7 . 1321 . 1 1 1 CYS C C 2.682 -2.789 0.589 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 7 . 1322 . 1 1 1 CYS CA C 1.408 -2.128 1.109 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 7 . 1323 . 1 1 1 CYS CB C 1.709 -1.369 2.404 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 7 . 1324 . 1 1 1 CYS H1 H 0.222 -3.466 2.242 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 7 . 1325 . 1 1 1 CYS HA H 1.051 -1.431 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 7 . 1326 . 1 1 1 CYS HB3 H 2.544 -0.705 2.237 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1327 . 1 1 1 CYS N N 0.364 -3.119 1.335 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 7 . 1328 . 1 1 1 CYS O O 2.896 -3.987 0.779 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 7 . 1329 . 1 1 1 CYS SG S 0.317 -0.367 3.017 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 7 . 1330 . 1 1 2 THR C C 5.972 -1.979 0.159 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 7 . 1331 . 1 1 2 THR CA C 4.774 -2.507 -0.622 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 7 . 1332 . 1 1 2 THR CB C 4.932 -2.124 -2.106 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 7 . 1333 . 1 1 2 THR CG2 C 3.736 -2.601 -2.917 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 7 . 1334 . 1 1 2 THR H H 3.297 -1.054 -0.190 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 7 . 1335 . 1 1 2 THR HA H 4.758 -3.586 -0.550 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 7 . 1336 . 1 1 2 THR HB H 5.822 -2.600 -2.491 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 7 . 1337 . 1 1 2 THR HG1 H 5.904 -0.428 -1.854 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 7 . 1338 . 1 1 2 THR HG21 H 2.829 -2.424 -2.358 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 7 . 1339 . 1 1 2 THR HG22 H 3.836 -3.656 -3.119 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 7 . 1340 . 1 1 2 THR HG23 H 3.696 -2.058 -3.849 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 7 . 1341 . 1 1 2 THR N N 3.523 -2.001 -0.072 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 7 . 1342 . 1 1 2 THR O O 5.821 -1.423 1.246 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 7 . 1343 . 1 1 2 THR OG1 O 5.067 -0.705 -2.233 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 7 . 1344 . 1 1 3 ALA C C 9.162 -0.748 -0.673 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 7 . 1345 . 1 1 3 ALA CA C 8.388 -1.694 0.238 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 7 . 1346 . 1 1 3 ALA CB C 9.257 -2.878 0.632 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 7 . 1347 . 1 1 3 ALA H H 7.220 -2.607 -1.272 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 7 . 1348 . 1 1 3 ALA HA H 8.113 -1.165 1.139 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 7 . 1349 . 1 1 3 ALA HB1 H 9.996 -2.559 1.352 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 7 . 1350 . 1 1 3 ALA HB2 H 8.639 -3.650 1.068 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 7 . 1351 . 1 1 3 ALA HB3 H 9.754 -3.268 -0.243 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1352 . 1 1 3 ALA N N 7.162 -2.156 -0.404 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 7 . 1353 . 1 1 3 ALA O O 10.239 -1.087 -1.167 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 7 . 1354 . 1 1 4 SER C C 9.631 2.673 -0.951 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 7 . 1355 . 1 1 4 SER CA C 9.245 1.434 -1.752 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 7 . 1356 . 1 1 4 SER CB C 8.309 1.823 -2.898 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 7 . 1357 . 1 1 4 SER H H 7.748 0.651 -0.475 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 7 . 1358 . 1 1 4 SER HA H 10.140 0.991 -2.164 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 7 . 1359 . 1 1 4 SER HB3 H 8.897 2.170 -3.736 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1360 . 1 1 4 SER HG H 7.768 0.477 -4.214 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 7 . 1361 . 1 1 4 SER N N 8.608 0.440 -0.895 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 7 . 1362 . 1 1 4 SER O O 9.194 2.851 0.186 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 7 . 1363 . 1 1 4 SER OG O 7.527 0.718 -3.317 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 7 . 1364 . 1 1 5 ILE C C 10.649 5.967 -1.780 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 7 . 1365 . 1 1 5 ILE CA C 10.898 4.748 -0.898 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 7 . 1366 . 1 1 5 ILE CB C 12.395 4.684 -0.541 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 7 . 1367 . 1 1 5 ILE CD1 C 12.091 6.524 1.190 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1368 . 1 1 5 ILE CG1 C 12.874 6.035 -0.008 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 7 . 1369 . 1 1 5 ILE CG2 C 13.212 4.269 -1.757 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 7 . 1370 . 1 1 5 ILE H H 10.768 3.327 -2.459 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 7 . 1371 . 1 1 5 ILE HA H 10.335 4.859 0.019 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 7 . 1372 . 1 1 5 ILE HB H 12.529 3.935 0.224 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 7 . 1373 . 1 1 5 ILE HD11 H 11.257 7.122 0.854 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 7 . 1374 . 1 1 5 ILE HD12 H 11.727 5.677 1.752 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 7 . 1375 . 1 1 5 ILE HD13 H 12.733 7.125 1.818 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 7 . 1376 . 1 1 5 ILE HG13 H 12.782 6.775 -0.791 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 7 . 1377 . 1 1 5 ILE HG21 H 14.004 4.984 -1.920 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 7 . 1378 . 1 1 5 ILE HG22 H 13.639 3.293 -1.587 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 7 . 1379 . 1 1 5 ILE HG23 H 12.572 4.236 -2.627 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 7 . 1380 . 1 1 5 ILE N N 10.454 3.525 -1.553 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 7 . 1381 . 1 1 5 ILE O O 11.364 6.217 -2.751 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 7 . 1382 . 1 1 6 PRO C C 7.884 5.223 -0.501 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 7 . 1383 . 1 1 6 PRO CA C 8.755 6.456 -0.282 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 7 . 1384 . 1 1 6 PRO CB C 7.887 7.711 -0.163 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 7 . 1385 . 1 1 6 PRO CD C 9.196 7.966 -2.145 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 7 . 1386 . 1 1 6 PRO CG C 7.859 8.285 -1.537 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 7 . 1387 . 1 1 6 PRO HA H 9.334 6.329 0.622 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 7 . 1388 . 1 1 6 PRO HB3 H 8.333 8.395 0.543 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1389 . 1 1 6 PRO HD3 H 9.894 8.771 -1.966 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 7 . 1390 . 1 1 6 PRO HG3 H 7.717 9.353 -1.484 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 7 . 1391 . 1 1 6 PRO N N 9.612 6.745 -1.435 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 7 . 1392 . 1 1 6 PRO O O 7.786 4.692 -1.607 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 7 . 1393 . 1 1 7 PRO C C 5.077 3.848 -0.254 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 7 . 1394 . 1 1 7 PRO CA C 6.361 3.582 0.526 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 7 . 1395 . 1 1 7 PRO CB C 6.046 3.311 1.998 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 7 . 1396 . 1 1 7 PRO CD C 7.307 5.340 1.926 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 7 . 1397 . 1 1 7 PRO CG C 6.209 4.629 2.671 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 7 . 1398 . 1 1 7 PRO HA H 6.867 2.728 0.101 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 7 . 1399 . 1 1 7 PRO HB3 H 6.737 2.579 2.390 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1400 . 1 1 7 PRO HD3 H 8.264 5.138 2.383 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 7 . 1401 . 1 1 7 PRO HG3 H 6.492 4.483 3.703 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 7 . 1402 . 1 1 7 PRO N N 7.236 4.757 0.576 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 7 . 1403 . 1 1 7 PRO O O 4.518 4.944 -0.190 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 7 . 1404 . 1 1 8 ILE C C 2.486 1.758 -1.579 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 7 . 1405 . 1 1 8 ILE CA C 3.396 2.967 -1.775 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 7 . 1406 . 1 1 8 ILE CB C 3.710 3.123 -3.274 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 7 . 1407 . 1 1 8 ILE CD1 C 2.368 1.413 -4.599 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1408 . 1 1 8 ILE CG1 C 2.460 2.842 -4.111 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 7 . 1409 . 1 1 8 ILE CG2 C 4.843 2.192 -3.677 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 7 . 1410 . 1 1 8 ILE H H 5.104 1.992 -0.995 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 7 . 1411 . 1 1 8 ILE HA H 2.874 3.854 -1.443 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 7 . 1412 . 1 1 8 ILE HB H 4.030 4.138 -3.449 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 7 . 1413 . 1 1 8 ILE HD11 H 2.732 0.746 -3.833 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 7 . 1414 . 1 1 8 ILE HD12 H 1.340 1.175 -4.828 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 7 . 1415 . 1 1 8 ILE HD13 H 2.969 1.298 -5.490 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 7 . 1416 . 1 1 8 ILE HG13 H 2.462 3.490 -4.976 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 7 . 1417 . 1 1 8 ILE HG21 H 4.959 2.209 -4.751 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 7 . 1418 . 1 1 8 ILE HG22 H 5.761 2.521 -3.214 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 7 . 1419 . 1 1 8 ILE HG23 H 4.616 1.187 -3.355 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 7 . 1420 . 1 1 8 ILE N N 4.614 2.842 -0.986 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 7 . 1421 . 1 1 8 ILE O O 2.943 0.614 -1.596 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 7 . 1422 . 1 1 9 CYS C C -0.686 0.813 -2.419 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 7 . 1423 . 1 1 9 CYS CA C 0.221 0.953 -1.199 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 7 . 1424 . 1 1 9 CYS CB C -0.621 1.229 0.047 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 7 . 1425 . 1 1 9 CYS H H 0.892 2.952 -1.393 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 7 . 1426 . 1 1 9 CYS HA H 0.762 0.030 -1.061 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 7 . 1427 . 1 1 9 CYS HB3 H -1.458 0.545 0.065 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1428 . 1 1 9 CYS N N 1.196 2.019 -1.397 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 7 . 1429 . 1 1 9 CYS O O -0.926 1.782 -3.142 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 7 . 1430 . 1 1 9 CYS SG S 0.286 1.037 1.615 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 7 . 1431 . 1 1 10 HIS C C -3.377 -1.293 -3.306 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 7 . 1432 . 1 1 10 HIS CA C -2.068 -0.664 -3.772 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 7 . 1433 . 1 1 10 HIS CB C -1.376 -1.585 -4.779 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 7 . 1434 . 1 1 10 HIS CD2 C -0.015 -3.485 -3.653 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1435 . 1 1 10 HIS CE1 C -1.529 -5.069 -3.759 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1436 . 1 1 10 HIS CG C -1.113 -2.961 -4.247 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 7 . 1437 . 1 1 10 HIS H H -0.959 -1.128 -2.030 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 7 . 1438 . 1 1 10 HIS HA H -2.287 0.278 -4.252 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 7 . 1439 . 1 1 10 HIS HB3 H -0.429 -1.152 -5.063 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1440 . 1 1 10 HIS HD1 H -2.943 -3.911 -4.677 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1441 . 1 1 10 HIS HD2 H 0.911 -2.968 -3.447 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1442 . 1 1 10 HIS HE1 H -2.026 -6.022 -3.662 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1443 . 1 1 10 HIS N N -1.186 -0.397 -2.642 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 7 . 1444 . 1 1 10 HIS ND1 N -2.042 -3.978 -4.300 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 7 . 1445 . 1 1 10 HIS NE2 N -0.298 -4.797 -3.358 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 7 . 1446 . 1 1 10 HIS O O -4.027 -2.026 -4.052 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 7 . 1447 . 1 1 11 . C C -5.184 -1.055 -0.065 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 7 . 1448 . 1 1 11 . CA C -4.990 -1.538 -1.499 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 7 . 1449 . 1 1 11 . CB C -6.191 -1.130 -2.355 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 7 . 1450 . 1 1 11 . CD1 C -6.026 0.430 -4.313 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1451 . 1 1 11 . CD2 C -5.997 1.362 -2.118 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1452 . 1 1 11 . CE1 C -5.913 1.697 -4.855 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1453 . 1 1 11 . CE2 C -5.884 2.630 -2.654 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 7 . 1454 . 1 1 11 . CG C -6.068 0.248 -2.940 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 7 . 1455 . 1 1 11 . CZ C -5.843 2.798 -4.024 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 7 . 1456 . 1 1 11 . H H -3.198 -0.411 -1.520 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 7 . 1457 . 1 1 11 . HA H -4.911 -2.615 -1.496 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 7 . 1458 . 1 1 11 . HB2 H -7.082 -1.153 -1.745 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 7 . 1459 . 1 1 11 . HB3 H -6.298 -1.829 -3.169 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1460 . 1 1 11 . HD1 H -6.081 -0.431 -4.964 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1461 . 1 1 11 . HD2 H -6.030 1.231 -1.046 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1462 . 1 1 11 . HE1 H -5.881 1.824 -5.926 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1463 . 1 1 11 . HE2 H -5.829 3.488 -2.001 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 7 . 1464 . 1 1 11 . HZ H -5.754 3.789 -4.446 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 7 . 1465 . 1 1 11 . N N -3.758 -1.003 -2.067 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 7 . 1466 . 1 1 11 . O O -4.667 -0.008 0.325 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 7 . 1467 . 1 1 12 MMO C C -6.077 -2.702 3.007 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 7 . 1468 . 1 1 12 MMO CA C -6.197 -1.477 2.108 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 7 . 1469 . 1 1 12 MMO CB C -7.592 -0.862 2.246 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 7 . 1470 . 1 1 12 MMO CD C -8.998 1.213 2.401 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 7 . 1471 . 1 1 12 MMO CG C -7.591 0.657 2.251 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 7 . 1472 . 1 1 12 MMO CN C -6.513 -3.059 0.165 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 7 . 1473 . 1 1 12 MMO CZ C -10.256 -0.101 4.054 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 7 . 1474 . 1 1 12 MMO HA H -5.461 -0.748 2.412 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 7 . 1475 . 1 1 12 MMO HC1 H -7.142 -3.534 0.917 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 7 . 1476 . 1 1 12 MMO HC2 H -5.710 -3.740 -0.119 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 7 . 1477 . 1 1 12 MMO HC3 H -7.111 -2.818 -0.714 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 7 . 1478 . 1 1 12 MMO HCB1 H -8.204 -1.199 1.423 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 7 . 1479 . 1 1 12 MMO HCB2 H -8.031 -1.204 3.172 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 7 . 1480 . 1 1 12 MMO HCD1 H -8.971 2.278 2.221 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1481 . 1 1 12 MMO HCD2 H -9.638 0.741 1.671 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1482 . 1 1 12 MMO HCG1 H -6.988 1.005 3.075 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 7 . 1483 . 1 1 12 MMO HCG2 H -7.171 1.008 1.321 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 7 . 1484 . 1 1 12 MMO HH11 H -10.527 0.447 5.981 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 7 . 1485 . 1 1 12 MMO HH12 H -11.254 -1.058 5.529 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 7 . 1486 . 1 1 12 MMO HH21 H -10.163 -0.919 2.209 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 7 . 1487 . 1 1 12 MMO HH22 H -11.047 -1.836 3.384 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 7 . 1488 . 1 1 12 MMO N N -5.935 -1.825 0.717 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 7 . 1489 . 1 1 12 MMO NE N -9.543 0.973 3.735 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 7 . 1490 . 1 1 12 MMO NH1 N -10.717 -0.249 5.289 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 7 . 1491 . 1 1 12 MMO NH2 N -10.510 -1.028 3.141 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 7 . 1492 . 1 1 12 MMO O O -7.081 -3.301 3.396 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 7 . 1493 . 1 1 13 . C C -2.545 -3.295 2.493 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 7 . 1494 . 1 1 13 . CA C -3.675 -2.338 2.857 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 7 . 1495 . 1 1 13 . CB C -3.199 -1.347 3.920 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 7 . 1496 . 1 1 13 . CD1 C -5.051 -1.261 5.690 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1497 . 1 1 13 . CD2 C -4.842 0.614 4.484 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 7 . 1498 . 1 1 13 . CE2 C -5.886 0.791 5.412 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 7 . 1499 . 1 1 13 . CE3 C -4.527 1.664 3.616 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 7 . 1500 . 1 1 13 . CG C -4.321 -0.706 4.678 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 7 . 1501 . 1 1 13 . CH2 C -6.286 2.985 4.634 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 7 . 1502 . 1 1 13 . CN2 C -4.650 -4.244 4.199 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 7 . 1503 . 1 1 13 . CZ2 C -6.615 1.975 5.496 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 7 . 1504 . 1 1 13 . CZ3 C -5.252 2.837 3.699 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 7 . 1505 . 1 1 13 . HA H -3.967 -1.792 1.973 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 7 . 1506 . 1 1 13 . HB2 H -2.572 -1.865 4.630 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 7 . 1507 . 1 1 13 . HB3 H -2.628 -0.565 3.443 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1508 . 1 1 13 . HD1 H -4.900 -2.258 6.072 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 7 . 1509 . 1 1 13 . HE1 H -6.639 -0.531 6.856 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1510 . 1 1 13 . HE3 H -3.735 1.568 2.890 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 7 . 1511 . 1 1 13 . HH2 H -6.825 3.919 4.664 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 7 . 1512 . 1 1 13 . HN1 H -3.616 -4.280 4.537 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 7 . 1513 . 1 1 13 . HN2 H -4.882 -5.150 3.640 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 7 . 1514 . 1 1 13 . HN3 H -5.313 -4.172 5.062 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 7 . 1515 . 1 1 13 . HZ2 H -7.415 2.105 6.210 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 7 . 1516 . 1 1 13 . HZ3 H -5.023 3.659 3.037 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 7 . 1517 . 1 1 13 . N N -4.843 -3.071 3.334 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 7 . 1518 . 1 1 13 . NE1 N -5.995 -0.366 6.135 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 7 . 1519 . 1 1 13 . O O -1.725 -3.652 3.340 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 7 . 1520 . 1 1 14 ARG C C -0.205 -3.864 0.384 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 7 . 1521 . 1 1 14 ARG CA C -1.477 -4.622 0.755 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 7 . 1522 . 1 1 14 ARG CB C -1.983 -5.411 -0.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 7 . 1523 . 1 1 14 ARG CD C -3.862 -6.435 0.865 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 7 . 1524 . 1 1 14 ARG CG C -2.702 -6.698 -0.082 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 7 . 1525 . 1 1 14 ARG CZ C -3.444 -7.837 2.841 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 7 . 1526 . 1 1 14 ARG H H -3.189 -3.386 0.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 7 . 1527 . 1 1 14 ARG HA H -1.252 -5.310 1.555 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 7 . 1528 . 1 1 14 ARG HB3 H -1.143 -5.662 -1.082 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 7 . 1529 . 1 1 14 ARG HD3 H -4.671 -7.107 0.615 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 7 . 1530 . 1 1 14 ARG HE H -3.258 -5.852 2.790 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 7 . 1531 . 1 1 14 ARG HG3 H -2.001 -7.365 0.398 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 7 . 1532 . 1 1 14 ARG HH11 H -4.011 -8.848 1.187 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 7 . 1533 . 1 1 14 ARG HH12 H -3.712 -9.823 2.587 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 7 . 1534 . 1 1 14 ARG HH21 H -2.862 -7.126 4.641 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 7 . 1535 . 1 1 14 ARG HH22 H -3.059 -8.843 4.552 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 7 . 1536 . 1 1 14 ARG N N -2.507 -3.705 1.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 7 . 1537 . 1 1 14 ARG NE N -3.489 -6.643 2.261 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 7 . 1538 . 1 1 14 ARG NH1 N -3.748 -8.926 2.149 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 7 . 1539 . 1 1 14 ARG NH2 N -3.092 -7.944 4.116 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 7 . 1540 . 1 1 14 ARG O O 0.188 -3.826 -0.782 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 8 . 1541 . 1 1 1 CYS C C 3.519 -2.718 -0.709 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 8 . 1542 . 1 1 1 CYS CA C 2.611 -1.691 -0.036 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 8 . 1543 . 1 1 1 CYS CB C 3.387 -0.938 1.045 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 8 . 1544 . 1 1 1 CYS H1 H 1.303 -2.303 1.510 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 8 . 1545 . 1 1 1 CYS HA H 2.273 -0.987 -0.782 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 8 . 1546 . 1 1 1 CYS HB3 H 4.311 -0.569 0.624 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1547 . 1 1 1 CYS N N 1.436 -2.335 0.539 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 8 . 1548 . 1 1 1 CYS O O 3.598 -3.869 -0.278 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 8 . 1549 . 1 1 1 CYS SG S 2.491 0.484 1.748 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 8 . 1550 . 1 1 2 THR C C 6.174 -2.377 -3.236 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 8 . 1551 . 1 1 2 THR CA C 5.103 -3.173 -2.499 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 8 . 1552 . 1 1 2 THR CB C 4.338 -4.043 -3.513 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 8 . 1553 . 1 1 2 THR CG2 C 3.769 -3.190 -4.637 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 8 . 1554 . 1 1 2 THR H H 4.096 -1.365 -2.061 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 8 . 1555 . 1 1 2 THR HA H 5.583 -3.829 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 8 . 1556 . 1 1 2 THR HB H 3.520 -4.531 -3.003 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 8 . 1557 . 1 1 2 THR HG1 H 4.900 -5.292 -4.934 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 8 . 1558 . 1 1 2 THR HG21 H 4.195 -3.504 -5.579 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 8 . 1559 . 1 1 2 THR HG22 H 4.015 -2.153 -4.460 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 8 . 1560 . 1 1 2 THR HG23 H 2.696 -3.306 -4.670 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 8 . 1561 . 1 1 2 THR N N 4.203 -2.293 -1.766 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 8 . 1562 . 1 1 2 THR O O 6.675 -2.804 -4.274 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 8 . 1563 . 1 1 2 THR OG1 O 5.209 -5.041 -4.059 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 8 . 1564 . 1 1 3 ALA C C 8.346 0.368 -2.226 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 8 . 1565 . 1 1 3 ALA CA C 7.534 -0.359 -3.294 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 8 . 1566 . 1 1 3 ALA CB C 6.885 0.640 -4.239 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 8 . 1567 . 1 1 3 ALA H H 6.085 -0.927 -1.860 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 8 . 1568 . 1 1 3 ALA HA H 8.199 -0.985 -3.872 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 8 . 1569 . 1 1 3 ALA HB1 H 7.185 1.641 -3.964 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 8 . 1570 . 1 1 3 ALA HB2 H 7.201 0.435 -5.250 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 8 . 1571 . 1 1 3 ALA HB3 H 5.811 0.554 -4.172 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1572 . 1 1 3 ALA N N 6.521 -1.215 -2.689 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 8 . 1573 . 1 1 3 ALA O O 7.800 0.826 -1.222 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 8 . 1574 . 1 1 4 SER C C 10.067 2.563 -1.231 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 8 . 1575 . 1 1 4 SER CA C 10.539 1.139 -1.505 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 8 . 1576 . 1 1 4 SER CB C 11.970 1.159 -2.045 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 8 . 1577 . 1 1 4 SER H H 10.026 0.086 -3.270 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 8 . 1578 . 1 1 4 SER HA H 10.519 0.582 -0.581 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 8 . 1579 . 1 1 4 SER HB3 H 12.656 1.337 -1.230 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1580 . 1 1 4 SER HG H 12.421 -0.746 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 8 . 1581 . 1 1 4 SER N N 9.651 0.471 -2.451 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 8 . 1582 . 1 1 4 SER O O 9.302 3.137 -2.009 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 8 . 1583 . 1 1 4 SER OG O 12.301 -0.074 -2.659 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 8 . 1584 . 1 1 5 ILE C C 10.358 5.456 -0.903 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 8 . 1585 . 1 1 5 ILE CA C 10.154 4.487 0.256 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 8 . 1586 . 1 1 5 ILE CB C 10.963 4.976 1.472 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 8 . 1587 . 1 1 5 ILE CD1 C 9.468 6.342 3.013 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1588 . 1 1 5 ILE CG1 C 10.491 6.368 1.899 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 8 . 1589 . 1 1 5 ILE CG2 C 12.450 4.994 1.144 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 8 . 1590 . 1 1 5 ILE H H 11.133 2.622 0.458 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 8 . 1591 . 1 1 5 ILE HA H 9.106 4.481 0.525 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 8 . 1592 . 1 1 5 ILE HB H 10.805 4.285 2.284 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 8 . 1593 . 1 1 5 ILE HD11 H 9.457 5.363 3.470 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 8 . 1594 . 1 1 5 ILE HD12 H 9.726 7.084 3.756 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 8 . 1595 . 1 1 5 ILE HD13 H 8.491 6.562 2.610 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 8 . 1596 . 1 1 5 ILE HG13 H 10.044 6.865 1.049 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 8 . 1597 . 1 1 5 ILE HG21 H 12.649 4.303 0.338 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 8 . 1598 . 1 1 5 ILE HG22 H 12.741 5.989 0.845 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 8 . 1599 . 1 1 5 ILE HG23 H 13.013 4.699 2.017 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 8 . 1600 . 1 1 5 ILE N N 10.527 3.130 -0.121 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 8 . 1601 . 1 1 5 ILE O O 11.421 5.502 -1.525 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 8 . 1602 . 1 1 6 PRO C C 7.273 4.922 -0.739 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 8 . 1603 . 1 1 6 PRO CA C 8.053 6.204 -0.468 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 8 . 1604 . 1 1 6 PRO CB C 7.287 7.417 -1.005 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 8 . 1605 . 1 1 6 PRO CD C 9.306 7.256 -2.276 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 8 . 1606 . 1 1 6 PRO CG C 7.858 7.655 -2.360 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 8 . 1607 . 1 1 6 PRO HA H 8.204 6.314 0.596 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 8 . 1608 . 1 1 6 PRO HB3 H 7.448 8.265 -0.355 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1609 . 1 1 6 PRO HD3 H 9.917 8.109 -2.016 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 8 . 1610 . 1 1 6 PRO HG3 H 7.772 8.700 -2.617 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 8 . 1611 . 1 1 6 PRO N N 9.321 6.251 -1.201 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 8 . 1612 . 1 1 6 PRO O O 7.228 4.419 -1.861 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 8 . 1613 . 1 1 7 PRO C C 4.566 3.348 -0.578 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 8 . 1614 . 1 1 7 PRO CA C 5.853 3.147 0.214 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 8 . 1615 . 1 1 7 PRO CB C 5.536 2.810 1.673 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 8 . 1616 . 1 1 7 PRO CD C 6.653 4.924 1.682 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 8 . 1617 . 1 1 7 PRO CG C 5.598 4.117 2.386 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 8 . 1618 . 1 1 7 PRO HA H 6.425 2.343 -0.227 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 8 . 1619 . 1 1 7 PRO HB3 H 6.273 2.118 2.054 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1620 . 1 1 7 PRO HD3 H 7.615 4.775 2.148 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 8 . 1621 . 1 1 7 PRO HG3 H 5.874 3.959 3.418 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 8 . 1622 . 1 1 7 PRO N N 6.643 4.378 0.314 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 8 . 1623 . 1 1 7 PRO O O 3.719 4.161 -0.209 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 8 . 1624 . 1 1 8 ILE C C 2.270 1.553 -2.226 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 8 . 1625 . 1 1 8 ILE CA C 3.240 2.695 -2.511 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 8 . 1626 . 1 1 8 ILE CB C 3.609 2.679 -4.006 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 8 . 1627 . 1 1 8 ILE CD1 C 4.814 4.892 -3.644 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1628 . 1 1 8 ILE CG1 C 4.873 3.507 -4.250 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 8 . 1629 . 1 1 8 ILE CG2 C 2.454 3.208 -4.843 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 8 . 1630 . 1 1 8 ILE H H 5.135 1.969 -1.910 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 8 . 1631 . 1 1 8 ILE HA H 2.749 3.633 -2.292 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 8 . 1632 . 1 1 8 ILE HB H 3.795 1.657 -4.297 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 8 . 1633 . 1 1 8 ILE HD11 H 3.874 5.357 -3.897 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 8 . 1634 . 1 1 8 ILE HD12 H 4.903 4.820 -2.570 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 8 . 1635 . 1 1 8 ILE HD13 H 5.626 5.490 -4.034 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 8 . 1636 . 1 1 8 ILE HG13 H 5.022 3.616 -5.314 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 8 . 1637 . 1 1 8 ILE HG21 H 2.833 3.886 -5.592 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 8 . 1638 . 1 1 8 ILE HG22 H 1.954 2.382 -5.326 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 8 . 1639 . 1 1 8 ILE HG23 H 1.756 3.729 -4.204 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 8 . 1640 . 1 1 8 ILE N N 4.425 2.600 -1.668 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 8 . 1641 . 1 1 8 ILE O O 2.556 0.392 -2.524 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 8 . 1642 . 1 1 9 CYS C C -0.991 0.871 -2.383 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 8 . 1643 . 1 1 9 CYS CA C 0.108 0.892 -1.325 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 8 . 1644 . 1 1 9 CYS CB C -0.498 1.180 0.051 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 8 . 1645 . 1 1 9 CYS H H 0.952 2.831 -1.435 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 8 . 1646 . 1 1 9 CYS HA H 0.587 -0.073 -1.301 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 8 . 1647 . 1 1 9 CYS HB3 H -1.445 0.666 0.133 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1648 . 1 1 9 CYS N N 1.122 1.889 -1.649 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 8 . 1649 . 1 1 9 CYS O O -1.538 1.912 -2.748 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 8 . 1650 . 1 1 9 CYS SG S 0.545 0.655 1.448 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 8 . 1651 . 1 1 10 HIS C C -3.601 -1.110 -3.291 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 8 . 1652 . 1 1 10 HIS CA C -2.344 -0.482 -3.888 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 8 . 1653 . 1 1 10 HIS CB C -1.829 -1.342 -5.041 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 8 . 1654 . 1 1 10 HIS CD2 C -0.306 -3.219 -4.102 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1655 . 1 1 10 HIS CE1 C -1.701 -4.897 -4.308 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1656 . 1 1 10 HIS CG C -1.452 -2.732 -4.631 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 8 . 1657 . 1 1 10 HIS H H -0.841 -1.116 -2.541 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 8 . 1658 . 1 1 10 HIS HA H -2.593 0.499 -4.264 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 8 . 1659 . 1 1 10 HIS HB3 H -0.954 -0.873 -5.469 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1660 . 1 1 10 HIS HD1 H -3.219 -3.778 -5.100 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1661 . 1 1 10 HIS HD2 H 0.586 -2.653 -3.873 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1662 . 1 1 10 HIS HE1 H -2.127 -5.889 -4.277 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1663 . 1 1 10 HIS N N -1.311 -0.324 -2.871 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 8 . 1664 . 1 1 10 HIS ND1 N -2.306 -3.809 -4.748 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 8 . 1665 . 1 1 10 HIS NE2 N -0.485 -4.567 -3.910 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 8 . 1666 . 1 1 10 HIS O O -4.352 -1.797 -3.984 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 8 . 1667 . 1 1 11 . C C -5.000 -0.984 0.151 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 8 . 1668 . 1 1 11 . CA C -4.986 -1.413 -1.314 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 8 . 1669 . 1 1 11 . CB C -6.274 -0.953 -2.002 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 8 . 1670 . 1 1 11 . CD1 C -6.320 0.674 -3.911 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1671 . 1 1 11 . CD2 C -5.993 1.524 -1.707 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1672 . 1 1 11 . CE1 C -6.246 1.958 -4.420 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1673 . 1 1 11 . CE2 C -5.919 2.809 -2.211 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 8 . 1674 . 1 1 11 . CG C -6.194 0.443 -2.551 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 8 . 1675 . 1 1 11 . CZ C -6.046 3.026 -3.568 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 8 . 1676 . 1 1 11 . H H -3.186 -0.314 -1.504 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 8 . 1677 . 1 1 11 . HA H -4.928 -2.489 -1.361 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 8 . 1678 . 1 1 11 . HB2 H -7.085 -0.982 -1.290 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 8 . 1679 . 1 1 11 . HB3 H -6.493 -1.621 -2.821 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1680 . 1 1 11 . HD1 H -6.477 -0.162 -4.579 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1681 . 1 1 11 . HD2 H -5.894 1.355 -0.644 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1682 . 1 1 11 . HE1 H -6.347 2.124 -5.483 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1683 . 1 1 11 . HE2 H -5.762 3.642 -1.542 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 8 . 1684 . 1 1 11 . HZ H -5.988 4.029 -3.964 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 8 . 1685 . 1 1 11 . N N -3.823 -0.870 -2.003 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 8 . 1686 . 1 1 11 . O O -4.423 0.040 0.514 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 8 . 1687 . 1 1 12 MMO C C -5.388 -2.711 3.245 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 8 . 1688 . 1 1 12 MMO CA C -5.748 -1.484 2.412 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 8 . 1689 . 1 1 12 MMO CB C -7.155 -1.006 2.771 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 8 . 1690 . 1 1 12 MMO CD C -8.936 0.745 2.489 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 8 . 1691 . 1 1 12 MMO CG C -7.478 0.384 2.249 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 8 . 1692 . 1 1 12 MMO CN C -6.318 -2.985 0.463 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 8 . 1693 . 1 1 12 MMO CZ C -10.400 2.715 2.345 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 8 . 1694 . 1 1 12 MMO HA H -5.043 -0.696 2.633 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 8 . 1695 . 1 1 12 MMO HC1 H -5.567 -3.662 0.057 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 8 . 1696 . 1 1 12 MMO HC2 H -7.016 -2.702 -0.325 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 8 . 1697 . 1 1 12 MMO HC3 H -6.859 -3.482 1.268 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 8 . 1698 . 1 1 12 MMO HCB1 H -7.875 -1.698 2.356 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 8 . 1699 . 1 1 12 MMO HCB2 H -7.257 -0.996 3.846 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 8 . 1700 . 1 1 12 MMO HCD1 H -9.554 0.149 1.833 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1701 . 1 1 12 MMO HCD2 H -9.183 0.522 3.517 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1702 . 1 1 12 MMO HCG1 H -6.853 1.103 2.756 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 8 . 1703 . 1 1 12 MMO HCG2 H -7.279 0.414 1.187 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 8 . 1704 . 1 1 12 MMO HH11 H -9.775 4.564 1.824 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 8 . 1705 . 1 1 12 MMO HH12 H -11.465 4.426 2.180 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 8 . 1706 . 1 1 12 MMO HH21 H -11.326 1.005 2.897 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 8 . 1707 . 1 1 12 MMO HH22 H -12.347 2.402 2.792 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 8 . 1708 . 1 1 12 MMO N N -5.660 -1.779 0.988 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 8 . 1709 . 1 1 12 MMO NE N -9.199 2.158 2.234 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 8 . 1710 . 1 1 12 MMO NH1 N -10.561 4.008 2.096 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 8 . 1711 . 1 1 12 MMO NH2 N -11.443 1.979 2.707 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 8 . 1712 . 1 1 12 MMO O O -6.267 -3.438 3.709 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 8 . 1713 . 1 1 13 . C C -1.860 -2.851 2.402 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 8 . 1714 . 1 1 13 . CA C -3.076 -2.054 2.865 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 8 . 1715 . 1 1 13 . CB C -2.653 -1.004 3.894 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 8 . 1716 . 1 1 13 . CD1 C -4.243 -1.311 5.882 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1717 . 1 1 13 . CD2 C -4.526 0.609 4.763 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 8 . 1718 . 1 1 13 . CE2 C -5.453 0.565 5.822 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 8 . 1719 . 1 1 13 . CE3 C -4.517 1.725 3.921 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 8 . 1720 . 1 1 13 . CG C -3.761 -0.601 4.819 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 8 . 1721 . 1 1 13 . CH2 C -6.329 2.674 5.220 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 8 . 1722 . 1 1 13 . CN2 C -3.671 -4.101 4.220 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 8 . 1723 . 1 1 13 . CZ2 C -6.361 1.594 6.059 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 8 . 1724 . 1 1 13 . CZ3 C -5.418 2.745 4.159 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 8 . 1725 . 1 1 13 . HA H -3.510 -1.554 2.012 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 8 . 1726 . 1 1 13 . HB2 H -1.848 -1.401 4.493 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 8 . 1727 . 1 1 13 . HB3 H -2.311 -0.121 3.376 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1728 . 1 1 13 . HD1 H -3.869 -2.277 6.187 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 8 . 1729 . 1 1 13 . HE1 H -5.766 -0.918 7.273 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1730 . 1 1 13 . HE3 H -3.822 1.798 3.098 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 8 . 1731 . 1 1 13 . HH2 H -7.015 3.494 5.367 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 8 . 1732 . 1 1 13 . HN1 H -3.404 -4.918 3.551 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 8 . 1733 . 1 1 13 . HN2 H -4.489 -4.414 4.871 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 8 . 1734 . 1 1 13 . HN3 H -2.806 -3.833 4.828 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 8 . 1735 . 1 1 13 . HZ2 H -7.069 1.554 6.873 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 8 . 1736 . 1 1 13 . HZ3 H -5.426 3.616 3.518 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 8 . 1737 . 1 1 13 . N N -4.092 -2.936 3.429 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 8 . 1738 . 1 1 13 . NE1 N -5.261 -0.617 6.488 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 8 . 1739 . 1 1 13 . O O -1.078 -3.335 3.220 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 8 . 1740 . 1 1 14 ARG C C 0.393 -2.773 -0.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 8 . 1741 . 1 1 14 ARG CA C -0.587 -3.719 0.519 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 8 . 1742 . 1 1 14 ARG CB C -1.091 -4.762 -0.478 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 8 . 1743 . 1 1 14 ARG CD C -2.605 -6.738 -0.828 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 8 . 1744 . 1 1 14 ARG CG C -1.784 -5.947 0.177 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 8 . 1745 . 1 1 14 ARG CZ C -2.299 -8.590 -2.416 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 8 . 1746 . 1 1 14 ARG H H -2.364 -2.570 0.488 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 8 . 1747 . 1 1 14 ARG HA H -0.076 -4.222 1.327 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 8 . 1748 . 1 1 14 ARG HB3 H -0.252 -5.134 -1.047 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 8 . 1749 . 1 1 14 ARG HD3 H -2.970 -6.061 -1.587 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 8 . 1750 . 1 1 14 ARG HE H -0.893 -7.904 -1.179 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 8 . 1751 . 1 1 14 ARG HG3 H -2.437 -5.583 0.956 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 8 . 1752 . 1 1 14 ARG HH11 H -4.139 -7.755 -2.429 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 8 . 1753 . 1 1 14 ARG HH12 H -3.909 -9.062 -3.544 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 8 . 1754 . 1 1 14 ARG HH21 H -0.578 -9.626 -2.642 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 8 . 1755 . 1 1 14 ARG HH22 H -1.885 -10.126 -3.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 8 . 1756 . 1 1 14 ARG N N -1.708 -2.980 1.088 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 8 . 1757 . 1 1 14 ARG NE N -1.821 -7.790 -1.471 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 8 . 1758 . 1 1 14 ARG NH1 N -3.552 -8.459 -2.829 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 8 . 1759 . 1 1 14 ARG NH2 N -1.523 -9.524 -2.950 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 8 . 1760 . 1 1 14 ARG O O 0.193 -2.387 -1.321 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 9 . 1761 . 1 1 1 CYS C C 3.541 -2.562 -0.401 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 9 . 1762 . 1 1 1 CYS CA C 2.603 -1.522 0.205 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 9 . 1763 . 1 1 1 CYS CB C 3.325 -0.750 1.310 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 9 . 1764 . 1 1 1 CYS H1 H 1.097 -1.925 1.638 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 9 . 1765 . 1 1 1 CYS HA H 2.304 -0.831 -0.569 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 9 . 1766 . 1 1 1 CYS HB3 H 4.285 -0.419 0.941 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1767 . 1 1 1 CYS N N 1.399 -2.153 0.732 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 9 . 1768 . 1 1 1 CYS O O 3.653 -3.682 0.102 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 9 . 1769 . 1 1 1 CYS SG S 2.425 0.719 1.901 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 9 . 1770 . 1 1 2 THR C C 6.094 -2.314 -3.064 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 9 . 1771 . 1 1 2 THR CA C 5.141 -3.085 -2.157 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 9 . 1772 . 1 1 2 THR CB C 4.394 -4.138 -2.997 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 9 . 1773 . 1 1 2 THR CG2 C 3.584 -3.474 -4.101 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 9 . 1774 . 1 1 2 THR H H 4.083 -1.281 -1.835 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 9 . 1775 . 1 1 2 THR HA H 5.716 -3.599 -1.402 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 9 . 1776 . 1 1 2 THR HB H 3.716 -4.677 -2.350 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 9 . 1777 . 1 1 2 THR HG1 H 5.981 -5.304 -2.912 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 9 . 1778 . 1 1 2 THR HG21 H 3.717 -2.403 -4.051 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 9 . 1779 . 1 1 2 THR HG22 H 2.539 -3.715 -3.975 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 9 . 1780 . 1 1 2 THR HG23 H 3.924 -3.834 -5.062 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 9 . 1781 . 1 1 2 THR N N 4.215 -2.186 -1.482 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 9 . 1782 . 1 1 2 THR O O 6.569 -2.838 -4.071 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 9 . 1783 . 1 1 2 THR OG1 O 5.325 -5.060 -3.571 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 9 . 1784 . 1 1 3 ALA C C 8.269 0.494 -2.574 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 9 . 1785 . 1 1 3 ALA CA C 7.271 -0.224 -3.476 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 9 . 1786 . 1 1 3 ALA CB C 6.475 0.784 -4.292 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 9 . 1787 . 1 1 3 ALA H H 5.963 -0.705 -1.884 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 9 . 1788 . 1 1 3 ALA HA H 7.812 -0.859 -4.162 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 9 . 1789 . 1 1 3 ALA HB1 H 6.122 1.573 -3.644 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 9 . 1790 . 1 1 3 ALA HB2 H 7.108 1.204 -5.061 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 9 . 1791 . 1 1 3 ALA HB3 H 5.631 0.290 -4.751 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1792 . 1 1 3 ALA N N 6.371 -1.066 -2.698 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 9 . 1793 . 1 1 3 ALA O O 7.918 0.959 -1.489 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 9 . 1794 . 1 1 4 SER C C 10.116 2.621 -1.799 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 9 . 1795 . 1 1 4 SER CA C 10.565 1.238 -2.260 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 9 . 1796 . 1 1 4 SER CB C 11.841 1.356 -3.098 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 9 . 1797 . 1 1 4 SER H H 9.733 0.190 -3.901 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 9 . 1798 . 1 1 4 SER HA H 10.771 0.630 -1.391 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 9 . 1799 . 1 1 4 SER HB3 H 11.886 2.339 -3.542 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1800 . 1 1 4 SER HG H 13.279 0.248 -2.361 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 9 . 1801 . 1 1 4 SER N N 9.515 0.580 -3.029 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 9 . 1802 . 1 1 4 SER O O 9.255 3.244 -2.419 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 9 . 1803 . 1 1 4 SER OG O 12.995 1.162 -2.298 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 9 . 1804 . 1 1 5 ILE C C 10.386 5.471 -1.249 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 9 . 1805 . 1 1 5 ILE CA C 10.368 4.403 -0.161 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 9 . 1806 . 1 1 5 ILE CB C 11.339 4.813 0.961 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 9 . 1807 . 1 1 5 ILE CD1 C 10.147 3.175 2.501 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1808 . 1 1 5 ILE CG1 C 11.474 3.685 1.986 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 9 . 1809 . 1 1 5 ILE CG2 C 10.863 6.092 1.632 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 9 . 1810 . 1 1 5 ILE H H 11.386 2.549 -0.256 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 9 . 1811 . 1 1 5 ILE HA H 9.373 4.343 0.254 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 9 . 1812 . 1 1 5 ILE HB H 12.306 5.005 0.519 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 9 . 1813 . 1 1 5 ILE HD11 H 10.168 3.139 3.581 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 9 . 1814 . 1 1 5 ILE HD12 H 9.357 3.834 2.175 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 9 . 1815 . 1 1 5 ILE HD13 H 9.970 2.181 2.113 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 9 . 1816 . 1 1 5 ILE HG13 H 12.044 4.044 2.832 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 9 . 1817 . 1 1 5 ILE HG21 H 10.698 6.852 0.884 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 9 . 1818 . 1 1 5 ILE HG22 H 9.939 5.899 2.158 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 9 . 1819 . 1 1 5 ILE HG23 H 11.611 6.431 2.334 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 9 . 1820 . 1 1 5 ILE N N 10.707 3.093 -0.706 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 9 . 1821 . 1 1 5 ILE O O 11.323 5.572 -2.041 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 9 . 1822 . 1 1 6 PRO C C 7.367 4.930 -0.592 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 9 . 1823 . 1 1 6 PRO CA C 8.204 6.182 -0.352 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 9 . 1824 . 1 1 6 PRO CB C 7.379 7.439 -0.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 9 . 1825 . 1 1 6 PRO CD C 9.140 7.389 -2.252 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 9 . 1826 . 1 1 6 PRO CG C 7.706 7.796 -2.045 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 9 . 1827 . 1 1 6 PRO HA H 8.542 6.196 0.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 9 . 1828 . 1 1 6 PRO HB3 H 7.665 8.225 0.047 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1829 . 1 1 6 PRO HD3 H 9.802 8.213 -2.029 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 9 . 1830 . 1 1 6 PRO HG3 H 7.595 8.861 -2.189 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 9 . 1831 . 1 1 6 PRO N N 9.325 6.291 -1.288 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 9 . 1832 . 1 1 6 PRO O O 7.307 4.398 -1.701 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 9 . 1833 . 1 1 7 PRO C C 4.588 3.489 -0.411 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 9 . 1834 . 1 1 7 PRO CA C 5.859 3.251 0.397 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 9 . 1835 . 1 1 7 PRO CB C 5.517 2.970 1.862 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 9 . 1836 . 1 1 7 PRO CD C 6.731 5.029 1.821 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 9 . 1837 . 1 1 7 PRO CG C 5.634 4.293 2.539 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 9 . 1838 . 1 1 7 PRO HA H 6.395 2.409 -0.016 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 9 . 1839 . 1 1 7 PRO HB3 H 6.217 2.255 2.270 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1840 . 1 1 7 PRO HD3 H 7.683 4.849 2.300 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 9 . 1841 . 1 1 7 PRO HG3 H 5.896 4.151 3.578 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 9 . 1842 . 1 1 7 PRO N N 6.704 4.446 0.469 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 9 . 1843 . 1 1 7 PRO O O 3.828 4.417 -0.131 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 9 . 1844 . 1 1 8 ILE C C 2.224 1.602 -2.031 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 9 . 1845 . 1 1 8 ILE CA C 3.182 2.764 -2.260 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 9 . 1846 . 1 1 8 ILE CB C 3.564 2.816 -3.752 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 9 . 1847 . 1 1 8 ILE CD1 C 4.924 4.111 -5.469 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1848 . 1 1 8 ILE CG1 C 4.499 3.996 -4.021 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 9 . 1849 . 1 1 8 ILE CG2 C 2.314 2.915 -4.613 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 9 . 1850 . 1 1 8 ILE H H 5.006 1.927 -1.586 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 9 . 1851 . 1 1 8 ILE HA H 2.681 3.687 -2.004 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 9 . 1852 . 1 1 8 ILE HB H 4.072 1.898 -4.002 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 9 . 1853 . 1 1 8 ILE HD11 H 5.239 3.143 -5.830 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 9 . 1854 . 1 1 8 ILE HD12 H 4.094 4.465 -6.061 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 9 . 1855 . 1 1 8 ILE HD13 H 5.746 4.807 -5.547 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 9 . 1856 . 1 1 8 ILE HG13 H 5.390 3.882 -3.421 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 9 . 1857 . 1 1 8 ILE HG21 H 2.598 2.962 -5.655 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 9 . 1858 . 1 1 8 ILE HG22 H 1.692 2.047 -4.449 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 9 . 1859 . 1 1 8 ILE HG23 H 1.765 3.807 -4.350 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 9 . 1860 . 1 1 8 ILE N N 4.364 2.646 -1.413 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 9 . 1861 . 1 1 8 ILE O O 2.523 0.458 -2.373 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 9 . 1862 . 1 1 9 CYS C C -0.995 0.850 -2.279 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 9 . 1863 . 1 1 9 CYS CA C 0.061 0.883 -1.177 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 9 . 1864 . 1 1 9 CYS CB C -0.607 1.144 0.175 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 9 . 1865 . 1 1 9 CYS H H 0.883 2.832 -1.201 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 9 . 1866 . 1 1 9 CYS HA H 0.557 -0.074 -1.144 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 9 . 1867 . 1 1 9 CYS HB3 H -1.473 0.507 0.270 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1868 . 1 1 9 CYS N N 1.066 1.902 -1.451 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 9 . 1869 . 1 1 9 CYS O O -1.573 1.879 -2.631 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 9 . 1870 . 1 1 9 CYS SG S 0.472 0.830 1.608 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 9 . 1871 . 1 1 10 HIS C C -3.500 -1.160 -3.344 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 9 . 1872 . 1 1 10 HIS CA C -2.229 -0.506 -3.881 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 9 . 1873 . 1 1 10 HIS CB C -1.649 -1.349 -5.017 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 9 . 1874 . 1 1 10 HIS CD2 C -0.156 -3.277 -4.130 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1875 . 1 1 10 HIS CE1 C -1.623 -4.900 -4.251 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1876 . 1 1 10 HIS CG C -1.308 -2.750 -4.609 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 9 . 1877 . 1 1 10 HIS H H -0.750 -1.122 -2.497 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 9 . 1878 . 1 1 10 HIS HA H -2.476 0.473 -4.261 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 9 . 1879 . 1 1 10 HIS HB3 H -0.747 -0.880 -5.381 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1880 . 1 1 10 HIS HD1 H -3.134 -3.731 -4.980 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1881 . 1 1 10 HIS HD2 H 0.768 -2.743 -3.950 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1882 . 1 1 10 HIS HE1 H -2.085 -5.875 -4.189 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1883 . 1 1 10 HIS N N -1.243 -0.339 -2.820 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 9 . 1884 . 1 1 10 HIS ND1 N -2.206 -3.793 -4.673 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 9 . 1885 . 1 1 10 HIS NE2 N -0.378 -4.615 -3.917 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 9 . 1886 . 1 1 10 HIS O O -4.207 -1.856 -4.071 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 9 . 1887 . 1 1 11 . C C -5.054 -1.072 0.033 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 9 . 1888 . 1 1 11 . CA C -4.966 -1.495 -1.431 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 9 . 1889 . 1 1 11 . CB C -6.229 -1.058 -2.177 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 9 . 1890 . 1 1 11 . CD1 C -6.225 0.560 -4.093 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1891 . 1 1 11 . CD2 C -5.987 1.422 -1.884 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1892 . 1 1 11 . CE1 C -6.149 1.842 -4.605 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1893 . 1 1 11 . CE2 C -5.910 2.706 -2.390 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 9 . 1894 . 1 1 11 . CG C -6.145 0.337 -2.729 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 9 . 1895 . 1 1 11 . CZ C -5.990 2.917 -3.751 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 9 . 1896 . 1 1 11 . H H -3.178 -0.367 -1.536 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 9 . 1897 . 1 1 11 . HA H -4.885 -2.570 -1.478 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 9 . 1898 . 1 1 11 . HB2 H -7.069 -1.096 -1.500 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 9 . 1899 . 1 1 11 . HB3 H -6.403 -1.734 -3.000 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1900 . 1 1 11 . HD1 H -6.347 -0.278 -4.763 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1901 . 1 1 11 . HD2 H -5.924 1.258 -0.817 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1902 . 1 1 11 . HE1 H -6.212 2.004 -5.671 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1903 . 1 1 11 . HE2 H -5.786 3.544 -1.719 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 9 . 1904 . 1 1 11 . HZ H -5.932 3.919 -4.148 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 9 . 1905 . 1 1 11 . N N -3.781 -0.930 -2.065 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 9 . 1906 . 1 1 11 . O O -4.513 -0.039 0.424 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 9 . 1907 . 1 1 12 MMO C C -5.537 -2.807 3.102 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 9 . 1908 . 1 1 12 MMO CA C -5.898 -1.590 2.256 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 9 . 1909 . 1 1 12 MMO CB C -7.336 -1.158 2.552 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 9 . 1910 . 1 1 12 MMO CD C -8.994 0.730 2.615 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 9 . 1911 . 1 1 12 MMO CG C -7.666 0.240 2.057 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 9 . 1912 . 1 1 12 MMO CN C -6.352 -3.094 0.279 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 9 . 1913 . 1 1 12 MMO CZ C -10.103 1.893 0.754 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 9 . 1914 . 1 1 12 MMO HA H -5.229 -0.781 2.506 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 9 . 1915 . 1 1 12 MMO HC1 H -6.922 -3.605 1.055 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 9 . 1916 . 1 1 12 MMO HC2 H -5.571 -3.758 -0.093 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 9 . 1917 . 1 1 12 MMO HC3 H -7.018 -2.822 -0.542 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 9 . 1918 . 1 1 12 MMO HCB1 H -8.013 -1.853 2.078 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 9 . 1919 . 1 1 12 MMO HCB2 H -7.493 -1.185 3.620 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 9 . 1920 . 1 1 12 MMO HCD1 H -9.726 -0.056 2.504 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1921 . 1 1 12 MMO HCD2 H -8.866 0.959 3.662 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1922 . 1 1 12 MMO HCG1 H -6.885 0.917 2.371 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 9 . 1923 . 1 1 12 MMO HCG2 H -7.720 0.226 0.978 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 9 . 1924 . 1 1 12 MMO HH11 H -10.335 3.897 0.638 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 9 . 1925 . 1 1 12 MMO HH12 H -10.982 2.998 -0.692 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 9 . 1926 . 1 1 12 MMO HH21 H -10.031 -0.118 0.577 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 9 . 1927 . 1 1 12 MMO HH22 H -10.810 0.713 -0.727 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 9 . 1928 . 1 1 12 MMO N N -5.740 -1.879 0.835 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 9 . 1929 . 1 1 12 MMO NE N -9.471 1.924 1.922 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 9 . 1930 . 1 1 12 MMO NH1 N -10.507 3.023 0.187 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 9 . 1931 . 1 1 12 MMO NH2 N -10.333 0.734 0.151 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 9 . 1932 . 1 1 12 MMO O O -6.410 -3.568 3.520 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 9 . 1933 . 1 1 13 . C C -1.966 -2.812 2.445 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 9 . 1934 . 1 1 13 . CA C -3.234 -2.064 2.842 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 9 . 1935 . 1 1 13 . CB C -2.908 -1.000 3.890 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 9 . 1936 . 1 1 13 . CD1 C -4.586 -1.375 5.791 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1937 . 1 1 13 . CD2 C -4.885 0.536 4.663 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 9 . 1938 . 1 1 13 . CE2 C -5.863 0.453 5.673 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 9 . 1939 . 1 1 13 . CE3 C -4.874 1.656 3.828 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 9 . 1940 . 1 1 13 . CG C -4.077 -0.642 4.758 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 9 . 1941 . 1 1 13 . CH2 C -6.788 2.529 5.031 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 9 . 1942 . 1 1 13 . CN2 C -3.821 -4.137 4.161 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 9 . 1943 . 1 1 13 . CZ2 C -6.822 1.445 5.864 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 9 . 1944 . 1 1 13 . CZ3 C -5.826 2.639 4.018 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 9 . 1945 . 1 1 13 . HA H -3.641 -1.580 1.965 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 9 . 1946 . 1 1 13 . HB2 H -2.119 -1.365 4.530 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 9 . 1947 . 1 1 13 . HB3 H -2.576 -0.102 3.390 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1948 . 1 1 13 . HD1 H -4.193 -2.328 6.112 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 9 . 1949 . 1 1 13 . HE1 H -6.194 -1.048 7.101 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1950 . 1 1 13 . HE3 H -4.141 1.758 3.041 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 9 . 1951 . 1 1 13 . HH2 H -7.512 3.320 5.144 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 9 . 1952 . 1 1 13 . HN1 H -3.421 -4.912 3.507 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 9 . 1953 . 1 1 13 . HN2 H -4.676 -4.529 4.710 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 9 . 1954 . 1 1 13 . HN3 H -3.052 -3.821 4.865 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 9 . 1955 . 1 1 13 . HZ2 H -7.569 1.374 6.641 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 9 . 1956 . 1 1 13 . HZ3 H -5.833 3.512 3.380 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 9 . 1957 . 1 1 13 . N N -4.244 -2.985 3.351 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 9 . 1958 . 1 1 13 . NE1 N -5.660 -0.724 6.345 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 9 . 1959 . 1 1 13 . O O -1.210 -3.268 3.305 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 9 . 1960 . 1 1 14 ARG C C 0.410 -2.648 -0.017 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 9 . 1961 . 1 1 14 ARG CA C -0.559 -3.628 0.635 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 9 . 1962 . 1 1 14 ARG CB C -0.970 -4.703 -0.373 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 9 . 1963 . 1 1 14 ARG CD C -1.801 -7.040 -0.771 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 9 . 1964 . 1 1 14 ARG CG C -1.383 -6.016 0.271 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 9 . 1965 . 1 1 14 ARG CZ C -4.045 -7.688 -0.006 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 9 . 1966 . 1 1 14 ARG H H -2.376 -2.549 0.506 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 9 . 1967 . 1 1 14 ARG HA H -0.067 -4.101 1.471 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 9 . 1968 . 1 1 14 ARG HB3 H -0.138 -4.897 -1.033 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 9 . 1969 . 1 1 14 ARG HD3 H -0.924 -7.581 -1.098 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 9 . 1970 . 1 1 14 ARG HE H -2.465 -8.903 -0.059 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 9 . 1971 . 1 1 14 ARG HG3 H -2.213 -5.834 0.938 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 9 . 1972 . 1 1 14 ARG HH11 H -3.873 -5.767 -0.610 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 9 . 1973 . 1 1 14 ARG HH12 H -5.451 -6.236 -0.067 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 9 . 1974 . 1 1 14 ARG HH21 H -4.537 -9.533 0.658 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 9 . 1975 . 1 1 14 ARG HH22 H -5.827 -8.379 0.653 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 9 . 1976 . 1 1 14 ARG N N -1.737 -2.934 1.143 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 9 . 1977 . 1 1 14 ARG NE N -2.775 -7.993 -0.243 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 9 . 1978 . 1 1 14 ARG NH1 N -4.494 -6.463 -0.247 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 9 . 1979 . 1 1 14 ARG NH2 N -4.871 -8.609 0.475 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 9 . 1980 . 1 1 14 ARG O O 0.307 -2.358 -1.210 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 10 . 1981 . 1 1 1 CYS C C 2.737 -2.641 -0.460 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 10 . 1982 . 1 1 1 CYS CA C 1.557 -1.754 -0.073 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 10 . 1983 . 1 1 1 CYS CB C 1.895 -0.956 1.187 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 10 . 1984 . 1 1 1 CYS H1 H -0.510 -2.205 -0.161 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 10 . 1985 . 1 1 1 CYS HA H 1.358 -1.067 -0.882 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 10 . 1986 . 1 1 1 CYS HB3 H 2.660 -0.233 0.952 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 1987 . 1 1 1 CYS N N 0.356 -2.554 0.141 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 10 . 1988 . 1 1 1 CYS O O 2.647 -3.867 -0.422 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 10 . 1989 . 1 1 1 CYS SG S 0.480 -0.056 1.900 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 10 . 1990 . 1 1 2 THR C C 6.228 -2.374 -0.336 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 10 . 1991 . 1 1 2 THR CA C 5.046 -2.738 -1.226 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 10 . 1992 . 1 1 2 THR CB C 5.418 -2.456 -2.694 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 10 . 1993 . 1 1 2 THR CG2 C 5.856 -1.010 -2.873 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 10 . 1994 . 1 1 2 THR H H 3.857 -1.029 -0.840 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 10 . 1995 . 1 1 2 THR HA H 4.843 -3.794 -1.124 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 10 . 1996 . 1 1 2 THR HB H 4.546 -2.632 -3.310 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 10 . 1997 . 1 1 2 THR HG1 H 6.273 -4.228 -2.821 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 10 . 1998 . 1 1 2 THR HG21 H 6.928 -0.971 -2.992 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 10 . 1999 . 1 1 2 THR HG22 H 5.568 -0.436 -2.004 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 10 . 2000 . 1 1 2 THR HG23 H 5.381 -0.596 -3.750 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 10 . 2001 . 1 1 2 THR N N 3.847 -2.009 -0.831 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 10 . 2002 . 1 1 2 THR O O 7.362 -2.780 -0.596 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 10 . 2003 . 1 1 2 THR OG1 O 6.469 -3.333 -3.110 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 10 . 2004 . 1 1 3 ALA C C 8.212 -0.640 0.903 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 10 . 2005 . 1 1 3 ALA CA C 6.999 -1.192 1.647 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 10 . 2006 . 1 1 3 ALA CB C 7.409 -2.356 2.535 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 10 . 2007 . 1 1 3 ALA H H 5.035 -1.316 0.870 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 10 . 2008 . 1 1 3 ALA HA H 6.592 -0.415 2.279 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 10 . 2009 . 1 1 3 ALA HB1 H 6.524 -2.842 2.923 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 10 . 2010 . 1 1 3 ALA HB2 H 7.984 -3.065 1.959 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 10 . 2011 . 1 1 3 ALA HB3 H 8.007 -1.990 3.357 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2012 . 1 1 3 ALA N N 5.958 -1.607 0.717 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 10 . 2013 . 1 1 3 ALA O O 9.295 -1.223 0.944 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 10 . 2014 . 1 1 4 SER C C 9.442 2.484 0.046 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 10 . 2015 . 1 1 4 SER CA C 9.098 1.115 -0.532 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 10 . 2016 . 1 1 4 SER CB C 8.703 1.254 -2.004 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 10 . 2017 . 1 1 4 SER H H 7.135 0.904 0.231 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 10 . 2018 . 1 1 4 SER HA H 9.967 0.479 -0.461 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 10 . 2019 . 1 1 4 SER HB3 H 7.942 2.015 -2.098 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2020 . 1 1 4 SER HG H 9.511 1.939 -3.652 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 10 . 2021 . 1 1 4 SER N N 8.021 0.486 0.225 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 10 . 2022 . 1 1 4 SER O O 8.884 2.898 1.062 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 10 . 2023 . 1 1 4 SER OG O 9.817 1.620 -2.798 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 10 . 2024 . 1 1 5 ILE C C 10.945 5.457 -1.341 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 10 . 2025 . 1 1 5 ILE CA C 10.781 4.505 -0.163 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 10 . 2026 . 1 1 5 ILE CB C 12.105 4.442 0.621 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 10 . 2027 . 1 1 5 ILE CD1 C 10.977 4.094 2.876 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2028 . 1 1 5 ILE CG1 C 11.952 3.551 1.855 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 10 . 2029 . 1 1 5 ILE CG2 C 12.549 5.841 1.023 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 10 . 2030 . 1 1 5 ILE H H 10.771 2.798 -1.413 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 10 . 2031 . 1 1 5 ILE HA H 10.015 4.890 0.494 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 10 . 2032 . 1 1 5 ILE HB H 12.861 4.023 -0.026 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 10 . 2033 . 1 1 5 ILE HD11 H 11.516 4.427 3.749 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 10 . 2034 . 1 1 5 ILE HD12 H 10.433 4.924 2.449 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 10 . 2035 . 1 1 5 ILE HD13 H 10.282 3.316 3.158 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 10 . 2036 . 1 1 5 ILE HG13 H 12.914 3.447 2.337 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 10 . 2037 . 1 1 5 ILE HG21 H 13.370 5.772 1.720 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 10 . 2038 . 1 1 5 ILE HG22 H 12.869 6.383 0.145 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 10 . 2039 . 1 1 5 ILE HG23 H 11.725 6.361 1.488 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 10 . 2040 . 1 1 5 ILE N N 10.364 3.182 -0.610 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 10 . 2041 . 1 1 5 ILE O O 11.934 5.416 -2.072 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 10 . 2042 . 1 1 6 PRO C C 7.859 5.187 -0.849 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 10 . 2043 . 1 1 6 PRO CA C 8.768 6.398 -0.668 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 10 . 2044 . 1 1 6 PRO CB C 8.058 7.672 -1.128 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 10 . 2045 . 1 1 6 PRO CD C 9.908 7.346 -2.606 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 10 . 2046 . 1 1 6 PRO CG C 8.498 7.866 -2.538 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 10 . 2047 . 1 1 6 PRO HA H 9.040 6.490 0.372 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 10 . 2048 . 1 1 6 PRO HB3 H 8.357 8.501 -0.504 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2049 . 1 1 6 PRO HD3 H 10.613 8.141 -2.415 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 10 . 2050 . 1 1 6 PRO HG3 H 8.475 8.917 -2.789 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 10 . 2051 . 1 1 6 PRO N N 9.951 6.339 -1.532 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 10 . 2052 . 1 1 6 PRO O O 7.763 4.608 -1.932 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 10 . 2053 . 1 1 7 PRO C C 5.001 3.921 -0.595 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 10 . 2054 . 1 1 7 PRO CA C 6.259 3.648 0.222 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 10 . 2055 . 1 1 7 PRO CB C 5.907 3.457 1.700 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 10 . 2056 . 1 1 7 PRO CD C 7.240 5.437 1.558 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 10 . 2057 . 1 1 7 PRO CG C 6.104 4.801 2.312 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 10 . 2058 . 1 1 7 PRO HA H 6.743 2.758 -0.152 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 10 . 2059 . 1 1 7 PRO HB3 H 6.566 2.723 2.138 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2060 . 1 1 7 PRO HD3 H 8.181 5.226 2.044 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 10 . 2061 . 1 1 7 PRO HG3 H 6.362 4.694 3.356 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 10 . 2062 . 1 1 7 PRO N N 7.174 4.793 0.236 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 10 . 2063 . 1 1 7 PRO O O 4.576 5.068 -0.730 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 10 . 2064 . 1 1 8 ILE C C 2.145 1.973 -1.504 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 10 . 2065 . 1 1 8 ILE CA C 3.199 2.986 -1.936 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 10 . 2066 . 1 1 8 ILE CB C 3.494 2.795 -3.435 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 10 . 2067 . 1 1 8 ILE CD1 C 2.351 0.710 -4.343 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2068 . 1 1 8 ILE CG1 C 3.615 1.306 -3.768 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 10 . 2069 . 1 1 8 ILE CG2 C 4.764 3.537 -3.825 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 10 . 2070 . 1 1 8 ILE H H 4.797 1.972 -0.991 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 10 . 2071 . 1 1 8 ILE HA H 2.806 3.984 -1.792 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 10 . 2072 . 1 1 8 ILE HB H 2.675 3.216 -3.997 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 10 . 2073 . 1 1 8 ILE HD11 H 1.591 1.475 -4.415 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 10 . 2074 . 1 1 8 ILE HD12 H 2.553 0.309 -5.323 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 10 . 2075 . 1 1 8 ILE HD13 H 2.000 -0.082 -3.695 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 10 . 2076 . 1 1 8 ILE HG13 H 3.859 0.763 -2.866 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 10 . 2077 . 1 1 8 ILE HG21 H 5.598 3.142 -3.261 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 10 . 2078 . 1 1 8 ILE HG22 H 4.950 3.402 -4.881 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 10 . 2079 . 1 1 8 ILE HG23 H 4.649 4.587 -3.609 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 10 . 2080 . 1 1 8 ILE N N 4.410 2.861 -1.134 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 10 . 2081 . 1 1 8 ILE O O 2.472 0.880 -1.044 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 10 . 2082 . 1 1 9 CYS C C -1.138 1.204 -2.476 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 10 . 2083 . 1 1 9 CYS CA C -0.226 1.469 -1.281 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 10 . 2084 . 1 1 9 CYS CB C -1.031 2.089 -0.137 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 10 . 2085 . 1 1 9 CYS H H 0.681 3.230 -2.028 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 10 . 2086 . 1 1 9 CYS HA H 0.193 0.531 -0.949 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 10 . 2087 . 1 1 9 CYS HB3 H -2.053 1.745 -0.200 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2088 . 1 1 9 CYS N N 0.878 2.345 -1.654 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 10 . 2089 . 1 1 9 CYS O O -1.583 2.134 -3.149 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 10 . 2090 . 1 1 9 CYS SG S -0.406 1.673 1.521 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 10 . 2091 . 1 1 10 HIS C C -3.475 -1.261 -3.348 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 10 . 2092 . 1 1 10 HIS CA C -2.275 -0.458 -3.843 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 10 . 2093 . 1 1 10 HIS CB C -1.485 -1.277 -4.866 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 10 . 2094 . 1 1 10 HIS CD2 C -0.952 -3.394 -3.464 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2095 . 1 1 10 HIS CE1 C 1.221 -3.429 -3.750 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2096 . 1 1 10 HIS CG C -0.629 -2.339 -4.248 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 10 . 2097 . 1 1 10 HIS H H -1.031 -0.767 -2.158 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 10 . 2098 . 1 1 10 HIS HA H -2.632 0.445 -4.316 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 10 . 2099 . 1 1 10 HIS HB3 H -0.843 -0.617 -5.428 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2100 . 1 1 10 HIS HD1 H 1.278 -1.754 -4.926 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2101 . 1 1 10 HIS HD2 H -1.944 -3.667 -3.134 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2102 . 1 1 10 HIS HE1 H 2.260 -3.718 -3.698 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2103 . 1 1 10 HIS N N -1.414 -0.070 -2.731 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 10 . 2104 . 1 1 10 HIS ND1 N 0.740 -2.388 -4.407 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 10 . 2105 . 1 1 10 HIS NE2 N 0.215 -4.055 -3.170 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 10 . 2106 . 1 1 10 HIS O O -3.991 -2.125 -4.055 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 10 . 2107 . 1 1 11 . C C -5.273 -1.215 -0.095 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 10 . 2108 . 1 1 11 . CA C -5.051 -1.662 -1.538 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 10 . 2109 . 1 1 11 . CB C -6.315 -1.404 -2.362 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 10 . 2110 . 1 1 11 . CD1 C -6.297 1.079 -2.005 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2111 . 1 1 11 . CD2 C -8.354 -0.094 -1.712 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2112 . 1 1 11 . CE1 C -6.928 2.268 -1.690 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2113 . 1 1 11 . CE2 C -8.989 1.093 -1.396 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 10 . 2114 . 1 1 11 . CG C -7.002 -0.115 -2.020 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 10 . 2115 . 1 1 11 . CZ C -8.274 2.275 -1.385 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 10 . 2116 . 1 1 11 . H H -3.460 -0.267 -1.613 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 10 . 2117 . 1 1 11 . HA H -4.836 -2.719 -1.546 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 10 . 2118 . 1 1 11 . HB2 H -7.016 -2.208 -2.193 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 10 . 2119 . 1 1 11 . HB3 H -6.054 -1.376 -3.409 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2120 . 1 1 11 . HD1 H -5.244 1.075 -2.242 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2121 . 1 1 11 . HD2 H -8.913 -1.019 -1.721 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2122 . 1 1 11 . HE1 H -6.367 3.191 -1.681 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2123 . 1 1 11 . HE2 H -10.043 1.094 -1.159 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 10 . 2124 . 1 1 11 . HZ H -8.769 3.202 -1.140 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 10 . 2125 . 1 1 11 . N N -3.913 -0.968 -2.128 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 10 . 2126 . 1 1 11 . O O -4.939 -0.089 0.276 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 10 . 2127 . 1 1 12 MMO C C -5.793 -3.012 2.998 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 10 . 2128 . 1 1 12 MMO CA C -6.101 -1.807 2.116 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 10 . 2129 . 1 1 12 MMO CB C -7.560 -1.384 2.302 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 10 . 2130 . 1 1 12 MMO CD C -8.957 0.658 2.741 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 10 . 2131 . 1 1 12 MMO CG C -7.831 0.059 1.913 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 10 . 2132 . 1 1 12 MMO CN C -6.201 -3.427 0.182 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 10 . 2133 . 1 1 12 MMO CZ C -11.402 0.848 2.582 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 10 . 2134 . 1 1 12 MMO HA H -5.460 -0.988 2.407 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 10 . 2135 . 1 1 12 MMO HC1 H -6.718 -4.000 0.952 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 10 . 2136 . 1 1 12 MMO HC2 H -5.298 -3.959 -0.119 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 10 . 2137 . 1 1 12 MMO HC3 H -6.854 -3.305 -0.681 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 10 . 2138 . 1 1 12 MMO HCB1 H -8.187 -2.021 1.695 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 10 . 2139 . 1 1 12 MMO HCB2 H -7.829 -1.511 3.339 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 10 . 2140 . 1 1 12 MMO HCD1 H -8.837 0.345 3.766 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2141 . 1 1 12 MMO HCD2 H -8.896 1.734 2.683 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2142 . 1 1 12 MMO HCG1 H -6.934 0.640 2.073 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 10 . 2143 . 1 1 12 MMO HCG2 H -8.104 0.097 0.869 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 10 . 2144 . 1 1 12 MMO HH11 H -12.580 -0.405 1.518 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 10 . 2145 . 1 1 12 MMO HH12 H -13.411 0.865 2.350 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 10 . 2146 . 1 1 12 MMO HH21 H -10.512 2.257 3.725 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 10 . 2147 . 1 1 12 MMO HH22 H -12.237 2.380 3.604 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 10 . 2148 . 1 1 12 MMO N N -5.836 -2.107 0.713 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 10 . 2149 . 1 1 12 MMO NE N -10.270 0.230 2.266 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 10 . 2150 . 1 1 12 MMO NH1 N -12.560 0.400 2.112 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 10 . 2151 . 1 1 12 MMO NH2 N -11.383 1.916 3.369 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 10 . 2152 . 1 1 12 MMO O O -6.695 -3.752 3.392 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 10 . 2153 . 1 1 13 . C C -2.199 -3.080 2.489 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 10 . 2154 . 1 1 13 . CA C -3.470 -2.307 2.818 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 10 . 2155 . 1 1 13 . CB C -3.171 -1.229 3.861 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 10 . 2156 . 1 1 13 . CD1 C -4.918 -1.572 5.706 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2157 . 1 1 13 . CD2 C -5.155 0.336 4.557 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 10 . 2158 . 1 1 13 . CE2 C -6.168 0.271 5.532 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 10 . 2159 . 1 1 13 . CE3 C -5.102 1.450 3.712 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 10 . 2160 . 1 1 13 . CG C -4.366 -0.851 4.686 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 10 . 2161 . 1 1 13 . CH2 C -7.045 2.353 4.845 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 10 . 2162 . 1 1 13 . CN2 C -4.143 -4.346 4.149 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 10 . 2163 . 1 1 13 . CZ2 C -7.120 1.275 5.683 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 10 . 2164 . 1 1 13 . CZ3 C -6.047 2.446 3.865 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 10 . 2165 . 1 1 13 . HA H -3.834 -1.833 1.918 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 10 . 2166 . 1 1 13 . HB2 H -2.405 -1.589 4.532 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 10 . 2167 . 1 1 13 . HB3 H -2.817 -0.341 3.358 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2168 . 1 1 13 . HD1 H -4.548 -2.526 6.047 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 10 . 2169 . 1 1 13 . HE1 H -6.565 -1.215 6.959 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2170 . 1 1 13 . HE3 H -4.340 1.539 2.952 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 10 . 2171 . 1 1 13 . HH2 H -7.762 3.155 4.927 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 10 . 2172 . 1 1 13 . HN1 H -4.956 -4.568 4.840 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 10 . 2173 . 1 1 13 . HN2 H -3.241 -4.104 4.713 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 10 . 2174 . 1 1 13 . HN3 H -3.953 -5.217 3.520 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 10 . 2175 . 1 1 13 . HZ2 H -7.895 1.219 6.435 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 10 . 2176 . 1 1 13 . HZ3 H -6.023 3.313 3.223 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 10 . 2177 . 1 1 13 . N N -4.515 -3.204 3.302 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 10 . 2178 . 1 1 13 . NE1 N -6.002 -0.903 6.219 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 10 . 2179 . 1 1 13 . O O -1.264 -3.126 3.289 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 10 . 2180 . 1 1 14 ARG C C 0.258 -3.617 0.934 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 10 . 2181 . 1 1 14 ARG CA C -1.012 -4.460 0.873 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 10 . 2182 . 1 1 14 ARG CB C -1.224 -4.981 -0.550 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 10 . 2183 . 1 1 14 ARG CD C -3.542 -5.950 -0.517 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 10 . 2184 . 1 1 14 ARG CG C -2.055 -6.251 -0.617 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 10 . 2185 . 1 1 14 ARG CZ C -4.509 -8.187 -0.192 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 10 . 2186 . 1 1 14 ARG H H -2.946 -3.616 0.713 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 10 . 2187 . 1 1 14 ARG HA H -0.904 -5.301 1.542 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 10 . 2188 . 1 1 14 ARG HB3 H -0.261 -5.182 -0.994 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 10 . 2189 . 1 1 14 ARG HD3 H -3.769 -5.110 -1.156 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 10 . 2190 . 1 1 14 ARG HE H -4.819 -7.033 -1.789 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 10 . 2191 . 1 1 14 ARG HG3 H -1.771 -6.899 0.200 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 10 . 2192 . 1 1 14 ARG HH11 H -3.327 -7.545 1.314 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 10 . 2193 . 1 1 14 ARG HH12 H -4.014 -9.120 1.531 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 10 . 2194 . 1 1 14 ARG HH21 H -5.731 -9.106 -1.514 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 10 . 2195 . 1 1 14 ARG HH22 H -5.381 -10.007 -0.079 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 10 . 2196 . 1 1 14 ARG N N -2.170 -3.689 1.308 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 10 . 2197 . 1 1 14 ARG NE N -4.360 -7.090 -0.926 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 10 . 2198 . 1 1 14 ARG NH1 N -3.899 -8.293 0.980 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 10 . 2199 . 1 1 14 ARG NH2 N -5.269 -9.182 -0.631 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 10 . 2200 . 1 1 14 ARG O O 1.144 -3.870 1.751 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 11 . 2201 . 1 1 1 CYS C C 3.495 -2.569 -0.290 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 11 . 2202 . 1 1 1 CYS CA C 2.554 -1.493 0.246 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 11 . 2203 . 1 1 1 CYS CB C 3.224 -0.739 1.396 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 11 . 2204 . 1 1 1 CYS H1 H 1.010 -1.946 1.620 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 11 . 2205 . 1 1 1 CYS HA H 2.332 -0.797 -0.550 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 11 . 2206 . 1 1 1 CYS HB3 H 4.242 -0.505 1.118 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2207 . 1 1 1 CYS N N 1.296 -2.078 0.691 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 11 . 2208 . 1 1 1 CYS O O 3.663 -3.623 0.323 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 11 . 2209 . 1 1 1 CYS SG S 2.399 0.822 1.844 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 11 . 2210 . 1 1 2 THR C C 6.059 -2.513 -2.918 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 11 . 2211 . 1 1 2 THR CA C 5.030 -3.236 -2.055 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 11 . 2212 . 1 1 2 THR CB C 4.284 -4.266 -2.922 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 11 . 2213 . 1 1 2 THR CG2 C 3.672 -3.603 -4.147 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 11 . 2214 . 1 1 2 THR H H 3.932 -1.436 -1.878 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 11 . 2215 . 1 1 2 THR HA H 5.545 -3.765 -1.266 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 11 . 2216 . 1 1 2 THR HB H 3.489 -4.702 -2.333 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 11 . 2217 . 1 1 2 THR HG1 H 4.807 -6.159 -3.110 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 11 . 2218 . 1 1 2 THR HG21 H 2.603 -3.759 -4.147 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 11 . 2219 . 1 1 2 THR HG22 H 4.098 -4.034 -5.041 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 11 . 2220 . 1 1 2 THR HG23 H 3.881 -2.544 -4.123 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 11 . 2221 . 1 1 2 THR N N 4.108 -2.293 -1.436 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 11 . 2222 . 1 1 2 THR O O 6.539 -3.055 -3.913 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 11 . 2223 . 1 1 2 THR OG1 O 5.181 -5.305 -3.334 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 11 . 2224 . 1 1 3 ALA C C 8.327 0.218 -2.319 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 11 . 2225 . 1 1 3 ALA CA C 7.366 -0.491 -3.267 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 11 . 2226 . 1 1 3 ALA CB C 6.656 0.521 -4.156 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 11 . 2227 . 1 1 3 ALA H H 5.974 -0.908 -1.730 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 11 . 2228 . 1 1 3 ALA HA H 7.929 -1.158 -3.904 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 11 . 2229 . 1 1 3 ALA HB1 H 6.424 0.064 -5.107 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 11 . 2230 . 1 1 3 ALA HB2 H 5.743 0.843 -3.677 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 11 . 2231 . 1 1 3 ALA HB3 H 7.299 1.374 -4.314 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2232 . 1 1 3 ALA N N 6.392 -1.287 -2.531 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 11 . 2233 . 1 1 3 ALA O O 8.032 0.390 -1.136 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 11 . 2234 . 1 1 4 SER C C 9.897 2.553 -1.380 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 11 . 2235 . 1 1 4 SER CA C 10.484 1.311 -2.044 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 11 . 2236 . 1 1 4 SER CB C 11.680 1.701 -2.913 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 11 . 2237 . 1 1 4 SER H H 9.654 0.459 -3.795 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 11 . 2238 . 1 1 4 SER HA H 10.816 0.629 -1.275 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 11 . 2239 . 1 1 4 SER HB3 H 11.390 2.500 -3.581 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2240 . 1 1 4 SER HG H 13.545 1.618 -2.322 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 11 . 2241 . 1 1 4 SER N N 9.477 0.625 -2.846 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 11 . 2242 . 1 1 4 SER O O 8.711 2.850 -1.532 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 11 . 2243 . 1 1 4 SER OG O 12.767 2.142 -2.119 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 11 . 2244 . 1 1 5 ILE C C 10.387 5.698 -0.874 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 11 . 2245 . 1 1 5 ILE CA C 10.299 4.484 0.044 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 11 . 2246 . 1 1 5 ILE CB C 11.140 4.748 1.307 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 11 . 2247 . 1 1 5 ILE CD1 C 10.107 2.728 2.460 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2248 . 1 1 5 ILE CG1 C 11.380 3.442 2.067 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 11 . 2249 . 1 1 5 ILE CG2 C 10.449 5.767 2.200 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 11 . 2250 . 1 1 5 ILE H H 11.667 2.986 -0.559 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 11 . 2251 . 1 1 5 ILE HA H 9.271 4.347 0.342 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 11 . 2252 . 1 1 5 ILE HB H 12.090 5.158 1.002 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 11 . 2253 . 1 1 5 ILE HD11 H 9.515 3.368 3.098 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 11 . 2254 . 1 1 5 ILE HD12 H 9.541 2.482 1.573 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 11 . 2255 . 1 1 5 ILE HD13 H 10.351 1.820 2.993 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 11 . 2256 . 1 1 5 ILE HG13 H 11.932 3.656 2.971 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 11 . 2257 . 1 1 5 ILE HG21 H 10.149 6.619 1.608 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 11 . 2258 . 1 1 5 ILE HG22 H 9.575 5.318 2.649 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 11 . 2259 . 1 1 5 ILE HG23 H 11.129 6.088 2.975 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 11 . 2260 . 1 1 5 ILE N N 10.735 3.274 -0.643 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 11 . 2261 . 1 1 5 ILE O O 11.399 5.938 -1.534 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 11 . 2262 . 1 1 6 PRO C C 7.342 4.987 -0.645 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 11 . 2263 . 1 1 6 PRO CA C 8.093 6.213 -0.138 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 11 . 2264 . 1 1 6 PRO CB C 7.251 7.476 -0.336 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 11 . 2265 . 1 1 6 PRO CD C 9.176 7.708 -1.733 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 11 . 2266 . 1 1 6 PRO CG C 7.713 8.040 -1.634 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 11 . 2267 . 1 1 6 PRO HA H 8.318 6.088 0.912 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 11 . 2268 . 1 1 6 PRO HB3 H 7.428 8.162 0.479 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2269 . 1 1 6 PRO HD3 H 9.774 8.508 -1.323 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 11 . 2270 . 1 1 6 PRO HG3 H 7.572 9.111 -1.638 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 11 . 2271 . 1 1 6 PRO N N 9.304 6.487 -0.917 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 11 . 2272 . 1 1 6 PRO O O 7.198 4.770 -1.849 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 11 . 2273 . 1 1 7 PRO C C 4.733 3.248 -0.629 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 11 . 2274 . 1 1 7 PRO CA C 6.105 2.946 -0.035 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 11 . 2275 . 1 1 7 PRO CB C 5.959 2.243 1.317 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 11 . 2276 . 1 1 7 PRO CD C 6.984 4.359 1.746 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 11 . 2277 . 1 1 7 PRO CG C 6.043 3.337 2.323 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 11 . 2278 . 1 1 7 PRO HA H 6.657 2.312 -0.715 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 11 . 2279 . 1 1 7 PRO HB3 H 6.758 1.529 1.442 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2280 . 1 1 7 PRO HD3 H 7.996 4.164 2.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 11 . 2281 . 1 1 7 PRO HG3 H 6.433 2.952 3.252 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 11 . 2282 . 1 1 7 PRO N N 6.851 4.164 0.293 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 11 . 2283 . 1 1 7 PRO O O 3.993 4.086 -0.113 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 11 . 2284 . 1 1 8 ILE C C 2.175 1.585 -2.108 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 11 . 2285 . 1 1 8 ILE CA C 3.116 2.754 -2.379 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 11 . 2286 . 1 1 8 ILE CB C 3.287 2.919 -3.901 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 11 . 2287 . 1 1 8 ILE CD1 C 5.634 3.783 -4.372 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2288 . 1 1 8 ILE CG1 C 4.171 4.130 -4.208 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 11 . 2289 . 1 1 8 ILE CG2 C 1.929 3.063 -4.574 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 11 . 2290 . 1 1 8 ILE H H 5.031 1.905 -2.081 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 11 . 2291 . 1 1 8 ILE HA H 2.671 3.659 -1.986 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 11 . 2292 . 1 1 8 ILE HB H 3.760 2.030 -4.286 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 11 . 2293 . 1 1 8 ILE HD11 H 5.765 3.186 -5.264 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 11 . 2294 . 1 1 8 ILE HD12 H 6.212 4.690 -4.458 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 11 . 2295 . 1 1 8 ILE HD13 H 5.970 3.221 -3.512 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 11 . 2296 . 1 1 8 ILE HG13 H 4.087 4.842 -3.400 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 11 . 2297 . 1 1 8 ILE HG21 H 1.650 2.123 -5.025 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 11 . 2298 . 1 1 8 ILE HG22 H 1.191 3.342 -3.838 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 11 . 2299 . 1 1 8 ILE HG23 H 1.985 3.826 -5.336 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 11 . 2300 . 1 1 8 ILE N N 4.400 2.560 -1.717 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 11 . 2301 . 1 1 8 ILE O O 2.488 0.437 -2.421 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 11 . 2302 . 1 1 9 CYS C C -1.025 0.771 -2.314 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 11 . 2303 . 1 1 9 CYS CA C 0.029 0.861 -1.214 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 11 . 2304 . 1 1 9 CYS CB C -0.641 1.162 0.127 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 11 . 2305 . 1 1 9 CYS H H 0.825 2.821 -1.301 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 11 . 2306 . 1 1 9 CYS HA H 0.543 -0.086 -1.146 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 11 . 2307 . 1 1 9 CYS HB3 H -1.499 0.517 0.245 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2308 . 1 1 9 CYS N N 1.018 1.887 -1.527 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 11 . 2309 . 1 1 9 CYS O O -1.593 1.782 -2.729 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 11 . 2310 . 1 1 9 CYS SG S 0.442 0.917 1.571 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 11 . 2311 . 1 1 10 HIS C C -3.532 -1.313 -3.261 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 11 . 2312 . 1 1 10 HIS CA C -2.271 -0.671 -3.830 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 11 . 2313 . 1 1 10 HIS CB C -1.684 -1.557 -4.930 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 11 . 2314 . 1 1 10 HIS CD2 C -1.979 -4.005 -4.125 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2315 . 1 1 10 HIS CE1 C 0.133 -4.498 -3.814 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2316 . 1 1 10 HIS CG C -1.255 -2.907 -4.446 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 11 . 2317 . 1 1 10 HIS H H -0.799 -1.213 -2.408 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 11 . 2318 . 1 1 10 HIS HA H -2.529 0.289 -4.252 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 11 . 2319 . 1 1 10 HIS HB3 H -0.822 -1.067 -5.357 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2320 . 1 1 10 HIS HD1 H 0.837 -2.663 -4.384 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2321 . 1 1 10 HIS HD2 H -3.056 -4.098 -4.168 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2322 . 1 1 10 HIS HE1 H 1.038 -5.034 -3.571 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2323 . 1 1 10 HIS N N -1.283 -0.447 -2.780 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 11 . 2324 . 1 1 10 HIS ND1 N 0.065 -3.248 -4.240 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 11 . 2325 . 1 1 10 HIS NE2 N -1.094 -4.979 -3.736 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 11 . 2326 . 1 1 10 HIS O O -4.188 -2.113 -3.929 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 11 . 2327 . 1 1 11 . C C -5.131 -1.024 0.081 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 11 . 2328 . 1 1 11 . CA C -5.050 -1.498 -1.368 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 11 . 2329 . 1 1 11 . CB C -6.314 -1.083 -2.124 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 11 . 2330 . 1 1 11 . CD1 C -5.863 1.385 -2.203 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2331 . 1 1 11 . CD2 C -7.953 0.641 -1.325 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2332 . 1 1 11 . CE1 C -6.234 2.697 -1.979 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2333 . 1 1 11 . CE2 C -8.329 1.952 -1.098 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 11 . 2334 . 1 1 11 . CG C -6.719 0.343 -1.879 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 11 . 2335 . 1 1 11 . CZ C -7.468 2.981 -1.424 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 11 . 2336 . 1 1 11 . H H -3.304 -0.313 -1.545 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 11 . 2337 . 1 1 11 . HA H -4.971 -2.574 -1.378 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 11 . 2338 . 1 1 11 . HB2 H -7.132 -1.716 -1.817 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 11 . 2339 . 1 1 11 . HB3 H -6.148 -1.205 -3.183 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2340 . 1 1 11 . HD1 H -4.899 1.164 -2.634 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2341 . 1 1 11 . HD2 H -8.629 -0.164 -1.069 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2342 . 1 1 11 . HE1 H -5.559 3.501 -2.234 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2343 . 1 1 11 . HE2 H -9.294 2.170 -0.666 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 11 . 2344 . 1 1 11 . HZ H -7.759 4.007 -1.249 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 11 . 2345 . 1 1 11 . N N -3.866 -0.957 -2.026 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 11 . 2346 . 1 1 11 . O O -4.677 0.071 0.413 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 11 . 2347 . 1 1 12 MMO C C -5.445 -2.702 3.229 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 11 . 2348 . 1 1 12 MMO CA C -5.854 -1.524 2.349 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 11 . 2349 . 1 1 12 MMO CB C -7.296 -1.120 2.659 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 11 . 2350 . 1 1 12 MMO CD C -8.946 0.760 2.898 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 11 . 2351 . 1 1 12 MMO CG C -7.611 0.327 2.315 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 11 . 2352 . 1 1 12 MMO CN C -6.227 -3.144 0.449 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 11 . 2353 . 1 1 12 MMO CZ C -10.074 0.829 5.082 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 11 . 2354 . 1 1 12 MMO HA H -5.202 -0.690 2.560 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 11 . 2355 . 1 1 12 MMO HC1 H -6.752 -3.657 1.255 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 11 . 2356 . 1 1 12 MMO HC2 H -5.396 -3.760 0.107 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 11 . 2357 . 1 1 12 MMO HC3 H -6.913 -2.971 -0.379 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 11 . 2358 . 1 1 12 MMO HCB1 H -7.965 -1.755 2.095 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 11 . 2359 . 1 1 12 MMO HCB2 H -7.479 -1.265 3.714 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 11 . 2360 . 1 1 12 MMO HCD1 H -9.092 1.810 2.690 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2361 . 1 1 12 MMO HCD2 H -9.733 0.187 2.430 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2362 . 1 1 12 MMO HCG1 H -6.834 0.959 2.716 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 11 . 2363 . 1 1 12 MMO HCG2 H -7.646 0.431 1.241 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 11 . 2364 . 1 1 12 MMO HH11 H -9.230 0.240 6.822 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 11 . 2365 . 1 1 12 MMO HH12 H -10.856 0.819 6.946 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 11 . 2366 . 1 1 12 MMO HH21 H -11.188 1.485 3.529 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 11 . 2367 . 1 1 12 MMO HH22 H -11.971 1.526 5.074 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 11 . 2368 . 1 1 12 MMO N N -5.713 -1.856 0.937 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 11 . 2369 . 1 1 12 MMO NE N -9.006 0.551 4.343 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 11 . 2370 . 1 1 12 MMO NH1 N -10.052 0.611 6.391 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 11 . 2371 . 1 1 12 MMO NH2 N -11.167 1.321 4.515 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 11 . 2372 . 1 1 12 MMO O O -6.292 -3.450 3.716 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 11 . 2373 . 1 1 13 . C C -1.925 -2.720 2.370 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 11 . 2374 . 1 1 13 . CA C -3.162 -1.958 2.831 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 11 . 2375 . 1 1 13 . CB C -2.764 -0.875 3.836 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 11 . 2376 . 1 1 13 . CD1 C -4.414 -1.094 5.785 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2377 . 1 1 13 . CD2 C -4.652 0.780 4.583 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 11 . 2378 . 1 1 13 . CE2 C -5.612 0.782 5.614 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 11 . 2379 . 1 1 13 . CE3 C -4.612 1.862 3.699 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 11 . 2380 . 1 1 13 . CG C -3.896 -0.429 4.710 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 11 . 2381 . 1 1 13 . CH2 C -6.458 2.869 4.902 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 11 . 2382 . 1 1 13 . CN2 C -3.673 -3.976 4.262 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 11 . 2383 . 1 1 13 . CZ2 C -6.521 1.824 5.783 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 11 . 2384 . 1 1 13 . CZ3 C -5.515 2.893 3.867 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 11 . 2385 . 1 1 13 . HA H -3.623 -1.489 1.974 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 11 . 2386 . 1 1 13 . HB2 H -1.980 -1.255 4.475 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 11 . 2387 . 1 1 13 . HB3 H -2.397 -0.013 3.297 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2388 . 1 1 13 . HD1 H -4.055 -2.048 6.139 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 11 . 2389 . 1 1 13 . HE1 H -5.975 -0.640 7.113 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2390 . 1 1 13 . HE3 H -3.892 1.899 2.895 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 11 . 2391 . 1 1 13 . HH2 H -7.144 3.697 4.996 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 11 . 2392 . 1 1 13 . HN1 H -2.754 -3.687 4.771 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 11 . 2393 . 1 1 13 . HN2 H -3.483 -4.848 3.634 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 11 . 2394 . 1 1 13 . HN3 H -4.437 -4.222 4.999 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 11 . 2395 . 1 1 13 . HZ2 H -7.254 1.820 6.575 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 11 . 2396 . 1 1 13 . HZ3 H -5.500 3.738 3.193 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 11 . 2397 . 1 1 13 . N N -4.140 -2.862 3.425 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 11 . 2398 . 1 1 13 . NE1 N -5.446 -0.371 6.332 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 11 . 2399 . 1 1 13 . O O -1.121 -3.169 3.187 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 11 . 2400 . 1 1 14 ARG C C 0.363 -2.594 -0.115 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 11 . 2401 . 1 1 14 ARG CA C -0.640 -3.573 0.487 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 11 . 2402 . 1 1 14 ARG CB C -1.111 -4.562 -0.581 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 11 . 2403 . 1 1 14 ARG CD C -3.134 -5.746 0.326 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 11 . 2404 . 1 1 14 ARG CG C -1.657 -5.861 -0.012 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 11 . 2405 . 1 1 14 ARG CZ C -3.828 -8.075 0.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 11 . 2406 . 1 1 14 ARG H H -2.455 -2.483 0.456 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 11 . 2407 . 1 1 14 ARG HA H -0.159 -4.120 1.284 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 11 . 2408 . 1 1 14 ARG HB3 H -0.279 -4.797 -1.228 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 11 . 2409 . 1 1 14 ARG HD3 H -3.700 -5.737 -0.592 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 11 . 2410 . 1 1 14 ARG HE H -3.734 -6.680 2.111 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 11 . 2411 . 1 1 14 ARG HG3 H -1.108 -6.108 0.885 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 11 . 2412 . 1 1 14 ARG HH11 H -3.331 -7.624 -1.217 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 11 . 2413 . 1 1 14 ARG HH12 H -3.823 -9.263 -0.946 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 11 . 2414 . 1 1 14 ARG HH21 H -4.383 -8.835 2.479 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 11 . 2415 . 1 1 14 ARG HH22 H -4.420 -9.950 1.156 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 11 . 2416 . 1 1 14 ARG N N -1.780 -2.863 1.056 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 11 . 2417 . 1 1 14 ARG NE N -3.594 -6.854 1.157 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 11 . 2418 . 1 1 14 ARG NH1 N -3.646 -8.342 -0.596 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 11 . 2419 . 1 1 14 ARG NH2 N -4.245 -9.032 1.509 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 11 . 2420 . 1 1 14 ARG O O 0.377 -2.371 -1.326 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 12 . 2421 . 1 1 1 CYS C C 3.410 -2.412 0.091 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 12 . 2422 . 1 1 1 CYS CA C 1.977 -1.978 0.388 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 12 . 2423 . 1 1 1 CYS CB C 1.947 -1.100 1.641 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 12 . 2424 . 1 1 1 CYS H1 H 1.506 -4.001 0.798 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 12 . 2425 . 1 1 1 CYS HA H 1.605 -1.407 -0.450 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 12 . 2426 . 1 1 1 CYS HB3 H 2.710 -0.340 1.558 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2427 . 1 1 1 CYS N N 1.107 -3.135 0.561 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 12 . 2428 . 1 1 1 CYS O O 3.775 -3.570 0.297 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 12 . 2429 . 1 1 1 CYS SG S 0.355 -0.259 1.923 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 12 . 2430 . 1 1 2 THR C C 6.458 -1.867 0.543 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 12 . 2431 . 1 1 2 THR CA C 5.610 -1.757 -0.718 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 12 . 2432 . 1 1 2 THR CB C 6.205 -0.672 -1.632 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 12 . 2433 . 1 1 2 THR CG2 C 6.493 0.599 -0.847 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 12 . 2434 . 1 1 2 THR H H 3.867 -0.570 -0.534 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 12 . 2435 . 1 1 2 THR HA H 5.642 -2.701 -1.245 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 12 . 2436 . 1 1 2 THR HB H 5.489 -0.443 -2.409 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 12 . 2437 . 1 1 2 THR HG1 H 7.231 -1.956 -2.723 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 12 . 2438 . 1 1 2 THR HG21 H 7.505 0.569 -0.471 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 12 . 2439 . 1 1 2 THR HG22 H 5.803 0.675 -0.020 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 12 . 2440 . 1 1 2 THR HG23 H 6.375 1.456 -1.494 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 12 . 2441 . 1 1 2 THR N N 4.218 -1.473 -0.392 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 12 . 2442 . 1 1 2 THR O O 5.935 -1.864 1.657 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 12 . 2443 . 1 1 2 THR OG1 O 7.414 -1.148 -2.237 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 12 . 2444 . 1 1 3 ALA C C 9.811 -1.037 1.376 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 12 . 2445 . 1 1 3 ALA CA C 8.692 -2.066 1.486 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 12 . 2446 . 1 1 3 ALA CB C 9.270 -3.471 1.563 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 12 . 2447 . 1 1 3 ALA H H 8.128 -1.957 -0.551 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 12 . 2448 . 1 1 3 ALA HA H 8.135 -1.883 2.393 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 12 . 2449 . 1 1 3 ALA HB1 H 10.213 -3.443 2.092 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 12 . 2450 . 1 1 3 ALA HB2 H 8.583 -4.116 2.088 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 12 . 2451 . 1 1 3 ALA HB3 H 9.430 -3.850 0.564 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2452 . 1 1 3 ALA N N 7.771 -1.960 0.361 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 12 . 2453 . 1 1 3 ALA O O 10.636 -0.904 2.282 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 12 . 2454 . 1 1 4 SER C C 10.234 2.094 -0.049 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 12 . 2455 . 1 1 4 SER CA C 10.858 0.704 0.035 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 12 . 2456 . 1 1 4 SER CB C 11.629 0.402 -1.250 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 12 . 2457 . 1 1 4 SER H H 9.151 -0.463 -0.421 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 12 . 2458 . 1 1 4 SER HA H 11.543 0.680 0.870 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 12 . 2459 . 1 1 4 SER HB3 H 11.819 -0.661 -1.312 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2460 . 1 1 4 SER HG H 10.423 0.044 -2.752 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 12 . 2461 . 1 1 4 SER N N 9.837 -0.310 0.264 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 12 . 2462 . 1 1 4 SER O O 9.015 2.234 -0.149 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 12 . 2463 . 1 1 4 SER OG O 10.893 0.801 -2.394 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 12 . 2464 . 1 1 5 ILE C C 10.736 5.048 -1.494 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 12 . 2465 . 1 1 5 ILE CA C 10.611 4.497 -0.078 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 12 . 2466 . 1 1 5 ILE CB C 11.395 5.408 0.886 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 12 . 2467 . 1 1 5 ILE CD1 C 10.083 4.532 2.882 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2468 . 1 1 5 ILE CG1 C 10.541 5.748 2.109 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 12 . 2469 . 1 1 5 ILE CG2 C 11.837 6.679 0.172 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 12 . 2470 . 1 1 5 ILE H H 12.040 2.943 0.074 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 12 . 2471 . 1 1 5 ILE HA H 9.570 4.512 0.213 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 12 . 2472 . 1 1 5 ILE HB H 12.278 4.879 1.207 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 12 . 2473 . 1 1 5 ILE HD11 H 9.188 4.133 2.428 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 12 . 2474 . 1 1 5 ILE HD12 H 10.860 3.782 2.869 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 12 . 2475 . 1 1 5 ILE HD13 H 9.871 4.814 3.904 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 12 . 2476 . 1 1 5 ILE HG13 H 9.662 6.288 1.787 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 12 . 2477 . 1 1 5 ILE HG21 H 12.324 7.335 0.877 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 12 . 2478 . 1 1 5 ILE HG22 H 12.526 6.424 -0.618 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 12 . 2479 . 1 1 5 ILE HG23 H 10.974 7.174 -0.247 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 12 . 2480 . 1 1 5 ILE N N 11.079 3.119 -0.006 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 12 . 2481 . 1 1 5 ILE O O 11.668 4.726 -2.232 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 12 . 2482 . 1 1 6 PRO C C 7.685 5.144 -0.778 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 12 . 2483 . 1 1 6 PRO CA C 8.663 6.290 -1.016 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 12 . 2484 . 1 1 6 PRO CB C 7.983 7.418 -1.796 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 12 . 2485 . 1 1 6 PRO CD C 9.705 6.547 -3.207 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 12 . 2486 . 1 1 6 PRO CG C 8.331 7.158 -3.220 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 12 . 2487 . 1 1 6 PRO HA H 9.014 6.666 -0.067 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 12 . 2488 . 1 1 6 PRO HB3 H 8.367 8.371 -1.463 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2489 . 1 1 6 PRO HD3 H 10.460 7.313 -3.300 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 12 . 2490 . 1 1 6 PRO HG3 H 8.341 8.087 -3.771 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 12 . 2491 . 1 1 6 PRO N N 9.776 5.900 -1.885 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 12 . 2492 . 1 1 6 PRO O O 7.745 4.100 -1.426 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 12 . 2493 . 1 1 7 PRO C C 4.716 4.151 -0.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 12 . 2494 . 1 1 7 PRO CA C 5.752 4.337 0.520 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 12 . 2495 . 1 1 7 PRO CB C 5.096 4.911 1.778 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 12 . 2496 . 1 1 7 PRO CD C 6.631 6.563 0.987 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 12 . 2497 . 1 1 7 PRO CG C 5.307 6.382 1.679 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 12 . 2498 . 1 1 7 PRO HA H 6.205 3.384 0.751 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 12 . 2499 . 1 1 7 PRO HB3 H 5.572 4.502 2.655 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2500 . 1 1 7 PRO HD3 H 7.428 6.631 1.712 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 12 . 2501 . 1 1 7 PRO HG3 H 5.339 6.815 2.667 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 12 . 2502 . 1 1 7 PRO N N 6.761 5.342 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 12 . 2503 . 1 1 7 PRO O O 4.327 5.112 -1.250 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 12 . 2504 . 1 1 8 ILE C C 2.217 1.655 -1.259 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 12 . 2505 . 1 1 8 ILE CA C 3.282 2.604 -1.796 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 12 . 2506 . 1 1 8 ILE CB C 3.935 1.973 -3.040 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 12 . 2507 . 1 1 8 ILE CD1 C 5.650 2.716 -4.768 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2508 . 1 1 8 ILE CG1 C 4.384 3.063 -4.016 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 12 . 2509 . 1 1 8 ILE CG2 C 2.967 1.015 -3.718 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 12 . 2510 . 1 1 8 ILE H H 4.623 2.190 -0.212 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 12 . 2511 . 1 1 8 ILE HA H 2.811 3.530 -2.092 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 12 . 2512 . 1 1 8 ILE HB H 4.798 1.408 -2.720 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 12 . 2513 . 1 1 8 ILE HD11 H 6.216 1.988 -4.205 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 12 . 2514 . 1 1 8 ILE HD12 H 5.395 2.307 -5.734 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 12 . 2515 . 1 1 8 ILE HD13 H 6.246 3.608 -4.901 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 12 . 2516 . 1 1 8 ILE HG13 H 4.564 3.975 -3.465 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 12 . 2517 . 1 1 8 ILE HG21 H 3.309 0.806 -4.720 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 12 . 2518 . 1 1 8 ILE HG22 H 2.920 0.095 -3.155 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 12 . 2519 . 1 1 8 ILE HG23 H 1.985 1.464 -3.758 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 12 . 2520 . 1 1 8 ILE N N 4.274 2.914 -0.773 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 12 . 2521 . 1 1 8 ILE O O 2.524 0.691 -0.558 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 12 . 2522 . 1 1 9 CYS C C -1.198 0.960 -2.248 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 12 . 2523 . 1 1 9 CYS CA C -0.153 1.108 -1.146 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 12 . 2524 . 1 1 9 CYS CB C -0.796 1.712 0.104 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 12 . 2525 . 1 1 9 CYS H H 0.779 2.718 -2.155 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 12 . 2526 . 1 1 9 CYS HA H 0.237 0.131 -0.903 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 12 . 2527 . 1 1 9 CYS HB3 H -1.640 1.105 0.395 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2528 . 1 1 9 CYS N N 0.961 1.936 -1.593 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 12 . 2529 . 1 1 9 CYS O O -1.904 1.912 -2.580 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 12 . 2530 . 1 1 9 CYS SG S 0.326 1.827 1.535 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 12 . 2531 . 1 1 10 HIS C C -3.488 -1.211 -3.326 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 12 . 2532 . 1 1 10 HIS CA C -2.248 -0.513 -3.878 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 12 . 2533 . 1 1 10 HIS CB C -1.604 -1.375 -4.964 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 12 . 2534 . 1 1 10 HIS CD2 C 0.089 -3.176 -4.175 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2535 . 1 1 10 HIS CE1 C -1.328 -4.811 -3.816 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2536 . 1 1 10 HIS CG C -1.149 -2.715 -4.473 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 12 . 2537 . 1 1 10 HIS H H -0.698 -0.958 -2.506 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 12 . 2538 . 1 1 10 HIS HA H -2.544 0.432 -4.309 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 12 . 2539 . 1 1 10 HIS HB3 H -0.744 -0.857 -5.363 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2540 . 1 1 10 HIS HD1 H -2.985 -3.744 -4.363 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2541 . 1 1 10 HIS HD2 H 1.013 -2.620 -4.242 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2542 . 1 1 10 HIS HE1 H -1.740 -5.774 -3.554 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2543 . 1 1 10 HIS N N -1.288 -0.240 -2.813 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 12 . 2544 . 1 1 10 HIS ND1 N -2.014 -3.764 -4.239 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 12 . 2545 . 1 1 10 HIS NE2 N -0.050 -4.480 -3.768 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 12 . 2546 . 1 1 10 HIS O O -4.150 -1.971 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 12 . 2547 . 1 1 11 . C C -5.075 -1.085 0.035 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 12 . 2548 . 1 1 11 . CA C -4.955 -1.550 -1.414 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 12 . 2549 . 1 1 11 . CB C -6.232 -1.199 -2.181 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 12 . 2550 . 1 1 11 . CD1 C -6.258 0.491 -4.036 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2551 . 1 1 11 . CD2 C -6.298 1.277 -1.785 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2552 . 1 1 11 . CE1 C -6.287 1.794 -4.494 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2553 . 1 1 11 . CE2 C -6.328 2.583 -2.237 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 12 . 2554 . 1 1 11 . CG C -6.263 0.218 -2.676 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 12 . 2555 . 1 1 11 . CZ C -6.320 2.842 -3.594 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 12 . 2556 . 1 1 11 . H H -3.228 -0.333 -1.548 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 12 . 2557 . 1 1 11 . HA H -4.821 -2.620 -1.425 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 12 . 2558 . 1 1 11 . HB2 H -7.083 -1.342 -1.533 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 12 . 2559 . 1 1 11 . HB3 H -6.321 -1.854 -3.035 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2560 . 1 1 11 . HD1 H -6.231 -0.327 -4.741 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2561 . 1 1 11 . HD2 H -6.303 1.076 -0.723 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2562 . 1 1 11 . HE1 H -6.282 1.994 -5.555 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2563 . 1 1 11 . HE2 H -6.354 3.399 -1.531 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 12 . 2564 . 1 1 11 . HZ H -6.344 3.861 -3.950 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 12 . 2565 . 1 1 11 . N N -3.796 -0.948 -2.060 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 12 . 2566 . 1 1 11 . O O -4.599 -0.007 0.391 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 12 . 2567 . 1 1 12 MMO C C -5.648 -2.802 3.150 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 12 . 2568 . 1 1 12 MMO CA C -5.893 -1.578 2.272 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 12 . 2569 . 1 1 12 MMO CB C -7.303 -1.037 2.516 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 12 . 2570 . 1 1 12 MMO CD C -8.802 0.970 2.302 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 12 . 2571 . 1 1 12 MMO CG C -7.379 0.482 2.526 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 12 . 2572 . 1 1 12 MMO CN C -6.247 -3.172 0.347 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 12 . 2573 . 1 1 12 MMO CZ C -11.069 0.151 2.786 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 12 . 2574 . 1 1 12 MMO HA H -5.175 -0.814 2.531 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 12 . 2575 . 1 1 12 MMO HC1 H -5.425 -3.804 0.009 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 12 . 2576 . 1 1 12 MMO HC2 H -6.916 -2.969 -0.489 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 12 . 2577 . 1 1 12 MMO HC3 H -6.797 -3.683 1.136 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 12 . 2578 . 1 1 12 MMO HCB1 H -7.956 -1.402 1.735 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 12 . 2579 . 1 1 12 MMO HCB2 H -7.656 -1.400 3.468 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 12 . 2580 . 1 1 12 MMO HCD1 H -8.864 2.006 2.597 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2581 . 1 1 12 MMO HCD2 H -9.037 0.881 1.252 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2582 . 1 1 12 MMO HCG1 H -7.034 0.843 3.483 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 12 . 2583 . 1 1 12 MMO HCG2 H -6.747 0.871 1.741 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 12 . 2584 . 1 1 12 MMO HH11 H -11.533 -1.085 4.317 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 12 . 2585 . 1 1 12 MMO HH12 H -12.865 -0.608 3.319 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 12 . 2586 . 1 1 12 MMO HH21 H -10.930 1.373 1.184 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 12 . 2587 . 1 1 12 MMO HH22 H -12.523 0.789 1.536 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 12 . 2588 . 1 1 12 MMO N N -5.712 -1.905 0.863 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 12 . 2589 . 1 1 12 MMO NE N -9.773 0.199 3.074 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 12 . 2590 . 1 1 12 MMO NH1 N -11.889 -0.574 3.536 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 12 . 2591 . 1 1 12 MMO NH2 N -11.546 0.827 1.750 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 12 . 2592 . 1 1 12 MMO O O -6.591 -3.444 3.612 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 12 . 2593 . 1 1 13 . C C -2.162 -3.241 2.319 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 12 . 2594 . 1 1 13 . CA C -3.285 -2.334 2.810 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 12 . 2595 . 1 1 13 . CB C -2.746 -1.351 3.851 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 12 . 2596 . 1 1 13 . CD1 C -4.529 -1.207 5.685 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2597 . 1 1 13 . CD2 C -4.315 0.655 4.460 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 12 . 2598 . 1 1 13 . CE2 C -5.320 0.865 5.424 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 12 . 2599 . 1 1 13 . CE3 C -4.005 1.692 3.575 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 12 . 2600 . 1 1 13 . CG C -3.822 -0.675 4.644 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 12 . 2601 . 1 1 13 . CH2 C -5.691 3.065 4.648 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 12 . 2602 . 1 1 13 . CN2 C -4.066 -4.284 4.211 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 12 . 2603 . 1 1 13 . CZ2 C -6.015 2.067 5.527 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 12 . 2604 . 1 1 13 . CZ3 C -4.696 2.885 3.678 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 12 . 2605 . 1 1 13 . HA H -3.675 -1.776 1.971 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 12 . 2606 . 1 1 13 . HB2 H -2.105 -1.881 4.540 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 12 . 2607 . 1 1 13 . HB3 H -2.170 -0.586 3.349 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2608 . 1 1 13 . HD1 H -4.389 -2.206 6.067 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 12 . 2609 . 1 1 13 . HE1 H -6.053 -0.430 6.903 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2610 . 1 1 13 . HE3 H -3.241 1.572 2.821 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 12 . 2611 . 1 1 13 . HH2 H -6.205 4.013 4.691 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 12 . 2612 . 1 1 13 . HN1 H -3.605 -3.953 5.140 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 12 . 2613 . 1 1 13 . HN2 H -3.379 -4.941 3.679 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 12 . 2614 . 1 1 13 . HN3 H -4.985 -4.827 4.434 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 12 . 2615 . 1 1 13 . HZ2 H -6.785 2.223 6.269 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 12 . 2616 . 1 1 13 . HZ3 H -4.469 3.696 3.001 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 12 . 2617 . 1 1 13 . N N -4.378 -3.117 3.374 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 12 . 2618 . 1 1 13 . NE1 N -5.432 -0.285 6.159 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 12 . 2619 . 1 1 13 . O O -1.377 -3.759 3.114 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 12 . 2620 . 1 1 14 ARG C C 0.049 -3.427 -0.204 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 12 . 2621 . 1 1 14 ARG CA C -1.063 -4.273 0.409 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 12 . 2622 . 1 1 14 ARG CB C -1.676 -5.180 -0.660 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 12 . 2623 . 1 1 14 ARG CD C -2.951 -7.279 -1.195 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 12 . 2624 . 1 1 14 ARG CG C -2.328 -6.432 -0.096 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 12 . 2625 . 1 1 14 ARG CZ C -1.675 -9.378 -1.096 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 12 . 2626 . 1 1 14 ARG H H -2.744 -2.988 0.423 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 12 . 2627 . 1 1 14 ARG HA H -0.644 -4.887 1.191 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 12 . 2628 . 1 1 14 ARG HB3 H -0.900 -5.483 -1.346 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 12 . 2629 . 1 1 14 ARG HD3 H -3.272 -6.628 -1.994 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 12 . 2630 . 1 1 14 ARG HE H -1.608 -8.074 -2.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 12 . 2631 . 1 1 14 ARG HG3 H -3.098 -6.141 0.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 12 . 2632 . 1 1 14 ARG HH11 H -2.854 -9.024 0.506 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 12 . 2633 . 1 1 14 ARG HH12 H -1.950 -10.501 0.563 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 12 . 2634 . 1 1 14 ARG HH21 H -0.413 -10.016 -2.540 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 12 . 2635 . 1 1 14 ARG HH22 H -0.561 -11.063 -1.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 12 . 2636 . 1 1 14 ARG N N -2.090 -3.428 1.005 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 12 . 2637 . 1 1 14 ARG NE N -2.010 -8.260 -1.729 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 12 . 2638 . 1 1 14 ARG NH1 N -2.203 -9.656 0.088 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 12 . 2639 . 1 1 14 ARG NH2 N -0.812 -10.221 -1.647 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 12 . 2640 . 1 1 14 ARG O O -0.102 -2.883 -1.298 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 13 . 2641 . 1 1 1 CYS C C 3.451 -2.786 -0.939 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 13 . 2642 . 1 1 1 CYS CA C 2.562 -1.777 -0.216 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 13 . 2643 . 1 1 1 CYS CB C 3.401 -0.952 0.763 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 13 . 2644 . 1 1 1 CYS H1 H 1.561 -2.607 1.455 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 13 . 2645 . 1 1 1 CYS HA H 2.123 -1.116 -0.946 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 13 . 2646 . 1 1 1 CYS HB3 H 4.267 -0.565 0.246 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2647 . 1 1 1 CYS N N 1.479 -2.450 0.489 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 13 . 2648 . 1 1 1 CYS O O 3.505 -3.960 -0.568 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 13 . 2649 . 1 1 1 CYS SG S 2.513 0.460 1.495 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 13 . 2650 . 1 1 2 THR C C 6.137 -2.376 -3.414 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 13 . 2651 . 1 1 2 THR CA C 5.029 -3.183 -2.747 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 13 . 2652 . 1 1 2 THR CB C 4.252 -3.958 -3.830 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 13 . 2653 . 1 1 2 THR CG2 C 3.733 -3.014 -4.903 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 13 . 2654 . 1 1 2 THR H H 4.058 -1.377 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 13 . 2655 . 1 1 2 THR HA H 5.475 -3.898 -2.072 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 13 . 2656 . 1 1 2 THR HB H 3.411 -4.449 -3.364 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 13 . 2657 . 1 1 2 THR HG1 H 5.771 -4.515 -4.958 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 13 . 2658 . 1 1 2 THR HG21 H 2.657 -3.093 -4.961 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 13 . 2659 . 1 1 2 THR HG22 H 4.165 -3.279 -5.856 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 13 . 2660 . 1 1 2 THR HG23 H 4.006 -2.000 -4.653 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 13 . 2661 . 1 1 2 THR N N 4.145 -2.322 -1.972 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 13 . 2662 . 1 1 2 THR O O 6.642 -2.752 -4.472 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 13 . 2663 . 1 1 2 THR OG1 O 5.099 -4.946 -4.426 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 13 . 2664 . 1 1 3 ALA C C 8.319 0.296 -2.197 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 13 . 2665 . 1 1 3 ALA CA C 7.562 -0.405 -3.320 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 13 . 2666 . 1 1 3 ALA CB C 6.973 0.617 -4.281 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 13 . 2667 . 1 1 3 ALA H H 6.072 -1.018 -1.948 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 13 . 2668 . 1 1 3 ALA HA H 8.253 -1.026 -3.872 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 13 . 2669 . 1 1 3 ALA HB1 H 7.082 0.260 -5.294 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 13 . 2670 . 1 1 3 ALA HB2 H 5.926 0.757 -4.059 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 13 . 2671 . 1 1 3 ALA HB3 H 7.494 1.555 -4.171 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2672 . 1 1 3 ALA N N 6.511 -1.265 -2.788 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 13 . 2673 . 1 1 3 ALA O O 7.723 0.726 -1.207 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 13 . 2674 . 1 1 4 SER C C 10.024 2.495 -1.116 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 13 . 2675 . 1 1 4 SER CA C 10.471 1.056 -1.352 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 13 . 2676 . 1 1 4 SER CB C 11.938 1.029 -1.787 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 13 . 2677 . 1 1 4 SER H H 10.049 0.048 -3.164 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 13 . 2678 . 1 1 4 SER HA H 10.369 0.504 -0.429 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 13 . 2679 . 1 1 4 SER HB3 H 12.474 1.819 -1.282 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2680 . 1 1 4 SER HG H 13.414 -0.255 -1.866 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 13 . 2681 . 1 1 4 SER N N 9.633 0.410 -2.355 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 13 . 2682 . 1 1 4 SER O O 9.290 3.069 -1.923 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 13 . 2683 . 1 1 4 SER OG O 12.543 -0.213 -1.467 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 13 . 2684 . 1 1 5 ILE C C 10.379 5.388 -0.837 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 13 . 2685 . 1 1 5 ILE CA C 10.122 4.446 0.334 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 13 . 2686 . 1 1 5 ILE CB C 10.913 4.942 1.559 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 13 . 2687 . 1 1 5 ILE CD1 C 9.422 6.354 3.062 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2688 . 1 1 5 ILE CG1 C 10.453 6.347 1.955 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 13 . 2689 . 1 1 5 ILE CG2 C 12.406 4.931 1.265 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 13 . 2690 . 1 1 5 ILE H H 11.055 2.565 0.595 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 13 . 2691 . 1 1 5 ILE HA H 9.069 4.470 0.577 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 13 . 2692 . 1 1 5 ILE HB H 10.727 4.265 2.378 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 13 . 2693 . 1 1 5 ILE HD11 H 9.349 5.367 3.494 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 13 . 2694 . 1 1 5 ILE HD12 H 9.716 7.060 3.824 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 13 . 2695 . 1 1 5 ILE HD13 H 8.462 6.643 2.658 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 13 . 2696 . 1 1 5 ILE HG13 H 10.020 6.832 1.093 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 13 . 2697 . 1 1 5 ILE HG21 H 12.954 4.901 2.195 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 13 . 2698 . 1 1 5 ILE HG22 H 12.650 4.060 0.675 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 13 . 2699 . 1 1 5 ILE HG23 H 12.673 5.822 0.718 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 13 . 2700 . 1 1 5 ILE N N 10.473 3.074 -0.007 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 13 . 2701 . 1 1 5 ILE O O 11.461 5.406 -1.425 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 13 . 2702 . 1 1 6 PRO C C 7.282 4.898 -0.764 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 13 . 2703 . 1 1 6 PRO CA C 8.070 6.175 -0.496 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 13 . 2704 . 1 1 6 PRO CB C 7.340 7.387 -1.082 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 13 . 2705 . 1 1 6 PRO CD C 9.395 7.171 -2.284 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 13 . 2706 . 1 1 6 PRO CG C 7.957 7.587 -2.424 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 13 . 2707 . 1 1 6 PRO HA H 8.188 6.307 0.570 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 13 . 2708 . 1 1 6 PRO HB3 H 7.490 8.246 -0.447 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2709 . 1 1 6 PRO HD3 H 10.010 8.020 -2.021 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 13 . 2710 . 1 1 6 PRO HG3 H 7.893 8.628 -2.705 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 13 . 2711 . 1 1 6 PRO N N 9.362 6.189 -1.187 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 13 . 2712 . 1 1 6 PRO O O 7.237 4.393 -1.887 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 13 . 2713 . 1 1 7 PRO C C 4.564 3.342 -0.604 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 13 . 2714 . 1 1 7 PRO CA C 5.849 3.135 0.191 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 13 . 2715 . 1 1 7 PRO CB C 5.528 2.803 1.650 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 13 . 2716 . 1 1 7 PRO CD C 6.659 4.909 1.654 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 13 . 2717 . 1 1 7 PRO CG C 5.597 4.111 2.359 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 13 . 2718 . 1 1 7 PRO HA H 6.416 2.327 -0.248 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 13 . 2719 . 1 1 7 PRO HB3 H 6.258 2.107 2.034 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2720 . 1 1 7 PRO HD3 H 7.620 4.756 2.124 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 13 . 2721 . 1 1 7 PRO HG3 H 5.871 3.954 3.393 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 13 . 2722 . 1 1 7 PRO N N 6.647 4.361 0.288 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 13 . 2723 . 1 1 7 PRO O O 3.711 4.145 -0.224 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 13 . 2724 . 1 1 8 ILE C C 2.256 1.599 -2.248 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 13 . 2725 . 1 1 8 ILE CA C 3.250 2.716 -2.553 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 13 . 2726 . 1 1 8 ILE CB C 3.620 2.664 -4.047 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 13 . 2727 . 1 1 8 ILE CD1 C 4.859 4.865 -3.730 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2728 . 1 1 8 ILE CG1 C 4.898 3.467 -4.306 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 13 . 2729 . 1 1 8 ILE CG2 C 2.474 3.193 -4.896 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 13 . 2730 . 1 1 8 ILE H H 5.146 1.990 -1.957 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 13 . 2731 . 1 1 8 ILE HA H 2.779 3.668 -2.353 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 13 . 2732 . 1 1 8 ILE HB H 3.790 1.633 -4.318 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 13 . 2733 . 1 1 8 ILE HD11 H 5.694 5.434 -4.111 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 13 . 2734 . 1 1 8 ILE HD12 H 3.935 5.346 -4.011 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 13 . 2735 . 1 1 8 ILE HD13 H 4.924 4.813 -2.653 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 13 . 2736 . 1 1 8 ILE HG13 H 5.050 3.551 -5.373 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 13 . 2737 . 1 1 8 ILE HG21 H 2.863 3.580 -5.825 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 13 . 2738 . 1 1 8 ILE HG22 H 1.781 2.392 -5.103 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 13 . 2739 . 1 1 8 ILE HG23 H 1.965 3.981 -4.362 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 13 . 2740 . 1 1 8 ILE N N 4.431 2.612 -1.707 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 13 . 2741 . 1 1 8 ILE O O 2.519 0.429 -2.521 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 13 . 2742 . 1 1 9 CYS C C -1.007 0.966 -2.411 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 13 . 2743 . 1 1 9 CYS CA C 0.079 1.003 -1.341 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 13 . 2744 . 1 1 9 CYS CB C -0.541 1.342 0.017 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 13 . 2745 . 1 1 9 CYS H H 0.961 2.921 -1.487 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 13 . 2746 . 1 1 9 CYS HA H 0.541 0.029 -1.282 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 13 . 2747 . 1 1 9 CYS HB3 H -1.489 0.835 0.110 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2748 . 1 1 9 CYS N N 1.113 1.971 -1.682 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 13 . 2749 . 1 1 9 CYS O O -1.498 2.008 -2.850 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 13 . 2750 . 1 1 9 CYS SG S 0.486 0.863 1.444 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 13 . 2751 . 1 1 10 HIS C C -3.627 -1.125 -3.275 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 13 . 2752 . 1 1 10 HIS CA C -2.407 -0.413 -3.851 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 13 . 2753 . 1 1 10 HIS CB C -1.851 -1.203 -5.036 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 13 . 2754 . 1 1 10 HIS CD2 C -0.129 -2.902 -4.100 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2755 . 1 1 10 HIS CE1 C -1.285 -4.738 -4.420 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2756 . 1 1 10 HIS CG C -1.310 -2.548 -4.657 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 13 . 2757 . 1 1 10 HIS H H -0.950 -1.032 -2.443 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 13 . 2758 . 1 1 10 HIS HA H -2.704 0.567 -4.191 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 13 . 2759 . 1 1 10 HIS HB3 H -1.052 -0.639 -5.493 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2760 . 1 1 10 HIS HD1 H -2.908 -3.796 -5.233 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2761 . 1 1 10 HIS HD2 H 0.673 -2.235 -3.816 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2762 . 1 1 10 HIS HE1 H -1.577 -5.777 -4.441 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2763 . 1 1 10 HIS N N -1.378 -0.239 -2.830 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 13 . 2764 . 1 1 10 HIS ND1 N -2.011 -3.721 -4.847 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 13 . 2765 . 1 1 10 HIS NE2 N -0.137 -4.268 -3.963 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 13 . 2766 . 1 1 10 HIS O O -4.278 -1.913 -3.960 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 13 . 2767 . 1 1 11 . C C -5.122 -1.058 0.126 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 13 . 2768 . 1 1 11 . CA C -5.074 -1.455 -1.347 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 13 . 2769 . 1 1 11 . CB C -6.376 -1.046 -2.040 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 13 . 2770 . 1 1 11 . CD1 C -6.020 1.436 -1.925 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2771 . 1 1 11 . CD2 C -8.078 0.548 -1.110 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2772 . 1 1 11 . CE1 C -6.439 2.711 -1.601 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2773 . 1 1 11 . CE2 C -8.502 1.822 -0.785 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 13 . 2774 . 1 1 11 . CG C -6.834 0.340 -1.686 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 13 . 2775 . 1 1 11 . CZ C -7.681 2.905 -1.028 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 13 . 2776 . 1 1 11 . H H -3.373 -0.205 -1.519 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 13 . 2777 . 1 1 11 . HA H -4.961 -2.526 -1.414 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 13 . 2778 . 1 1 11 . HB2 H -7.157 -1.735 -1.757 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 13 . 2779 . 1 1 11 . HB3 H -6.234 -1.086 -3.108 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2780 . 1 1 11 . HD1 H -5.047 1.287 -2.372 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2781 . 1 1 11 . HD2 H -8.721 -0.300 -0.920 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2782 . 1 1 11 . HE1 H -5.794 3.557 -1.792 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2783 . 1 1 11 . HE2 H -9.474 1.969 -0.338 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 13 . 2784 . 1 1 11 . HZ H -8.011 3.902 -0.775 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 13 . 2785 . 1 1 11 . N N -3.931 -0.841 -2.013 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 13 . 2786 . 1 1 11 . O O -4.693 0.034 0.500 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 13 . 2787 . 1 1 12 MMO C C -5.189 -2.864 3.193 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 13 . 2788 . 1 1 12 MMO CA C -5.751 -1.695 2.389 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 13 . 2789 . 1 1 12 MMO CB C -7.210 -1.448 2.780 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 13 . 2790 . 1 1 12 MMO CD C -8.805 0.406 3.362 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 13 . 2791 . 1 1 12 MMO CG C -7.713 -0.063 2.411 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 13 . 2792 . 1 1 12 MMO CN C -6.136 -3.229 0.420 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 13 . 2793 . 1 1 12 MMO CZ C -11.216 0.072 3.700 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 13 . 2794 . 1 1 12 MMO HA H -5.174 -0.809 2.610 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 13 . 2795 . 1 1 12 MMO HC1 H -6.858 -3.038 -0.375 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 13 . 2796 . 1 1 12 MMO HC2 H -6.618 -3.798 1.217 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 13 . 2797 . 1 1 12 MMO HC3 H -5.298 -3.801 0.022 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 13 . 2798 . 1 1 12 MMO HCB1 H -7.832 -2.178 2.281 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 13 . 2799 . 1 1 12 MMO HCB2 H -7.309 -1.573 3.849 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 13 . 2800 . 1 1 12 MMO HCD1 H -8.490 0.202 4.376 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2801 . 1 1 12 MMO HCD2 H -8.942 1.468 3.236 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2802 . 1 1 12 MMO HCG1 H -6.888 0.633 2.457 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 13 . 2803 . 1 1 12 MMO HCG2 H -8.111 -0.090 1.408 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 13 . 2804 . 1 1 12 MMO HH11 H -12.311 -1.353 2.774 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 13 . 2805 . 1 1 12 MMO HH12 H -13.189 -0.333 3.862 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 13 . 2806 . 1 1 12 MMO HH21 H -10.409 1.583 4.770 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 13 . 2807 . 1 1 12 MMO HH22 H -12.109 1.339 4.998 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 13 . 2808 . 1 1 12 MMO N N -5.647 -1.952 0.956 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 13 . 2809 . 1 1 12 MMO NE N -10.073 -0.272 3.115 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 13 . 2810 . 1 1 12 MMO NH1 N -12.330 -0.593 3.421 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 13 . 2811 . 1 1 12 MMO NH2 N -11.247 1.080 4.561 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 13 . 2812 . 1 1 12 MMO O O -5.933 -3.729 3.652 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 13 . 2813 . 1 1 13 . C C -1.696 -2.423 2.305 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 13 . 2814 . 1 1 13 . CA C -3.017 -1.840 2.797 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 13 . 2815 . 1 1 13 . CB C -2.752 -0.754 3.841 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 13 . 2816 . 1 1 13 . CD1 C -4.257 -1.332 5.833 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2817 . 1 1 13 . CD2 C -4.843 0.537 4.748 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 13 . 2818 . 1 1 13 . CE2 C -5.743 0.334 5.813 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 13 . 2819 . 1 1 13 . CE3 C -5.013 1.654 3.926 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 13 . 2820 . 1 1 13 . CG C -3.901 -0.539 4.780 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 13 . 2821 . 1 1 13 . CH2 C -6.939 2.293 5.252 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 13 . 2822 . 1 1 13 . CN2 C -3.257 -3.978 4.119 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 13 . 2823 . 1 1 13 . CZ2 C -6.797 1.207 6.072 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 13 . 2824 . 1 1 13 . CZ3 C -6.060 2.519 4.185 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 13 . 2825 . 1 1 13 . HA H -3.537 -1.400 1.958 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 13 . 2826 . 1 1 13 . HB2 H -1.889 -1.030 4.428 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 13 . 2827 . 1 1 13 . HB3 H -2.555 0.181 3.335 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2828 . 1 1 13 . HD1 H -3.737 -2.234 6.119 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 13 . 2829 . 1 1 13 . HE1 H -5.811 -1.200 7.240 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2830 . 1 1 13 . HE3 H -4.345 1.847 3.099 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 13 . 2831 . 1 1 13 . HH2 H -7.743 2.995 5.417 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 13 . 2832 . 1 1 13 . HN1 H -2.488 -3.577 4.777 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 13 . 2833 . 1 1 13 . HN2 H -2.811 -4.696 3.431 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 13 . 2834 . 1 1 13 . HN3 H -4.022 -4.477 4.715 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 13 . 2835 . 1 1 13 . HZ2 H -7.483 1.046 6.891 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 13 . 2836 . 1 1 13 . HZ3 H -6.208 3.389 3.560 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 13 . 2837 . 1 1 13 . N N -3.871 -2.882 3.356 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 13 . 2838 . 1 1 13 . NE1 N -5.364 -0.813 6.458 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 13 . 2839 . 1 1 13 . O O -0.646 -2.191 2.901 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 13 . 2840 . 1 1 14 ARG C C 0.299 -2.758 -0.058 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 13 . 2841 . 1 1 14 ARG CA C -0.567 -3.799 0.645 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 13 . 2842 . 1 1 14 ARG CB C -0.961 -4.900 -0.341 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 13 . 2843 . 1 1 14 ARG CD C -1.966 -7.187 -0.620 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 13 . 2844 . 1 1 14 ARG CG C -1.243 -6.238 0.324 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 13 . 2845 . 1 1 14 ARG CZ C -4.175 -7.375 -1.683 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 13 . 2846 . 1 1 14 ARG H H -2.627 -3.329 0.784 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 13 . 2847 . 1 1 14 ARG HA H -0.001 -4.235 1.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 13 . 2848 . 1 1 14 ARG HB3 H -0.157 -5.037 -1.048 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 13 . 2849 . 1 1 14 ARG HD3 H -1.878 -8.192 -0.235 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 13 . 2850 . 1 1 14 ARG HE H -3.757 -6.206 -0.122 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 13 . 2851 . 1 1 14 ARG HG3 H -1.858 -6.075 1.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 13 . 2852 . 1 1 14 ARG HH11 H -2.732 -8.522 -2.510 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 13 . 2853 . 1 1 14 ARG HH12 H -4.294 -8.646 -3.251 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 13 . 2854 . 1 1 14 ARG HH21 H -5.817 -6.360 -1.087 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 13 . 2855 . 1 1 14 ARG HH22 H -6.048 -7.415 -2.440 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 13 . 2856 . 1 1 14 ARG N N -1.758 -3.181 1.215 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 13 . 2857 . 1 1 14 ARG NE N -3.381 -6.853 -0.755 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 13 . 2858 . 1 1 14 ARG NH1 N -3.694 -8.252 -2.553 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 13 . 2859 . 1 1 14 ARG NH2 N -5.452 -7.020 -1.742 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 13 . 2860 . 1 1 14 ARG O O -0.091 -2.201 -1.085 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 14 . 2861 . 1 1 1 CYS C C 3.124 -2.839 -0.637 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 14 . 2862 . 1 1 1 CYS CA C 2.012 -2.204 0.193 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 14 . 2863 . 1 1 1 CYS CB C 2.610 -1.510 1.419 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 14 . 2864 . 1 1 1 CYS H1 H 1.232 -3.776 1.378 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 14 . 2865 . 1 1 1 CYS HA H 1.502 -1.471 -0.412 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 14 . 2866 . 1 1 1 CYS HB3 H 3.538 -1.035 1.138 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2867 . 1 1 1 CYS N N 1.035 -3.204 0.604 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 14 . 2868 . 1 1 1 CYS O O 3.279 -4.060 -0.658 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 14 . 2869 . 1 1 1 CYS SG S 1.535 -0.236 2.151 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 14 . 2870 . 1 1 2 THR C C 5.948 -1.346 -2.509 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 14 . 2871 . 1 1 2 THR CA C 4.991 -2.479 -2.157 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 14 . 2872 . 1 1 2 THR CB C 4.470 -3.118 -3.457 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 14 . 2873 . 1 1 2 THR CG2 C 3.857 -2.067 -4.370 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 14 . 2874 . 1 1 2 THR H H 3.722 -1.038 -1.266 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 14 . 2875 . 1 1 2 THR HA H 5.529 -3.232 -1.600 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 14 . 2876 . 1 1 2 THR HB H 3.708 -3.841 -3.204 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 14 . 2877 . 1 1 2 THR HG1 H 6.061 -4.283 -3.505 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 14 . 2878 . 1 1 2 THR HG21 H 3.075 -2.517 -4.964 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 14 . 2879 . 1 1 2 THR HG22 H 4.620 -1.668 -5.023 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 14 . 2880 . 1 1 2 THR HG23 H 3.442 -1.271 -3.772 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 14 . 2881 . 1 1 2 THR N N 3.895 -2.001 -1.323 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 14 . 2882 . 1 1 2 THR O O 5.708 -0.189 -2.167 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 14 . 2883 . 1 1 2 THR OG1 O 5.539 -3.786 -4.138 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 14 . 2884 . 1 1 3 ALA C C 8.698 -0.069 -2.381 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 14 . 2885 . 1 1 3 ALA CA C 8.026 -0.697 -3.597 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 14 . 2886 . 1 1 3 ALA CB C 7.381 0.378 -4.459 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 14 . 2887 . 1 1 3 ALA H H 7.171 -2.626 -3.440 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 14 . 2888 . 1 1 3 ALA HA H 8.776 -1.198 -4.191 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 14 . 2889 . 1 1 3 ALA HB1 H 7.406 1.322 -3.935 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 14 . 2890 . 1 1 3 ALA HB2 H 7.923 0.467 -5.389 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 14 . 2891 . 1 1 3 ALA HB3 H 6.356 0.107 -4.664 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2892 . 1 1 3 ALA N N 7.034 -1.686 -3.196 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 14 . 2893 . 1 1 3 ALA O O 8.142 -0.071 -1.283 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 14 . 2894 . 1 1 4 SER C C 10.244 2.556 -1.337 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 14 . 2895 . 1 1 4 SER CA C 10.647 1.093 -1.502 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 14 . 2896 . 1 1 4 SER CB C 12.151 0.996 -1.771 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 14 . 2897 . 1 1 4 SER H H 10.289 0.436 -3.482 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 14 . 2898 . 1 1 4 SER HA H 10.419 0.564 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 14 . 2899 . 1 1 4 SER HB3 H 12.416 -0.038 -1.939 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2900 . 1 1 4 SER HG H 13.399 1.504 -3.194 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 14 . 2901 . 1 1 4 SER N N 9.898 0.466 -2.584 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 14 . 2902 . 1 1 4 SER O O 9.424 3.073 -2.097 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 14 . 2903 . 1 1 4 SER OG O 12.514 1.752 -2.913 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 14 . 2904 . 1 1 5 ILE C C 10.645 5.453 -1.346 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 14 . 2905 . 1 1 5 ILE CA C 10.526 4.617 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 14 . 2906 . 1 1 5 ILE CB C 11.463 5.199 0.998 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 14 . 2907 . 1 1 5 ILE CD1 C 10.146 6.824 2.448 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 14 . 2908 . 1 1 5 ILE CG1 C 11.100 6.658 1.287 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 14 . 2909 . 1 1 5 ILE CG2 C 12.913 5.086 0.554 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 14 . 2910 . 1 1 5 ILE H H 11.468 2.748 0.230 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 14 . 2911 . 1 1 5 ILE HA H 9.510 4.679 0.288 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 14 . 2912 . 1 1 5 ILE HB H 11.341 4.620 1.902 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 14 . 2913 . 1 1 5 ILE HD11 H 9.884 5.855 2.842 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 14 . 2914 . 1 1 5 ILE HD12 H 10.618 7.413 3.220 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 14 . 2915 . 1 1 5 ILE HD13 H 9.251 7.327 2.108 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 14 . 2916 . 1 1 5 ILE HG13 H 10.636 7.085 0.409 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 14 . 2917 . 1 1 5 ILE HG21 H 12.987 4.372 -0.253 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 14 . 2918 . 1 1 5 ILE HG22 H 13.261 6.049 0.213 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 14 . 2919 . 1 1 5 ILE HG23 H 13.520 4.756 1.383 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 14 . 2920 . 1 1 5 ILE N N 10.824 3.214 -0.340 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 14 . 2921 . 1 1 5 ILE O O 11.629 5.371 -2.083 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 14 . 2922 . 1 1 6 PRO C C 7.576 5.135 -0.786 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 14 . 2923 . 1 1 6 PRO CA C 8.447 6.386 -0.739 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 14 . 2924 . 1 1 6 PRO CB C 7.689 7.586 -1.311 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 14 . 2925 . 1 1 6 PRO CD C 9.534 7.174 -2.775 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 14 . 2926 . 1 1 6 PRO CG C 8.108 7.653 -2.739 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 14 . 2927 . 1 1 6 PRO HA H 8.727 6.589 0.284 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 14 . 2928 . 1 1 6 PRO HB3 H 7.968 8.481 -0.776 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2929 . 1 1 6 PRO HD3 H 10.215 8.007 -2.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 14 . 2930 . 1 1 6 PRO HG3 H 8.048 8.672 -3.092 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 14 . 2931 . 1 1 6 PRO N N 9.623 6.280 -1.608 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 14 . 2932 . 1 1 6 PRO O O 7.433 4.488 -1.824 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 14 . 2933 . 1 1 7 PRO C C 4.793 3.788 -0.266 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 14 . 2934 . 1 1 7 PRO CA C 6.111 3.608 0.478 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 14 . 2935 . 1 1 7 PRO CB C 5.865 3.496 1.984 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 14 . 2936 . 1 1 7 PRO CD C 7.107 5.509 1.639 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 14 . 2937 . 1 1 7 PRO CG C 6.049 4.880 2.503 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 14 . 2938 . 1 1 7 PRO HA H 6.605 2.715 0.125 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 14 . 2939 . 1 1 7 PRO HB3 H 6.580 2.814 2.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2940 . 1 1 7 PRO HD3 H 8.085 5.359 2.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 14 . 2941 . 1 1 7 PRO HG3 H 6.378 4.845 3.532 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 14 . 2942 . 1 1 7 PRO N N 6.981 4.784 0.363 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 14 . 2943 . 1 1 7 PRO O O 4.015 4.691 0.039 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 14 . 2944 . 1 1 8 ILE C C 2.400 1.812 -1.703 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 14 . 2945 . 1 1 8 ILE CA C 3.322 2.982 -2.029 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 14 . 2946 . 1 1 8 ILE CB C 3.621 2.978 -3.540 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 14 . 2947 . 1 1 8 ILE CD1 C 1.880 1.564 -4.743 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 14 . 2948 . 1 1 8 ILE CG1 C 2.317 2.955 -4.340 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 14 . 2949 . 1 1 8 ILE CG2 C 4.494 1.788 -3.904 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 14 . 2950 . 1 1 8 ILE H H 5.207 2.222 -1.438 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 14 . 2951 . 1 1 8 ILE HA H 2.815 3.905 -1.784 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 14 . 2952 . 1 1 8 ILE HB H 4.165 3.880 -3.777 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 14 . 2953 . 1 1 8 ILE HD11 H 2.083 0.875 -3.936 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 14 . 2954 . 1 1 8 ILE HD12 H 0.822 1.567 -4.958 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 14 . 2955 . 1 1 8 ILE HD13 H 2.425 1.257 -5.624 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 14 . 2956 . 1 1 8 ILE HG13 H 2.446 3.538 -5.241 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 14 . 2957 . 1 1 8 ILE HG21 H 5.489 1.936 -3.512 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 14 . 2958 . 1 1 8 ILE HG22 H 4.071 0.888 -3.480 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 14 . 2959 . 1 1 8 ILE HG23 H 4.540 1.690 -4.979 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 14 . 2960 . 1 1 8 ILE N N 4.548 2.920 -1.243 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 14 . 2961 . 1 1 8 ILE O O 2.857 0.692 -1.473 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 14 . 2962 . 1 1 9 CYS C C -0.892 0.911 -2.529 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 14 . 2963 . 1 1 9 CYS CA C 0.110 1.048 -1.386 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 14 . 2964 . 1 1 9 CYS CB C -0.625 1.377 -0.086 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 14 . 2965 . 1 1 9 CYS H H 0.794 2.992 -1.874 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 14 . 2966 . 1 1 9 CYS HA H 0.633 0.112 -1.268 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 14 . 2967 . 1 1 9 CYS HB3 H -1.472 0.715 0.018 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2968 . 1 1 9 CYS N N 1.098 2.079 -1.683 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 14 . 2969 . 1 1 9 CYS O O -1.239 1.893 -3.187 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 14 . 2970 . 1 1 9 CYS SG S 0.400 1.206 1.411 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 14 . 2971 . 1 1 10 HIS C C -3.556 -1.282 -3.269 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 14 . 2972 . 1 1 10 HIS CA C -2.317 -0.581 -3.821 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 14 . 2973 . 1 1 10 HIS CB C -1.678 -1.435 -4.916 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 14 . 2974 . 1 1 10 HIS CD2 C 0.175 -3.105 -4.206 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 14 . 2975 . 1 1 10 HIS CE1 C -1.108 -4.793 -3.649 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 14 . 2976 . 1 1 10 HIS CG C -1.107 -2.725 -4.411 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 14 . 2977 . 1 1 10 HIS H H -1.040 -1.056 -2.201 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 14 . 2978 . 1 1 10 HIS HA H -2.615 0.367 -4.244 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 14 . 2979 . 1 1 10 HIS HB3 H -0.879 -0.876 -5.378 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 2980 . 1 1 10 HIS HD1 H -2.865 -3.842 -4.089 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 14 . 2981 . 1 1 10 HIS HD2 H 1.058 -2.506 -4.381 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 14 . 2982 . 1 1 10 HIS HE1 H -1.441 -5.762 -3.309 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 14 . 2983 . 1 1 10 HIS N N -1.354 -0.313 -2.759 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 14 . 2984 . 1 1 10 HIS ND1 N -1.887 -3.805 -4.054 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 14 . 2985 . 1 1 10 HIS NE2 N 0.148 -4.394 -3.732 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 14 . 2986 . 1 1 10 HIS O O -4.162 -2.114 -3.943 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 14 . 2987 . 1 1 11 . C C -5.209 -1.069 0.052 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 14 . 2988 . 1 1 11 . CA C -5.089 -1.536 -1.396 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 14 . 2989 . 1 1 11 . CB C -6.361 -1.179 -2.166 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 14 . 2990 . 1 1 11 . CD1 C -6.087 1.311 -2.017 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 14 . 2991 . 1 1 11 . CD2 C -8.183 0.363 -1.393 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 14 . 2992 . 1 1 11 . CE1 C -6.567 2.574 -1.729 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 14 . 2993 . 1 1 11 . CE2 C -8.669 1.624 -1.103 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 14 . 2994 . 1 1 11 . CG C -6.887 0.192 -1.852 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 14 . 2995 . 1 1 11 . CZ C -7.861 2.730 -1.271 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 14 . 2996 . 1 1 11 . H H -3.399 -0.269 -1.552 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 14 . 2997 . 1 1 11 . HA H -4.961 -2.607 -1.406 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 14 . 2998 . 1 1 11 . HB2 H -7.133 -1.893 -1.922 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 14 . 2999 . 1 1 11 . HB3 H -6.156 -1.223 -3.225 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 3000 . 1 1 11 . HD1 H -5.073 1.190 -2.376 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 14 . 3001 . 1 1 11 . HD2 H -8.817 -0.501 -1.261 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 14 . 3002 . 1 1 11 . HE1 H -5.933 3.437 -1.862 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 14 . 3003 . 1 1 11 . HE2 H -9.681 1.743 -0.745 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 14 . 3004 . 1 1 11 . HZ H -8.238 3.716 -1.045 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 14 . 3005 . 1 1 11 . N N -3.924 -0.940 -2.039 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 14 . 3006 . 1 1 11 . O O -4.786 0.035 0.397 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 14 . 3007 . 1 1 12 MMO C C -5.633 -2.796 3.185 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 14 . 3008 . 1 1 12 MMO CA C -5.965 -1.594 2.305 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 14 . 3009 . 1 1 12 MMO CB C -7.399 -1.135 2.570 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 14 . 3010 . 1 1 12 MMO CD C -8.743 0.924 3.096 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 14 . 3011 . 1 1 12 MMO CG C -7.644 0.326 2.230 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 14 . 3012 . 1 1 12 MMO CN C -6.263 -3.215 0.392 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 14 . 3013 . 1 1 12 MMO CZ C -11.114 0.523 3.609 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 14 . 3014 . 1 1 12 MMO HA H -5.288 -0.788 2.548 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 14 . 3015 . 1 1 12 MMO HC1 H -6.780 -3.747 1.191 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 14 . 3016 . 1 1 12 MMO HC2 H -5.412 -3.806 0.054 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 14 . 3017 . 1 1 12 MMO HC3 H -6.947 -3.054 -0.440 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 14 . 3018 . 1 1 12 MMO HCB1 H -8.073 -1.737 1.976 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 14 . 3019 . 1 1 12 MMO HCB2 H -7.625 -1.281 3.616 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 14 . 3020 . 1 1 12 MMO HCD1 H -8.438 0.869 4.130 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 14 . 3021 . 1 1 12 MMO HCD2 H -8.882 1.956 2.815 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 14 . 3022 . 1 1 12 MMO HCG1 H -6.732 0.881 2.393 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 14 . 3023 . 1 1 12 MMO HCG2 H -7.934 0.402 1.192 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 14 . 3024 . 1 1 12 MMO HH11 H -12.237 -0.923 2.755 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 14 . 3025 . 1 1 12 MMO HH12 H -13.059 0.064 3.915 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 14 . 3026 . 1 1 12 MMO HH21 H -10.269 2.047 4.630 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 14 . 3027 . 1 1 12 MMO HH22 H -11.940 1.754 4.982 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 14 . 3028 . 1 1 12 MMO N N -5.789 -1.918 0.895 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 14 . 3029 . 1 1 12 MMO NE N -10.010 0.215 2.938 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 14 . 3030 . 1 1 12 MMO NH1 N -12.228 -0.169 3.409 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 14 . 3031 . 1 1 12 MMO NH2 N -11.106 1.523 4.479 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 14 . 3032 . 1 1 12 MMO O O -6.529 -3.497 3.657 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 14 . 3033 . 1 1 13 . C C -2.110 -3.004 2.375 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 14 . 3034 . 1 1 13 . CA C -3.308 -2.177 2.824 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 14 . 3035 . 1 1 13 . CB C -2.864 -1.122 3.838 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 14 . 3036 . 1 1 13 . CD1 C -4.489 -1.309 5.811 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 14 . 3037 . 1 1 13 . CD2 C -4.701 0.575 4.619 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 14 . 3038 . 1 1 13 . CE2 C -5.644 0.597 5.665 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 14 . 3039 . 1 1 13 . CE3 C -4.648 1.659 3.739 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 14 . 3040 . 1 1 13 . CG C -3.972 -0.651 4.731 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 14 . 3041 . 1 1 13 . CH2 C -6.451 2.706 4.974 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 14 . 3042 . 1 1 13 . CN2 C -3.950 -4.169 4.237 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 14 . 3043 . 1 1 13 . CZ2 C -6.525 1.659 5.851 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 14 . 3044 . 1 1 13 . CZ3 C -5.523 2.712 3.924 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 14 . 3045 . 1 1 13 . HA H -3.730 -1.678 1.962 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 14 . 3046 . 1 1 13 . HB2 H -2.086 -1.536 4.463 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 14 . 3047 . 1 1 13 . HB3 H -2.475 -0.263 3.308 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 3048 . 1 1 13 . HD1 H -4.147 -2.272 6.158 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 14 . 3049 . 1 1 13 . HE1 H -6.019 -0.822 7.165 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 14 . 3050 . 1 1 13 . HE3 H -3.940 1.682 2.923 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 14 . 3051 . 1 1 13 . HH2 H -7.115 3.550 5.080 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 14 . 3052 . 1 1 13 . HN1 H -4.011 -5.086 3.653 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 14 . 3053 . 1 1 13 . HN2 H -4.617 -4.238 5.095 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 14 . 3054 . 1 1 13 . HN3 H -2.925 -4.028 4.584 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 14 . 3055 . 1 1 13 . HZ2 H -7.246 1.669 6.656 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 14 . 3056 . 1 1 13 . HZ3 H -5.497 3.558 3.252 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 14 . 3057 . 1 1 13 . N N -4.343 -3.027 3.398 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 14 . 3058 . 1 1 13 . NE1 N -5.495 -0.563 6.377 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 14 . 3059 . 1 1 13 . O O -1.129 -3.140 3.106 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 14 . 3060 . 1 1 14 ARG C C -0.076 -3.501 -0.072 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 14 . 3061 . 1 1 14 ARG CA C -1.118 -4.371 0.623 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 14 . 3062 . 1 1 14 ARG CB C -1.675 -5.402 -0.361 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 14 . 3063 . 1 1 14 ARG CD C -1.038 -7.592 0.696 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 14 . 3064 . 1 1 14 ARG CG C -2.183 -6.669 0.309 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 14 . 3065 . 1 1 14 ARG CZ C 0.558 -9.088 -0.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 14 . 3066 . 1 1 14 ARG H H -3.002 -3.411 0.632 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 14 . 3067 . 1 1 14 ARG HA H -0.645 -4.890 1.444 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 14 . 3068 . 1 1 14 ARG HB3 H -0.898 -5.675 -1.057 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 14 . 3069 . 1 1 14 ARG HD3 H -1.377 -8.255 1.477 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 14 . 3070 . 1 1 14 ARG HE H -1.129 -8.405 -1.240 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 14 . 3071 . 1 1 14 ARG HG3 H -2.838 -7.188 -0.376 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 14 . 3072 . 1 1 14 ARG HH11 H 1.067 -8.559 1.458 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 14 . 3073 . 1 1 14 ARG HH12 H 2.184 -9.613 0.657 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 14 . 3074 . 1 1 14 ARG HH21 H 0.333 -9.794 -2.306 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 14 . 3075 . 1 1 14 ARG HH22 H 1.767 -10.315 -1.485 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 14 . 3076 . 1 1 14 ARG N N -2.194 -3.555 1.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 14 . 3077 . 1 1 14 ARG NE N -0.571 -8.390 -0.434 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 14 . 3078 . 1 1 14 ARG NH1 N 1.333 -9.086 0.651 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 14 . 3079 . 1 1 14 ARG NH2 N 0.915 -9.790 -1.493 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 14 . 3080 . 1 1 14 ARG O O -0.229 -3.147 -1.241 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 15 . 3081 . 1 1 1 CYS C C 3.349 -2.742 -0.542 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 15 . 3082 . 1 1 1 CYS CA C 2.487 -1.651 0.085 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 15 . 3083 . 1 1 1 CYS CB C 3.233 -1.006 1.256 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 15 . 3084 . 1 1 1 CYS H1 H 0.972 -2.126 1.486 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 15 . 3085 . 1 1 1 CYS HA H 2.283 -0.897 -0.660 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 15 . 3086 . 1 1 1 CYS HB3 H 4.242 -0.776 0.947 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3087 . 1 1 1 CYS N N 1.210 -2.191 0.536 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 15 . 3088 . 1 1 1 CYS O O 3.454 -3.849 -0.010 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 15 . 3089 . 1 1 1 CYS SG S 2.474 0.535 1.862 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 15 . 3090 . 1 1 2 THR C C 5.997 -2.675 -3.039 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 15 . 3091 . 1 1 2 THR CA C 4.816 -3.377 -2.377 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 15 . 3092 . 1 1 2 THR CB C 4.027 -4.153 -3.449 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 15 . 3093 . 1 1 2 THR CG2 C 3.602 -3.230 -4.581 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 15 . 3094 . 1 1 2 THR H H 3.841 -1.527 -2.050 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 15 . 3095 . 1 1 2 THR HA H 5.191 -4.084 -1.652 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 15 . 3096 . 1 1 2 THR HB H 3.142 -4.570 -2.991 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 15 . 3097 . 1 1 2 THR HG1 H 5.574 -4.852 -4.454 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 15 . 3098 . 1 1 2 THR HG21 H 3.936 -2.225 -4.370 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 15 . 3099 . 1 1 2 THR HG22 H 2.526 -3.242 -4.669 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 15 . 3100 . 1 1 2 THR HG23 H 4.044 -3.568 -5.506 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 15 . 3101 . 1 1 2 THR N N 3.964 -2.423 -1.676 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 15 . 3102 . 1 1 2 THR O O 6.492 -3.118 -4.075 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 15 . 3103 . 1 1 2 THR OG1 O 4.830 -5.218 -3.971 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 15 . 3104 . 1 1 3 ALA C C 8.290 -0.061 -1.854 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 15 . 3105 . 1 1 3 ALA CA C 7.568 -0.819 -2.964 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 15 . 3106 . 1 1 3 ALA CB C 7.093 0.144 -4.041 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 15 . 3107 . 1 1 3 ALA H H 6.008 -1.276 -1.610 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 15 . 3108 . 1 1 3 ALA HA H 8.258 -1.516 -3.418 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 15 . 3109 . 1 1 3 ALA HB1 H 6.220 -0.264 -4.529 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 15 . 3110 . 1 1 3 ALA HB2 H 6.841 1.093 -3.589 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 15 . 3111 . 1 1 3 ALA HB3 H 7.878 0.288 -4.767 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3112 . 1 1 3 ALA N N 6.443 -1.580 -2.434 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 15 . 3113 . 1 1 3 ALA O O 7.691 0.288 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 15 . 3114 . 1 1 4 SER C C 9.886 2.333 -0.896 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 15 . 3115 . 1 1 4 SER CA C 10.384 0.902 -1.072 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 15 . 3116 . 1 1 4 SER CB C 11.855 0.909 -1.493 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 15 . 3117 . 1 1 4 SER H H 10.000 -0.114 -2.889 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 15 . 3118 . 1 1 4 SER HA H 10.290 0.383 -0.130 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 15 . 3119 . 1 1 4 SER HB3 H 12.288 -0.060 -1.292 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3120 . 1 1 4 SER HG H 11.939 0.376 -3.375 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 15 . 3121 . 1 1 4 SER N N 9.580 0.190 -2.058 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 15 . 3122 . 1 1 4 SER O O 8.919 2.748 -1.536 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 15 . 3123 . 1 1 4 SER OG O 11.989 1.193 -2.875 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 15 . 3124 . 1 1 5 ILE C C 10.457 5.348 -0.981 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 15 . 3125 . 1 1 5 ILE CA C 10.182 4.468 0.233 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 15 . 3126 . 1 1 5 ILE CB C 10.938 5.037 1.448 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 15 . 3127 . 1 1 5 ILE CD1 C 9.627 3.483 2.979 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3128 . 1 1 5 ILE CG1 C 10.989 4.002 2.574 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 15 . 3129 . 1 1 5 ILE CG2 C 10.277 6.320 1.929 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 15 . 3130 . 1 1 5 ILE H H 11.316 2.696 0.452 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 15 . 3131 . 1 1 5 ILE HA H 9.123 4.492 0.450 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 15 . 3132 . 1 1 5 ILE HB H 11.944 5.271 1.139 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 15 . 3133 . 1 1 5 ILE HD11 H 9.044 4.287 3.400 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 15 . 3134 . 1 1 5 ILE HD12 H 9.120 3.084 2.112 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 15 . 3135 . 1 1 5 ILE HD13 H 9.745 2.700 3.716 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 15 . 3136 . 1 1 5 ILE HG13 H 11.445 4.452 3.445 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 15 . 3137 . 1 1 5 ILE HG21 H 9.330 6.087 2.393 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 15 . 3138 . 1 1 5 ILE HG22 H 10.918 6.806 2.650 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 15 . 3139 . 1 1 5 ILE HG23 H 10.116 6.979 1.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 15 . 3140 . 1 1 5 ILE N N 10.554 3.083 -0.026 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 15 . 3141 . 1 1 5 ILE O O 11.531 5.299 -1.584 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 15 . 3142 . 1 1 6 PRO C C 7.346 4.987 -0.844 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 15 . 3143 . 1 1 6 PRO CA C 8.187 6.242 -0.641 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 15 . 3144 . 1 1 6 PRO CB C 7.497 7.456 -1.268 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 15 . 3145 . 1 1 6 PRO CD C 9.524 7.109 -2.487 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 15 . 3146 . 1 1 6 PRO CG C 8.101 7.575 -2.625 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 15 . 3147 . 1 1 6 PRO HA H 8.327 6.414 0.417 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 15 . 3148 . 1 1 6 PRO HB3 H 7.692 8.334 -0.671 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3149 . 1 1 6 PRO HD3 H 10.176 7.943 -2.269 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 15 . 3150 . 1 1 6 PRO HG3 H 8.074 8.606 -2.948 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 15 . 3151 . 1 1 6 PRO N N 9.467 6.176 -1.350 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 15 . 3152 . 1 1 6 PRO O O 7.250 4.447 -1.946 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 15 . 3153 . 1 1 7 PRO C C 4.576 3.543 -0.559 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 15 . 3154 . 1 1 7 PRO CA C 5.874 3.315 0.208 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 15 . 3155 . 1 1 7 PRO CB C 5.580 3.044 1.686 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 15 . 3156 . 1 1 7 PRO CD C 6.789 5.104 1.588 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 15 . 3157 . 1 1 7 PRO CG C 5.718 4.372 2.348 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 15 . 3158 . 1 1 7 PRO HA H 6.398 2.470 -0.217 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 15 . 3159 . 1 1 7 PRO HB3 H 6.295 2.334 2.074 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3160 . 1 1 7 PRO HD3 H 7.756 4.929 2.037 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 15 . 3161 . 1 1 7 PRO HG3 H 6.014 4.239 3.378 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 15 . 3162 . 1 1 7 PRO N N 6.720 4.511 0.243 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 15 . 3163 . 1 1 7 PRO O O 3.846 4.497 -0.290 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 15 . 3164 . 1 1 8 ILE C C 2.152 1.592 -2.067 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 15 . 3165 . 1 1 8 ILE CA C 3.086 2.771 -2.321 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 15 . 3166 . 1 1 8 ILE CB C 3.413 2.838 -3.824 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 15 . 3167 . 1 1 8 ILE CD1 C 3.798 0.840 -5.353 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3168 . 1 1 8 ILE CG1 C 4.337 1.684 -4.219 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 15 . 3169 . 1 1 8 ILE CG2 C 4.051 4.176 -4.167 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 15 . 3170 . 1 1 8 ILE H H 4.919 1.925 -1.684 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 15 . 3171 . 1 1 8 ILE HA H 2.579 3.684 -2.040 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 15 . 3172 . 1 1 8 ILE HB H 2.489 2.754 -4.374 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 15 . 3173 . 1 1 8 ILE HD11 H 4.372 1.030 -6.248 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 15 . 3174 . 1 1 8 ILE HD12 H 3.873 -0.204 -5.090 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 15 . 3175 . 1 1 8 ILE HD13 H 2.763 1.094 -5.530 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 15 . 3176 . 1 1 8 ILE HG13 H 4.483 1.041 -3.364 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 15 . 3177 . 1 1 8 ILE HG21 H 3.484 4.973 -3.710 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 15 . 3178 . 1 1 8 ILE HG22 H 5.064 4.198 -3.794 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 15 . 3179 . 1 1 8 ILE HG23 H 4.059 4.308 -5.238 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 15 . 3180 . 1 1 8 ILE N N 4.296 2.664 -1.516 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 15 . 3181 . 1 1 8 ILE O O 2.458 0.455 -2.428 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 15 . 3182 . 1 1 9 CYS C C -1.058 0.789 -2.215 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 15 . 3183 . 1 1 9 CYS CA C 0.030 0.835 -1.146 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 15 . 3184 . 1 1 9 CYS CB C -0.598 1.079 0.226 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 15 . 3185 . 1 1 9 CYS H H 0.823 2.796 -1.185 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 15 . 3186 . 1 1 9 CYS HA H 0.543 -0.115 -1.134 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 15 . 3187 . 1 1 9 CYS HB3 H -1.451 0.427 0.346 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3188 . 1 1 9 CYS N N 1.011 1.870 -1.448 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 15 . 3189 . 1 1 9 CYS O O -1.728 1.789 -2.477 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 15 . 3190 . 1 1 9 CYS SG S 0.530 0.781 1.625 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 15 . 3191 . 1 1 10 HIS C C -3.511 -1.163 -3.293 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 15 . 3192 . 1 1 10 HIS CA C -2.236 -0.554 -3.869 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 15 . 3193 . 1 1 10 HIS CB C -1.695 -1.444 -4.989 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 15 . 3194 . 1 1 10 HIS CD2 C -2.162 -3.919 -4.373 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3195 . 1 1 10 HIS CE1 C -0.115 -4.514 -3.861 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3196 . 1 1 10 HIS CG C -1.369 -2.836 -4.543 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 15 . 3197 . 1 1 10 HIS H H -0.665 -1.138 -2.576 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 15 . 3198 . 1 1 10 HIS HA H -2.469 0.419 -4.274 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 15 . 3199 . 1 1 10 HIS HB3 H -0.792 -1.001 -5.385 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3200 . 1 1 10 HIS HD1 H 0.710 -2.679 -4.236 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3201 . 1 1 10 HIS HD2 H -3.229 -3.966 -4.539 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3202 . 1 1 10 HIS HE1 H 0.739 -5.099 -3.553 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3203 . 1 1 10 HIS N N -1.229 -0.377 -2.829 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 15 . 3204 . 1 1 10 HIS ND1 N -0.093 -3.240 -4.213 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 15 . 3205 . 1 1 10 HIS NE2 N -1.359 -4.949 -3.948 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 15 . 3206 . 1 1 10 HIS O O -4.260 -1.843 -3.995 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 15 . 3207 . 1 1 11 . C C -4.971 -1.001 0.123 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 15 . 3208 . 1 1 11 . CA C -4.937 -1.436 -1.338 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 15 . 3209 . 1 1 11 . CB C -6.205 -0.964 -2.053 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 15 . 3210 . 1 1 11 . CD1 C -6.174 0.712 -3.920 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3211 . 1 1 11 . CD2 C -5.974 1.506 -1.681 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3212 . 1 1 11 . CE1 C -6.092 2.009 -4.392 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3213 . 1 1 11 . CE2 C -5.891 2.805 -2.146 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 15 . 3214 . 1 1 11 . CG C -6.116 0.445 -2.561 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 15 . 3215 . 1 1 11 . CZ C -5.951 3.056 -3.503 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 15 . 3216 . 1 1 11 . H H -3.120 -0.365 -1.503 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 15 . 3217 . 1 1 11 . HA H -4.891 -2.515 -1.380 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 15 . 3218 . 1 1 11 . HB2 H -7.038 -1.017 -1.367 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 15 . 3219 . 1 1 11 . HB3 H -6.397 -1.611 -2.897 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3220 . 1 1 11 . HD1 H -6.285 -0.108 -4.616 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3221 . 1 1 11 . HD2 H -5.928 1.311 -0.619 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3222 . 1 1 11 . HE1 H -6.140 2.203 -5.453 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3223 . 1 1 11 . HE2 H -5.781 3.623 -1.449 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 15 . 3224 . 1 1 11 . HZ H -5.886 4.071 -3.869 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 15 . 3225 . 1 1 11 . N N -3.753 -0.914 -2.010 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 15 . 3226 . 1 1 11 . O O -4.398 0.024 0.490 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 15 . 3227 . 1 1 12 MMO C C -5.411 -2.709 3.220 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 15 . 3228 . 1 1 12 MMO CA C -5.756 -1.486 2.376 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 15 . 3229 . 1 1 12 MMO CB C -7.169 -1.004 2.709 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 15 . 3230 . 1 1 12 MMO CD C -8.798 0.903 2.556 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 15 . 3231 . 1 1 12 MMO CG C -7.333 0.505 2.632 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 15 . 3232 . 1 1 12 MMO CN C -6.300 -2.995 0.426 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 15 . 3233 . 1 1 12 MMO CZ C -9.743 0.449 4.781 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 15 . 3234 . 1 1 12 MMO HA H -5.054 -0.697 2.602 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 15 . 3235 . 1 1 12 MMO HC1 H -5.545 -3.680 0.040 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 15 . 3236 . 1 1 12 MMO HC2 H -6.981 -2.716 -0.379 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 15 . 3237 . 1 1 12 MMO HC3 H -6.861 -3.483 1.222 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 15 . 3238 . 1 1 12 MMO HCB1 H -7.864 -1.456 2.017 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 15 . 3239 . 1 1 12 MMO HCB2 H -7.416 -1.321 3.712 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 15 . 3240 . 1 1 12 MMO HCD1 H -8.884 1.955 2.789 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3241 . 1 1 12 MMO HCD2 H -9.155 0.725 1.553 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3242 . 1 1 12 MMO HCG1 H -6.895 0.950 3.514 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 15 . 3243 . 1 1 12 MMO HCG2 H -6.824 0.867 1.752 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 15 . 3244 . 1 1 12 MMO HH11 H -10.997 -1.081 5.197 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 15 . 3245 . 1 1 12 MMO HH12 H -10.600 -0.061 6.539 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 15 . 3246 . 1 1 12 MMO HH21 H -8.521 2.054 4.687 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 15 . 3247 . 1 1 12 MMO HH22 H -9.194 1.723 6.250 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 15 . 3248 . 1 1 12 MMO N N -5.646 -1.789 0.953 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 15 . 3249 . 1 1 12 MMO NE N -9.621 0.142 3.494 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 15 . 3250 . 1 1 12 MMO NH1 N -10.510 -0.292 5.571 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 15 . 3251 . 1 1 12 MMO NH2 N -9.099 1.494 5.281 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 15 . 3252 . 1 1 12 MMO O O -6.297 -3.422 3.689 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 15 . 3253 . 1 1 13 . C C -1.915 -2.899 2.319 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 15 . 3254 . 1 1 13 . CA C -3.091 -2.080 2.836 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 15 . 3255 . 1 1 13 . CB C -2.606 -1.072 3.881 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 15 . 3256 . 1 1 13 . CD1 C -4.355 -1.110 5.752 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3257 . 1 1 13 . CD2 C -4.308 0.794 4.575 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 15 . 3258 . 1 1 13 . CE2 C -5.305 0.903 5.565 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 15 . 3259 . 1 1 13 . CE3 C -4.096 1.874 3.714 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 15 . 3260 . 1 1 13 . CG C -3.713 -0.500 4.713 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 15 . 3261 . 1 1 13 . CH2 C -5.856 3.087 4.855 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 15 . 3262 . 1 1 13 . CN2 C -3.710 -4.106 4.211 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 15 . 3263 . 1 1 13 . CZ2 C -6.086 2.046 5.714 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 15 . 3264 . 1 1 13 . CZ3 C -4.871 3.008 3.862 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 15 . 3265 . 1 1 13 . HA H -3.534 -1.543 2.011 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 15 . 3266 . 1 1 13 . HB2 H -1.908 -1.558 4.543 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 15 . 3267 . 1 1 13 . HB3 H -2.110 -0.254 3.377 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3268 . 1 1 13 . HD1 H -4.134 -2.105 6.105 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 15 . 3269 . 1 1 13 . HE1 H -5.908 -0.482 7.021 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3270 . 1 1 13 . HE3 H -3.341 1.832 2.942 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 15 . 3271 . 1 1 13 . HH2 H -6.438 3.993 4.935 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 15 . 3272 . 1 1 13 . HN1 H -3.000 -4.709 3.646 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 15 . 3273 . 1 1 13 . HN2 H -4.585 -4.707 4.453 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 15 . 3274 . 1 1 13 . HN3 H -3.240 -3.762 5.134 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 15 . 3275 . 1 1 13 . HZ2 H -6.848 2.123 6.475 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 15 . 3276 . 1 1 13 . HZ3 H -4.720 3.852 3.204 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 15 . 3277 . 1 1 13 . N N -4.116 -2.944 3.408 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 15 . 3278 . 1 1 13 . NE1 N -5.315 -0.272 6.269 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 15 . 3279 . 1 1 13 . O O -1.139 -3.451 3.099 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 15 . 3280 . 1 1 14 ARG C C 0.316 -2.787 -0.260 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 15 . 3281 . 1 1 14 ARG CA C -0.704 -3.726 0.375 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 15 . 3282 . 1 1 14 ARG CB C -1.262 -4.682 -0.682 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 15 . 3283 . 1 1 14 ARG CD C -2.551 -6.787 -1.153 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 15 . 3284 . 1 1 14 ARG CG C -2.218 -5.720 -0.120 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 15 . 3285 . 1 1 14 ARG CZ C -1.392 -8.510 -2.469 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 15 . 3286 . 1 1 14 ARG H H -2.436 -2.510 0.427 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 15 . 3287 . 1 1 14 ARG HA H -0.215 -4.302 1.147 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 15 . 3288 . 1 1 14 ARG HB3 H -0.438 -5.197 -1.152 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 15 . 3289 . 1 1 14 ARG HD3 H -3.017 -6.312 -2.002 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 15 . 3290 . 1 1 14 ARG HE H -0.495 -7.218 -1.242 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 15 . 3291 . 1 1 14 ARG HG3 H -3.130 -5.229 0.184 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 15 . 3292 . 1 1 14 ARG HH11 H -3.397 -8.465 -2.705 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 15 . 3293 . 1 1 14 ARG HH12 H -2.568 -9.676 -3.627 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 15 . 3294 . 1 1 14 ARG HH21 H 0.608 -8.807 -2.451 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 15 . 3295 . 1 1 14 ARG HH22 H -0.290 -9.869 -3.480 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 15 . 3296 . 1 1 14 ARG N N -1.787 -2.973 0.997 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 15 . 3297 . 1 1 14 ARG NE N -1.360 -7.502 -1.603 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 15 . 3298 . 1 1 14 ARG NH1 N -2.547 -8.917 -2.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 15 . 3299 . 1 1 14 ARG NH2 N -0.265 -9.111 -2.830 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 15 . 3300 . 1 1 14 ARG O O 0.337 -2.608 -1.478 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 16 . 3301 . 1 1 1 CYS C C 3.371 -2.310 0.663 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 16 . 3302 . 1 1 1 CYS CA C 1.901 -1.909 0.723 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 16 . 3303 . 1 1 1 CYS CB C 1.670 -0.951 1.894 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 16 . 3304 . 1 1 1 CYS H1 H 1.208 -3.711 1.589 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 16 . 3305 . 1 1 1 CYS HA H 1.639 -1.408 -0.197 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 16 . 3306 . 1 1 1 CYS HB3 H 2.402 -0.157 1.851 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3307 . 1 1 1 CYS N N 1.046 -3.083 0.855 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 16 . 3308 . 1 1 1 CYS O O 3.745 -3.409 1.075 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 16 . 3309 . 1 1 1 CYS SG S 0.019 -0.181 1.911 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 16 . 3310 . 1 1 2 THR C C 6.348 -1.411 1.351 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 16 . 3311 . 1 1 2 THR CA C 5.633 -1.672 0.031 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 16 . 3312 . 1 1 2 THR CB C 6.275 -0.803 -1.069 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 16 . 3313 . 1 1 2 THR CG2 C 6.551 0.601 -0.556 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 16 . 3314 . 1 1 2 THR H H 3.846 -0.554 -0.165 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 16 . 3315 . 1 1 2 THR HA H 5.763 -2.710 -0.239 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 16 . 3316 . 1 1 2 THR HB H 5.590 -0.739 -1.901 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 16 . 3317 . 1 1 2 THR HG1 H 7.301 -2.204 -2.006 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 16 . 3318 . 1 1 2 THR HG21 H 6.312 1.319 -1.327 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 16 . 3319 . 1 1 2 THR HG22 H 7.595 0.689 -0.290 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 16 . 3320 . 1 1 2 THR HG23 H 5.940 0.793 0.313 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 16 . 3321 . 1 1 2 THR N N 4.204 -1.413 0.146 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 16 . 3322 . 1 1 2 THR O O 5.714 -1.122 2.364 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 16 . 3323 . 1 1 2 THR OG1 O 7.497 -1.402 -1.514 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 16 . 3324 . 1 1 3 ALA C C 9.602 -0.294 2.252 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 16 . 3325 . 1 1 3 ALA CA C 8.475 -1.285 2.527 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 16 . 3326 . 1 1 3 ALA CB C 9.040 -2.600 3.043 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 16 . 3327 . 1 1 3 ALA H H 8.122 -1.746 0.492 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 16 . 3328 . 1 1 3 ALA HA H 7.828 -0.876 3.289 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 16 . 3329 . 1 1 3 ALA HB1 H 8.526 -3.423 2.567 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 16 . 3330 . 1 1 3 ALA HB2 H 10.094 -2.654 2.815 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 16 . 3331 . 1 1 3 ALA HB3 H 8.898 -2.657 4.112 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3332 . 1 1 3 ALA N N 7.674 -1.512 1.331 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 16 . 3333 . 1 1 3 ALA O O 10.333 0.096 3.162 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 16 . 3334 . 1 1 4 SER C C 10.235 2.471 0.552 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 16 . 3335 . 1 1 4 SER CA C 10.779 1.047 0.596 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 16 . 3336 . 1 1 4 SER CB C 11.349 0.664 -0.770 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 16 . 3337 . 1 1 4 SER H H 9.123 -0.242 0.311 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 16 . 3338 . 1 1 4 SER HA H 11.567 0.996 1.333 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 16 . 3339 . 1 1 4 SER HB3 H 11.939 -0.236 -0.672 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3340 . 1 1 4 SER HG H 9.722 1.188 -1.728 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 16 . 3341 . 1 1 4 SER N N 9.737 0.105 0.992 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 16 . 3342 . 1 1 4 SER O O 9.057 2.706 0.819 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 16 . 3343 . 1 1 4 SER OG O 10.313 0.431 -1.710 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 16 . 3344 . 1 1 5 ILE C C 10.935 5.374 -1.270 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 16 . 3345 . 1 1 5 ILE CA C 10.711 4.819 0.132 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 16 . 3346 . 1 1 5 ILE CB C 11.489 5.681 1.143 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 16 . 3347 . 1 1 5 ILE CD1 C 9.846 5.139 3.009 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3348 . 1 1 5 ILE CG1 C 11.292 5.147 2.562 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 16 . 3349 . 1 1 5 ILE CG2 C 11.048 7.134 1.052 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 16 . 3350 . 1 1 5 ILE H H 12.029 3.169 0.011 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 16 . 3351 . 1 1 5 ILE HA H 9.659 4.885 0.368 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 16 . 3352 . 1 1 5 ILE HB H 12.538 5.633 0.891 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 16 . 3353 . 1 1 5 ILE HD11 H 9.230 5.589 2.243 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 16 . 3354 . 1 1 5 ILE HD12 H 9.526 4.123 3.179 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 16 . 3355 . 1 1 5 ILE HD13 H 9.749 5.705 3.925 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 16 . 3356 . 1 1 5 ILE HG13 H 11.850 5.762 3.253 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 16 . 3357 . 1 1 5 ILE HG21 H 11.725 7.753 1.623 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 16 . 3358 . 1 1 5 ILE HG22 H 11.058 7.449 0.019 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 16 . 3359 . 1 1 5 ILE HG23 H 10.050 7.233 1.449 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 16 . 3360 . 1 1 5 ILE N N 11.103 3.418 0.213 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 16 . 3361 . 1 1 5 ILE O O 11.978 5.163 -1.889 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 16 . 3362 . 1 1 6 PRO C C 7.831 5.106 -0.914 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 16 . 3363 . 1 1 6 PRO CA C 8.687 6.361 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 16 . 3364 . 1 1 6 PRO CB C 7.975 7.396 -1.934 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 16 . 3365 . 1 1 6 PRO CD C 9.941 6.730 -3.118 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 16 . 3366 . 1 1 6 PRO CG C 8.516 7.172 -3.303 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 16 . 3367 . 1 1 6 PRO HA H 8.877 6.781 -0.083 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 16 . 3368 . 1 1 6 PRO HB3 H 8.202 8.391 -1.577 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3369 . 1 1 6 PRO HD3 H 10.606 7.581 -3.139 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 16 . 3370 . 1 1 6 PRO HG3 H 8.480 8.092 -3.867 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 16 . 3371 . 1 1 6 PRO N N 9.933 6.103 -1.787 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 16 . 3372 . 1 1 6 PRO O O 7.999 4.123 -1.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 16 . 3373 . 1 1 7 PRO C C 4.979 3.806 -0.825 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 16 . 3374 . 1 1 7 PRO CA C 5.986 4.015 0.300 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 16 . 3375 . 1 1 7 PRO CB C 5.270 4.427 1.590 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 16 . 3376 . 1 1 7 PRO CD C 6.631 6.280 0.936 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 16 . 3377 . 1 1 7 PRO CG C 5.332 5.915 1.599 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 16 . 3378 . 1 1 7 PRO HA H 6.533 3.098 0.467 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 16 . 3379 . 1 1 7 PRO HB3 H 5.784 4.005 2.440 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3380 . 1 1 7 PRO HD3 H 7.417 6.376 1.671 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 16 . 3381 . 1 1 7 PRO HG3 H 5.315 6.276 2.616 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 16 . 3382 . 1 1 7 PRO N N 6.888 5.140 0.039 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 16 . 3383 . 1 1 7 PRO O O 4.797 4.677 -1.677 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 16 . 3384 . 1 1 8 ILE C C 2.141 1.597 -1.237 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 16 . 3385 . 1 1 8 ILE CA C 3.335 2.328 -1.841 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 16 . 3386 . 1 1 8 ILE CB C 3.941 1.463 -2.962 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 16 . 3387 . 1 1 8 ILE CD1 C 5.647 2.051 -4.758 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3388 . 1 1 8 ILE CG1 C 4.276 2.328 -4.178 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 16 . 3389 . 1 1 8 ILE CG2 C 2.982 0.348 -3.346 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 16 . 3390 . 1 1 8 ILE H H 4.514 1.997 -0.115 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 16 . 3391 . 1 1 8 ILE HA H 2.992 3.257 -2.275 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 16 . 3392 . 1 1 8 ILE HB H 4.847 1.013 -2.587 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 16 . 3393 . 1 1 8 ILE HD11 H 6.122 2.984 -5.020 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 16 . 3394 . 1 1 8 ILE HD12 H 6.248 1.532 -4.025 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 16 . 3395 . 1 1 8 ILE HD13 H 5.547 1.438 -5.641 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 16 . 3396 . 1 1 8 ILE HG13 H 4.241 3.368 -3.892 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 16 . 3397 . 1 1 8 ILE HG21 H 2.894 -0.351 -2.527 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 16 . 3398 . 1 1 8 ILE HG22 H 2.011 0.767 -3.565 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 16 . 3399 . 1 1 8 ILE HG23 H 3.357 -0.167 -4.218 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 16 . 3400 . 1 1 8 ILE N N 4.326 2.650 -0.821 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 16 . 3401 . 1 1 8 ILE O O 2.298 0.754 -0.353 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 16 . 3402 . 1 1 9 CYS C C -1.282 1.111 -2.364 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 16 . 3403 . 1 1 9 CYS CA C -0.274 1.295 -1.233 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 16 . 3404 . 1 1 9 CYS CB C -0.892 2.138 -0.115 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 16 . 3405 . 1 1 9 CYS H H 0.886 2.602 -2.427 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 16 . 3406 . 1 1 9 CYS HA H -0.014 0.325 -0.837 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 16 . 3407 . 1 1 9 CYS HB3 H -1.938 1.885 -0.021 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3408 . 1 1 9 CYS N N 0.948 1.923 -1.721 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 16 . 3409 . 1 1 9 CYS O O -1.860 2.078 -2.857 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 16 . 3410 . 1 1 9 CYS SG S -0.113 1.900 1.514 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 16 . 3411 . 1 1 10 HIS C C -3.636 -1.207 -3.298 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 16 . 3412 . 1 1 10 HIS CA C -2.425 -0.452 -3.839 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 16 . 3413 . 1 1 10 HIS CB C -1.735 -1.278 -4.925 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 16 . 3414 . 1 1 10 HIS CD2 C -1.942 -3.797 -4.342 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3415 . 1 1 10 HIS CE1 C 0.117 -4.139 -3.670 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3416 . 1 1 10 HIS CG C -1.276 -2.623 -4.452 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 16 . 3417 . 1 1 10 HIS H H -0.995 -0.867 -2.334 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 16 . 3418 . 1 1 10 HIS HA H -2.761 0.481 -4.268 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 16 . 3419 . 1 1 10 HIS HB3 H -0.871 -0.739 -5.284 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3420 . 1 1 10 HIS HD1 H 0.736 -2.215 -3.983 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3421 . 1 1 10 HIS HD2 H -2.979 -3.973 -4.590 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3422 . 1 1 10 HIS HE1 H 1.010 -4.617 -3.295 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3423 . 1 1 10 HIS N N -1.486 -0.139 -2.767 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 16 . 3424 . 1 1 10 HIS ND1 N 0.010 -2.870 -4.023 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 16 . 3425 . 1 1 10 HIS NE2 N -1.053 -4.724 -3.853 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 16 . 3426 . 1 1 10 HIS O O -4.218 -2.043 -3.990 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 16 . 3427 . 1 1 11 . C C -5.275 -1.137 0.035 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 16 . 3428 . 1 1 11 . CA C -5.148 -1.561 -1.426 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 16 . 3429 . 1 1 11 . CB C -6.438 -1.226 -2.179 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 16 . 3430 . 1 1 11 . CD1 C -6.181 1.270 -2.216 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3431 . 1 1 11 . CD2 C -8.198 0.351 -1.335 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3432 . 1 1 11 . CE1 C -6.649 2.547 -1.964 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3433 . 1 1 11 . CE2 C -8.670 1.624 -1.082 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 16 . 3434 . 1 1 11 . CG C -6.949 0.160 -1.904 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 16 . 3435 . 1 1 11 . CZ C -7.896 2.723 -1.397 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 16 . 3436 . 1 1 11 . H H -3.503 -0.235 -1.557 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 16 . 3437 . 1 1 11 . HA H -4.985 -2.626 -1.465 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 16 . 3438 . 1 1 11 . HB2 H -7.207 -1.925 -1.891 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 16 . 3439 . 1 1 11 . HB3 H -6.258 -1.310 -3.240 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3440 . 1 1 11 . HD1 H -5.206 1.132 -2.660 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3441 . 1 1 11 . HD2 H -8.805 -0.507 -1.088 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3442 . 1 1 11 . HE1 H -6.040 3.403 -2.212 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3443 . 1 1 11 . HE2 H -9.645 1.761 -0.638 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 16 . 3444 . 1 1 11 . HZ H -8.262 3.719 -1.199 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 16 . 3445 . 1 1 11 . N N -4.007 -0.909 -2.059 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 16 . 3446 . 1 1 11 . O O -4.901 -0.024 0.404 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 16 . 3447 . 1 1 12 MMO C C -5.571 -2.958 3.127 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 16 . 3448 . 1 1 12 MMO CA C -5.979 -1.754 2.282 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 16 . 3449 . 1 1 12 MMO CB C -7.433 -1.381 2.574 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 16 . 3450 . 1 1 12 MMO CD C -8.865 0.591 3.189 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 16 . 3451 . 1 1 12 MMO CG C -7.759 0.074 2.280 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 16 . 3452 . 1 1 12 MMO CN C -6.222 -3.339 0.331 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 16 . 3453 . 1 1 12 MMO CZ C -11.311 0.447 3.384 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 16 . 3454 . 1 1 12 MMO HA H -5.344 -0.919 2.536 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 16 . 3455 . 1 1 12 MMO HC1 H -6.710 -3.914 1.118 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 16 . 3456 . 1 1 12 MMO HC2 H -5.346 -3.883 -0.026 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 16 . 3457 . 1 1 12 MMO HC3 H -6.916 -3.190 -0.494 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 16 . 3458 . 1 1 12 MMO HCB1 H -8.080 -1.999 1.970 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 16 . 3459 . 1 1 12 MMO HCB2 H -7.638 -1.570 3.617 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 16 . 3460 . 1 1 12 MMO HCD1 H -8.705 0.204 4.184 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3461 . 1 1 12 MMO HCD2 H -8.820 1.670 3.209 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3462 . 1 1 12 MMO HCG1 H -6.873 0.670 2.437 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 16 . 3463 . 1 1 12 MMO HCG2 H -8.078 0.162 1.253 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 16 . 3464 . 1 1 12 MMO HH11 H -12.511 -0.470 2.040 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 16 . 3465 . 1 1 12 MMO HH12 H -13.323 0.242 3.395 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 16 . 3466 . 1 1 12 MMO HH21 H -10.395 1.432 4.890 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 16 . 3467 . 1 1 12 MMO HH22 H -12.119 1.323 5.017 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 16 . 3468 . 1 1 12 MMO N N -5.804 -2.034 0.862 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 16 . 3469 . 1 1 12 MMO NE N -10.188 0.180 2.728 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 16 . 3470 . 1 1 12 MMO NH1 N -12.478 0.039 2.900 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 16 . 3471 . 1 1 12 MMO NH2 N -11.271 1.123 4.525 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 16 . 3472 . 1 1 12 MMO O O -6.421 -3.721 3.588 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 16 . 3473 . 1 1 13 . C C -2.050 -2.946 2.279 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 16 . 3474 . 1 1 13 . CA C -3.289 -2.199 2.763 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 16 . 3475 . 1 1 13 . CB C -2.893 -1.149 3.802 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 16 . 3476 . 1 1 13 . CD1 C -4.503 -1.452 5.772 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3477 . 1 1 13 . CD2 C -4.808 0.443 4.616 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 16 . 3478 . 1 1 13 . CE2 C -5.749 0.398 5.662 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 16 . 3479 . 1 1 13 . CE3 C -4.809 1.544 3.756 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 16 . 3480 . 1 1 13 . CG C -4.021 -0.750 4.704 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 16 . 3481 . 1 1 13 . CH2 C -6.660 2.478 5.013 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 16 . 3482 . 1 1 13 . CN2 C -3.804 -4.259 4.129 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 16 . 3483 . 1 1 13 . CZ2 C -6.681 1.413 5.869 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 16 . 3484 . 1 1 13 . CZ3 C -5.734 2.549 3.962 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 16 . 3485 . 1 1 13 . HA H -3.747 -1.702 1.921 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 16 . 3486 . 1 1 13 . HB2 H -2.097 -1.542 4.417 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 16 . 3487 . 1 1 13 . HB3 H -2.544 -0.262 3.292 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3488 . 1 1 13 . HD1 H -4.115 -2.404 6.100 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 16 . 3489 . 1 1 13 . HE1 H -6.053 -1.065 7.135 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3490 . 1 1 13 . HE3 H -4.104 1.616 2.941 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 16 . 3491 . 1 1 13 . HH2 H -7.363 3.287 5.135 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 16 . 3492 . 1 1 13 . HN1 H -4.652 -4.887 4.398 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 16 . 3493 . 1 1 13 . HN2 H -3.321 -3.893 5.034 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 16 . 3494 . 1 1 13 . HN3 H -3.088 -4.845 3.549 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 16 . 3495 . 1 1 13 . HZ2 H -7.401 1.373 6.676 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 16 . 3496 . 1 1 13 . HZ3 H -5.751 3.408 3.307 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 16 . 3497 . 1 1 13 . N N -4.268 -3.122 3.325 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 16 . 3498 . 1 1 13 . NE1 N -5.543 -0.767 6.353 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 16 . 3499 . 1 1 13 . O O -1.019 -2.955 2.950 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 16 . 3500 . 1 1 14 ARG C C 0.038 -3.382 0.031 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 16 . 3501 . 1 1 14 ARG CA C -1.051 -4.323 0.541 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 16 . 3502 . 1 1 14 ARG CB C -1.544 -5.215 -0.601 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 16 . 3503 . 1 1 14 ARG CD C -2.926 -6.830 0.739 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 16 . 3504 . 1 1 14 ARG CG C -1.740 -6.667 -0.197 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 16 . 3505 . 1 1 14 ARG CZ C -3.325 -7.434 3.090 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 16 . 3506 . 1 1 14 ARG H H -3.010 -3.529 0.624 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 16 . 3507 . 1 1 14 ARG HA H -0.637 -4.946 1.319 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 16 . 3508 . 1 1 14 ARG HB3 H -0.824 -5.181 -1.405 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 16 . 3509 . 1 1 14 ARG HD3 H -3.506 -7.683 0.422 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 16 . 3510 . 1 1 14 ARG HE H -1.568 -6.858 2.344 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 16 . 3511 . 1 1 14 ARG HG3 H -0.848 -7.016 0.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 16 . 3512 . 1 1 14 ARG HH11 H -4.948 -7.556 1.892 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 16 . 3513 . 1 1 14 ARG HH12 H -5.216 -7.979 3.551 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 16 . 3514 . 1 1 14 ARG HH21 H -1.907 -7.412 4.530 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 16 . 3515 . 1 1 14 ARG HH22 H -3.486 -7.897 5.051 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 16 . 3516 . 1 1 14 ARG N N -2.161 -3.571 1.112 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 16 . 3517 . 1 1 14 ARG NE N -2.507 -7.031 2.124 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 16 . 3518 . 1 1 14 ARG NH1 N -4.602 -7.677 2.823 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 16 . 3519 . 1 1 14 ARG NH2 N -2.869 -7.595 4.325 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 16 . 3520 . 1 1 14 ARG O O -0.051 -2.860 -1.080 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 17 . 3521 . 1 1 1 CYS C C 3.276 -2.508 -0.438 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 17 . 3522 . 1 1 1 CYS CA C 2.376 -1.442 0.175 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 17 . 3523 . 1 1 1 CYS CB C 2.946 -0.991 1.522 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 17 . 3524 . 1 1 1 CYS H1 H 0.454 -1.567 1.055 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 17 . 3525 . 1 1 1 CYS HA H 2.337 -0.594 -0.490 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 17 . 3526 . 1 1 1 CYS HB3 H 4.025 -0.979 1.461 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3527 . 1 1 1 CYS N N 1.017 -1.942 0.344 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 17 . 3528 . 1 1 1 CYS O O 3.294 -3.656 0.008 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 17 . 3529 . 1 1 1 CYS SG S 2.400 0.667 2.044 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 17 . 3530 . 1 1 2 THR C C 5.911 -2.298 -3.038 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 17 . 3531 . 1 1 2 THR CA C 4.927 -3.047 -2.145 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 17 . 3532 . 1 1 2 THR CB C 4.149 -4.067 -2.999 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 17 . 3533 . 1 1 2 THR CG2 C 3.471 -3.382 -4.176 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 17 . 3534 . 1 1 2 THR H H 3.967 -1.196 -1.778 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 17 . 3535 . 1 1 2 THR HA H 5.479 -3.587 -1.390 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 17 . 3536 . 1 1 2 THR HB H 3.391 -4.526 -2.382 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 17 . 3537 . 1 1 2 THR HG1 H 5.031 -5.826 -2.872 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 17 . 3538 . 1 1 2 THR HG21 H 3.666 -2.320 -4.136 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 17 . 3539 . 1 1 2 THR HG22 H 2.407 -3.555 -4.129 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 17 . 3540 . 1 1 2 THR HG23 H 3.861 -3.783 -5.100 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 17 . 3541 . 1 1 2 THR N N 4.024 -2.123 -1.468 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 17 . 3542 . 1 1 2 THR O O 6.352 -2.817 -4.062 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 17 . 3543 . 1 1 2 THR OG1 O 5.040 -5.081 -3.478 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 17 . 3544 . 1 1 3 ALA C C 8.161 0.464 -2.483 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 17 . 3545 . 1 1 3 ALA CA C 7.184 -0.257 -3.404 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 17 . 3546 . 1 1 3 ALA CB C 6.426 0.746 -4.262 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 17 . 3547 . 1 1 3 ALA H H 5.863 -0.717 -1.816 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 17 . 3548 . 1 1 3 ALA HA H 7.739 -0.909 -4.062 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 17 . 3549 . 1 1 3 ALA HB1 H 6.255 0.324 -5.242 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 17 . 3550 . 1 1 3 ALA HB2 H 5.480 0.976 -3.798 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 17 . 3551 . 1 1 3 ALA HB3 H 7.010 1.650 -4.358 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3552 . 1 1 3 ALA N N 6.250 -1.076 -2.642 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 17 . 3553 . 1 1 3 ALA O O 7.780 0.955 -1.420 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 17 . 3554 . 1 1 4 SER C C 10.014 2.580 -1.687 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 17 . 3555 . 1 1 4 SER CA C 10.457 1.180 -2.106 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 17 . 3556 . 1 1 4 SER CB C 11.762 1.262 -2.901 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 17 . 3557 . 1 1 4 SER H H 9.664 0.113 -3.754 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 17 . 3558 . 1 1 4 SER HA H 10.623 0.587 -1.218 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 17 . 3559 . 1 1 4 SER HB3 H 12.312 0.341 -2.778 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3560 . 1 1 4 SER HG H 10.808 2.112 -4.384 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 17 . 3561 . 1 1 4 SER N N 9.423 0.523 -2.896 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 17 . 3562 . 1 1 4 SER O O 9.175 3.197 -2.342 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 17 . 3563 . 1 1 4 SER OG O 11.507 1.464 -4.280 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 17 . 3564 . 1 1 5 ILE C C 10.331 5.443 -1.193 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 17 . 3565 . 1 1 5 ILE CA C 10.250 4.396 -0.087 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 17 . 3566 . 1 1 5 ILE CB C 11.183 4.811 1.066 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 17 . 3567 . 1 1 5 ILE CD1 C 9.875 3.312 2.654 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3568 . 1 1 5 ILE CG1 C 11.237 3.713 2.128 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 17 . 3569 . 1 1 5 ILE CG2 C 10.718 6.124 1.677 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 17 . 3570 . 1 1 5 ILE H H 11.246 2.530 -0.113 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 17 . 3571 . 1 1 5 ILE HA H 9.238 4.363 0.290 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 17 . 3572 . 1 1 5 ILE HB H 12.172 4.960 0.662 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 17 . 3573 . 1 1 5 ILE HD11 H 9.409 4.163 3.129 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 17 . 3574 . 1 1 5 ILE HD12 H 9.259 2.972 1.835 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 17 . 3575 . 1 1 5 ILE HD13 H 9.988 2.515 3.374 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 17 . 3576 . 1 1 5 ILE HG13 H 11.827 4.058 2.964 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 17 . 3577 . 1 1 5 ILE HG21 H 11.433 6.449 2.419 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 17 . 3578 . 1 1 5 ILE HG22 H 10.639 6.874 0.903 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 17 . 3579 . 1 1 5 ILE HG23 H 9.755 5.984 2.143 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 17 . 3580 . 1 1 5 ILE N N 10.585 3.070 -0.593 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 17 . 3581 . 1 1 5 ILE O O 11.312 5.528 -1.930 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 17 . 3582 . 1 1 6 PRO C C 7.280 4.909 -0.704 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 17 . 3583 . 1 1 6 PRO CA C 8.100 6.168 -0.440 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 17 . 3584 . 1 1 6 PRO CB C 7.292 7.418 -0.800 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 17 . 3585 . 1 1 6 PRO CD C 9.144 7.338 -2.306 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 17 . 3586 . 1 1 6 PRO CG C 7.703 7.747 -2.193 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 17 . 3587 . 1 1 6 PRO HA H 8.376 6.203 0.603 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 17 . 3588 . 1 1 6 PRO HB3 H 7.537 8.217 -0.117 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3589 . 1 1 6 PRO HD3 H 9.793 8.167 -2.062 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 17 . 3590 . 1 1 6 PRO HG3 H 7.598 8.808 -2.365 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 17 . 3591 . 1 1 6 PRO N N 9.273 6.261 -1.312 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 17 . 3592 . 1 1 6 PRO O O 7.171 4.436 -1.836 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 17 . 3593 . 1 1 7 PRO C C 4.546 3.391 -0.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 17 . 3594 . 1 1 7 PRO CA C 5.864 3.143 0.270 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 17 . 3595 . 1 1 7 PRO CB C 5.607 2.777 1.733 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 17 . 3596 . 1 1 7 PRO CD C 6.771 4.864 1.741 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 17 . 3597 . 1 1 7 PRO CG C 5.732 4.064 2.473 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 17 . 3598 . 1 1 7 PRO HA H 6.395 2.339 -0.216 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 17 . 3599 . 1 1 7 PRO HB3 H 6.344 2.060 2.063 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3600 . 1 1 7 PRO HD3 H 7.750 4.683 2.158 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 17 . 3601 . 1 1 7 PRO HG3 H 6.051 3.874 3.488 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 17 . 3602 . 1 1 7 PRO N N 6.686 4.354 0.362 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 17 . 3603 . 1 1 7 PRO O O 3.743 4.227 -0.037 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 17 . 3604 . 1 1 8 ILE C C 2.138 1.661 -2.043 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 17 . 3605 . 1 1 8 ILE CA C 3.108 2.802 -2.328 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 17 . 3606 . 1 1 8 ILE CB C 3.409 2.840 -3.838 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 17 . 3607 . 1 1 8 ILE CD1 C 4.655 5.030 -3.478 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3608 . 1 1 8 ILE CG1 C 4.675 3.654 -4.109 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 17 . 3609 . 1 1 8 ILE CG2 C 2.226 3.421 -4.599 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 17 . 3610 . 1 1 8 ILE H H 5.007 2.013 -1.829 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 17 . 3611 . 1 1 8 ILE HA H 2.641 3.737 -2.050 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 17 . 3612 . 1 1 8 ILE HB H 3.562 1.827 -4.178 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 17 . 3613 . 1 1 8 ILE HD11 H 4.736 4.934 -2.405 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 17 . 3614 . 1 1 8 ILE HD12 H 5.486 5.609 -3.852 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 17 . 3615 . 1 1 8 ILE HD13 H 3.728 5.525 -3.725 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 17 . 3616 . 1 1 8 ILE HG13 H 4.793 3.780 -5.176 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 17 . 3617 . 1 1 8 ILE HG21 H 1.651 4.054 -3.941 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 17 . 3618 . 1 1 8 ILE HG22 H 2.587 4.004 -5.433 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 17 . 3619 . 1 1 8 ILE HG23 H 1.603 2.618 -4.963 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 17 . 3620 . 1 1 8 ILE N N 4.330 2.661 -1.545 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 17 . 3621 . 1 1 8 ILE O O 2.395 0.510 -2.397 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 17 . 3622 . 1 1 9 CYS C C -1.076 0.943 -2.137 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 17 . 3623 . 1 1 9 CYS CA C 0.011 0.992 -1.068 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 17 . 3624 . 1 1 9 CYS CB C -0.613 1.303 0.294 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 17 . 3625 . 1 1 9 CYS H H 0.873 2.923 -1.144 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 17 . 3626 . 1 1 9 CYS HA H 0.497 0.029 -1.020 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 17 . 3627 . 1 1 9 CYS HB3 H -1.456 0.648 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3628 . 1 1 9 CYS N N 1.022 1.989 -1.401 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 17 . 3629 . 1 1 9 CYS O O -1.830 1.899 -2.318 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 17 . 3630 . 1 1 9 CYS SG S 0.527 1.092 1.699 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 17 . 3631 . 1 1 10 HIS C C -3.382 -1.078 -3.361 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 17 . 3632 . 1 1 10 HIS CA C -2.148 -0.357 -3.897 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 17 . 3633 . 1 1 10 HIS CB C -1.552 -1.141 -5.065 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 17 . 3634 . 1 1 10 HIS CD2 C -0.145 -3.065 -4.042 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3635 . 1 1 10 HIS CE1 C -1.416 -4.747 -4.642 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3636 . 1 1 10 HIS CG C -1.198 -2.556 -4.720 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 17 . 3637 . 1 1 10 HIS H H -0.523 -0.908 -2.654 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 17 . 3638 . 1 1 10 HIS HA H -2.440 0.622 -4.242 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 17 . 3639 . 1 1 10 HIS HB3 H -0.652 -0.646 -5.401 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3640 . 1 1 10 HIS HD1 H -2.814 -3.593 -5.588 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3641 . 1 1 10 HIS HD2 H 0.671 -2.503 -3.607 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3642 . 1 1 10 HIS HE1 H -1.801 -5.747 -4.778 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3643 . 1 1 10 HIS N N -1.152 -0.181 -2.844 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 17 . 3644 . 1 1 10 HIS ND1 N -1.976 -3.635 -5.083 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 17 . 3645 . 1 1 10 HIS NE2 N -0.301 -4.429 -4.008 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 17 . 3646 . 1 1 10 HIS O O -3.991 -1.888 -4.059 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 17 . 3647 . 1 1 11 . C C -5.032 -0.960 -0.032 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 17 . 3648 . 1 1 11 . CA C -4.904 -1.395 -1.490 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 17 . 3649 . 1 1 11 . CB C -6.179 -1.034 -2.255 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 17 . 3650 . 1 1 11 . CD1 C -5.962 1.432 -1.841 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3651 . 1 1 11 . CD2 C -8.093 0.412 -1.516 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3652 . 1 1 11 . CE1 C -6.490 2.658 -1.480 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3653 . 1 1 11 . CE2 C -8.626 1.634 -1.154 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 17 . 3654 . 1 1 11 . CG C -6.757 0.297 -1.863 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 17 . 3655 . 1 1 11 . CZ C -7.824 2.759 -1.137 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 17 . 3656 . 1 1 11 . H H -3.218 -0.124 -1.612 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 17 . 3657 . 1 1 11 . HA H -4.768 -2.465 -1.523 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 17 . 3658 . 1 1 11 . HB2 H -6.929 -1.787 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 17 . 3659 . 1 1 11 . HB3 H -5.960 -1.003 -3.311 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3660 . 1 1 11 . HD1 H -4.918 1.355 -2.109 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3661 . 1 1 11 . HD2 H -8.722 -0.467 -1.529 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3662 . 1 1 11 . HE1 H -5.861 3.535 -1.467 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3663 . 1 1 11 . HE2 H -9.670 1.711 -0.886 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 17 . 3664 . 1 1 11 . HZ H -8.238 3.715 -0.853 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 17 . 3665 . 1 1 11 . N N -3.742 -0.776 -2.119 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 17 . 3666 . 1 1 11 . O O -4.598 0.130 0.339 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 17 . 3667 . 1 1 12 MMO C C -5.504 -2.750 3.057 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 17 . 3668 . 1 1 12 MMO CA C -5.812 -1.524 2.202 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 17 . 3669 . 1 1 12 MMO CB C -7.243 -1.052 2.465 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 17 . 3670 . 1 1 12 MMO CD C -8.832 0.892 2.582 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 17 . 3671 . 1 1 12 MMO CG C -7.488 0.395 2.072 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 17 . 3672 . 1 1 12 MMO CN C -6.115 -3.099 0.252 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 17 . 3673 . 1 1 12 MMO CZ C -10.133 0.861 4.668 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 17 . 3674 . 1 1 12 MMO HA H -5.126 -0.733 2.467 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 17 . 3675 . 1 1 12 MMO HC1 H -6.801 -2.911 -0.573 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 17 . 3676 . 1 1 12 MMO HC2 H -6.635 -3.646 1.038 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 17 . 3677 . 1 1 12 MMO HC3 H -5.271 -3.689 -0.104 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 17 . 3678 . 1 1 12 MMO HCB1 H -7.924 -1.675 1.904 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 17 . 3679 . 1 1 12 MMO HCB2 H -7.455 -1.157 3.518 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 17 . 3680 . 1 1 12 MMO HCD1 H -8.905 1.952 2.394 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3681 . 1 1 12 MMO HCD2 H -9.616 0.376 2.049 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3682 . 1 1 12 MMO HCG1 H -6.706 1.011 2.492 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 17 . 3683 . 1 1 12 MMO HCG2 H -7.470 0.474 0.995 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 17 . 3684 . 1 1 12 MMO HH11 H -9.400 0.284 6.461 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 17 . 3685 . 1 1 12 MMO HH12 H -11.059 0.777 6.462 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 17 . 3686 . 1 1 12 MMO HH21 H -11.152 1.488 3.041 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 17 . 3687 . 1 1 12 MMO HH22 H -12.057 1.461 4.516 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 17 . 3688 . 1 1 12 MMO N N -5.628 -1.820 0.786 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 17 . 3689 . 1 1 12 MMO NE N -8.995 0.654 4.014 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 17 . 3690 . 1 1 12 MMO NH1 N -10.204 0.621 5.972 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 17 . 3691 . 1 1 12 MMO NH2 N -11.202 1.307 4.022 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 17 . 3692 . 1 1 12 MMO O O -6.411 -3.468 3.479 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 17 . 3693 . 1 1 13 . C C -1.949 -2.921 2.370 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 17 . 3694 . 1 1 13 . CA C -3.171 -2.111 2.791 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 17 . 3695 . 1 1 13 . CB C -2.775 -1.077 3.846 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 17 . 3696 . 1 1 13 . CD1 C -4.555 -1.249 5.681 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3697 . 1 1 13 . CD2 C -4.606 0.670 4.526 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 17 . 3698 . 1 1 13 . CE2 C -5.627 0.702 5.496 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 17 . 3699 . 1 1 13 . CE3 C -4.445 1.771 3.681 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 17 . 3700 . 1 1 13 . CG C -3.933 -0.587 4.662 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 17 . 3701 . 1 1 13 . CH2 C -6.301 2.856 4.800 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 17 . 3702 . 1 1 13 . CN2 C -3.849 -4.147 4.125 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 17 . 3703 . 1 1 13 . CZ2 C -6.481 1.791 5.640 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 17 . 3704 . 1 1 13 . CZ3 C -5.293 2.851 3.826 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 17 . 3705 . 1 1 13 . HA H -3.564 -1.598 1.926 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 17 . 3706 . 1 1 13 . HB2 H -2.055 -1.516 4.520 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 17 . 3707 . 1 1 13 . HB3 H -2.329 -0.225 3.354 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3708 . 1 1 13 . HD1 H -4.277 -2.234 6.027 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 17 . 3709 . 1 1 13 . HE1 H -6.170 -0.736 6.923 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3710 . 1 1 13 . HE3 H -3.674 1.785 2.924 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 17 . 3711 . 1 1 13 . HH2 H -6.941 3.721 4.877 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 17 . 3712 . 1 1 13 . HN1 H -3.085 -3.857 4.845 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 17 . 3713 . 1 1 13 . HN2 H -3.461 -4.936 3.481 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 17 . 3714 . 1 1 13 . HN3 H -4.730 -4.513 4.656 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 17 . 3715 . 1 1 13 . HZ2 H -7.262 1.810 6.387 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 17 . 3716 . 1 1 13 . HZ3 H -5.184 3.711 3.181 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 17 . 3717 . 1 1 13 . N N -4.220 -2.983 3.308 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 17 . 3718 . 1 1 13 . NE1 N -5.575 -0.479 6.186 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 17 . 3719 . 1 1 13 . O O -1.202 -3.418 3.215 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 17 . 3720 . 1 1 14 ARG C C 0.698 -3.122 0.889 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 17 . 3721 . 1 1 14 ARG CA C -0.620 -3.801 0.532 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 17 . 3722 . 1 1 14 ARG CB C -0.741 -3.939 -0.987 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 17 . 3723 . 1 1 14 ARG CD C -1.774 -6.093 -1.763 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 17 . 3724 . 1 1 14 ARG CG C -2.018 -4.630 -1.436 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 17 . 3725 . 1 1 14 ARG CZ C -1.298 -8.185 -0.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 17 . 3726 . 1 1 14 ARG H H -2.383 -2.632 0.441 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 17 . 3727 . 1 1 14 ARG HA H -0.637 -4.784 0.977 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 17 . 3728 . 1 1 14 ARG HB3 H 0.099 -4.510 -1.351 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 17 . 3729 . 1 1 14 ARG HD3 H -0.842 -6.178 -2.302 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 17 . 3730 . 1 1 14 ARG HE H -1.975 -6.511 0.286 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 17 . 3731 . 1 1 14 ARG HG3 H -2.395 -4.130 -2.316 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 17 . 3732 . 1 1 14 ARG HH11 H -0.950 -8.249 -2.549 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 17 . 3733 . 1 1 14 ARG HH12 H -0.618 -9.716 -1.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 17 . 3734 . 1 1 14 ARG HH21 H -1.542 -8.435 1.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 17 . 3735 . 1 1 14 ARG HH22 H -0.956 -9.821 0.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 17 . 3736 . 1 1 14 ARG N N -1.752 -3.050 1.063 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 17 . 3737 . 1 1 14 ARG NE N -1.704 -6.919 -0.561 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 17 . 3738 . 1 1 14 ARG NH1 N -0.925 -8.764 -1.693 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 17 . 3739 . 1 1 14 ARG NH2 N -1.262 -8.870 0.574 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 17 . 3740 . 1 1 14 ARG O O 1.414 -3.567 1.787 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 18 . 3741 . 1 1 1 CYS C C 3.471 -2.562 0.716 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 18 . 3742 . 1 1 1 CYS CA C 2.023 -2.097 0.582 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 18 . 3743 . 1 1 1 CYS CB C 1.720 -1.028 1.632 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 18 . 3744 . 1 1 1 CYS H1 H 1.430 -4.062 1.104 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 18 . 3745 . 1 1 1 CYS HA H 1.884 -1.675 -0.401 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 18 . 3746 . 1 1 1 CYS HB3 H 2.392 -0.195 1.490 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3747 . 1 1 1 CYS N N 1.102 -3.219 0.722 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 18 . 3748 . 1 1 1 CYS O O 3.794 -3.385 1.574 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 18 . 3749 . 1 1 1 CYS SG S 0.016 -0.383 1.567 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 18 . 3750 . 1 1 2 THR C C 6.467 -1.728 1.057 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 18 . 3751 . 1 1 2 THR CA C 5.751 -2.388 -0.115 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 18 . 3752 . 1 1 2 THR CB C 6.454 -1.984 -1.425 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 18 . 3753 . 1 1 2 THR CG2 C 6.678 -0.480 -1.479 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 18 . 3754 . 1 1 2 THR H H 4.020 -1.377 -0.798 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 18 . 3755 . 1 1 2 THR HA H 5.821 -3.461 -0.010 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 18 . 3756 . 1 1 2 THR HB H 5.825 -2.270 -2.256 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 18 . 3757 . 1 1 2 THR HG1 H 7.596 -3.589 -1.313 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 18 . 3758 . 1 1 2 THR HG21 H 6.776 -0.167 -2.507 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 18 . 3759 . 1 1 2 THR HG22 H 7.578 -0.230 -0.938 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 18 . 3760 . 1 1 2 THR HG23 H 5.835 0.024 -1.029 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 18 . 3761 . 1 1 2 THR N N 4.338 -2.029 -0.137 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 18 . 3762 . 1 1 2 THR O O 5.832 -1.252 1.998 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 18 . 3763 . 1 1 2 THR OG1 O 7.711 -2.661 -1.535 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 18 . 3764 . 1 1 3 ALA C C 9.434 0.057 1.512 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 18 . 3765 . 1 1 3 ALA CA C 8.598 -1.099 2.051 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 18 . 3766 . 1 1 3 ALA CB C 9.496 -2.145 2.695 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 18 . 3767 . 1 1 3 ALA H H 8.244 -2.099 0.220 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 18 . 3768 . 1 1 3 ALA HA H 7.926 -0.721 2.807 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 18 . 3769 . 1 1 3 ALA HB1 H 10.023 -1.702 3.528 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 18 . 3770 . 1 1 3 ALA HB2 H 8.893 -2.968 3.047 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 18 . 3771 . 1 1 3 ALA HB3 H 10.210 -2.504 1.968 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3772 . 1 1 3 ALA N N 7.795 -1.703 0.995 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 18 . 3773 . 1 1 3 ALA O O 9.737 1.006 2.235 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 18 . 3774 . 1 1 4 SER C C 9.993 2.389 -0.169 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 18 . 3775 . 1 1 4 SER CA C 10.605 1.009 -0.397 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 18 . 3776 . 1 1 4 SER CB C 10.734 0.738 -1.898 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 18 . 3777 . 1 1 4 SER H H 9.528 -0.808 -0.288 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 18 . 3778 . 1 1 4 SER HA H 11.587 0.987 0.049 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 18 . 3779 . 1 1 4 SER HB3 H 11.027 1.649 -2.402 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3780 . 1 1 4 SER HG H 11.600 -0.979 -1.530 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 18 . 3781 . 1 1 4 SER N N 9.802 -0.028 0.237 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 18 . 3782 . 1 1 4 SER O O 8.793 2.513 0.082 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 18 . 3783 . 1 1 4 SER OG O 11.708 -0.257 -2.155 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 18 . 3784 . 1 1 5 ILE C C 10.316 5.548 -1.385 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 18 . 3785 . 1 1 5 ILE CA C 10.364 4.790 -0.063 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 18 . 3786 . 1 1 5 ILE CB C 11.272 5.553 0.920 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 18 . 3787 . 1 1 5 ILE CD1 C 10.027 4.606 2.928 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3788 . 1 1 5 ILE CG1 C 11.366 4.801 2.250 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 18 . 3789 . 1 1 5 ILE CG2 C 10.746 6.964 1.140 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 18 . 3790 . 1 1 5 ILE H H 11.768 3.258 -0.463 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 18 . 3791 . 1 1 5 ILE HA H 9.368 4.751 0.354 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 18 . 3792 . 1 1 5 ILE HB H 12.257 5.625 0.486 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 18 . 3793 . 1 1 5 ILE HD11 H 9.813 3.550 3.003 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 18 . 3794 . 1 1 5 ILE HD12 H 10.057 5.038 3.916 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 18 . 3795 . 1 1 5 ILE HD13 H 9.255 5.088 2.347 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 18 . 3796 . 1 1 5 ILE HG13 H 12.002 5.355 2.923 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 18 . 3797 . 1 1 5 ILE HG21 H 10.605 7.447 0.184 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 18 . 3798 . 1 1 5 ILE HG22 H 9.803 6.920 1.662 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 18 . 3799 . 1 1 5 ILE HG23 H 11.458 7.526 1.724 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 18 . 3800 . 1 1 5 ILE N N 10.824 3.421 -0.259 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 18 . 3801 . 1 1 5 ILE O O 11.256 5.520 -2.181 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 18 . 3802 . 1 1 6 PRO C C 7.339 4.951 -0.602 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 18 . 3803 . 1 1 6 PRO CA C 8.070 6.286 -0.689 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 18 . 3804 . 1 1 6 PRO CB C 7.154 7.361 -1.279 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 18 . 3805 . 1 1 6 PRO CD C 8.941 7.047 -2.836 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 18 . 3806 . 1 1 6 PRO CG C 7.477 7.377 -2.733 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 18 . 3807 . 1 1 6 PRO HA H 8.389 6.585 0.299 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 18 . 3808 . 1 1 6 PRO HB3 H 7.367 8.314 -0.817 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3809 . 1 1 6 PRO HD3 H 9.533 7.950 -2.831 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 18 . 3810 . 1 1 6 PRO HG3 H 7.285 8.358 -3.141 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 18 . 3811 . 1 1 6 PRO N N 9.195 6.245 -1.627 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 18 . 3812 . 1 1 6 PRO O O 7.465 4.089 -1.474 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 18 . 3813 . 1 1 7 PRO C C 4.635 3.393 -0.293 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 18 . 3814 . 1 1 7 PRO CA C 5.786 3.545 0.695 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 18 . 3815 . 1 1 7 PRO CB C 5.250 3.717 2.119 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 18 . 3816 . 1 1 7 PRO CD C 6.357 5.757 1.549 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 18 . 3817 . 1 1 7 PRO CG C 5.205 5.190 2.331 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 18 . 3818 . 1 1 7 PRO HA H 6.416 2.669 0.649 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 18 . 3819 . 1 1 7 PRO HB3 H 5.917 3.238 2.819 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3820 . 1 1 7 PRO HD3 H 7.238 5.828 2.171 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 18 . 3821 . 1 1 7 PRO HG3 H 5.320 5.414 3.381 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 18 . 3822 . 1 1 7 PRO N N 6.554 4.773 0.471 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 18 . 3823 . 1 1 7 PRO O O 3.655 4.138 -0.238 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 18 . 3824 . 1 1 8 ILE C C 2.542 1.431 -1.586 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 18 . 3825 . 1 1 8 ILE CA C 3.726 2.175 -2.193 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 18 . 3826 . 1 1 8 ILE CB C 4.277 1.361 -3.379 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 18 . 3827 . 1 1 8 ILE CD1 C 6.134 2.332 -4.822 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3828 . 1 1 8 ILE CG1 C 4.649 2.292 -4.534 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 18 . 3829 . 1 1 8 ILE CG2 C 3.254 0.328 -3.832 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 18 . 3830 . 1 1 8 ILE H H 5.561 1.863 -1.186 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 18 . 3831 . 1 1 8 ILE HA H 3.385 3.131 -2.565 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 18 . 3832 . 1 1 8 ILE HB H 5.161 0.837 -3.048 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 18 . 3833 . 1 1 8 ILE HD11 H 6.491 3.347 -4.725 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 18 . 3834 . 1 1 8 ILE HD12 H 6.655 1.697 -4.123 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 18 . 3835 . 1 1 8 ILE HD13 H 6.315 1.983 -5.829 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 18 . 3836 . 1 1 8 ILE HG13 H 4.328 3.295 -4.297 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 18 . 3837 . 1 1 8 ILE HG21 H 3.577 -0.114 -4.763 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 18 . 3838 . 1 1 8 ILE HG22 H 3.168 -0.443 -3.081 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 18 . 3839 . 1 1 8 ILE HG23 H 2.297 0.806 -3.971 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 18 . 3840 . 1 1 8 ILE N N 4.758 2.424 -1.194 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 18 . 3841 . 1 1 8 ILE O O 2.716 0.520 -0.774 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 18 . 3842 . 1 1 9 CYS C C -0.917 1.052 -2.590 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 18 . 3843 . 1 1 9 CYS CA C 0.122 1.192 -1.483 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 18 . 3844 . 1 1 9 CYS CB C -0.458 2.006 -0.325 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 18 . 3845 . 1 1 9 CYS H H 1.261 2.553 -2.634 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 18 . 3846 . 1 1 9 CYS HA H 0.382 0.208 -1.124 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 18 . 3847 . 1 1 9 CYS HB3 H -1.508 1.771 -0.219 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3848 . 1 1 9 CYS N N 1.337 1.822 -1.984 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 18 . 3849 . 1 1 9 CYS O O -1.313 2.037 -3.213 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 18 . 3850 . 1 1 9 CYS SG S 0.345 1.694 1.280 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 18 . 3851 . 1 1 10 HIS C C -3.584 -1.119 -3.269 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 18 . 3852 . 1 1 10 HIS CA C -2.348 -0.450 -3.865 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 18 . 3853 . 1 1 10 HIS CB C -1.751 -1.337 -4.958 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 18 . 3854 . 1 1 10 HIS CD2 C -2.067 -3.816 -4.262 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3855 . 1 1 10 HIS CE1 C 0.015 -4.271 -3.745 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3856 . 1 1 10 HIS CG C -1.340 -2.693 -4.471 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 18 . 3857 . 1 1 10 HIS H H -1.001 -0.926 -2.302 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 18 . 3858 . 1 1 10 HIS HA H -2.641 0.493 -4.299 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 18 . 3859 . 1 1 10 HIS HB3 H -0.877 -0.852 -5.368 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3860 . 1 1 10 HIS HD1 H 0.727 -2.404 -4.183 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3861 . 1 1 10 HIS HD2 H -3.130 -3.932 -4.420 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3862 . 1 1 10 HIS HE1 H 0.903 -4.794 -3.424 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3863 . 1 1 10 HIS N N -1.355 -0.181 -2.832 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 18 . 3864 . 1 1 10 HIS ND1 N -0.041 -3.010 -4.137 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 18 . 3865 . 1 1 10 HIS NE2 N -1.202 -4.782 -3.810 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 18 . 3866 . 1 1 10 HIS O O -4.241 -1.929 -3.925 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 18 . 3867 . 1 1 11 . C C -5.096 -0.889 0.117 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 18 . 3868 . 1 1 11 . CA C -5.049 -1.345 -1.339 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 18 . 3869 . 1 1 11 . CB C -6.341 -0.939 -2.052 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 18 . 3870 . 1 1 11 . CD1 C -5.939 1.537 -2.055 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3871 . 1 1 11 . CD2 C -8.007 0.725 -1.190 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3872 . 1 1 11 . CE1 C -6.333 2.835 -1.788 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3873 . 1 1 11 . CE2 C -8.406 2.021 -0.920 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 18 . 3874 . 1 1 11 . CG C -6.771 0.470 -1.761 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 18 . 3875 . 1 1 11 . CZ C -7.567 3.077 -1.218 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 18 . 3876 . 1 1 11 . H H -3.330 -0.126 -1.552 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 18 . 3877 . 1 1 11 . HA H -4.955 -2.419 -1.366 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 18 . 3878 . 1 1 11 . HB2 H -7.136 -1.600 -1.744 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 18 . 3879 . 1 1 11 . HB3 H -6.196 -1.030 -3.119 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3880 . 1 1 11 . HD1 H -4.973 1.350 -2.501 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3881 . 1 1 11 . HD2 H -8.665 -0.100 -0.955 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3882 . 1 1 11 . HE1 H -5.676 3.660 -2.023 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3883 . 1 1 11 . HE2 H -9.372 2.207 -0.474 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 18 . 3884 . 1 1 11 . HZ H -7.878 4.090 -1.010 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 18 . 3885 . 1 1 11 . N N -3.893 -0.776 -2.023 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 18 . 3886 . 1 1 11 . O O -4.632 0.199 0.455 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 18 . 3887 . 1 1 12 MMO C C -5.428 -2.639 3.249 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 18 . 3888 . 1 1 12 MMO CA C -5.768 -1.420 2.395 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 18 . 3889 . 1 1 12 MMO CB C -7.178 -0.929 2.727 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 18 . 3890 . 1 1 12 MMO CD C -8.568 1.108 3.214 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 18 . 3891 . 1 1 12 MMO CG C -7.396 0.545 2.425 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 18 . 3892 . 1 1 12 MMO CN C -6.187 -3.013 0.482 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 18 . 3893 . 1 1 12 MMO CZ C -11.015 1.270 3.023 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 18 . 3894 . 1 1 12 MMO HA H -5.061 -0.633 2.616 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 18 . 3895 . 1 1 12 MMO HC1 H -5.368 -3.623 0.102 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 18 . 3896 . 1 1 12 MMO HC2 H -6.903 -2.825 -0.321 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 18 . 3897 . 1 1 12 MMO HC3 H -6.687 -3.539 1.295 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 18 . 3898 . 1 1 12 MMO HCB1 H -7.890 -1.501 2.150 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 18 . 3899 . 1 1 12 MMO HCB2 H -7.365 -1.091 3.777 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 18 . 3900 . 1 1 12 MMO HCD1 H -8.631 0.588 4.160 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3901 . 1 1 12 MMO HCD2 H -8.395 2.157 3.392 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3902 . 1 1 12 MMO HCG1 H -6.504 1.092 2.687 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 18 . 3903 . 1 1 12 MMO HCG2 H -7.595 0.661 1.369 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 18 . 3904 . 1 1 12 MMO HH11 H -12.069 0.724 1.387 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 18 . 3905 . 1 1 12 MMO HH12 H -13.010 1.338 2.705 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 18 . 3906 . 1 1 12 MMO HH21 H -10.256 1.897 4.787 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 18 . 3907 . 1 1 12 MMO HH22 H -11.979 2.007 4.638 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 18 . 3908 . 1 1 12 MMO N N -5.659 -1.734 0.976 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 18 . 3909 . 1 1 12 MMO NE N -9.835 0.948 2.504 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 18 . 3910 . 1 1 12 MMO NH1 N -12.122 1.097 2.312 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 18 . 3911 . 1 1 12 MMO NH2 N -11.090 1.764 4.250 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 18 . 3912 . 1 1 12 MMO O O -6.319 -3.323 3.753 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 18 . 3913 . 1 1 13 . C C -1.953 -2.926 2.278 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 18 . 3914 . 1 1 13 . CA C -3.107 -2.073 2.793 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 18 . 3915 . 1 1 13 . CB C -2.588 -1.045 3.800 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 18 . 3916 . 1 1 13 . CD1 C -4.147 -1.197 5.828 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3917 . 1 1 13 . CD2 C -4.331 0.709 4.666 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 18 . 3918 . 1 1 13 . CE2 C -5.236 0.751 5.746 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 18 . 3919 . 1 1 13 . CE3 C -4.269 1.801 3.797 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 18 . 3920 . 1 1 13 . CG C -3.645 -0.545 4.738 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 18 . 3921 . 1 1 13 . CH2 C -5.987 2.899 5.108 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 18 . 3922 . 1 1 13 . CN2 C -3.735 -4.064 4.214 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 18 . 3923 . 1 1 13 . CZ2 C -6.068 1.843 5.975 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 18 . 3924 . 1 1 13 . CZ3 C -5.097 2.883 4.026 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 18 . 3925 . 1 1 13 . HA H -3.554 -1.553 1.959 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 18 . 3926 . 1 1 13 . HB2 H -1.803 -1.492 4.390 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 18 . 3927 . 1 1 13 . HB3 H -2.190 -0.195 3.262 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3928 . 1 1 13 . HD1 H -3.830 -2.177 6.150 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 18 . 3929 . 1 1 13 . HE1 H -5.609 -0.671 7.241 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3930 . 1 1 13 . HE3 H -3.590 1.808 2.957 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 18 . 3931 . 1 1 13 . HH2 H -6.614 3.765 5.249 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 18 . 3932 . 1 1 13 . HN1 H -3.653 -4.943 3.575 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 18 . 3933 . 1 1 13 . HN2 H -4.483 -4.246 4.986 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 18 . 3934 . 1 1 13 . HN3 H -2.772 -3.863 4.682 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 18 . 3935 . 1 1 13 . HZ2 H -6.759 1.870 6.806 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 18 . 3936 . 1 1 13 . HZ3 H -5.064 3.736 3.364 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 18 . 3937 . 1 1 13 . N N -4.136 -2.904 3.405 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 18 . 3938 . 1 1 13 . NE1 N -5.104 -0.422 6.438 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 18 . 3939 . 1 1 13 . O O -0.938 -3.087 2.956 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 18 . 3940 . 1 1 14 ARG C C 0.057 -3.457 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 18 . 3941 . 1 1 14 ARG CA C -1.085 -4.308 0.473 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 18 . 3942 . 1 1 14 ARG CB C -1.684 -5.159 -0.649 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 18 . 3943 . 1 1 14 ARG CD C -1.308 -7.643 -0.595 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 18 . 3944 . 1 1 14 ARG CG C -2.219 -6.499 -0.176 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 18 . 3945 . 1 1 14 ARG CZ C -0.113 -8.267 1.460 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 18 . 3946 . 1 1 14 ARG H H -2.946 -3.305 0.585 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 18 . 3947 . 1 1 14 ARG HA H -0.697 -4.962 1.239 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 18 . 3948 . 1 1 14 ARG HB3 H -0.921 -5.342 -1.391 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 18 . 3949 . 1 1 14 ARG HD3 H -0.384 -7.229 -0.971 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 18 . 3950 . 1 1 14 ARG HE H -1.500 -9.386 0.563 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 18 . 3951 . 1 1 14 ARG HG3 H -3.198 -6.656 -0.604 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 18 . 3952 . 1 1 14 ARG HH11 H 0.405 -6.475 0.686 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 18 . 3953 . 1 1 14 ARG HH12 H 1.241 -6.928 2.135 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 18 . 3954 . 1 1 14 ARG HH21 H -0.407 -9.994 2.472 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 18 . 3955 . 1 1 14 ARG HH22 H 0.779 -8.929 3.149 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 18 . 3956 . 1 1 14 ARG N N -2.114 -3.471 1.077 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 18 . 3957 . 1 1 14 ARG NE N -1.008 -8.540 0.518 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 18 . 3958 . 1 1 14 ARG NH1 N 0.568 -7.130 1.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 18 . 3959 . 1 1 14 ARG NH2 N 0.104 -9.136 2.440 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 18 . 3960 . 1 1 14 ARG O O -0.027 -2.924 -1.179 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 19 . 3961 . 1 1 1 CYS C C 3.515 -2.926 -1.021 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 19 . 3962 . 1 1 1 CYS CA C 2.677 -1.870 -0.304 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 19 . 3963 . 1 1 1 CYS CB C 3.534 -1.142 0.734 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 19 . 3964 . 1 1 1 CYS H1 H 1.311 -2.250 1.267 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 19 . 3965 . 1 1 1 CYS HA H 2.324 -1.155 -1.030 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 19 . 3966 . 1 1 1 CYS HB3 H 4.499 -0.918 0.301 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 3967 . 1 1 1 CYS N N 1.515 -2.475 0.335 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 19 . 3968 . 1 1 1 CYS O O 3.423 -4.117 -0.720 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 19 . 3969 . 1 1 1 CYS SG S 2.815 0.422 1.326 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 19 . 3970 . 1 1 2 THR C C 6.425 -2.666 -3.248 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 19 . 3971 . 1 1 2 THR CA C 5.184 -3.385 -2.730 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 19 . 3972 . 1 1 2 THR CB C 4.429 -4.003 -3.921 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 19 . 3973 . 1 1 2 THR CG2 C 4.094 -2.942 -4.958 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 19 . 3974 . 1 1 2 THR H H 4.359 -1.521 -2.163 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 19 . 3975 . 1 1 2 THR HA H 5.493 -4.185 -2.072 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 19 . 3976 . 1 1 2 THR HB H 3.507 -4.434 -3.558 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 19 . 3977 . 1 1 2 THR HG1 H 4.897 -5.893 -4.237 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 19 . 3978 . 1 1 2 THR HG21 H 4.566 -3.195 -5.897 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 19 . 3979 . 1 1 2 THR HG22 H 4.455 -1.982 -4.621 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 19 . 3980 . 1 1 2 THR HG23 H 3.024 -2.898 -5.096 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 19 . 3981 . 1 1 2 THR N N 4.333 -2.481 -1.970 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 19 . 3982 . 1 1 2 THR O O 7.016 -3.071 -4.249 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 19 . 3983 . 1 1 2 THR OG1 O 5.219 -5.034 -4.523 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 19 . 3984 . 1 1 3 ALA C C 8.540 -0.033 -1.771 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 19 . 3985 . 1 1 3 ALA CA C 7.987 -0.825 -2.951 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 19 . 3986 . 1 1 3 ALA CB C 7.644 0.111 -4.101 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 19 . 3987 . 1 1 3 ALA H H 6.303 -1.325 -1.772 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 19 . 3988 . 1 1 3 ALA HA H 8.743 -1.515 -3.294 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 19 . 3989 . 1 1 3 ALA HB1 H 6.802 -0.289 -4.649 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 19 . 3990 . 1 1 3 ALA HB2 H 7.389 1.084 -3.711 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 19 . 3991 . 1 1 3 ALA HB3 H 8.494 0.197 -4.760 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 3992 . 1 1 3 ALA N N 6.816 -1.598 -2.561 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 19 . 3993 . 1 1 3 ALA O O 7.800 0.345 -0.863 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 19 . 3994 . 1 1 4 SER C C 10.027 2.410 -0.700 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 19 . 3995 . 1 1 4 SER CA C 10.499 0.960 -0.719 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 19 . 3996 . 1 1 4 SER CB C 12.018 0.908 -0.887 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 19 . 3997 . 1 1 4 SER H H 10.383 -0.110 -2.543 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 19 . 3998 . 1 1 4 SER HA H 10.232 0.494 0.217 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 19 . 3999 . 1 1 4 SER HB3 H 12.330 1.693 -1.561 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4000 . 1 1 4 SER HG H 12.519 0.318 0.914 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 19 . 4001 . 1 1 4 SER N N 9.845 0.217 -1.790 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 19 . 4002 . 1 1 4 SER O O 9.303 2.851 -1.593 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 19 . 4003 . 1 1 4 SER OG O 12.675 1.084 0.357 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 19 . 4004 . 1 1 5 ILE C C 10.372 5.327 -0.811 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 19 . 4005 . 1 1 5 ILE CA C 10.064 4.547 0.462 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 19 . 4006 . 1 1 5 ILE CB C 10.788 5.214 1.647 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 19 . 4007 . 1 1 5 ILE CD1 C 9.294 3.924 3.255 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4008 . 1 1 5 ILE CG1 C 10.706 4.323 2.888 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 19 . 4009 . 1 1 5 ILE CG2 C 10.190 6.583 1.931 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 19 . 4010 . 1 1 5 ILE H H 11.017 2.738 1.007 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 19 . 4011 . 1 1 5 ILE HA H 8.999 4.589 0.649 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 19 . 4012 . 1 1 5 ILE HB H 11.823 5.349 1.377 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 19 . 4013 . 1 1 5 ILE HD11 H 8.823 3.449 2.407 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 19 . 4014 . 1 1 5 ILE HD12 H 9.317 3.237 4.085 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 19 . 4015 . 1 1 5 ILE HD13 H 8.731 4.804 3.532 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 19 . 4016 . 1 1 5 ILE HG13 H 11.131 4.852 3.731 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 19 . 4017 . 1 1 5 ILE HG21 H 10.813 7.108 2.640 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 19 . 4018 . 1 1 5 ILE HG22 H 10.136 7.149 1.013 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 19 . 4019 . 1 1 5 ILE HG23 H 9.198 6.466 2.341 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 19 . 4020 . 1 1 5 ILE N N 10.441 3.147 0.326 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 19 . 4021 . 1 1 5 ILE O O 11.471 5.253 -1.364 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 19 . 4022 . 1 1 6 PRO C C 7.265 4.905 -0.769 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 19 . 4023 . 1 1 6 PRO CA C 8.071 6.192 -0.640 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 19 . 4024 . 1 1 6 PRO CB C 7.384 7.332 -1.398 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 19 . 4025 . 1 1 6 PRO CD C 9.467 6.930 -2.500 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 19 . 4026 . 1 1 6 PRO CG C 8.041 7.349 -2.734 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 19 . 4027 . 1 1 6 PRO HA H 8.164 6.456 0.404 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 19 . 4028 . 1 1 6 PRO HB3 H 7.535 8.261 -0.872 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4029 . 1 1 6 PRO HD3 H 10.092 7.795 -2.328 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 19 . 4030 . 1 1 6 PRO HG3 H 8.008 8.347 -3.146 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 19 . 4031 . 1 1 6 PRO N N 9.382 6.096 -1.289 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 19 . 4032 . 1 1 6 PRO O O 7.281 4.234 -1.802 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 19 . 4033 . 1 1 7 PRO C C 4.496 3.447 -0.572 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 19 . 4034 . 1 1 7 PRO CA C 5.717 3.337 0.336 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 19 . 4035 . 1 1 7 PRO CB C 5.286 3.241 1.801 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 19 . 4036 . 1 1 7 PRO CD C 6.479 5.299 1.569 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 19 . 4037 . 1 1 7 PRO CG C 5.346 4.641 2.308 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 19 . 4038 . 1 1 7 PRO HA H 6.287 2.460 0.066 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 19 . 4039 . 1 1 7 PRO HB3 H 5.966 2.597 2.337 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4040 . 1 1 7 PRO HD3 H 7.400 5.200 2.124 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 19 . 4041 . 1 1 7 PRO HG3 H 5.543 4.637 3.370 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 19 . 4042 . 1 1 7 PRO N N 6.544 4.548 0.305 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 19 . 4043 . 1 1 7 PRO O O 3.587 4.236 -0.315 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 19 . 4044 . 1 1 8 ILE C C 2.430 1.481 -2.328 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 19 . 4045 . 1 1 8 ILE CA C 3.372 2.654 -2.579 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 19 . 4046 . 1 1 8 ILE CB C 3.870 2.596 -4.035 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 19 . 4047 . 1 1 8 ILE CD1 C 3.093 2.392 -6.450 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4048 . 1 1 8 ILE CG1 C 2.685 2.550 -5.002 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 19 . 4049 . 1 1 8 ILE CG2 C 4.773 1.388 -4.237 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 19 . 4050 . 1 1 8 ILE H H 5.236 2.040 -1.786 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 19 . 4051 . 1 1 8 ILE HA H 2.823 3.576 -2.443 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 19 . 4052 . 1 1 8 ILE HB H 4.450 3.486 -4.229 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 19 . 4053 . 1 1 8 ILE HD11 H 3.777 3.183 -6.720 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 19 . 4054 . 1 1 8 ILE HD12 H 3.574 1.435 -6.587 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 19 . 4055 . 1 1 8 ILE HD13 H 2.216 2.446 -7.078 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 19 . 4056 . 1 1 8 ILE HG13 H 2.123 3.469 -4.913 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 19 . 4057 . 1 1 8 ILE HG21 H 5.711 1.709 -4.666 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 19 . 4058 . 1 1 8 ILE HG22 H 4.957 0.913 -3.286 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 19 . 4059 . 1 1 8 ILE HG23 H 4.294 0.688 -4.904 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 19 . 4060 . 1 1 8 ILE N N 4.481 2.648 -1.634 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 19 . 4061 . 1 1 8 ILE O O 2.785 0.324 -2.563 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 19 . 4062 . 1 1 9 CYS C C -0.894 0.794 -2.598 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 19 . 4063 . 1 1 9 CYS CA C 0.234 0.756 -1.571 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 19 . 4064 . 1 1 9 CYS CB C -0.337 0.939 -0.164 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 19 . 4065 . 1 1 9 CYS H H 1.002 2.724 -1.685 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 19 . 4066 . 1 1 9 CYS HA H 0.723 -0.204 -1.630 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 19 . 4067 . 1 1 9 CYS HB3 H -1.183 0.280 -0.038 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4068 . 1 1 9 CYS N N 1.228 1.785 -1.852 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 19 . 4069 . 1 1 9 CYS O O -1.255 1.860 -3.102 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 19 . 4070 . 1 1 9 CYS SG S 0.850 0.581 1.172 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 19 . 4071 . 1 1 10 HIS C C -3.780 -1.082 -3.228 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 19 . 4072 . 1 1 10 HIS CA C -2.536 -0.475 -3.872 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 19 . 4073 . 1 1 10 HIS CB C -2.105 -1.319 -5.072 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 19 . 4074 . 1 1 10 HIS CD2 C -2.106 -3.713 -4.073 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4075 . 1 1 10 HIS CE1 C -0.022 -4.241 -4.503 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4076 . 1 1 10 HIS CG C -1.538 -2.652 -4.693 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 19 . 4077 . 1 1 10 HIS H H -1.117 -1.189 -2.471 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 19 . 4078 . 1 1 10 HIS HA H -2.771 0.522 -4.210 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 19 . 4079 . 1 1 10 HIS HB3 H -1.350 -0.782 -5.628 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4080 . 1 1 10 HIS HD1 H 0.441 -2.456 -5.391 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4081 . 1 1 10 HIS HD2 H -3.128 -3.782 -3.725 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4082 . 1 1 10 HIS HE1 H 0.908 -4.786 -4.566 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4083 . 1 1 10 HIS N N -1.448 -0.374 -2.905 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 19 . 4084 . 1 1 10 HIS ND1 N -0.231 -3.014 -4.949 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 19 . 4085 . 1 1 10 HIS NE2 N -1.144 -4.687 -3.967 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 19 . 4086 . 1 1 10 HIS O O -4.538 -1.803 -3.878 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 19 . 4087 . 1 1 11 . C C -5.070 -0.901 0.252 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 19 . 4088 . 1 1 11 . CA C -5.134 -1.303 -1.218 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 19 . 4089 . 1 1 11 . CB C -6.434 -0.789 -1.843 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 19 . 4090 . 1 1 11 . CD1 C -5.884 1.629 -1.463 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4091 . 1 1 11 . CD2 C -8.075 0.866 -0.916 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4092 . 1 1 11 . CE1 C -6.224 2.906 -1.056 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4093 . 1 1 11 . CE2 C -8.421 2.140 -0.507 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 19 . 4094 . 1 1 11 . CG C -6.806 0.596 -1.399 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 19 . 4095 . 1 1 11 . CZ C -7.493 3.160 -0.575 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 19 . 4096 . 1 1 11 . H H -3.342 -0.206 -1.485 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 19 . 4097 . 1 1 11 . HA H -5.113 -2.380 -1.287 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 19 . 4098 . 1 1 11 . HB2 H -7.240 -1.453 -1.571 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 19 . 4099 . 1 1 11 . HB3 H -6.327 -0.778 -2.917 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4100 . 1 1 11 . HD1 H -4.890 1.430 -1.837 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4101 . 1 1 11 . HD2 H -8.803 0.067 -0.862 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4102 . 1 1 11 . HE1 H -5.496 3.702 -1.111 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4103 . 1 1 11 . HE2 H -9.415 2.335 -0.132 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 19 . 4104 . 1 1 11 . HZ H -7.762 4.158 -0.257 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 19 . 4105 . 1 1 11 . N N -3.982 -0.787 -1.949 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 19 . 4106 . 1 1 11 . O O -4.514 0.141 0.598 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 19 . 4107 . 1 1 12 MMO C C -5.261 -2.718 3.334 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 19 . 4108 . 1 1 12 MMO CA C -5.649 -1.470 2.546 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 19 . 4109 . 1 1 12 MMO CB C -7.031 -0.984 2.989 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 19 . 4110 . 1 1 12 MMO CD C -8.824 0.761 2.761 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 19 . 4111 . 1 1 12 MMO CG C -7.363 0.420 2.512 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 19 . 4112 . 1 1 12 MMO CN C -6.282 -2.960 0.608 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 19 . 4113 . 1 1 12 MMO CZ C -10.348 2.630 2.276 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 19 . 4114 . 1 1 12 MMO HA H -4.924 -0.694 2.744 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 19 . 4115 . 1 1 12 MMO HC1 H -6.767 -3.483 1.431 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 19 . 4116 . 1 1 12 MMO HC2 H -5.527 -3.607 0.162 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 19 . 4117 . 1 1 12 MMO HC3 H -7.024 -2.697 -0.144 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 19 . 4118 . 1 1 12 MMO HCB1 H -7.779 -1.659 2.600 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 19 . 4119 . 1 1 12 MMO HCB2 H -7.073 -0.994 4.068 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 19 . 4120 . 1 1 12 MMO HCD1 H -9.439 0.131 2.134 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4121 . 1 1 12 MMO HCD2 H -9.053 0.569 3.798 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4122 . 1 1 12 MMO HCG1 H -6.745 1.128 3.044 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 19 . 4123 . 1 1 12 MMO HCG2 H -7.162 0.488 1.453 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 19 . 4124 . 1 1 12 MMO HH11 H -9.751 4.532 1.943 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 19 . 4125 . 1 1 12 MMO HH12 H -11.460 4.267 1.867 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 19 . 4126 . 1 1 12 MMO HH21 H -11.254 0.846 2.565 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 19 . 4127 . 1 1 12 MMO HH22 H -12.316 2.172 2.222 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 19 . 4128 . 1 1 12 MMO N N -5.642 -1.737 1.114 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 19 . 4129 . 1 1 12 MMO NE N -9.119 2.160 2.461 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 19 . 4130 . 1 1 12 MMO NH1 N -10.535 3.915 2.006 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 19 . 4131 . 1 1 12 MMO NH2 N -11.391 1.815 2.361 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 19 . 4132 . 1 1 12 MMO O O -6.123 -3.444 3.829 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 19 . 4133 . 1 1 13 . C C -1.770 -2.873 2.332 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 19 . 4134 . 1 1 13 . CA C -2.965 -2.077 2.846 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 19 . 4135 . 1 1 13 . CB C -2.499 -1.035 3.864 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 19 . 4136 . 1 1 13 . CD1 C -3.977 -1.422 5.922 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4137 . 1 1 13 . CD2 C -4.319 0.541 4.898 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 19 . 4138 . 1 1 13 . CE2 C -5.186 0.454 6.005 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 19 . 4139 . 1 1 13 . CE3 C -4.353 1.690 4.105 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 19 . 4140 . 1 1 13 . CG C -3.553 -0.668 4.864 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 19 . 4141 . 1 1 13 . CH2 C -6.091 2.585 5.539 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 19 . 4142 . 1 1 13 . CN2 C -3.512 -4.145 4.189 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 19 . 4143 . 1 1 13 . CZ2 C -6.078 1.471 6.333 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 19 . 4144 . 1 1 13 . CZ3 C -5.239 2.700 4.431 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 19 . 4145 . 1 1 13 . HA H -3.430 -1.570 2.013 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 19 . 4146 . 1 1 13 . HB2 H -1.649 -1.423 4.403 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 19 . 4147 . 1 1 13 . HB3 H -2.209 -0.136 3.341 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4148 . 1 1 13 . HD1 H -3.589 -2.399 6.166 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 19 . 4149 . 1 1 13 . HE1 H -5.421 -1.086 7.410 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4150 . 1 1 13 . HE3 H -3.705 1.797 3.247 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 19 . 4151 . 1 1 13 . HH2 H -6.766 3.398 5.757 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 19 . 4152 . 1 1 13 . HN1 H -4.314 -4.490 4.842 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 19 . 4153 . 1 1 13 . HN2 H -2.639 -3.890 4.790 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 19 . 4154 . 1 1 13 . HN3 H -3.249 -4.937 3.486 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 19 . 4155 . 1 1 13 . HZ2 H -6.741 1.398 7.184 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 19 . 4156 . 1 1 13 . HZ3 H -5.280 3.596 3.830 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 19 . 4157 . 1 1 13 . N N -3.960 -2.959 3.445 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 19 . 4158 . 1 1 13 . NE1 N -4.959 -0.754 6.611 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 19 . 4159 . 1 1 13 . O O -0.951 -3.355 3.115 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 19 . 4160 . 1 1 14 ARG C C 0.383 -2.798 -0.309 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 19 . 4161 . 1 1 14 ARG CA C -0.582 -3.746 0.396 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 19 . 4162 . 1 1 14 ARG CB C -1.128 -4.769 -0.602 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 19 . 4163 . 1 1 14 ARG CD C -3.118 -5.923 0.412 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 19 . 4164 . 1 1 14 ARG CG C -1.645 -6.041 0.051 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 19 . 4165 . 1 1 14 ARG CZ C -4.912 -7.344 1.310 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 19 . 4166 . 1 1 14 ARG H H -2.362 -2.600 0.442 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 19 . 4167 . 1 1 14 ARG HA H -0.051 -4.267 1.178 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 19 . 4168 . 1 1 14 ARG HB3 H -0.341 -5.039 -1.290 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 19 . 4169 . 1 1 14 ARG HD3 H -3.681 -5.727 -0.488 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 19 . 4170 . 1 1 14 ARG HE H -2.981 -7.842 1.256 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 19 . 4171 . 1 1 14 ARG HG3 H -1.077 -6.229 0.949 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 19 . 4172 . 1 1 14 ARG HH11 H -5.522 -5.557 0.592 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 19 . 4173 . 1 1 14 ARG HH12 H -6.776 -6.568 1.228 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 19 . 4174 . 1 1 14 ARG HH21 H -4.624 -9.184 2.097 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 19 . 4175 . 1 1 14 ARG HH22 H -6.265 -8.630 2.085 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 19 . 4176 . 1 1 14 ARG N N -1.676 -3.008 1.013 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 19 . 4177 . 1 1 14 ARG NE N -3.629 -7.141 1.034 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 19 . 4178 . 1 1 14 ARG NH1 N -5.810 -6.413 1.020 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 19 . 4179 . 1 1 14 ARG NH2 N -5.299 -8.479 1.878 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 19 . 4180 . 1 1 14 ARG O O 0.170 -2.421 -1.461 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 20 . 4181 . 1 1 1 CYS C C 2.741 -2.420 0.454 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 20 . 4182 . 1 1 1 CYS CA C 1.341 -1.867 0.702 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 20 . 4183 . 1 1 1 CYS CB C 1.188 -1.481 2.175 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 20 . 4184 . 1 1 1 CYS H1 H 0.154 -3.014 -0.624 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 20 . 4185 . 1 1 1 CYS HA H 1.199 -0.990 0.093 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 20 . 4186 . 1 1 1 CYS HB3 H 2.160 -1.237 2.578 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4187 . 1 1 1 CYS N N 0.323 -2.843 0.327 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 20 . 4188 . 1 1 1 CYS O O 3.129 -3.441 1.023 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 20 . 4189 . 1 1 1 CYS SG S 0.093 -0.053 2.459 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 20 . 4190 . 1 1 2 THR C C 5.808 -1.879 0.425 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 20 . 4191 . 1 1 2 THR CA C 4.852 -2.160 -0.729 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 20 . 4192 . 1 1 2 THR CB C 5.372 -1.452 -1.995 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 20 . 4193 . 1 1 2 THR CG2 C 5.761 -2.468 -3.060 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 20 . 4194 . 1 1 2 THR H H 3.131 -0.934 -0.825 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 20 . 4195 . 1 1 2 THR HA H 4.836 -3.224 -0.917 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 20 . 4196 . 1 1 2 THR HB H 6.246 -0.875 -1.733 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 20 . 4197 . 1 1 2 THR HG1 H 4.509 -0.443 -3.452 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 20 . 4198 . 1 1 2 THR HG21 H 6.642 -3.005 -2.741 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 20 . 4199 . 1 1 2 THR HG22 H 5.968 -1.954 -3.987 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 20 . 4200 . 1 1 2 THR HG23 H 4.949 -3.163 -3.207 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 20 . 4201 . 1 1 2 THR N N 3.496 -1.739 -0.403 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 20 . 4202 . 1 1 2 THR O O 5.382 -1.533 1.526 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 20 . 4203 . 1 1 2 THR OG1 O 4.366 -0.574 -2.512 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 20 . 4204 . 1 1 3 ALA C C 9.277 -0.968 0.618 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 20 . 4205 . 1 1 3 ALA CA C 8.119 -1.787 1.182 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 20 . 4206 . 1 1 3 ALA CB C 8.628 -3.106 1.743 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 20 . 4207 . 1 1 3 ALA H H 7.381 -2.305 -0.732 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 20 . 4208 . 1 1 3 ALA HA H 7.661 -1.233 1.988 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 20 . 4209 . 1 1 3 ALA HB1 H 9.036 -2.942 2.729 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 20 . 4210 . 1 1 3 ALA HB2 H 7.812 -3.809 1.803 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 20 . 4211 . 1 1 3 ALA HB3 H 9.396 -3.500 1.095 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4212 . 1 1 3 ALA N N 7.103 -2.028 0.165 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 20 . 4213 . 1 1 3 ALA O O 10.436 -1.203 0.954 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 20 . 4214 . 1 1 4 SER C C 9.791 2.294 -0.425 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 20 . 4215 . 1 1 4 SER CA C 9.966 0.841 -0.857 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 20 . 4216 . 1 1 4 SER CB C 9.891 0.739 -2.381 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 20 . 4217 . 1 1 4 SER H H 8.009 0.129 -0.471 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 20 . 4218 . 1 1 4 SER HA H 10.934 0.494 -0.529 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 20 . 4219 . 1 1 4 SER HB3 H 10.375 1.600 -2.822 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4220 . 1 1 4 SER HG H 9.880 -1.108 -3.034 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 20 . 4221 . 1 1 4 SER N N 8.951 -0.009 -0.242 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 20 . 4222 . 1 1 4 SER O O 8.780 2.656 0.181 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 20 . 4223 . 1 1 4 SER OG O 10.536 -0.434 -2.846 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 20 . 4224 . 1 1 5 ILE C C 10.705 5.413 -1.629 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 20 . 4225 . 1 1 5 ILE CA C 10.738 4.534 -0.384 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 20 . 4226 . 1 1 5 ILE CB C 11.948 4.936 0.481 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 20 . 4227 . 1 1 5 ILE CD1 C 11.988 7.479 0.383 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4228 . 1 1 5 ILE CG1 C 11.667 6.253 1.208 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 20 . 4229 . 1 1 5 ILE CG2 C 13.197 5.055 -0.378 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 20 . 4230 . 1 1 5 ILE H H 11.560 2.774 -1.221 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 20 . 4231 . 1 1 5 ILE HA H 9.838 4.707 0.189 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 20 . 4232 . 1 1 5 ILE HB H 12.114 4.157 1.210 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 20 . 4233 . 1 1 5 ILE HD11 H 11.645 8.361 0.901 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 20 . 4234 . 1 1 5 ILE HD12 H 13.055 7.541 0.230 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 20 . 4235 . 1 1 5 ILE HD13 H 11.491 7.408 -0.574 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 20 . 4236 . 1 1 5 ILE HG13 H 12.265 6.292 2.108 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 20 . 4237 . 1 1 5 ILE HG21 H 14.056 5.219 0.255 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 20 . 4238 . 1 1 5 ILE HG22 H 13.336 4.143 -0.940 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 20 . 4239 . 1 1 5 ILE HG23 H 13.089 5.884 -1.060 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 20 . 4240 . 1 1 5 ILE N N 10.782 3.121 -0.739 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 20 . 4241 . 1 1 5 ILE O O 11.564 5.324 -2.506 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 20 . 4242 . 1 1 6 PRO C C 7.740 5.183 -0.633 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 20 . 4243 . 1 1 6 PRO CA C 8.659 6.400 -0.675 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 20 . 4244 . 1 1 6 PRO CB C 7.874 7.648 -1.090 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 20 . 4245 . 1 1 6 PRO CD C 9.467 7.225 -2.823 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 20 . 4246 . 1 1 6 PRO CG C 8.083 7.754 -2.561 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 20 . 4247 . 1 1 6 PRO HA H 9.094 6.555 0.302 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 20 . 4248 . 1 1 6 PRO HB3 H 8.265 8.512 -0.574 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4249 . 1 1 6 PRO HD3 H 10.188 8.029 -2.798 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 20 . 4250 . 1 1 6 PRO HG3 H 8.012 8.786 -2.869 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 20 . 4251 . 1 1 6 PRO N N 9.688 6.285 -1.712 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 20 . 4252 . 1 1 6 PRO O O 7.761 4.329 -1.519 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 20 . 4253 . 1 1 7 PRO C C 4.833 4.028 -0.413 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 20 . 4254 . 1 1 7 PRO CA C 5.969 3.994 0.602 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 20 . 4255 . 1 1 7 PRO CB C 5.431 4.215 2.018 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 20 . 4256 . 1 1 7 PRO CD C 6.834 6.084 1.513 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 20 . 4257 . 1 1 7 PRO CG C 5.594 5.677 2.260 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 20 . 4258 . 1 1 7 PRO HA H 6.468 3.036 0.551 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 20 . 4259 . 1 1 7 PRO HB3 H 6.005 3.633 2.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4260 . 1 1 7 PRO HD3 H 7.699 6.017 2.156 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 20 . 4261 . 1 1 7 PRO HG3 H 5.716 5.861 3.317 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 20 . 4262 . 1 1 7 PRO N N 6.913 5.101 0.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 20 . 4263 . 1 1 7 PRO O O 4.251 5.081 -0.672 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 20 . 4264 . 1 1 8 ILE C C 2.354 1.822 -1.494 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 20 . 4265 . 1 1 8 ILE CA C 3.452 2.768 -1.969 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 20 . 4266 . 1 1 8 ILE CB C 3.984 2.275 -3.328 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 20 . 4267 . 1 1 8 ILE CD1 C 6.018 3.569 -4.145 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4268 . 1 1 8 ILE CG1 C 4.509 3.453 -4.153 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 20 . 4269 . 1 1 8 ILE CG2 C 2.893 1.536 -4.088 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 20 . 4270 . 1 1 8 ILE H H 5.021 2.064 -0.737 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 20 . 4271 . 1 1 8 ILE HA H 3.031 3.753 -2.106 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 20 . 4272 . 1 1 8 ILE HB H 4.792 1.585 -3.145 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 20 . 4273 . 1 1 8 ILE HD11 H 6.444 2.701 -3.665 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 20 . 4274 . 1 1 8 ILE HD12 H 6.379 3.634 -5.160 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 20 . 4275 . 1 1 8 ILE HD13 H 6.308 4.457 -3.602 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 20 . 4276 . 1 1 8 ILE HG13 H 4.103 4.371 -3.752 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 20 . 4277 . 1 1 8 ILE HG21 H 1.970 2.094 -4.027 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 20 . 4278 . 1 1 8 ILE HG22 H 3.182 1.434 -5.124 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 20 . 4279 . 1 1 8 ILE HG23 H 2.750 0.558 -3.655 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 20 . 4280 . 1 1 8 ILE N N 4.521 2.869 -0.985 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 20 . 4281 . 1 1 8 ILE O O 2.631 0.770 -0.918 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 20 . 4282 . 1 1 9 CYS C C -0.983 1.162 -2.514 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 20 . 4283 . 1 1 9 CYS CA C -0.036 1.390 -1.338 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 20 . 4284 . 1 1 9 CYS CB C -0.789 2.063 -0.188 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 20 . 4285 . 1 1 9 CYS H H 0.946 3.054 -2.202 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 20 . 4286 . 1 1 9 CYS HA H 0.337 0.435 -1.002 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 20 . 4287 . 1 1 9 CYS HB3 H -1.817 1.734 -0.199 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4288 . 1 1 9 CYS N N 1.105 2.204 -1.740 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 20 . 4289 . 1 1 9 CYS O O -1.400 2.109 -3.182 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 20 . 4290 . 1 1 9 CYS SG S -0.107 1.697 1.461 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 20 . 4291 . 1 1 10 HIS C C -3.449 -1.178 -3.332 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 20 . 4292 . 1 1 10 HIS CA C -2.213 -0.455 -3.855 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 20 . 4293 . 1 1 10 HIS CB C -1.486 -1.331 -4.875 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 20 . 4294 . 1 1 10 HIS CD2 C -0.977 -3.739 -4.052 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4295 . 1 1 10 HIS CE1 C 1.041 -3.389 -3.270 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4296 . 1 1 10 HIS CG C -0.684 -2.433 -4.254 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 20 . 4297 . 1 1 10 HIS H H -0.950 -0.811 -2.194 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 20 . 4298 . 1 1 10 HIS HA H -2.523 0.461 -4.337 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 20 . 4299 . 1 1 10 HIS HB3 H -0.815 -0.717 -5.455 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4300 . 1 1 10 HIS HD1 H 1.084 -1.402 -3.750 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4301 . 1 1 10 HIS HD2 H -1.897 -4.237 -4.323 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4302 . 1 1 10 HIS HE1 H 2.006 -3.546 -2.815 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4303 . 1 1 10 HIS N N -1.316 -0.100 -2.760 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 20 . 4304 . 1 1 10 HIS ND1 N 0.588 -2.247 -3.752 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 20 . 4305 . 1 1 10 HIS NE2 N 0.109 -4.312 -3.440 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 20 . 4306 . 1 1 10 HIS O O -4.058 -1.981 -4.041 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 20 . 4307 . 1 1 11 . C C -5.121 -1.080 -0.013 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 20 . 4308 . 1 1 11 . CA C -4.979 -1.515 -1.468 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 20 . 4309 . 1 1 11 . CB C -6.248 -1.159 -2.245 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 20 . 4310 . 1 1 11 . CD1 C -6.382 0.304 -4.280 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4311 . 1 1 11 . CD2 C -5.927 1.329 -2.176 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4312 . 1 1 11 . CE1 C -6.323 1.540 -4.898 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4313 . 1 1 11 . CE2 C -5.868 2.567 -2.786 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 20 . 4314 . 1 1 11 . CG C -6.184 0.185 -2.913 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 20 . 4315 . 1 1 11 . CZ C -6.066 2.672 -4.151 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 20 . 4316 . 1 1 11 . H H -3.289 -0.243 -1.572 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 20 . 4317 . 1 1 11 . HA H -4.837 -2.585 -1.501 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 20 . 4318 . 1 1 11 . HB2 H -7.087 -1.151 -1.567 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 20 . 4319 . 1 1 11 . HB3 H -6.415 -1.902 -3.009 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4320 . 1 1 11 . HD1 H -6.583 -0.581 -4.865 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4321 . 1 1 11 . HD2 H -5.772 1.249 -1.109 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4322 . 1 1 11 . HE1 H -6.480 1.618 -5.962 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4323 . 1 1 11 . HE2 H -5.667 3.451 -2.201 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 20 . 4324 . 1 1 11 . HZ H -6.020 3.638 -4.631 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 20 . 4325 . 1 1 11 . N N -3.814 -0.892 -2.087 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 20 . 4326 . 1 1 11 . O O -4.617 -0.030 0.383 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 20 . 4327 . 1 1 12 MMO C C -5.820 -2.846 3.045 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 20 . 4328 . 1 1 12 MMO CA C -6.016 -1.598 2.189 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 20 . 4329 . 1 1 12 MMO CB C -7.419 -1.030 2.412 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 20 . 4330 . 1 1 12 MMO CD C -8.832 1.036 2.642 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 20 . 4331 . 1 1 12 MMO CG C -7.528 0.458 2.116 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 20 . 4332 . 1 1 12 MMO CN C -6.375 -3.130 0.216 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 20 . 4333 . 1 1 12 MMO CZ C -10.098 1.129 4.747 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 20 . 4334 . 1 1 12 MMO HA H -5.287 -0.857 2.482 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 20 . 4335 . 1 1 12 MMO HC1 H -5.569 -3.767 -0.152 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 20 . 4336 . 1 1 12 MMO HC2 H -7.044 -2.882 -0.608 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 20 . 4337 . 1 1 12 MMO HC3 H -6.931 -3.660 0.987 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 20 . 4338 . 1 1 12 MMO HCB1 H -8.113 -1.552 1.770 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 20 . 4339 . 1 1 12 MMO HCB2 H -7.701 -1.191 3.441 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 20 . 4340 . 1 1 12 MMO HCD1 H -8.828 2.104 2.481 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4341 . 1 1 12 MMO HCD2 H -9.652 0.593 2.093 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4342 . 1 1 12 MMO HCG1 H -6.703 0.971 2.590 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 20 . 4343 . 1 1 12 MMO HCG2 H -7.481 0.608 1.048 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 20 . 4344 . 1 1 12 MMO HH11 H -9.445 0.375 6.505 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 20 . 4345 . 1 1 12 MMO HH12 H -11.005 1.121 6.552 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 20 . 4346 . 1 1 12 MMO HH21 H -11.024 1.970 3.160 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 20 . 4347 . 1 1 12 MMO HH22 H -11.905 2.028 4.650 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 20 . 4348 . 1 1 12 MMO N N -5.809 -1.896 0.778 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 20 . 4349 . 1 1 12 MMO NE N -9.015 0.772 4.065 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 20 . 4350 . 1 1 12 MMO NH1 N -10.190 0.852 6.041 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 20 . 4351 . 1 1 12 MMO NH2 N -11.091 1.760 4.135 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 20 . 4352 . 1 1 12 MMO O O -6.788 -3.491 3.448 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 20 . 4353 . 1 1 13 . C C -2.279 -3.295 2.417 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 20 . 4354 . 1 1 13 . CA C -3.441 -2.393 2.820 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 20 . 4355 . 1 1 13 . CB C -2.981 -1.396 3.885 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 20 . 4356 . 1 1 13 . CD1 C -4.769 -1.488 5.718 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4357 . 1 1 13 . CD2 C -4.701 0.449 4.597 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 20 . 4358 . 1 1 13 . CE2 C -5.717 0.528 5.568 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 20 . 4359 . 1 1 13 . CE3 C -4.471 1.552 3.771 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 20 . 4360 . 1 1 13 . CG C -4.106 -0.848 4.711 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 20 . 4361 . 1 1 13 . CH2 C -6.255 2.731 4.911 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 20 . 4362 . 1 1 13 . CN2 C -4.299 -4.372 4.133 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 20 . 4363 . 1 1 13 . CZ2 C -6.503 1.667 5.733 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 20 . 4364 . 1 1 13 . CZ3 C -5.251 2.681 3.935 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 20 . 4365 . 1 1 13 . HA H -3.776 -1.848 1.950 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 20 . 4366 . 1 1 13 . HB2 H -2.286 -1.884 4.551 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 20 . 4367 . 1 1 13 . HB3 H -2.488 -0.565 3.401 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4368 . 1 1 13 . HD1 H -4.553 -2.494 6.047 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 20 . 4369 . 1 1 13 . HE1 H -6.348 -0.898 6.971 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4370 . 1 1 13 . HE3 H -3.701 1.533 3.013 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 20 . 4371 . 1 1 13 . HH2 H -6.841 3.634 5.003 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 20 . 4372 . 1 1 13 . HN1 H -5.110 -4.510 4.848 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 20 . 4373 . 1 1 13 . HN2 H -3.359 -4.245 4.670 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 20 . 4374 . 1 1 13 . HN3 H -4.232 -5.248 3.487 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 20 . 4375 . 1 1 13 . HZ2 H -7.281 1.721 6.481 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 20 . 4376 . 1 1 13 . HZ3 H -5.088 3.544 3.306 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 20 . 4377 . 1 1 13 . N N -4.564 -3.179 3.315 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 20 . 4378 . 1 1 13 . NE1 N -5.739 -0.667 6.239 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 20 . 4379 . 1 1 13 . O O -1.366 -3.537 3.205 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 20 . 4380 . 1 1 14 ARG C C 0.104 -4.039 0.877 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 20 . 4381 . 1 1 14 ARG CA C -1.271 -4.667 0.677 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 20 . 4382 . 1 1 14 ARG CB C -1.499 -4.963 -0.807 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 20 . 4383 . 1 1 14 ARG CD C -3.029 -6.014 -2.500 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 20 . 4384 . 1 1 14 ARG CG C -2.539 -6.040 -1.060 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 20 . 4385 . 1 1 14 ARG CZ C -2.294 -6.798 -4.712 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 20 . 4386 . 1 1 14 ARG H H -3.074 -3.560 0.601 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 20 . 4387 . 1 1 14 ARG HA H -1.316 -5.592 1.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 20 . 4388 . 1 1 14 ARG HB3 H -0.565 -5.283 -1.245 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 20 . 4389 . 1 1 14 ARG HD3 H -3.208 -4.989 -2.786 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 20 . 4390 . 1 1 14 ARG HE H -1.186 -6.860 -3.055 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 20 . 4391 . 1 1 14 ARG HG3 H -3.378 -5.879 -0.400 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 20 . 4392 . 1 1 14 ARG HH11 H -4.169 -6.050 -4.654 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 20 . 4393 . 1 1 14 ARG HH12 H -3.638 -6.605 -6.208 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 20 . 4394 . 1 1 14 ARG HH21 H -0.475 -7.594 -5.094 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 20 . 4395 . 1 1 14 ARG HH22 H -1.538 -7.484 -6.457 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 20 . 4396 . 1 1 14 ARG N N -2.321 -3.789 1.184 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 20 . 4397 . 1 1 14 ARG NE N -2.056 -6.600 -3.420 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 20 . 4398 . 1 1 14 ARG NH1 N -3.463 -6.457 -5.234 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 20 . 4399 . 1 1 14 ARG NH2 N -1.359 -7.336 -5.484 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 20 . 4400 . 1 1 14 ARG O O 0.866 -4.454 1.750 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 21 . 4401 . 1 1 1 CYS C C 3.341 -2.987 -1.010 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 21 . 4402 . 1 1 1 CYS CA C 2.501 -1.975 -0.236 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 21 . 4403 . 1 1 1 CYS CB C 3.391 -1.195 0.734 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 21 . 4404 . 1 1 1 CYS H1 H 1.463 -2.684 1.466 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 21 . 4405 . 1 1 1 CYS HA H 2.056 -1.286 -0.936 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 21 . 4406 . 1 1 1 CYS HB3 H 4.318 -0.949 0.242 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4407 . 1 1 1 CYS N N 1.423 -2.639 0.486 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 21 . 4408 . 1 1 1 CYS O O 3.263 -4.192 -0.765 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 21 . 4409 . 1 1 1 CYS SG S 2.650 0.358 1.335 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 21 . 4410 . 1 1 2 THR C C 6.168 -2.569 -3.339 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 21 . 4411 . 1 1 2 THR CA C 4.998 -3.350 -2.755 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 21 . 4412 . 1 1 2 THR CB C 4.207 -4.004 -3.904 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 21 . 4413 . 1 1 2 THR CG2 C 3.757 -2.961 -4.914 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 21 . 4414 . 1 1 2 THR H H 4.162 -1.522 -2.093 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 21 . 4415 . 1 1 2 THR HA H 5.382 -4.134 -2.118 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 21 . 4416 . 1 1 2 THR HB H 3.331 -4.485 -3.490 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 21 . 4417 . 1 1 2 THR HG1 H 4.506 -5.415 -5.250 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 21 . 4418 . 1 1 2 THR HG21 H 2.680 -2.969 -4.985 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 21 . 4419 . 1 1 2 THR HG22 H 4.183 -3.188 -5.880 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 21 . 4420 . 1 1 2 THR HG23 H 4.090 -1.984 -4.595 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 21 . 4421 . 1 1 2 THR N N 4.144 -2.491 -1.944 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 21 . 4422 . 1 1 2 THR O O 6.661 -2.887 -4.422 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 21 . 4423 . 1 1 2 THR OG1 O 5.016 -4.990 -4.556 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 21 . 4424 . 1 1 3 ALA C C 8.398 -0.021 -1.886 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 21 . 4425 . 1 1 3 ALA CA C 7.727 -0.720 -3.063 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 21 . 4426 . 1 1 3 ALA CB C 7.252 0.302 -4.085 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 21 . 4427 . 1 1 3 ALA H H 6.178 -1.342 -1.762 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 21 . 4428 . 1 1 3 ALA HA H 8.448 -1.366 -3.544 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 21 . 4429 . 1 1 3 ALA HB1 H 7.920 0.296 -4.934 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 21 . 4430 . 1 1 3 ALA HB2 H 6.254 0.048 -4.411 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 21 . 4431 . 1 1 3 ALA HB3 H 7.245 1.282 -3.636 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4432 . 1 1 3 ALA N N 6.612 -1.546 -2.617 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 21 . 4433 . 1 1 3 ALA O O 7.772 0.216 -0.853 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 21 . 4434 . 1 1 4 SER C C 10.057 2.448 -0.908 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 21 . 4435 . 1 1 4 SER CA C 10.435 0.972 -0.996 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 21 . 4436 . 1 1 4 SER CB C 11.936 0.832 -1.253 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 21 . 4437 . 1 1 4 SER H H 10.121 0.088 -2.894 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 21 . 4438 . 1 1 4 SER HA H 10.192 0.495 -0.058 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 21 . 4439 . 1 1 4 SER HB3 H 12.480 1.368 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4440 . 1 1 4 SER HG H 11.927 -0.992 -1.964 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 21 . 4441 . 1 1 4 SER N N 9.676 0.304 -2.048 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 21 . 4442 . 1 1 4 SER O O 9.344 2.969 -1.766 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 21 . 4443 . 1 1 4 SER OG O 12.333 -0.527 -1.229 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 21 . 4444 . 1 1 5 ILE C C 10.577 5.338 -0.915 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 21 . 4445 . 1 1 5 ILE CA C 10.254 4.529 0.335 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 21 . 4446 . 1 1 5 ILE CB C 11.050 5.101 1.523 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 21 . 4447 . 1 1 5 ILE CD1 C 9.643 6.760 2.844 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4448 . 1 1 5 ILE CG1 C 10.677 6.567 1.757 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 21 . 4449 . 1 1 5 ILE CG2 C 12.544 4.963 1.275 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 21 . 4450 . 1 1 5 ILE H H 11.100 2.643 0.785 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 21 . 4451 . 1 1 5 ILE HA H 9.200 4.628 0.553 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 21 . 4452 . 1 1 5 ILE HB H 10.801 4.529 2.403 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 21 . 4453 . 1 1 5 ILE HD11 H 8.735 7.156 2.412 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 21 . 4454 . 1 1 5 ILE HD12 H 9.435 5.813 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 21 . 4455 . 1 1 5 ILE HD13 H 10.022 7.455 3.581 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 21 . 4456 . 1 1 5 ILE HG13 H 10.278 6.979 0.842 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 21 . 4457 . 1 1 5 ILE HG21 H 12.712 4.268 0.465 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 21 . 4458 . 1 1 5 ILE HG22 H 12.956 5.926 1.014 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 21 . 4459 . 1 1 5 ILE HG23 H 13.025 4.597 2.169 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 21 . 4460 . 1 1 5 ILE N N 10.539 3.114 0.136 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 21 . 4461 . 1 1 5 ILE O O 11.666 5.240 -1.483 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 21 . 4462 . 1 1 6 PRO C C 7.458 5.030 -0.849 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 21 . 4463 . 1 1 6 PRO CA C 8.313 6.282 -0.691 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 21 . 4464 . 1 1 6 PRO CB C 7.661 7.469 -1.402 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 21 . 4465 . 1 1 6 PRO CD C 9.715 7.028 -2.541 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 21 . 4466 . 1 1 6 PRO CG C 8.305 7.506 -2.745 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 21 . 4467 . 1 1 6 PRO HA H 8.426 6.507 0.361 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 21 . 4468 . 1 1 6 PRO HB3 H 7.853 8.377 -0.848 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4469 . 1 1 6 PRO HD3 H 10.373 7.862 -2.351 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 21 . 4470 . 1 1 6 PRO HG3 H 8.303 8.517 -3.125 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 21 . 4471 . 1 1 6 PRO N N 9.613 6.158 -1.358 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 21 . 4472 . 1 1 6 PRO O O 7.341 4.462 -1.936 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 21 . 4473 . 1 1 7 PRO C C 4.682 3.618 -0.488 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 21 . 4474 . 1 1 7 PRO CA C 5.988 3.396 0.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 21 . 4475 . 1 1 7 PRO CB C 5.716 3.165 1.754 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 21 . 4476 . 1 1 7 PRO CD C 6.940 5.211 1.587 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 21 . 4477 . 1 1 7 PRO CG C 5.874 4.507 2.381 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 21 . 4478 . 1 1 7 PRO HA H 6.499 2.537 -0.146 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 21 . 4479 . 1 1 7 PRO HB3 H 6.430 2.458 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4480 . 1 1 7 PRO HD3 H 7.912 5.040 2.025 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 21 . 4481 . 1 1 7 PRO HG3 H 6.184 4.397 3.408 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 21 . 4482 . 1 1 7 PRO N N 6.845 4.586 0.257 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 21 . 4483 . 1 1 7 PRO O O 3.949 4.568 -0.213 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 21 . 4484 . 1 1 8 ILE C C 2.285 1.613 -2.024 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 21 . 4485 . 1 1 8 ILE CA C 3.175 2.834 -2.231 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 21 . 4486 . 1 1 8 ILE CB C 3.488 2.980 -3.731 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 21 . 4487 . 1 1 8 ILE CD1 C 1.925 1.505 -5.095 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4488 . 1 1 8 ILE CG1 C 2.200 2.891 -4.553 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 21 . 4489 . 1 1 8 ILE CG2 C 4.480 1.914 -4.172 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 21 . 4490 . 1 1 8 ILE H H 5.018 1.999 -1.611 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 21 . 4491 . 1 1 8 ILE HA H 2.639 3.715 -1.908 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 21 . 4492 . 1 1 8 ILE HB H 3.941 3.946 -3.890 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 21 . 4493 . 1 1 8 ILE HD11 H 0.879 1.420 -5.353 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 21 . 4494 . 1 1 8 ILE HD12 H 2.529 1.333 -5.973 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 21 . 4495 . 1 1 8 ILE HD13 H 2.169 0.769 -4.341 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 21 . 4496 . 1 1 8 ILE HG13 H 2.270 3.567 -5.393 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 21 . 4497 . 1 1 8 ILE HG21 H 4.581 1.937 -5.247 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 21 . 4498 . 1 1 8 ILE HG22 H 5.440 2.107 -3.717 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 21 . 4499 . 1 1 8 ILE HG23 H 4.125 0.941 -3.865 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 21 . 4500 . 1 1 8 ILE N N 4.395 2.735 -1.439 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 21 . 4501 . 1 1 8 ILE O O 2.735 0.475 -2.156 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 21 . 4502 . 1 1 9 CYS C C -1.052 0.818 -2.519 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 21 . 4503 . 1 1 9 CYS CA C 0.064 0.778 -1.479 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 21 . 4504 . 1 1 9 CYS CB C -0.531 0.879 -0.073 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 21 . 4505 . 1 1 9 CYS H H 0.720 2.788 -1.611 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 21 . 4506 . 1 1 9 CYS HA H 0.593 -0.157 -1.571 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 21 . 4507 . 1 1 9 CYS HB3 H -1.388 0.228 -0.006 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4508 . 1 1 9 CYS N N 1.019 1.857 -1.702 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 21 . 4509 . 1 1 9 CYS O O -1.482 1.890 -2.945 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 21 . 4510 . 1 1 9 CYS SG S 0.624 0.415 1.258 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 21 . 4511 . 1 1 10 HIS C C -3.822 -1.123 -3.310 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 21 . 4512 . 1 1 10 HIS CA C -2.584 -0.463 -3.911 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 21 . 4513 . 1 1 10 HIS CB C -2.107 -1.259 -5.128 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 21 . 4514 . 1 1 10 HIS CD2 C -2.265 -3.834 -4.861 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4515 . 1 1 10 HIS CE1 C -0.240 -4.204 -4.110 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4516 . 1 1 10 HIS CG C -1.633 -2.640 -4.790 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 21 . 4517 . 1 1 10 HIS H H -1.134 -1.181 -2.546 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 21 . 4518 . 1 1 10 HIS HA H -2.841 0.537 -4.226 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 21 . 4519 . 1 1 10 HIS HB3 H -1.289 -0.731 -5.597 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4520 . 1 1 10 HIS HD1 H 0.336 -2.241 -4.155 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4521 . 1 1 10 HIS HD2 H -3.280 -4.004 -5.194 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4522 . 1 1 10 HIS HE1 H 0.645 -4.702 -3.740 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4523 . 1 1 10 HIS N N -1.517 -0.360 -2.923 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 21 . 4524 . 1 1 10 HIS ND1 N -0.365 -2.905 -4.316 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 21 . 4525 . 1 1 10 HIS NE2 N -1.378 -4.790 -4.434 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 21 . 4526 . 1 1 10 HIS O O -4.540 -1.855 -3.991 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 21 . 4527 . 1 1 11 . C C -5.192 -1.060 0.143 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 21 . 4528 . 1 1 11 . CA C -5.213 -1.429 -1.338 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 21 . 4529 . 1 1 11 . CB C -6.514 -0.939 -1.978 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 21 . 4530 . 1 1 11 . CD1 C -6.054 1.490 -1.554 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4531 . 1 1 11 . CD2 C -8.218 0.638 -1.030 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4532 . 1 1 11 . CE1 C -6.441 2.746 -1.124 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4533 . 1 1 11 . CE2 C -8.610 1.891 -0.598 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 21 . 4534 . 1 1 11 . CG C -6.937 0.423 -1.512 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 21 . 4535 . 1 1 11 . CZ C -7.722 2.947 -0.647 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 21 . 4536 . 1 1 11 . H H -3.453 -0.269 -1.541 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 21 . 4537 . 1 1 11 . HA H -5.158 -2.502 -1.430 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 21 . 4538 . 1 1 11 . HB2 H -7.306 -1.634 -1.740 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 21 . 4539 . 1 1 11 . HB3 H -6.385 -0.901 -3.049 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4540 . 1 1 11 . HD1 H -5.052 1.335 -1.928 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4541 . 1 1 11 . HD2 H -8.916 -0.187 -0.991 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4542 . 1 1 11 . HE1 H -5.743 3.569 -1.165 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4543 . 1 1 11 . HE2 H -9.612 2.045 -0.226 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 21 . 4544 . 1 1 11 . HZ H -8.025 3.927 -0.310 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 21 . 4545 . 1 1 11 . N N -4.063 -0.860 -2.030 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 21 . 4546 . 1 1 11 . O O -4.693 0.000 0.522 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 21 . 4547 . 1 1 12 MMO C C -5.209 -2.902 3.174 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 21 . 4548 . 1 1 12 MMO CA C -5.782 -1.710 2.413 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 21 . 4549 . 1 1 12 MMO CB C -7.220 -1.448 2.864 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 21 . 4550 . 1 1 12 MMO CD C -8.893 0.359 3.368 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 21 . 4551 . 1 1 12 MMO CG C -7.738 -0.072 2.478 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 21 . 4552 . 1 1 12 MMO CN C -6.311 -3.182 0.429 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 21 . 4553 . 1 1 12 MMO CZ C -10.330 2.330 3.674 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 21 . 4554 . 1 1 12 MMO HA H -5.182 -0.839 2.627 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 21 . 4555 . 1 1 12 MMO HC1 H -5.518 -3.787 -0.010 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 21 . 4556 . 1 1 12 MMO HC2 H -7.045 -2.934 -0.339 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 21 . 4557 . 1 1 12 MMO HC3 H -6.796 -3.740 1.228 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 21 . 4558 . 1 1 12 MMO HCB1 H -7.866 -2.190 2.420 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 21 . 4559 . 1 1 12 MMO HCB2 H -7.269 -1.538 3.939 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 21 . 4560 . 1 1 12 MMO HCD1 H -9.662 -0.396 3.327 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4561 . 1 1 12 MMO HCD2 H -8.533 0.451 4.380 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4562 . 1 1 12 MMO HCG1 H -6.936 0.645 2.575 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 21 . 4563 . 1 1 12 MMO HCG2 H -8.076 -0.101 1.452 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 21 . 4564 . 1 1 12 MMO HH11 H -10.504 3.835 2.335 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 21 . 4565 . 1 1 12 MMO HH12 H -11.457 4.005 3.770 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 21 . 4566 . 1 1 12 MMO HH21 H -10.375 1.001 5.195 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 21 . 4567 . 1 1 12 MMO HH22 H -11.384 2.395 5.398 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 21 . 4568 . 1 1 12 MMO N N -5.737 -1.942 0.974 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 21 . 4569 . 1 1 12 MMO NE N -9.461 1.637 2.947 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 21 . 4570 . 1 1 12 MMO NH1 N -10.803 3.486 3.222 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 21 . 4571 . 1 1 12 MMO NH2 N -10.729 1.871 4.852 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 21 . 4572 . 1 1 12 MMO O O -5.949 -3.774 3.629 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 21 . 4573 . 1 1 13 . C C -1.729 -2.462 2.228 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 21 . 4574 . 1 1 13 . CA C -3.040 -1.884 2.749 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 21 . 4575 . 1 1 13 . CB C -2.755 -0.818 3.810 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 21 . 4576 . 1 1 13 . CD1 C -4.224 -1.448 5.814 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4577 . 1 1 13 . CD2 C -4.822 0.456 4.796 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 21 . 4578 . 1 1 13 . CE2 C -5.701 0.226 5.872 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 21 . 4579 . 1 1 13 . CE3 C -5.004 1.597 4.010 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 21 . 4580 . 1 1 13 . CG C -3.883 -0.626 4.777 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 21 . 4581 . 1 1 13 . CH2 C -6.899 2.203 5.392 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 21 . 4582 . 1 1 13 . CN2 C -3.265 -4.053 4.024 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 21 . 4583 . 1 1 13 . CZ2 C -6.746 1.095 6.178 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 21 . 4584 . 1 1 13 . CZ3 C -6.040 2.457 4.316 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 21 . 4585 . 1 1 13 . HA H -3.572 -1.429 1.928 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 21 . 4586 . 1 1 13 . HB2 H -1.879 -1.104 4.371 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 21 . 4587 . 1 1 13 . HB3 H -2.572 0.126 3.317 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4588 . 1 1 13 . HD1 H -3.700 -2.358 6.064 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 21 . 4589 . 1 1 13 . HE1 H -5.747 -1.350 7.257 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4590 . 1 1 13 . HE3 H -4.351 1.809 3.175 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 21 . 4591 . 1 1 13 . HH2 H -7.696 2.903 5.594 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 21 . 4592 . 1 1 13 . HN1 H -2.812 -4.739 3.309 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 21 . 4593 . 1 1 13 . HN2 H -4.023 -4.581 4.605 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 21 . 4594 . 1 1 13 . HN3 H -2.496 -3.669 4.696 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 21 . 4595 . 1 1 13 . HZ2 H -7.416 0.913 7.006 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 21 . 4596 . 1 1 13 . HZ3 H -6.196 3.344 3.719 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 21 . 4597 . 1 1 13 . N N -3.887 -2.934 3.303 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 21 . 4598 . 1 1 13 . NE1 N -5.315 -0.941 6.476 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 21 . 4599 . 1 1 13 . O O -0.653 -2.128 2.721 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 21 . 4600 . 1 1 14 ARG C C 0.227 -2.916 -0.055 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 21 . 4601 . 1 1 14 ARG CA C -0.649 -3.955 0.637 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 21 . 4602 . 1 1 14 ARG CB C -1.064 -5.035 -0.362 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 21 . 4603 . 1 1 14 ARG CD C -0.473 -7.265 0.636 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 21 . 4604 . 1 1 14 ARG CG C -1.597 -6.300 0.292 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 21 . 4605 . 1 1 14 ARG CZ C -0.185 -9.466 1.694 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 21 . 4606 . 1 1 14 ARG H H -2.714 -3.557 0.876 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 21 . 4607 . 1 1 14 ARG HA H -0.084 -4.413 1.435 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 21 . 4608 . 1 1 14 ARG HB3 H -0.207 -5.300 -0.963 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 21 . 4609 . 1 1 14 ARG HD3 H 0.231 -6.762 1.281 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 21 . 4610 . 1 1 14 ARG HE H -1.927 -8.516 1.493 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 21 . 4611 . 1 1 14 ARG HG3 H -2.281 -6.784 -0.387 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 21 . 4612 . 1 1 14 ARG HH11 H 1.518 -8.623 1.005 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 21 . 4613 . 1 1 14 ARG HH12 H 1.707 -10.174 1.753 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 21 . 4614 . 1 1 14 ARG HH21 H -1.691 -10.559 2.480 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 21 . 4615 . 1 1 14 ARG HH22 H -0.120 -11.276 2.590 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 21 . 4616 . 1 1 14 ARG N N -1.828 -3.331 1.226 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 21 . 4617 . 1 1 14 ARG NE N -0.967 -8.460 1.314 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 21 . 4618 . 1 1 14 ARG NH1 N 1.120 -9.418 1.464 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 21 . 4619 . 1 1 14 ARG NH2 N -0.709 -10.520 2.305 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 21 . 4620 . 1 1 14 ARG O O -0.197 -2.269 -1.013 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 22 . 4621 . 1 1 1 CYS C C 3.135 -2.458 0.468 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 22 . 4622 . 1 1 1 CYS CA C 1.701 -2.142 0.888 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 22 . 4623 . 1 1 1 CYS CB C 1.702 -1.377 2.211 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 22 . 4624 . 1 1 1 CYS H1 H 1.107 -3.982 1.751 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 22 . 4625 . 1 1 1 CYS HA H 1.243 -1.530 0.127 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 22 . 4626 . 1 1 1 CYS HB3 H 2.637 -0.845 2.310 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4627 . 1 1 1 CYS N N 0.917 -3.366 1.013 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 22 . 4628 . 1 1 1 CYS O O 3.540 -3.619 0.424 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 22 . 4629 . 1 1 1 CYS SG S 0.355 -0.160 2.366 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 22 . 4630 . 1 1 2 THR C C 6.244 -1.053 0.810 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 22 . 4631 . 1 1 2 THR CA C 5.285 -1.577 -0.254 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 22 . 4632 . 1 1 2 THR CB C 5.563 -0.848 -1.582 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 22 . 4633 . 1 1 2 THR CG2 C 7.057 -0.643 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 22 . 4634 . 1 1 2 THR H H 3.518 -0.513 0.217 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 22 . 4635 . 1 1 2 THR HA H 5.467 -2.632 -0.402 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 22 . 4636 . 1 1 2 THR HB H 5.083 0.119 -1.552 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 22 . 4637 . 1 1 2 THR HG1 H 5.379 -2.494 -2.653 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 22 . 4638 . 1 1 2 THR HG21 H 7.575 -1.572 -1.598 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 22 . 4639 . 1 1 2 THR HG22 H 7.412 0.113 -1.102 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 22 . 4640 . 1 1 2 THR HG23 H 7.242 -0.325 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 22 . 4641 . 1 1 2 THR N N 3.899 -1.414 0.162 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 22 . 4642 . 1 1 2 THR O O 5.902 -0.158 1.580 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 22 . 4643 . 1 1 2 THR OG1 O 5.027 -1.602 -2.676 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 22 . 4644 . 1 1 3 ALA C C 9.297 -0.056 1.272 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 22 . 4645 . 1 1 3 ALA CA C 8.456 -1.207 1.813 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 22 . 4646 . 1 1 3 ALA CB C 9.344 -2.386 2.182 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 22 . 4647 . 1 1 3 ALA H H 7.660 -2.328 0.204 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 22 . 4648 . 1 1 3 ALA HA H 7.946 -0.877 2.707 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 22 . 4649 . 1 1 3 ALA HB1 H 8.735 -3.268 2.313 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 22 . 4650 . 1 1 3 ALA HB2 H 10.062 -2.556 1.393 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 22 . 4651 . 1 1 3 ALA HB3 H 9.865 -2.167 3.102 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4652 . 1 1 3 ALA N N 7.446 -1.619 0.845 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 22 . 4653 . 1 1 3 ALA O O 9.673 0.853 2.013 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 22 . 4654 . 1 1 4 SER C C 9.888 2.326 -0.278 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 22 . 4655 . 1 1 4 SER CA C 10.391 0.938 -0.662 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 22 . 4656 . 1 1 4 SER CB C 10.356 0.774 -2.183 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 22 . 4657 . 1 1 4 SER H H 9.261 -0.850 -0.563 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 22 . 4658 . 1 1 4 SER HA H 11.408 0.828 -0.319 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 22 . 4659 . 1 1 4 SER HB3 H 9.503 1.305 -2.581 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4660 . 1 1 4 SER HG H 12.043 0.572 -3.158 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 22 . 4661 . 1 1 4 SER N N 9.590 -0.099 -0.023 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 22 . 4662 . 1 1 4 SER O O 8.754 2.484 0.174 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 22 . 4663 . 1 1 4 SER OG O 11.534 1.291 -2.778 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 22 . 4664 . 1 1 5 ILE C C 10.303 5.563 -1.390 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 22 . 4665 . 1 1 5 ILE CA C 10.385 4.703 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 22 . 4666 . 1 1 5 ILE CB C 11.400 5.332 0.839 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 22 . 4667 . 1 1 5 ILE CD1 C 10.038 6.679 2.516 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4668 . 1 1 5 ILE CG1 C 10.920 6.713 1.288 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 22 . 4669 . 1 1 5 ILE CG2 C 12.770 5.426 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 22 . 4670 . 1 1 5 ILE H H 11.631 3.139 -0.824 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 22 . 4671 . 1 1 5 ILE HA H 9.416 4.691 0.346 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 22 . 4672 . 1 1 5 ILE HB H 11.482 4.690 1.704 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 22 . 4673 . 1 1 5 ILE HD11 H 9.243 5.962 2.369 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 22 . 4674 . 1 1 5 ILE HD12 H 10.627 6.393 3.375 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 22 . 4675 . 1 1 5 ILE HD13 H 9.612 7.658 2.683 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 22 . 4676 . 1 1 5 ILE HG13 H 10.355 7.168 0.486 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 22 . 4677 . 1 1 5 ILE HG21 H 13.514 5.633 0.942 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 22 . 4678 . 1 1 5 ILE HG22 H 13.002 4.492 -0.299 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 22 . 4679 . 1 1 5 ILE HG23 H 12.768 6.222 -0.543 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 22 . 4680 . 1 1 5 ILE N N 10.741 3.329 -0.459 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 22 . 4681 . 1 1 5 ILE O O 11.206 5.573 -2.227 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 22 . 4682 . 1 1 6 PRO C C 7.345 4.986 -0.521 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 22 . 4683 . 1 1 6 PRO CA C 8.113 6.303 -0.538 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 22 . 4684 . 1 1 6 PRO CB C 7.204 7.445 -1.002 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 22 . 4685 . 1 1 6 PRO CD C 8.912 7.206 -2.658 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 22 . 4686 . 1 1 6 PRO CG C 7.464 7.566 -2.464 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 22 . 4687 . 1 1 6 PRO HA H 8.482 6.516 0.454 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 22 . 4688 . 1 1 6 PRO HB3 H 7.465 8.353 -0.479 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4689 . 1 1 6 PRO HD3 H 9.531 8.090 -2.610 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 22 . 4690 . 1 1 6 PRO HG3 H 7.284 8.581 -2.786 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 22 . 4691 . 1 1 6 PRO N N 9.194 6.306 -1.527 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 22 . 4692 . 1 1 6 PRO O O 7.519 4.127 -1.387 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 22 . 4693 . 1 1 7 PRO C C 4.589 3.491 -0.442 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 22 . 4694 . 1 1 7 PRO CA C 5.661 3.609 0.638 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 22 . 4695 . 1 1 7 PRO CB C 5.018 3.784 2.015 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 22 . 4696 . 1 1 7 PRO CD C 6.214 5.801 1.551 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 22 . 4697 . 1 1 7 PRO CG C 4.990 5.257 2.235 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 22 . 4698 . 1 1 7 PRO HA H 6.272 2.718 0.634 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 22 . 4699 . 1 1 7 PRO HB3 H 5.616 3.284 2.761 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4700 . 1 1 7 PRO HD3 H 7.043 5.847 2.242 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 22 . 4701 . 1 1 7 PRO HG3 H 5.027 5.470 3.293 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 22 . 4702 . 1 1 7 PRO N N 6.474 4.820 0.485 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 22 . 4703 . 1 1 7 PRO O O 3.630 4.264 -0.462 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 22 . 4704 . 1 1 8 ILE C C 2.648 1.420 -1.954 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 22 . 4705 . 1 1 8 ILE CA C 3.803 2.302 -2.413 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 22 . 4706 . 1 1 8 ILE CB C 4.476 1.653 -3.636 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 22 . 4707 . 1 1 8 ILE CD1 C 6.562 2.827 -4.499 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4708 . 1 1 8 ILE CG1 C 5.054 2.728 -4.559 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 22 . 4709 . 1 1 8 ILE CG2 C 3.479 0.782 -4.388 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 22 . 4710 . 1 1 8 ILE H H 5.541 1.939 -1.263 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 22 . 4711 . 1 1 8 ILE HA H 3.410 3.264 -2.710 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 22 . 4712 . 1 1 8 ILE HB H 5.276 1.020 -3.286 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 22 . 4713 . 1 1 8 ILE HD11 H 6.975 2.639 -5.481 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 22 . 4714 . 1 1 8 ILE HD12 H 6.847 3.815 -4.172 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 22 . 4715 . 1 1 8 ILE HD13 H 6.944 2.093 -3.804 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 22 . 4716 . 1 1 8 ILE HG13 H 4.647 3.688 -4.279 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 22 . 4717 . 1 1 8 ILE HG21 H 2.525 1.284 -4.434 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 22 . 4718 . 1 1 8 ILE HG22 H 3.841 0.606 -5.390 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 22 . 4719 . 1 1 8 ILE HG23 H 3.367 -0.161 -3.876 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 22 . 4720 . 1 1 8 ILE N N 4.758 2.521 -1.334 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 22 . 4721 . 1 1 8 ILE O O 2.830 0.234 -1.675 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 22 . 4722 . 1 1 9 CYS C C -0.712 1.111 -2.613 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 22 . 4723 . 1 1 9 CYS CA C 0.269 1.272 -1.456 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 22 . 4724 . 1 1 9 CYS CB C -0.412 1.994 -0.291 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 22 . 4725 . 1 1 9 CYS H H 1.374 2.954 -2.114 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 22 . 4726 . 1 1 9 CYS HA H 0.583 0.293 -1.128 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 22 . 4727 . 1 1 9 CYS HB3 H -1.440 1.669 -0.228 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4728 . 1 1 9 CYS N N 1.457 2.005 -1.879 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 22 . 4729 . 1 1 9 CYS O O -0.942 2.047 -3.381 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 22 . 4730 . 1 1 9 CYS SG S 0.366 1.690 1.329 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 22 . 4731 . 1 1 10 HIS C C -3.490 -1.050 -3.236 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 22 . 4732 . 1 1 10 HIS CA C -2.246 -0.364 -3.794 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 22 . 4733 . 1 1 10 HIS CB C -1.604 -1.241 -4.868 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 22 . 4734 . 1 1 10 HIS CD2 C -1.696 -3.588 -3.766 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4735 . 1 1 10 HIS CE1 C 0.443 -4.060 -3.838 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4736 . 1 1 10 HIS CG C -1.066 -2.536 -4.340 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 22 . 4737 . 1 1 10 HIS H H -1.065 -0.785 -2.088 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 22 . 4738 . 1 1 10 HIS HA H -2.539 0.576 -4.237 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 22 . 4739 . 1 1 10 HIS HB3 H -0.785 -0.703 -5.323 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4740 . 1 1 10 HIS HD1 H 0.991 -2.301 -4.727 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4741 . 1 1 10 HIS HD2 H -2.758 -3.678 -3.581 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4742 . 1 1 10 HIS HE1 H 1.387 -4.574 -3.727 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4743 . 1 1 10 HIS N N -1.288 -0.080 -2.730 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 22 . 4744 . 1 1 10 HIS ND1 N 0.272 -2.863 -4.369 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 22 . 4745 . 1 1 10 HIS NE2 N -0.737 -4.522 -3.463 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 22 . 4746 . 1 1 10 HIS O O -4.123 -1.859 -3.915 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 22 . 4747 . 1 1 11 . C C -5.088 -0.869 0.114 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 22 . 4748 . 1 1 11 . CA C -5.002 -1.308 -1.346 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 22 . 4749 . 1 1 11 . CB C -6.278 -0.906 -2.087 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 22 . 4750 . 1 1 11 . CD1 C -5.855 1.560 -2.268 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4751 . 1 1 11 . CD2 C -7.878 0.831 -1.239 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4752 . 1 1 11 . CE1 C -6.221 2.876 -2.062 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4753 . 1 1 11 . CE2 C -8.251 2.146 -1.030 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 22 . 4754 . 1 1 11 . CG C -6.679 0.523 -1.861 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 22 . 4755 . 1 1 11 . CZ C -7.420 3.169 -1.441 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 22 . 4756 . 1 1 11 . H H -3.290 -0.072 -1.504 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 22 . 4757 . 1 1 11 . HA H -4.897 -2.382 -1.381 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 22 . 4758 . 1 1 11 . HB2 H -7.091 -1.534 -1.756 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 22 . 4759 . 1 1 11 . HB3 H -6.129 -1.046 -3.147 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4760 . 1 1 11 . HD1 H -4.917 1.333 -2.753 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4761 . 1 1 11 . HD2 H -8.529 0.030 -0.917 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4762 . 1 1 11 . HE1 H -5.570 3.676 -2.385 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4763 . 1 1 11 . HE2 H -9.188 2.371 -0.543 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 22 . 4764 . 1 1 11 . HZ H -7.708 4.198 -1.279 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 22 . 4765 . 1 1 11 . N N -3.834 -0.722 -1.995 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 22 . 4766 . 1 1 11 . O O -4.640 0.219 0.474 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 22 . 4767 . 1 1 12 MMO C C -5.530 -2.667 3.215 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 22 . 4768 . 1 1 12 MMO CA C -5.814 -1.429 2.369 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 22 . 4769 . 1 1 12 MMO CB C -7.222 -0.910 2.660 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 22 . 4770 . 1 1 12 MMO CD C -8.454 1.193 3.279 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 22 . 4771 . 1 1 12 MMO CG C -7.396 0.574 2.378 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 22 . 4772 . 1 1 12 MMO CN C -6.175 -3.004 0.427 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 22 . 4773 . 1 1 12 MMO CZ C -10.615 0.423 2.395 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 22 . 4774 . 1 1 12 MMO HA H -5.097 -0.663 2.622 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 22 . 4775 . 1 1 12 MMO HC1 H -6.866 -2.815 -0.395 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 22 . 4776 . 1 1 12 MMO HC2 H -6.696 -3.538 1.222 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 22 . 4777 . 1 1 12 MMO HC3 H -5.341 -3.607 0.071 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 22 . 4778 . 1 1 12 MMO HCB1 H -7.929 -1.455 2.051 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 22 . 4779 . 1 1 12 MMO HCB2 H -7.449 -1.085 3.702 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 22 . 4780 . 1 1 12 MMO HCD1 H -8.052 1.281 4.277 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4781 . 1 1 12 MMO HCD2 H -8.699 2.174 2.902 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4782 . 1 1 12 MMO HCG1 H -6.455 1.075 2.549 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 22 . 4783 . 1 1 12 MMO HCG2 H -7.692 0.701 1.347 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 22 . 4784 . 1 1 12 MMO HH11 H -11.796 -0.945 3.300 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 22 . 4785 . 1 1 12 MMO HH12 H -12.404 -0.312 1.807 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 22 . 4786 . 1 1 12 MMO HH21 H -9.671 1.798 1.254 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 22 . 4787 . 1 1 12 MMO HH22 H -11.196 1.247 0.643 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 22 . 4788 . 1 1 12 MMO N N -5.669 -1.726 0.948 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 22 . 4789 . 1 1 12 MMO NE N -9.671 0.386 3.328 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 22 . 4790 . 1 1 12 MMO NH1 N -11.694 -0.340 2.510 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 22 . 4791 . 1 1 12 MMO NH2 N -10.483 1.223 1.345 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 22 . 4792 . 1 1 12 MMO O O -6.453 -3.334 3.685 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 22 . 4793 . 1 1 13 . C C -2.032 -3.034 2.348 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 22 . 4794 . 1 1 13 . CA C -3.183 -2.157 2.830 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 22 . 4795 . 1 1 13 . CB C -2.674 -1.147 3.860 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 22 . 4796 . 1 1 13 . CD1 C -4.286 -1.301 5.845 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4797 . 1 1 13 . CD2 C -4.409 0.624 4.707 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 22 . 4798 . 1 1 13 . CE2 C -5.337 0.668 5.764 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 22 . 4799 . 1 1 13 . CE3 C -4.305 1.727 3.855 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 22 . 4800 . 1 1 13 . CG C -3.746 -0.644 4.778 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 22 . 4801 . 1 1 13 . CH2 C -6.037 2.836 5.140 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 22 . 4802 . 1 1 13 . CN2 C -3.904 -4.148 4.206 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 22 . 4803 . 1 1 13 . CZ2 C -6.158 1.769 5.988 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 22 . 4804 . 1 1 13 . CZ3 C -5.121 2.820 4.080 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 22 . 4805 . 1 1 13 . HA H -3.591 -1.622 1.985 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 22 . 4806 . 1 1 13 . HB2 H -1.910 -1.613 4.464 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 22 . 4807 . 1 1 13 . HB3 H -2.250 -0.298 3.342 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4808 . 1 1 13 . HD1 H -3.995 -2.290 6.160 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 22 . 4809 . 1 1 13 . HE1 H -5.775 -0.769 7.229 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4810 . 1 1 13 . HE3 H -3.604 1.734 3.032 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 22 . 4811 . 1 1 13 . HH2 H -6.652 3.711 5.277 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 22 . 4812 . 1 1 13 . HN1 H -3.978 -5.044 3.590 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 22 . 4813 . 1 1 13 . HN2 H -4.588 -4.229 5.051 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 22 . 4814 . 1 1 13 . HN3 H -2.882 -4.046 4.577 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 22 . 4815 . 1 1 13 . HZ2 H -6.869 1.798 6.801 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 22 . 4816 . 1 1 13 . HZ3 H -5.054 3.682 3.431 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 22 . 4817 . 1 1 13 . N N -4.251 -2.968 3.403 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 22 . 4818 . 1 1 13 . NE1 N -5.246 -0.519 6.443 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 22 . 4819 . 1 1 13 . O O -0.986 -3.111 2.991 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 22 . 4820 . 1 1 14 ARG C C -0.023 -3.753 0.136 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 22 . 4821 . 1 1 14 ARG CA C -1.212 -4.564 0.644 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 22 . 4822 . 1 1 14 ARG CB C -1.798 -5.397 -0.499 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 22 . 4823 . 1 1 14 ARG CD C -1.276 -7.755 0.195 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 22 . 4824 . 1 1 14 ARG CG C -2.373 -6.730 -0.048 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 22 . 4825 . 1 1 14 ARG CZ C 0.110 -8.573 2.054 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 22 . 4826 . 1 1 14 ARG H H -3.088 -3.592 0.743 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 22 . 4827 . 1 1 14 ARG HA H -0.872 -5.229 1.423 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 22 . 4828 . 1 1 14 ARG HB3 H -1.021 -5.591 -1.222 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 22 . 4829 . 1 1 14 ARG HD3 H -0.440 -7.527 -0.448 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 22 . 4830 . 1 1 14 ARG HE H -1.235 -7.107 2.194 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 22 . 4831 . 1 1 14 ARG HG3 H -3.038 -7.101 -0.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 22 . 4832 . 1 1 14 ARG HH11 H 0.417 -9.507 0.289 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 22 . 4833 . 1 1 14 ARG HH12 H 1.389 -10.073 1.607 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 22 . 4834 . 1 1 14 ARG HH21 H 0.037 -7.845 3.938 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 22 . 4835 . 1 1 14 ARG HH22 H 1.170 -9.128 3.682 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 22 . 4836 . 1 1 14 ARG N N -2.232 -3.693 1.211 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 22 . 4837 . 1 1 14 ARG NE N -0.823 -7.752 1.584 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 22 . 4838 . 1 1 14 ARG NH1 N 0.685 -9.458 1.250 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 22 . 4839 . 1 1 14 ARG NH2 N 0.468 -8.510 3.329 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 22 . 4840 . 1 1 14 ARG O O 0.023 -3.364 -1.030 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 23 . 4841 . 1 1 1 CYS C C 3.210 -2.796 -0.060 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 23 . 4842 . 1 1 1 CYS CA C 2.051 -1.886 0.334 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 23 . 4843 . 1 1 1 CYS CB C 2.500 -0.912 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 23 . 4844 . 1 1 1 CYS H1 H 0.722 -2.724 1.752 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 23 . 4845 . 1 1 1 CYS HA H 1.741 -1.321 -0.533 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 23 . 4846 . 1 1 1 CYS HB3 H 3.244 -0.244 1.019 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4847 . 1 1 1 CYS N N 0.908 -2.667 0.791 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 23 . 4848 . 1 1 1 CYS O O 3.235 -3.976 0.290 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 23 . 4849 . 1 1 1 CYS SG S 1.156 0.107 2.113 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 23 . 4850 . 1 1 2 THR C C 6.583 -2.594 -0.459 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 23 . 4851 . 1 1 2 THR CA C 5.333 -3.000 -1.233 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 23 . 4852 . 1 1 2 THR CB C 5.591 -2.807 -2.739 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 23 . 4853 . 1 1 2 THR CG2 C 6.199 -1.438 -3.014 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 23 . 4854 . 1 1 2 THR H H 4.096 -1.294 -1.038 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 23 . 4855 . 1 1 2 THR HA H 5.134 -4.046 -1.054 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 23 . 4856 . 1 1 2 THR HB H 4.648 -2.876 -3.262 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 23 . 4857 . 1 1 2 THR HG1 H 6.064 -4.272 -3.972 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 23 . 4858 . 1 1 2 THR HG21 H 5.883 -1.093 -3.986 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 23 . 4859 . 1 1 2 THR HG22 H 7.276 -1.513 -2.990 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 23 . 4860 . 1 1 2 THR HG23 H 5.870 -0.741 -2.258 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 23 . 4861 . 1 1 2 THR N N 4.171 -2.239 -0.791 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 23 . 4862 . 1 1 2 THR O O 7.699 -2.952 -0.833 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 23 . 4863 . 1 1 2 THR OG1 O 6.469 -3.829 -3.221 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 23 . 4864 . 1 1 3 ALA C C 8.579 -0.728 0.604 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 23 . 4865 . 1 1 3 ALA CA C 7.498 -1.395 1.450 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 23 . 4866 . 1 1 3 ALA CB C 8.083 -2.563 2.230 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 23 . 4867 . 1 1 3 ALA H H 5.473 -1.593 0.869 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 23 . 4868 . 1 1 3 ALA HA H 7.115 -0.676 2.159 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 23 . 4869 . 1 1 3 ALA HB1 H 8.995 -2.248 2.719 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 23 . 4870 . 1 1 3 ALA HB2 H 7.371 -2.892 2.973 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 23 . 4871 . 1 1 3 ALA HB3 H 8.299 -3.375 1.553 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4872 . 1 1 3 ALA N N 6.388 -1.846 0.622 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 23 . 4873 . 1 1 3 ALA O O 9.734 -1.151 0.609 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 23 . 4874 . 1 1 4 SER C C 9.428 2.423 -0.405 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 23 . 4875 . 1 1 4 SER CA C 9.127 1.040 -0.976 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 23 . 4876 . 1 1 4 SER CB C 8.559 1.173 -2.390 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 23 . 4877 . 1 1 4 SER H H 7.257 0.607 -0.083 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 23 . 4878 . 1 1 4 SER HA H 10.046 0.473 -1.018 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 23 . 4879 . 1 1 4 SER HB3 H 7.682 1.802 -2.366 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4880 . 1 1 4 SER HG H 9.299 1.504 -4.175 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 23 . 4881 . 1 1 4 SER N N 8.192 0.318 -0.122 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 23 . 4882 . 1 1 4 SER O O 8.843 2.833 0.597 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 23 . 4883 . 1 1 4 SER OG O 9.511 1.748 -3.270 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 23 . 4884 . 1 1 5 ILE C C 10.587 5.484 -1.741 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 23 . 4885 . 1 1 5 ILE CA C 10.722 4.472 -0.609 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 23 . 4886 . 1 1 5 ILE CB C 12.168 4.503 -0.080 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 23 . 4887 . 1 1 5 ILE CD1 C 12.132 7.047 -0.009 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 23 . 4888 . 1 1 5 ILE CG1 C 12.405 5.767 0.750 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 23 . 4889 . 1 1 5 ILE CG2 C 13.157 4.427 -1.234 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 23 . 4890 . 1 1 5 ILE H H 10.776 2.755 -1.844 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 23 . 4891 . 1 1 5 ILE HA H 10.060 4.758 0.196 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 23 . 4892 . 1 1 5 ILE HB H 12.316 3.636 0.547 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 23 . 4893 . 1 1 5 ILE HD11 H 11.074 7.264 0.018 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 23 . 4894 . 1 1 5 ILE HD12 H 12.679 7.858 0.446 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 23 . 4895 . 1 1 5 ILE HD13 H 12.448 6.930 -1.035 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 23 . 4896 . 1 1 5 ILE HG13 H 13.434 5.786 1.076 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 23 . 4897 . 1 1 5 ILE HG21 H 13.363 5.423 -1.596 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 23 . 4898 . 1 1 5 ILE HG22 H 14.075 3.973 -0.891 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 23 . 4899 . 1 1 5 ILE HG23 H 12.736 3.833 -2.030 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 23 . 4900 . 1 1 5 ILE N N 10.344 3.136 -1.051 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 23 . 4901 . 1 1 5 ILE O O 11.374 5.504 -2.688 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 23 . 4902 . 1 1 6 PRO C C 7.713 5.113 -0.544 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 23 . 4903 . 1 1 6 PRO CA C 8.622 6.336 -0.522 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 23 . 4904 . 1 1 6 PRO CB C 7.805 7.613 -0.730 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 23 . 4905 . 1 1 6 PRO CD C 9.254 7.405 -2.621 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 23 . 4906 . 1 1 6 PRO CG C 7.894 7.886 -2.192 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 23 . 4907 . 1 1 6 PRO HA H 9.134 6.385 0.429 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 23 . 4908 . 1 1 6 PRO HB3 H 8.235 8.418 -0.152 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4909 . 1 1 6 PRO HD3 H 9.974 8.209 -2.562 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 23 . 4910 . 1 1 6 PRO HG3 H 7.797 8.945 -2.374 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 23 . 4911 . 1 1 6 PRO N N 9.566 6.349 -1.643 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 23 . 4912 . 1 1 6 PRO O O 7.649 4.374 -1.527 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 23 . 4913 . 1 1 7 PRO C C 4.840 3.902 -0.194 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 23 . 4914 . 1 1 7 PRO CA C 6.070 3.757 0.696 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 23 . 4915 . 1 1 7 PRO CB C 5.669 3.796 2.172 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 23 . 4916 . 1 1 7 PRO CD C 7.017 5.729 1.774 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 23 . 4917 . 1 1 7 PRO CG C 5.854 5.218 2.579 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 23 . 4918 . 1 1 7 PRO HA H 6.561 2.820 0.478 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 23 . 4919 . 1 1 7 PRO HB3 H 6.308 3.136 2.740 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4920 . 1 1 7 PRO HD3 H 7.941 5.593 2.318 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 23 . 4921 . 1 1 7 PRO HG3 H 6.076 5.272 3.634 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 23 . 4922 . 1 1 7 PRO N N 6.991 4.890 0.565 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 23 . 4923 . 1 1 7 PRO O O 4.212 4.961 -0.231 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 23 . 4924 . 1 1 8 ILE C C 2.352 1.753 -1.414 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 23 . 4925 . 1 1 8 ILE CA C 3.348 2.843 -1.797 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 23 . 4926 . 1 1 8 ILE CB C 3.766 2.648 -3.265 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 23 . 4927 . 1 1 8 ILE CD1 C 4.556 0.907 -4.946 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 23 . 4928 . 1 1 8 ILE CG1 C 4.032 1.169 -3.550 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 23 . 4929 . 1 1 8 ILE CG2 C 4.996 3.485 -3.582 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 23 . 4930 . 1 1 8 ILE H H 5.043 2.020 -0.835 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 23 . 4931 . 1 1 8 ILE HA H 2.865 3.806 -1.705 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 23 . 4932 . 1 1 8 ILE HB H 2.957 2.988 -3.895 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 23 . 4933 . 1 1 8 ILE HD11 H 4.403 1.782 -5.559 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 23 . 4934 . 1 1 8 ILE HD12 H 5.611 0.681 -4.898 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 23 . 4935 . 1 1 8 ILE HD13 H 4.028 0.069 -5.377 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 23 . 4936 . 1 1 8 ILE HG13 H 3.113 0.615 -3.433 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 23 . 4937 . 1 1 8 ILE HG21 H 5.836 3.121 -3.007 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 23 . 4938 . 1 1 8 ILE HG22 H 5.222 3.408 -4.636 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 23 . 4939 . 1 1 8 ILE HG23 H 4.806 4.516 -3.328 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 23 . 4940 . 1 1 8 ILE N N 4.504 2.834 -0.909 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 23 . 4941 . 1 1 8 ILE O O 2.739 0.650 -1.025 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 23 . 4942 . 1 1 9 CYS C C -0.939 0.925 -2.374 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 23 . 4943 . 1 1 9 CYS CA C 0.012 1.118 -1.196 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 23 . 4944 . 1 1 9 CYS CB C -0.766 1.595 0.031 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 23 . 4945 . 1 1 9 CYS H H 0.818 2.964 -1.843 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 23 . 4946 . 1 1 9 CYS HA H 0.480 0.171 -0.968 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 23 . 4947 . 1 1 9 CYS HB3 H -1.557 0.890 0.243 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4948 . 1 1 9 CYS N N 1.066 2.068 -1.528 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 23 . 4949 . 1 1 9 CYS O O -1.421 1.894 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 23 . 4950 . 1 1 9 CYS SG S 0.245 1.765 1.536 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 23 . 4951 . 1 1 10 HIS C C -3.360 -1.342 -3.319 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 23 . 4952 . 1 1 10 HIS CA C -2.096 -0.652 -3.822 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 23 . 4953 . 1 1 10 HIS CB C -1.385 -1.544 -4.839 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 23 . 4954 . 1 1 10 HIS CD2 C -1.537 -3.836 -3.634 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 23 . 4955 . 1 1 10 HIS CE1 C 0.586 -4.376 -3.702 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 23 . 4956 . 1 1 10 HIS CG C -0.881 -2.830 -4.259 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 23 . 4957 . 1 1 10 HIS H H -0.787 -1.061 -2.210 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 23 . 4958 . 1 1 10 HIS HA H -2.375 0.275 -4.302 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 23 . 4959 . 1 1 10 HIS HB3 H -0.538 -1.009 -5.247 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4960 . 1 1 10 HIS HD1 H 1.179 -2.676 -4.675 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 23 . 4961 . 1 1 10 HIS HD2 H -2.599 -3.884 -3.436 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 23 . 4962 . 1 1 10 HIS HE1 H 1.514 -4.914 -3.577 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 23 . 4963 . 1 1 10 HIS N N -1.203 -0.332 -2.715 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 23 . 4964 . 1 1 10 HIS ND1 N 0.447 -3.199 -4.286 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 23 . 4965 . 1 1 10 HIS NE2 N -0.604 -4.784 -3.298 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 23 . 4966 . 1 1 10 HIS O O -3.969 -2.141 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 23 . 4967 . 1 1 11 . C C -5.131 -1.128 -0.057 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 23 . 4968 . 1 1 11 . CA C -4.939 -1.623 -1.488 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 23 . 4969 . 1 1 11 . CB C -6.176 -1.290 -2.325 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 23 . 4970 . 1 1 11 . CD1 C -6.118 0.289 -4.274 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 23 . 4971 . 1 1 11 . CD2 C -6.166 1.208 -2.073 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 23 . 4972 . 1 1 11 . CE1 C -6.098 1.564 -4.808 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 23 . 4973 . 1 1 11 . CE2 C -6.147 2.483 -2.602 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 23 . 4974 . 1 1 11 . CG C -6.153 0.097 -2.902 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 23 . 4975 . 1 1 11 . CZ C -6.111 2.663 -3.971 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 23 . 4976 . 1 1 11 . H H -3.220 -0.388 -1.568 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 23 . 4977 . 1 1 11 . HA H -4.804 -2.693 -1.470 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 23 . 4978 . 1 1 11 . HB2 H -7.056 -1.376 -1.704 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 23 . 4979 . 1 1 11 . HB3 H -6.246 -1.991 -3.143 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 4980 . 1 1 11 . HD1 H -6.106 -0.568 -4.929 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 23 . 4981 . 1 1 11 . HD2 H -6.194 1.068 -1.002 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 23 . 4982 . 1 1 11 . HE1 H -6.070 1.701 -5.879 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 23 . 4983 . 1 1 11 . HE2 H -6.157 3.340 -1.944 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 23 . 4984 . 1 1 11 . HZ H -6.096 3.659 -4.385 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 23 . 4985 . 1 1 11 . N N -3.747 -1.032 -2.086 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 23 . 4986 . 1 1 11 . O O -4.667 -0.046 0.304 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 23 . 4987 . 1 1 12 MMO C C -5.847 -2.771 3.060 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 23 . 4988 . 1 1 12 MMO CA C -6.070 -1.572 2.143 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 23 . 4989 . 1 1 12 MMO CB C -7.499 -1.051 2.308 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 23 . 4990 . 1 1 12 MMO CD C -8.994 0.962 2.495 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 23 . 4991 . 1 1 12 MMO CG C -7.635 0.442 2.053 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 23 . 4992 . 1 1 12 MMO CN C -6.332 -3.202 0.233 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 23 . 4993 . 1 1 12 MMO CZ C -10.489 0.694 4.428 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 23 . 4994 . 1 1 12 MMO HA H -5.378 -0.791 2.418 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 23 . 4995 . 1 1 12 MMO HC1 H -6.964 -3.013 -0.636 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 23 . 4996 . 1 1 12 MMO HC2 H -6.920 -3.698 1.006 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 23 . 4997 . 1 1 12 MMO HC3 H -5.499 -3.841 -0.055 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 23 . 4998 . 1 1 12 MMO HCB1 H -8.141 -1.571 1.613 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 23 . 4999 . 1 1 12 MMO HCB2 H -7.830 -1.254 3.314 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 23 . 5000 . 1 1 12 MMO HCD1 H -9.011 2.035 2.375 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 23 . 5001 . 1 1 12 MMO HCD2 H -9.755 0.517 1.870 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 23 . 5002 . 1 1 12 MMO HCG1 H -6.865 0.964 2.604 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 23 . 5003 . 1 1 12 MMO HCG2 H -7.514 0.630 0.997 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 23 . 5004 . 1 1 12 MMO HH11 H -9.886 0.102 6.264 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 23 . 5005 . 1 1 12 MMO HH12 H -11.579 0.426 6.109 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 23 . 5006 . 1 1 12 MMO HH21 H -11.397 1.298 2.728 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 23 . 5007 . 1 1 12 MMO HH22 H -12.440 1.106 4.098 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 23 . 5008 . 1 1 12 MMO N N -5.817 -1.928 0.753 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 23 . 5009 . 1 1 12 MMO NE N -9.277 0.635 3.891 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 23 . 5010 . 1 1 12 MMO NH1 N -10.666 0.381 5.706 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 23 . 5011 . 1 1 12 MMO NH2 N -11.527 1.064 3.691 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 23 . 5012 . 1 1 12 MMO O O -6.800 -3.424 3.488 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 23 . 5013 . 1 1 13 . C C -2.306 -3.152 2.440 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 23 . 5014 . 1 1 13 . CA C -3.479 -2.261 2.834 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 23 . 5015 . 1 1 13 . CB C -3.028 -1.232 3.872 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 23 . 5016 . 1 1 13 . CD1 C -4.812 -1.229 5.711 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 23 . 5017 . 1 1 13 . CD2 C -4.773 0.631 4.462 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 23 . 5018 . 1 1 13 . CE2 C -5.790 0.758 5.428 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 23 . 5019 . 1 1 13 . CE3 C -4.561 1.680 3.564 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 23 . 5020 . 1 1 13 . CG C -4.160 -0.648 4.661 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 23 . 5021 . 1 1 13 . CH2 C -6.363 2.906 4.626 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 23 . 5022 . 1 1 13 . CN2 C -4.295 -4.197 4.235 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 23 . 5023 . 1 1 13 . CZ2 C -6.592 1.895 5.518 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 23 . 5024 . 1 1 13 . CZ3 C -5.358 2.805 3.655 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 23 . 5025 . 1 1 13 . HA H -3.832 -1.741 1.955 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 23 . 5026 . 1 1 13 . HB2 H -2.346 -1.703 4.565 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 23 . 5027 . 1 1 13 . HB3 H -2.519 -0.422 3.366 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 5028 . 1 1 13 . HD1 H -4.580 -2.207 6.104 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 23 . 5029 . 1 1 13 . HE1 H -6.400 -0.580 6.924 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 23 . 5030 . 1 1 13 . HE3 H -3.791 1.622 2.809 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 23 . 5031 . 1 1 13 . HH2 H -6.961 3.803 4.660 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 23 . 5032 . 1 1 13 . HN1 H -4.136 -5.090 3.631 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 23 . 5033 . 1 1 13 . HN2 H -5.133 -4.360 4.912 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 23 . 5034 . 1 1 13 . HN3 H -3.395 -3.989 4.817 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 23 . 5035 . 1 1 13 . HZ2 H -7.372 1.987 6.261 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 23 . 5036 . 1 1 13 . HZ3 H -5.209 3.627 2.968 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 23 . 5037 . 1 1 13 . N N -4.585 -3.054 3.357 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 23 . 5038 . 1 1 13 . NE1 N -5.795 -0.389 6.176 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 23 . 5039 . 1 1 13 . O O -1.594 -3.672 3.300 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 23 . 5040 . 1 1 14 ARG C C 0.052 -3.299 -0.027 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 23 . 5041 . 1 1 14 ARG CA C -1.026 -4.155 0.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 23 . 5042 . 1 1 14 ARG CB C -1.562 -5.178 -0.373 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 23 . 5043 . 1 1 14 ARG CD C -3.196 -7.031 -0.838 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 23 . 5044 . 1 1 14 ARG CG C -2.545 -6.166 0.231 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 23 . 5045 . 1 1 14 ARG CZ C -2.709 -9.101 -2.070 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 23 . 5046 . 1 1 14 ARG H H -2.713 -2.885 0.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 23 . 5047 . 1 1 14 ARG HA H -0.592 -4.680 1.468 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 23 . 5048 . 1 1 14 ARG HB3 H -0.730 -5.733 -0.781 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 23 . 5049 . 1 1 14 ARG HD3 H -3.234 -6.469 -1.760 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 23 . 5050 . 1 1 14 ARG HE H -1.734 -8.489 -0.442 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 23 . 5051 . 1 1 14 ARG HG3 H -3.314 -5.620 0.758 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 23 . 5052 . 1 1 14 ARG HH11 H -4.221 -7.995 -2.829 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 23 . 5053 . 1 1 14 ARG HH12 H -3.868 -9.458 -3.688 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 23 . 5054 . 1 1 14 ARG HH21 H -1.260 -10.416 -1.565 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 23 . 5055 . 1 1 14 ARG HH22 H -2.184 -10.834 -2.967 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 23 . 5056 . 1 1 14 ARG N N -2.112 -3.326 1.137 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 23 . 5057 . 1 1 14 ARG NE N -2.456 -8.268 -1.067 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 23 . 5058 . 1 1 14 ARG NH1 N -3.680 -8.830 -2.933 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 23 . 5059 . 1 1 14 ARG NH2 N -1.992 -10.208 -2.213 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 23 . 5060 . 1 1 14 ARG O O -0.015 -3.006 -1.220 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 1 . 24 . 5061 . 1 1 1 CYS C C 3.516 -2.877 -0.923 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30381_6bvw 1 . 24 . 5062 . 1 1 1 CYS CA C 2.591 -1.895 -0.210 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30381_6bvw 1 . 24 . 5063 . 1 1 1 CYS CB C 3.373 -1.122 0.855 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30381_6bvw 1 . 24 . 5064 . 1 1 1 CYS H1 H 1.389 -2.617 1.375 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30381_6bvw 1 . 24 . 5065 . 1 1 1 CYS HA H 2.198 -1.198 -0.934 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30381_6bvw 1 . 24 . 5066 . 1 1 1 CYS HB3 H 4.336 -0.845 0.451 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5067 . 1 1 1 CYS N N 1.464 -2.591 0.398 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30381_6bvw 1 . 24 . 5068 . 1 1 1 CYS O O 3.551 -4.063 -0.599 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30381_6bvw 1 . 24 . 5069 . 1 1 1 CYS SG S 2.550 0.402 1.420 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30381_6bvw 1 . 24 . 5070 . 1 1 2 THR C C 6.264 -2.356 -3.333 . . . 1.0 . . . . . . . . . . . . A . 2 THR C . . . . . . . . . c30381_6bvw 1 . 24 . 5071 . 1 1 2 THR CA C 5.190 -3.203 -2.661 . . . 1.0 . . . . . . . . . . . . A . 2 THR CA . . . . . . . . . c30381_6bvw 1 . 24 . 5072 . 1 1 2 THR CB C 4.453 -4.025 -3.735 . . . 1.0 . . . . . . . . . . . . A . 2 THR CB . . . . . . . . . c30381_6bvw 1 . 24 . 5073 . 1 1 2 THR CG2 C 3.934 -3.124 -4.844 . . . 1.0 . . . . . . . . . . . . A . 2 THR CG2 . . . . . . . . . c30381_6bvw 1 . 24 . 5074 . 1 1 2 THR H H 4.192 -1.419 -2.112 . . . 1.0 . . . . . . . . . . . . A . 2 THR H . . . . . . . . . c30381_6bvw 1 . 24 . 5075 . 1 1 2 THR HA H 5.664 -3.889 -1.974 . . . 1.0 . . . . . . . . . . . . A . 2 THR HA . . . . . . . . . c30381_6bvw 1 . 24 . 5076 . 1 1 2 THR HB H 3.613 -4.523 -3.272 . . . 1.0 . . . . . . . . . . . . A . 2 THR HB . . . . . . . . . c30381_6bvw 1 . 24 . 5077 . 1 1 2 THR HG1 H 5.984 -4.580 -4.846 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG1 . . . . . . . . . c30381_6bvw 1 . 24 . 5078 . 1 1 2 THR HG21 H 4.528 -3.268 -5.734 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG21 . . . . . . . . . c30381_6bvw 1 . 24 . 5079 . 1 1 2 THR HG22 H 4.000 -2.091 -4.531 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG22 . . . . . . . . . c30381_6bvw 1 . 24 . 5080 . 1 1 2 THR HG23 H 2.904 -3.370 -5.056 . . . 1.0 . . . . . . . . . . . . A . 2 THR HG23 . . . . . . . . . c30381_6bvw 1 . 24 . 5081 . 1 1 2 THR N N 4.266 -2.372 -1.900 . . . 1.0 . . . . . . . . . . . . A . 2 THR N . . . . . . . . . c30381_6bvw 1 . 24 . 5082 . 1 1 2 THR O O 6.858 -2.767 -4.330 . . . 1.0 . . . . . . . . . . . . A . 2 THR O . . . . . . . . . c30381_6bvw 1 . 24 . 5083 . 1 1 2 THR OG1 O 5.333 -5.011 -4.286 . . . 1.0 . . . . . . . . . . . . A . 2 THR OG1 . . . . . . . . . c30381_6bvw 1 . 24 . 5084 . 1 1 3 ALA C C 8.325 0.387 -2.214 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c30381_6bvw 1 . 24 . 5085 . 1 1 3 ALA CA C 7.515 -0.268 -3.327 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c30381_6bvw 1 . 24 . 5086 . 1 1 3 ALA CB C 6.855 0.791 -4.197 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c30381_6bvw 1 . 24 . 5087 . 1 1 3 ALA H H 6.003 -0.900 -1.988 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c30381_6bvw 1 . 24 . 5088 . 1 1 3 ALA HA H 8.180 -0.847 -3.950 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c30381_6bvw 1 . 24 . 5089 . 1 1 3 ALA HB1 H 6.028 0.350 -4.733 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c30381_6bvw 1 . 24 . 5090 . 1 1 3 ALA HB2 H 6.495 1.595 -3.573 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c30381_6bvw 1 . 24 . 5091 . 1 1 3 ALA HB3 H 7.576 1.178 -4.901 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5092 . 1 1 3 ALA N N 6.509 -1.172 -2.782 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c30381_6bvw 1 . 24 . 5093 . 1 1 3 ALA O O 7.787 0.734 -1.163 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c30381_6bvw 1 . 24 . 5094 . 1 1 4 SER C C 10.127 2.618 -1.221 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c30381_6bvw 1 . 24 . 5095 . 1 1 4 SER CA C 10.508 1.162 -1.467 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c30381_6bvw 1 . 24 . 5096 . 1 1 4 SER CB C 11.962 1.077 -1.935 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c30381_6bvw 1 . 24 . 5097 . 1 1 4 SER H H 9.993 0.254 -3.309 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c30381_6bvw 1 . 24 . 5098 . 1 1 4 SER HA H 10.403 0.614 -0.542 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c30381_6bvw 1 . 24 . 5099 . 1 1 4 SER HB3 H 12.580 1.696 -1.300 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5100 . 1 1 4 SER HG H 11.978 -0.731 -1.179 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c30381_6bvw 1 . 24 . 5101 . 1 1 4 SER N N 9.624 0.552 -2.452 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c30381_6bvw 1 . 24 . 5102 . 1 1 4 SER O O 9.383 3.217 -2.001 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c30381_6bvw 1 . 24 . 5103 . 1 1 4 SER OG O 12.439 -0.258 -1.876 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c30381_6bvw 1 . 24 . 5104 . 1 1 5 ILE C C 10.602 5.497 -0.973 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c30381_6bvw 1 . 24 . 5105 . 1 1 5 ILE CA C 10.356 4.570 0.214 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c30381_6bvw 1 . 24 . 5106 . 1 1 5 ILE CB C 11.213 5.040 1.404 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c30381_6bvw 1 . 24 . 5107 . 1 1 5 ILE CD1 C 10.920 7.567 1.380 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5108 . 1 1 5 ILE CG1 C 10.578 6.264 2.066 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 24 . 5109 . 1 1 5 ILE CG2 C 12.630 5.354 0.945 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 24 . 5110 . 1 1 5 ILE H H 11.227 2.655 0.447 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c30381_6bvw 1 . 24 . 5111 . 1 1 5 ILE HA H 9.315 4.635 0.497 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c30381_6bvw 1 . 24 . 5112 . 1 1 5 ILE HB H 11.264 4.235 2.122 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c30381_6bvw 1 . 24 . 5113 . 1 1 5 ILE HD11 H 10.120 8.276 1.533 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 24 . 5114 . 1 1 5 ILE HD12 H 11.835 7.963 1.793 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 24 . 5115 . 1 1 5 ILE HD13 H 11.049 7.394 0.321 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 24 . 5116 . 1 1 5 ILE HG13 H 10.919 6.326 3.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 24 . 5117 . 1 1 5 ILE HG21 H 12.611 6.200 0.273 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 24 . 5118 . 1 1 5 ILE HG22 H 13.242 5.589 1.802 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 24 . 5119 . 1 1 5 ILE HG23 H 13.041 4.498 0.432 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 24 . 5120 . 1 1 5 ILE N N 10.641 3.183 -0.134 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c30381_6bvw 1 . 24 . 5121 . 1 1 5 ILE O O 11.668 5.489 -1.587 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c30381_6bvw 1 . 24 . 5122 . 1 1 6 PRO C C 7.498 5.068 -0.816 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c30381_6bvw 1 . 24 . 5123 . 1 1 6 PRO CA C 8.317 6.332 -0.578 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c30381_6bvw 1 . 24 . 5124 . 1 1 6 PRO CB C 7.597 7.552 -1.158 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c30381_6bvw 1 . 24 . 5125 . 1 1 6 PRO CD C 9.617 7.288 -2.408 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c30381_6bvw 1 . 24 . 5126 . 1 1 6 PRO CG C 8.184 7.730 -2.515 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c30381_6bvw 1 . 24 . 5127 . 1 1 6 PRO HA H 8.466 6.470 0.483 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c30381_6bvw 1 . 24 . 5128 . 1 1 6 PRO HB3 H 7.780 8.413 -0.533 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5129 . 1 1 6 PRO HD3 H 10.254 8.126 -2.169 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 24 . 5130 . 1 1 6 PRO HG3 H 8.133 8.770 -2.803 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 24 . 5131 . 1 1 6 PRO N N 9.593 6.316 -1.303 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c30381_6bvw 1 . 24 . 5132 . 1 1 6 PRO O O 7.377 4.581 -1.941 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c30381_6bvw 1 . 24 . 5133 . 1 1 7 PRO C C 4.776 3.542 -0.510 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c30381_6bvw 1 . 24 . 5134 . 1 1 7 PRO CA C 6.106 3.308 0.199 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c30381_6bvw 1 . 24 . 5135 . 1 1 7 PRO CB C 5.872 2.955 1.671 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c30381_6bvw 1 . 24 . 5136 . 1 1 7 PRO CD C 7.027 5.048 1.637 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c30381_6bvw 1 . 24 . 5137 . 1 1 7 PRO CG C 6.001 4.253 2.394 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c30381_6bvw 1 . 24 . 5138 . 1 1 7 PRO HA H 6.634 2.499 -0.286 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c30381_6bvw 1 . 24 . 5139 . 1 1 7 PRO HB3 H 6.616 2.246 1.998 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5140 . 1 1 7 PRO HD3 H 8.013 4.876 2.041 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c30381_6bvw 1 . 24 . 5141 . 1 1 7 PRO HG3 H 6.337 4.076 3.406 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c30381_6bvw 1 . 24 . 5142 . 1 1 7 PRO N N 6.923 4.522 0.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c30381_6bvw 1 . 24 . 5143 . 1 1 7 PRO O O 4.009 4.428 -0.133 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c30381_6bvw 1 . 24 . 5144 . 1 1 8 ILE C C 2.363 1.662 -2.061 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c30381_6bvw 1 . 24 . 5145 . 1 1 8 ILE CA C 3.273 2.863 -2.299 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c30381_6bvw 1 . 24 . 5146 . 1 1 8 ILE CB C 3.551 2.991 -3.809 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c30381_6bvw 1 . 24 . 5147 . 1 1 8 ILE CD1 C 1.069 3.223 -4.327 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5148 . 1 1 8 ILE CG1 C 2.454 3.816 -4.483 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c30381_6bvw 1 . 24 . 5149 . 1 1 8 ILE CG2 C 3.654 1.614 -4.448 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c30381_6bvw 1 . 24 . 5150 . 1 1 8 ILE H H 5.163 2.056 -1.791 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c30381_6bvw 1 . 24 . 5151 . 1 1 8 ILE HA H 2.766 3.757 -1.969 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c30381_6bvw 1 . 24 . 5152 . 1 1 8 ILE HB H 4.498 3.493 -3.937 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c30381_6bvw 1 . 24 . 5153 . 1 1 8 ILE HD11 H 1.152 2.166 -4.125 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c30381_6bvw 1 . 24 . 5154 . 1 1 8 ILE HD12 H 0.559 3.708 -3.509 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c30381_6bvw 1 . 24 . 5155 . 1 1 8 ILE HD13 H 0.510 3.372 -5.240 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c30381_6bvw 1 . 24 . 5156 . 1 1 8 ILE HG13 H 2.665 3.891 -5.539 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c30381_6bvw 1 . 24 . 5157 . 1 1 8 ILE HG21 H 2.674 1.162 -4.488 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c30381_6bvw 1 . 24 . 5158 . 1 1 8 ILE HG22 H 4.045 1.710 -5.448 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c30381_6bvw 1 . 24 . 5159 . 1 1 8 ILE HG23 H 4.313 0.992 -3.860 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c30381_6bvw 1 . 24 . 5160 . 1 1 8 ILE N N 4.511 2.742 -1.539 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c30381_6bvw 1 . 24 . 5161 . 1 1 8 ILE O O 2.780 0.514 -2.211 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c30381_6bvw 1 . 24 . 5162 . 1 1 9 CYS C C -0.901 0.822 -2.541 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . c30381_6bvw 1 . 24 . 5163 . 1 1 9 CYS CA C 0.146 0.880 -1.433 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . c30381_6bvw 1 . 24 . 5164 . 1 1 9 CYS CB C -0.537 1.106 -0.082 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . c30381_6bvw 1 . 24 . 5165 . 1 1 9 CYS H H 0.843 2.873 -1.588 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . c30381_6bvw 1 . 24 . 5166 . 1 1 9 CYS HA H 0.676 -0.059 -1.405 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . c30381_6bvw 1 . 24 . 5167 . 1 1 9 CYS HB3 H -1.456 0.539 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5168 . 1 1 9 CYS N N 1.116 1.937 -1.690 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . c30381_6bvw 1 . 24 . 5169 . 1 1 9 CYS O O -1.209 1.833 -3.173 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . c30381_6bvw 1 . 24 . 5170 . 1 1 9 CYS SG S 0.469 0.607 1.352 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . c30381_6bvw 1 . 24 . 5171 . 1 1 10 HIS C C -3.692 -1.256 -3.232 . . . 1.0 . . . . . . . . . . . . A . 10 HIS C . . . . . . . . . c30381_6bvw 1 . 24 . 5172 . 1 1 10 HIS CA C -2.460 -0.559 -3.801 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CA . . . . . . . . . c30381_6bvw 1 . 24 . 5173 . 1 1 10 HIS CB C -1.889 -1.374 -4.963 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CB . . . . . . . . . c30381_6bvw 1 . 24 . 5174 . 1 1 10 HIS CD2 C 0.349 -2.389 -4.136 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5175 . 1 1 10 HIS CE1 C -0.262 -4.493 -4.056 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5176 . 1 1 10 HIS CG C -0.944 -2.453 -4.530 . . . 1.0 . . . . . . . . . . . . A . 10 HIS CG . . . . . . . . . c30381_6bvw 1 . 24 . 5177 . 1 1 10 HIS H H -1.160 -1.136 -2.234 . . . 1.0 . . . . . . . . . . . . A . 10 HIS H . . . . . . . . . c30381_6bvw 1 . 24 . 5178 . 1 1 10 HIS HA H -2.749 0.415 -4.167 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HA . . . . . . . . . c30381_6bvw 1 . 24 . 5179 . 1 1 10 HIS HB3 H -1.357 -0.714 -5.632 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5180 . 1 1 10 HIS HD1 H -2.176 -4.153 -4.694 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5181 . 1 1 10 HIS HD2 H 0.955 -1.498 -4.063 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5182 . 1 1 10 HIS HE1 H -0.245 -5.564 -3.913 . . . 1.0 . . . . . . . . . . . . A . 10 HIS HE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5183 . 1 1 10 HIS N N -1.446 -0.368 -2.771 . . . 1.0 . . . . . . . . . . . . A . 10 HIS N . . . . . . . . . c30381_6bvw 1 . 24 . 5184 . 1 1 10 HIS ND1 N -1.297 -3.785 -4.470 . . . 1.0 . . . . . . . . . . . . A . 10 HIS ND1 . . . . . . . . . c30381_6bvw 1 . 24 . 5185 . 1 1 10 HIS NE2 N 0.751 -3.671 -3.847 . . . 1.0 . . . . . . . . . . . . A . 10 HIS NE2 . . . . . . . . . c30381_6bvw 1 . 24 . 5186 . 1 1 10 HIS O O -4.334 -2.056 -3.911 . . . 1.0 . . . . . . . . . . . . A . 10 HIS O . . . . . . . . . c30381_6bvw 1 . 24 . 5187 . 1 1 11 . C C -5.242 -1.108 0.142 . . . 1.0 . . . . . . . . . . . . A . 11 DPN C . . . . . . . . . c30381_6bvw 1 . 24 . 5188 . 1 1 11 . CA C -5.167 -1.544 -1.318 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CA . . . . . . . . . c30381_6bvw 1 . 24 . 5189 . 1 1 11 . CB C -6.456 -1.154 -2.045 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CB . . . . . . . . . c30381_6bvw 1 . 24 . 5190 . 1 1 11 . CD1 C -6.138 1.310 -1.694 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5191 . 1 1 11 . CD2 C -8.291 0.374 -1.276 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5192 . 1 1 11 . CE1 C -6.610 2.561 -1.343 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5193 . 1 1 11 . CE2 C -8.768 1.623 -0.925 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CE2 . . . . . . . . . c30381_6bvw 1 . 24 . 5194 . 1 1 11 . CG C -6.972 0.204 -1.664 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CG . . . . . . . . . c30381_6bvw 1 . 24 . 5195 . 1 1 11 . CZ C -7.927 2.717 -0.960 . . . 1.0 . . . . . . . . . . . . A . 11 DPN CZ . . . . . . . . . c30381_6bvw 1 . 24 . 5196 . 1 1 11 . H H -3.461 -0.301 -1.490 . . . 1.0 . . . . . . . . . . . . A . 11 DPN H . . . . . . . . . c30381_6bvw 1 . 24 . 5197 . 1 1 11 . HA H -5.052 -2.616 -1.356 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HA . . . . . . . . . c30381_6bvw 1 . 24 . 5198 . 1 1 11 . HB2 H -7.225 -1.877 -1.812 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB2 . . . . . . . . . c30381_6bvw 1 . 24 . 5199 . 1 1 11 . HB3 H -6.274 -1.157 -3.108 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5200 . 1 1 11 . HD1 H -5.107 1.188 -1.994 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5201 . 1 1 11 . HD2 H -8.951 -0.480 -1.250 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5202 . 1 1 11 . HE1 H -5.949 3.415 -1.373 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5203 . 1 1 11 . HE2 H -9.798 1.743 -0.625 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HE2 . . . . . . . . . c30381_6bvw 1 . 24 . 5204 . 1 1 11 . HZ H -8.298 3.694 -0.686 . . . 1.0 . . . . . . . . . . . . A . 11 DPN HZ . . . . . . . . . c30381_6bvw 1 . 24 . 5205 . 1 1 11 . N N -4.012 -0.947 -1.979 . . . 1.0 . . . . . . . . . . . . A . 11 DPN N . . . . . . . . . c30381_6bvw 1 . 24 . 5206 . 1 1 11 . O O -4.794 -0.018 0.500 . . . 1.0 . . . . . . . . . . . . A . 11 DPN O . . . . . . . . . c30381_6bvw 1 . 24 . 5207 . 1 1 12 MMO C C -5.556 -2.882 3.248 . . . 1.0 . . . . . . . . . . . . A . 12 MMO C . . . . . . . . . c30381_6bvw 1 . 24 . 5208 . 1 1 12 MMO CA C -5.943 -1.672 2.403 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CA . . . . . . . . . c30381_6bvw 1 . 24 . 5209 . 1 1 12 MMO CB C -7.378 -1.250 2.726 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CB . . . . . . . . . c30381_6bvw 1 . 24 . 5210 . 1 1 12 MMO CD C -8.787 0.766 3.241 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CD . . . . . . . . . c30381_6bvw 1 . 24 . 5211 . 1 1 12 MMO CG C -7.682 0.196 2.368 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CG . . . . . . . . . c30381_6bvw 1 . 24 . 5212 . 1 1 12 MMO CN C -6.316 -3.246 0.465 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CN . . . . . . . . . c30381_6bvw 1 . 24 . 5213 . 1 1 12 MMO CZ C -10.878 -0.243 2.431 . . . 1.0 . . . . . . . . . . . . A . 12 MMO CZ . . . . . . . . . c30381_6bvw 1 . 24 . 5214 . 1 1 12 MMO HA H -5.275 -0.857 2.638 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HA . . . . . . . . . c30381_6bvw 1 . 24 . 5215 . 1 1 12 MMO HC1 H -5.486 -3.841 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC1 . . . . . . . . . c30381_6bvw 1 . 24 . 5216 . 1 1 12 MMO HC2 H -7.023 -3.056 -0.342 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC2 . . . . . . . . . c30381_6bvw 1 . 24 . 5217 . 1 1 12 MMO HC3 H -6.816 -3.790 1.266 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HC3 . . . . . . . . . c30381_6bvw 1 . 24 . 5218 . 1 1 12 MMO HCB1 H -8.059 -1.884 2.180 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB1 . . . . . . . . . c30381_6bvw 1 . 24 . 5219 . 1 1 12 MMO HCB2 H -7.549 -1.378 3.785 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCB2 . . . . . . . . . c30381_6bvw 1 . 24 . 5220 . 1 1 12 MMO HCD1 H -8.391 0.949 4.228 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5221 . 1 1 12 MMO HCD2 H -9.125 1.697 2.810 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5222 . 1 1 12 MMO HCG1 H -6.788 0.787 2.508 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG1 . . . . . . . . . c30381_6bvw 1 . 24 . 5223 . 1 1 12 MMO HCG2 H -7.989 0.243 1.334 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HCG2 . . . . . . . . . c30381_6bvw 1 . 24 . 5224 . 1 1 12 MMO HH11 H -11.918 -1.667 3.419 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH11 . . . . . . . . . c30381_6bvw 1 . 24 . 5225 . 1 1 12 MMO HH12 H -12.597 -1.169 1.907 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH12 . . . . . . . . . c30381_6bvw 1 . 24 . 5226 . 1 1 12 MMO HH21 H -10.078 1.154 1.210 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH21 . . . . . . . . . c30381_6bvw 1 . 24 . 5227 . 1 1 12 MMO HH22 H -11.551 0.434 0.649 . . . 1.0 . . . . . . . . . . . . A . 12 MMO HH22 . . . . . . . . . c30381_6bvw 1 . 24 . 5228 . 1 1 12 MMO N N -5.809 -1.967 0.983 . . . 1.0 . . . . . . . . . . . . A . 12 MMO N . . . . . . . . . c30381_6bvw 1 . 24 . 5229 . 1 1 12 MMO NE N -9.924 -0.145 3.349 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NE . . . . . . . . . c30381_6bvw 1 . 24 . 5230 . 1 1 12 MMO NH1 N -11.880 -1.096 2.600 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH1 . . . . . . . . . c30381_6bvw 1 . 24 . 5231 . 1 1 12 MMO NH2 N -10.833 0.511 1.341 . . . 1.0 . . . . . . . . . . . . A . 12 MMO NH2 . . . . . . . . . c30381_6bvw 1 . 24 . 5232 . 1 1 12 MMO O O -6.417 -3.627 3.715 . . . 1.0 . . . . . . . . . . . . A . 12 MMO O . . . . . . . . . c30381_6bvw 1 . 24 . 5233 . 1 1 13 . C C -2.036 -2.941 2.392 . . . 1.0 . . . . . . . . . . . . A . 13 E9M C . . . . . . . . . c30381_6bvw 1 . 24 . 5234 . 1 1 13 . CA C -3.260 -2.168 2.873 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CA . . . . . . . . . c30381_6bvw 1 . 24 . 5235 . 1 1 13 . CB C -2.844 -1.121 3.905 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CB . . . . . . . . . c30381_6bvw 1 . 24 . 5236 . 1 1 13 . CD1 C -4.434 -1.417 5.895 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5237 . 1 1 13 . CD2 C -4.738 0.483 4.747 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CD2 . . . . . . . . . c30381_6bvw 1 . 24 . 5238 . 1 1 13 . CE2 C -5.666 0.443 5.805 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE2 . . . . . . . . . c30381_6bvw 1 . 24 . 5239 . 1 1 13 . CE3 C -4.739 1.587 3.890 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CE3 . . . . . . . . . c30381_6bvw 1 . 24 . 5240 . 1 1 13 . CG C -3.958 -0.716 4.823 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CG . . . . . . . . . c30381_6bvw 1 . 24 . 5241 . 1 1 13 . CH2 C -6.566 2.533 5.172 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CH2 . . . . . . . . . c30381_6bvw 1 . 24 . 5242 . 1 1 13 . CN2 C -3.809 -4.218 4.243 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CN2 . . . . . . . . . c30381_6bvw 1 . 24 . 5243 . 1 1 13 . CZ2 C -6.587 1.464 6.027 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ2 . . . . . . . . . c30381_6bvw 1 . 24 . 5244 . 1 1 13 . CZ3 C -5.654 2.599 4.112 . . . 1.0 . . . . . . . . . . . . A . 13 E9M CZ3 . . . . . . . . . c30381_6bvw 1 . 24 . 5245 . 1 1 13 . HA H -3.710 -1.670 2.027 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HA . . . . . . . . . c30381_6bvw 1 . 24 . 5246 . 1 1 13 . HB2 H -2.043 -1.518 4.510 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB2 . . . . . . . . . c30381_6bvw 1 . 24 . 5247 . 1 1 13 . HB3 H -2.498 -0.236 3.391 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5248 . 1 1 13 . HD1 H -4.050 -2.373 6.213 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HD1 . . . . . . . . . c30381_6bvw 1 . 24 . 5249 . 1 1 13 . HE1 H -5.964 -1.022 7.277 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5250 . 1 1 13 . HE3 H -4.043 1.656 3.068 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HE3 . . . . . . . . . c30381_6bvw 1 . 24 . 5251 . 1 1 13 . HH2 H -7.263 3.347 5.306 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HH2 . . . . . . . . . c30381_6bvw 1 . 24 . 5252 . 1 1 13 . HN1 H -4.652 -4.619 4.806 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN1 . . . . . . . . . c30381_6bvw 1 . 24 . 5253 . 1 1 13 . HN2 H -3.029 -3.897 4.935 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN2 . . . . . . . . . c30381_6bvw 1 . 24 . 5254 . 1 1 13 . HN3 H -3.410 -4.991 3.585 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HN3 . . . . . . . . . c30381_6bvw 1 . 24 . 5255 . 1 1 13 . HZ2 H -7.296 1.428 6.840 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ2 . . . . . . . . . c30381_6bvw 1 . 24 . 5256 . 1 1 13 . HZ3 H -5.670 3.461 3.459 . . . 1.0 . . . . . . . . . . . . A . 13 E9M HZ3 . . . . . . . . . c30381_6bvw 1 . 24 . 5257 . 1 1 13 . N N -4.254 -3.072 3.441 . . . 1.0 . . . . . . . . . . . . A . 13 E9M N . . . . . . . . . c30381_6bvw 1 . 24 . 5258 . 1 1 13 . NE1 N -5.461 -0.726 6.490 . . . 1.0 . . . . . . . . . . . . A . 13 E9M NE1 . . . . . . . . . c30381_6bvw 1 . 24 . 5259 . 1 1 13 . O O -1.277 -3.483 3.197 . . . 1.0 . . . . . . . . . . . . A . 13 E9M O . . . . . . . . . c30381_6bvw 1 . 24 . 5260 . 1 1 14 ARG C C 0.251 -2.718 -0.169 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c30381_6bvw 1 . 24 . 5261 . 1 1 14 ARG CA C -0.717 -3.695 0.491 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c30381_6bvw 1 . 24 . 5262 . 1 1 14 ARG CB C -1.204 -4.718 -0.536 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c30381_6bvw 1 . 24 . 5263 . 1 1 14 ARG CD C -2.895 -5.305 -2.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c30381_6bvw 1 . 24 . 5264 . 1 1 14 ARG CG C -2.312 -4.198 -1.436 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c30381_6bvw 1 . 24 . 5265 . 1 1 14 ARG CZ C -4.719 -5.529 -3.935 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c30381_6bvw 1 . 24 . 5266 . 1 1 14 ARG H H -2.489 -2.538 0.488 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c30381_6bvw 1 . 24 . 5267 . 1 1 14 ARG HA H -0.202 -4.213 1.286 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c30381_6bvw 1 . 24 . 5268 . 1 1 14 ARG HB3 H -1.575 -5.588 -0.012 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c30381_6bvw 1 . 24 . 5269 . 1 1 14 ARG HD3 H -3.430 -5.995 -1.665 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c30381_6bvw 1 . 24 . 5270 . 1 1 14 ARG HE H -3.741 -3.835 -3.542 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c30381_6bvw 1 . 24 . 5271 . 1 1 14 ARG HG3 H -1.910 -3.427 -2.077 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c30381_6bvw 1 . 24 . 5272 . 1 1 14 ARG HH11 H -4.236 -7.232 -2.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c30381_6bvw 1 . 24 . 5273 . 1 1 14 ARG HH12 H -5.519 -7.376 -4.116 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c30381_6bvw 1 . 24 . 5274 . 1 1 14 ARG HH21 H -5.432 -4.012 -5.064 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c30381_6bvw 1 . 24 . 5275 . 1 1 14 ARG HH22 H -6.198 -5.544 -5.312 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c30381_6bvw 1 . 24 . 5276 . 1 1 14 ARG N N -1.849 -2.988 1.078 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c30381_6bvw 1 . 24 . 5277 . 1 1 14 ARG NE N -3.810 -4.785 -3.314 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c30381_6bvw 1 . 24 . 5278 . 1 1 14 ARG NH1 N -4.832 -6.819 -3.647 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c30381_6bvw 1 . 24 . 5279 . 1 1 14 ARG NH2 N -5.514 -4.983 -4.845 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c30381_6bvw 1 . 24 . 5280 . 1 1 14 ARG O O 0.005 -2.238 -1.274 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c30381_6bvw 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 c30381_6bvw _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 6bvw.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30381_6bvw 1 1 6bvw.mr . . XPLOR/CNS 2 distance NOE simple 133 c30381_6bvw 1 1 6bvw.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 13 c30381_6bvw 1 1 6bvw.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 2 c30381_6bvw 1 1 6bvw.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30381_6bvw 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 c30381_6bvw _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 . . . . c30381_6bvw 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 4 4 SER HA H . . . 1 1 5 5 ILE H H . . . . . 3.13 0.0 3.13 . . . . . A . 4 SER HA . . A . 5 ILE H . . . 4 . HA . . . . . 5 . HN . . c30381_6bvw 1 2 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR MG H . . . . . 3.32 0.0 3.32 . . . . . A . 2 THR H . . A . 2 THR MG . . . 2 . HN . . . . . 2 . QG2 . . c30381_6bvw 1 3 1 . . 1 1 2 2 THR H H . . . 1 1 2 2 THR HB H . . . . . 4.09 0.0 4.09 . . . . . A . 2 THR H . . A . 2 THR HB . . . 2 . HN . . . . . 2 . HB . . c30381_6bvw 1 4 1 . . 1 1 2 2 THR MG H . . . 1 1 2 2 THR HA H . . . . . 3.25 0.0 3.25 . . . . . A . 2 THR MG . . A . 2 THR HA . . . 2 . QG2 . . . . . 2 . HA . . c30381_6bvw 1 5 1 . . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HA H . . . . . 2.81 0.0 2.81 . . . . . A . 2 THR H . . A . 1 CYS HA . . . 2 . HN . . . . . 1 . HA . . c30381_6bvw 1 6 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HB H . . . . . 3.45 0.0 3.45 . . . . . A . 5 ILE H . . A . 5 ILE HB . . . 5 . HN . . . . . 5 . HB . . c30381_6bvw 1 7 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . 4.91 0.0 4.91 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 . HN . . . . . 5 . HG12 . . c30381_6bvw 1 8 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . 4.91 0.0 4.91 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 . HN . . . . . 5 . HG11 . . c30381_6bvw 1 9 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MD H . . . . . 5.01 0.0 5.01 . . . . . A . 5 ILE H . . A . 5 ILE MD . . . 5 . HN . . . . . 5 . QD1 . . c30381_6bvw 1 10 1 . . 1 1 2 2 THR HA H . . . 1 1 3 3 ALA H H . . . . . 2.82 0.0 2.82 . . . . . A . 2 THR HA . . A . 3 ALA H . . . 2 . HA . . . . . 3 . HN . . c30381_6bvw 1 11 1 . . 1 1 2 2 THR MG H . . . 1 1 3 3 ALA H H . . . . . 3.27 0.0 3.27 . . . . . A . 2 THR MG . . A . 3 ALA H . . . 2 . QG2 . . . . . 3 . HN . . c30381_6bvw 1 12 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 3.48 0.0 3.48 . . . . . A . 3 ALA H . . A . 3 ALA MB . . . 3 . HN . . . . . 3 . QB . . c30381_6bvw 1 13 1 . . 1 1 3 3 ALA MB H . . . 1 1 4 4 SER H H . . . . . 4.27 0.0 4.27 . . . . . A . 3 ALA MB . . A . 4 SER H . . . 3 . QB . . . . . 4 . HN . . c30381_6bvw 1 14 1 . . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE HG13 H . . . . . 4.16 0.0 4.16 . . . . . A . 8 ILE HA . . A . 8 ILE HG13 . . . 8 . HA . . . . . 8 . HG12 . . c30381_6bvw 1 15 1 . . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE HG12 H . . . . . 4.16 0.0 4.16 . . . . . A . 8 ILE HA . . A . 8 ILE HG12 . . . 8 . HA . . . . . 8 . HG11 . . c30381_6bvw 1 16 1 . . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE MD H . . . . . 4.00 0.0 4.00 . . . . . A . 8 ILE HA . . A . 8 ILE MD . . . 8 . HA . . . . . 8 . QD1 . . c30381_6bvw 1 17 1 . . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE MG H . . . . . 3.49 0.0 3.49 . . . . . A . 8 ILE HA . . A . 8 ILE MG . . . 8 . HA . . . . . 8 . QG2 . . c30381_6bvw 1 18 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . 4.08 0.0 4.08 . . . . . A . 5 ILE HA . . A . 5 ILE HG13 . . . 5 . HA . . . . . 5 . HG12 . . c30381_6bvw 1 19 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . 4.08 0.0 4.08 . . . . . A . 5 ILE HA . . A . 5 ILE HG12 . . . 5 . HA . . . . . 5 . HG11 . . c30381_6bvw 1 20 1 . . 1 1 5 5 ILE MD H . . . 1 1 5 5 ILE HA H . . . . . 3.06 0.0 3.06 . . . . . A . 5 ILE MD . . A . 5 ILE HA . . . 5 . QD1 . . . . . 5 . HA . . c30381_6bvw 1 21 1 . . 1 1 7 7 PRO HA H . . . 1 1 8 8 ILE H H . . . . . 2.98 0.0 2.98 . . . . . A . 7 PRO HA . . A . 8 ILE H . . . 7 . HA . . . . . 8 . HN . . c30381_6bvw 1 22 1 . . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HB H . . . . . 3.96 0.0 3.96 . . . . . A . 8 ILE H . . A . 8 ILE HB . . . 8 . HN . . . . . 8 . HB . . c30381_6bvw 1 23 1 . . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB2 H . . . . . 4.64 0.0 4.64 . . . . . A . 8 ILE H . . A . 7 PRO HB2 . . . 8 . HN . . . . . 7 . HB1 . . c30381_6bvw 1 24 1 . . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB3 H . . . . . 4.64 0.0 4.64 . . . . . A . 8 ILE H . . A . 7 PRO HB3 . . . 8 . HN . . . . . 7 . HB2 . . c30381_6bvw 1 25 1 . . 1 1 5 5 ILE HB H . . . 1 1 7 7 PRO HD2 H . . . . . 5.11 0.0 5.11 . . . . . A . 5 ILE HB . . A . 7 PRO HD2 . . . 5 . HB . . . . . 7 . HD1 . . c30381_6bvw 1 26 1 . . 1 1 7 7 PRO HD2 H . . . 1 1 6 6 PRO HA H . . . . . 3.06 0.0 3.06 . . . . . A . 7 PRO HD2 . . A . 6 PRO HA . . . 7 . HD1 . . . . . 6 . HA . . c30381_6bvw 1 27 1 . . 1 1 6 6 PRO HA H . . . 1 1 7 7 PRO HD3 H . . . . . 3.17 0.0 3.17 . . . . . A . 6 PRO HA . . A . 7 PRO HD3 . . . 6 . HA . . . . . 7 . HD2 . . c30381_6bvw 1 28 1 . . 1 1 5 5 ILE HA H . . . 1 1 6 6 PRO HA H . . . . . 2.84 0.0 2.84 . . . . . A . 5 ILE HA . . A . 6 PRO HA . . . 5 . HA . . . . . 6 . HA . . c30381_6bvw 1 29 1 . . 1 1 5 5 ILE MD H . . . 1 1 6 6 PRO HA H . . . . . 3.33 0.0 3.33 . . . . . A . 5 ILE MD . . A . 6 PRO HA . . . 5 . QD1 . . . . . 6 . HA . . c30381_6bvw 1 30 1 . . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD2 H . . . . . 3.87 0.0 3.87 . . . . . A . 5 ILE HA . . A . 7 PRO HD2 . . . 5 . HA . . . . . 7 . HD1 . . c30381_6bvw 1 31 1 . . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD3 H . . . . . 4.42 0.0 4.42 . . . . . A . 5 ILE HA . . A . 7 PRO HD3 . . . 5 . HA . . . . . 7 . HD2 . . c30381_6bvw 1 32 1 . . 1 1 1 1 CYS HA H . . . 1 1 9 9 CYS HA H . . . . . 2.89 0.0 2.89 . . . . . A . 1 CYS HA . . A . 9 CYS HA . . . 1 . HA . . . . . 9 . HA . . c30381_6bvw 1 33 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 4.09 0.0 4.09 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . HB1 . . c30381_6bvw 1 34 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 4.09 0.0 4.09 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . HB2 . . c30381_6bvw 1 35 1 . . 1 1 8 8 ILE HA H . . . 1 1 9 9 CYS H H . . . . . 2.81 0.0 2.81 . . . . . A . 8 ILE HA . . A . 9 CYS H . . . 8 . HA . . . . . 9 . HN . . c30381_6bvw 1 36 1 . . 1 1 8 8 ILE MG H . . . 1 1 8 8 ILE H H . . . . . 4.73 0.0 4.73 . . . . . A . 8 ILE MG . . A . 8 ILE H . . . 8 . QG2 . . . . . 8 . HN . . c30381_6bvw 1 37 1 . . 1 1 8 8 ILE MD H . . . 1 1 8 8 ILE H H . . . . . 4.75 0.0 4.75 . . . . . A . 8 ILE MD . . A . 8 ILE H . . . 8 . QD1 . . . . . 8 . HN . . c30381_6bvw 1 38 1 . . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG12 H . . . . . 4.95 0.0 4.95 . . . . . A . 8 ILE H . . A . 8 ILE HG12 . . . 8 . HN . . . . . 8 . HG11 . . c30381_6bvw 1 39 1 . . 1 1 8 8 ILE MG H . . . 1 1 9 9 CYS H H . . . . . 4.13 0.0 4.13 . . . . . A . 8 ILE MG . . A . 9 CYS H . . . 8 . QG2 . . . . . 9 . HN . . c30381_6bvw 1 40 1 . . 1 1 8 8 ILE MD H . . . 1 1 9 9 CYS H H . . . . . 5.19 0.0 5.19 . . . . . A . 8 ILE MD . . A . 9 CYS H . . . 8 . QD1 . . . . . 9 . HN . . c30381_6bvw 1 41 1 . . 1 1 8 8 ILE HB H . . . 1 1 9 9 CYS H H . . . . . 4.94 0.0 4.94 . . . . . A . 8 ILE HB . . A . 9 CYS H . . . 8 . HB . . . . . 9 . HN . . c30381_6bvw 1 42 1 . . 1 1 9 9 CYS HA H . . . 1 1 10 10 HIS H H . . . . . 2.77 0.0 2.77 . . . . . A . 9 CYS HA . . A . 10 HIS H . . . 9 . HA . . . . . 10 . HN . . c30381_6bvw 1 43 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB3 H . . . . . 3.90 0.0 3.90 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . HB2 . . c30381_6bvw 1 44 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 3.90 0.0 3.90 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . HB1 . . c30381_6bvw 1 45 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HG2 H . . . . . 3.72 0.0 3.72 . . . . . A . 14 ARG H . . A . 14 ARG HG2 . . . 14 . HN . . . . . 14 . QG . . c30381_6bvw 1 45 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HG3 H . . . . . 3.72 0.0 3.72 . . . . . A . 14 ARG H . . A . 14 ARG HG3 . . . 14 . HN . . . . . 14 . QG . . c30381_6bvw 1 46 1 . . 1 1 3 3 ALA H H . . . 1 1 8 8 ILE MG H . . . . . 5.50 0.0 5.50 . . . . . A . 3 ALA H . . A . 8 ILE MG . . . 3 . HN . . . . . 8 . QG2 . . c30381_6bvw 1 47 1 . . 1 1 3 3 ALA H H . . . 1 1 8 8 ILE MD H . . . . . 5.50 0.0 5.50 . . . . . A . 3 ALA H . . A . 8 ILE MD . . . 3 . HN . . . . . 8 . QD1 . . c30381_6bvw 1 48 1 . . 1 1 10 10 HIS H H . . . 1 1 14 14 ARG HB3 H . . . . . 4.88 0.0 4.88 . . . . . A . 10 HIS H . . A . 14 ARG HB3 . . . 10 . HN . . . . . 14 . HB2 . . c30381_6bvw 1 49 1 . . 1 1 10 10 HIS H H . . . 1 1 14 14 ARG HB2 H . . . . . 4.88 0.0 4.88 . . . . . A . 10 HIS H . . A . 14 ARG HB2 . . . 10 . HN . . . . . 14 . HB1 . . c30381_6bvw 1 50 1 . . 1 1 10 10 HIS H H . . . 1 1 14 14 ARG H H . . . . . 4.45 0.0 4.45 . . . . . A . 10 HIS H . . A . 14 ARG H . . . 10 . HN . . . . . 14 . HN . . c30381_6bvw 1 51 1 . . 1 1 2 2 THR H H . . . 1 1 8 8 ILE H H . . . . . 3.60 0.0 3.60 . . . . . A . 2 THR H . . A . 8 ILE H . . . 2 . HN . . . . . 8 . HN . . c30381_6bvw 1 52 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 . . c30381_6bvw 1 53 1 OR . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HG2 H . . . . . 3.68 0.0 3.68 . . . . . A . 14 ARG HA . . A . 14 ARG HG2 . . . 14 . HA . . . . . 14 . QG . . c30381_6bvw 1 53 2 OR . 1 1 14 14 ARG HG3 H . . . 1 1 14 14 ARG HA H . . . . . 3.68 0.0 3.68 . . . . . A . 14 ARG HG3 . . A . 14 ARG HA . . . 14 . QG . . . . . 14 . HA . . c30381_6bvw 1 54 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MG H . . . . . 4.44 0.0 4.44 . . . . . A . 5 ILE H . . A . 5 ILE MG . . . 5 . HN . . . . . 5 . QG2 . . c30381_6bvw 1 55 1 . . 1 1 14 14 ARG H H . . . 1 1 12 12 MMO HA H . . . . . 4.11 0.0 4.11 . . . . . A . 14 ARG H . . A . 12 MMO HA . . . 14 . HN . . . . . 12 . HA . . c30381_6bvw 1 56 1 . . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG13 H . . . . . 4.95 0.0 4.95 . . . . . A . 8 ILE H . . A . 8 ILE HG13 . . . 8 . HN . . . . . 8 . HG12 . . c30381_6bvw 1 57 1 . . 1 1 2 2 THR MG H . . . 1 1 8 8 ILE H H . . . . . 4.74 0.0 4.74 . . . . . A . 2 THR MG . . A . 8 ILE H . . . 2 . QG2 . . . . . 8 . HN . . c30381_6bvw 1 58 1 . . 1 1 2 2 THR H H . . . 1 1 9 9 CYS HA H . . . . . 3.96 0.0 3.96 . . . . . A . 2 THR H . . A . 9 CYS HA . . . 2 . HN . . . . . 9 . HA . . c30381_6bvw 1 59 1 OR . 1 1 1 1 CYS HA H . . . 1 1 9 9 CYS HB3 H . . . . . 4.66 0.0 4.66 . . . . . A . 1 CYS HA . . A . 9 CYS HB3 . . . 1 . HA . . . . . 9 . QB . . c30381_6bvw 1 59 2 OR . 1 1 1 1 CYS HA H . . . 1 1 9 9 CYS HB2 H . . . . . 4.66 0.0 4.66 . . . . . A . 1 CYS HA . . A . 9 CYS HB2 . . . 1 . HA . . . . . 9 . QB . . c30381_6bvw 1 60 1 OR . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HB2 H . . . . . 3.40 0.0 3.40 . . . . . A . 2 THR H . . A . 1 CYS HB2 . . . 2 . HN . . . . . 1 . QB . . c30381_6bvw 1 60 2 OR . 1 1 2 2 THR H H . . . 1 1 1 1 CYS HB3 H . . . . . 3.40 0.0 3.40 . . . . . A . 2 THR H . . A . 1 CYS HB3 . . . 2 . HN . . . . . 1 . QB . . c30381_6bvw 1 61 1 OR . 1 1 2 2 THR H H . . . 1 1 7 7 PRO HB2 H . . . . . 5.34 0.0 5.34 . . . . . A . 2 THR H . . A . 7 PRO HB2 . . . 2 . HN . . . . . 7 . QB . . c30381_6bvw 1 61 2 OR . 1 1 2 2 THR H H . . . 1 1 7 7 PRO HB3 H . . . . . 5.34 0.0 5.34 . . . . . A . 2 THR H . . A . 7 PRO HB3 . . . 2 . HN . . . . . 7 . QB . . c30381_6bvw 1 62 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . 3.59 0.0 3.59 . . . . . A . 4 SER H . . A . 4 SER HB2 . . . 4 . HN . . . . . 4 . QB . . c30381_6bvw 1 62 2 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB3 H . . . . . 3.59 0.0 3.59 . . . . . A . 4 SER H . . A . 4 SER HB3 . . . 4 . HN . . . . . 4 . QB . . c30381_6bvw 1 63 1 OR . 1 1 5 5 ILE H H . . . 1 1 4 4 SER HB2 H . . . . . 3.25 0.0 3.25 . . . . . A . 5 ILE H . . A . 4 SER HB2 . . . 5 . HN . . . . . 4 . QB . . c30381_6bvw 1 63 2 OR . 1 1 5 5 ILE H H . . . 1 1 4 4 SER HB3 H . . . . . 3.25 0.0 3.25 . . . . . A . 5 ILE H . . A . 4 SER HB3 . . . 5 . HN . . . . . 4 . QB . . c30381_6bvw 1 64 1 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . 4.18 0.0 4.18 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 . HN . . . . . 5 . QG1 . . c30381_6bvw 1 64 2 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . 4.18 0.0 4.18 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 . HN . . . . . 5 . QG1 . . c30381_6bvw 1 65 1 OR . 1 1 7 7 PRO HD3 H . . . 1 1 6 6 PRO HB2 H . . . . . 3.38 0.0 3.38 . . . . . A . 7 PRO HD3 . . A . 6 PRO HB2 . . . 7 . HD2 . . . . . 6 . QB . . c30381_6bvw 1 65 2 OR . 1 1 7 7 PRO HD3 H . . . 1 1 6 6 PRO HB3 H . . . . . 3.38 0.0 3.38 . . . . . A . 7 PRO HD3 . . A . 6 PRO HB3 . . . 7 . HD2 . . . . . 6 . QB . . c30381_6bvw 1 66 1 OR . 1 1 7 7 PRO HD2 H . . . 1 1 6 6 PRO HB2 H . . . . . 4.38 0.0 4.38 . . . . . A . 7 PRO HD2 . . A . 6 PRO HB2 . . . 7 . HD1 . . . . . 6 . QB . . c30381_6bvw 1 66 2 OR . 1 1 7 7 PRO HD2 H . . . 1 1 6 6 PRO HB3 H . . . . . 4.38 0.0 4.38 . . . . . A . 7 PRO HD2 . . A . 6 PRO HB3 . . . 7 . HD1 . . . . . 6 . QB . . c30381_6bvw 1 67 1 OR . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB2 H . . . . . 3.98 0.0 3.98 . . . . . A . 8 ILE H . . A . 7 PRO HB2 . . . 8 . HN . . . . . 7 . QB . . c30381_6bvw 1 67 2 OR . 1 1 8 8 ILE H H . . . 1 1 7 7 PRO HB3 H . . . . . 3.98 0.0 3.98 . . . . . A . 8 ILE H . . A . 7 PRO HB3 . . . 8 . HN . . . . . 7 . QB . . c30381_6bvw 1 68 1 OR . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG12 H . . . . . 4.17 0.0 4.17 . . . . . A . 8 ILE H . . A . 8 ILE HG12 . . . 8 . HN . . . . . 8 . QG1 . . c30381_6bvw 1 68 2 OR . 1 1 8 8 ILE H H . . . 1 1 8 8 ILE HG13 H . . . . . 4.17 0.0 4.17 . . . . . A . 8 ILE H . . A . 8 ILE HG13 . . . 8 . HN . . . . . 8 . QG1 . . c30381_6bvw 1 69 1 OR . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE HG12 H . . . . . 3.65 0.0 3.65 . . . . . A . 8 ILE HA . . A . 8 ILE HG12 . . . 8 . HA . . . . . 8 . QG1 . . c30381_6bvw 1 69 2 OR . 1 1 8 8 ILE HA H . . . 1 1 8 8 ILE HG13 H . . . . . 3.65 0.0 3.65 . . . . . A . 8 ILE HA . . A . 8 ILE HG13 . . . 8 . HA . . . . . 8 . QG1 . . c30381_6bvw 1 70 1 OR . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 3.22 0.0 3.22 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . QB . . c30381_6bvw 1 70 2 OR . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.22 0.0 3.22 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . QB . . c30381_6bvw 1 71 1 OR . 1 1 10 10 HIS H H . . . 1 1 9 9 CYS HB3 H . . . . . 3.55 0.0 3.55 . . . . . A . 10 HIS H . . A . 9 CYS HB3 . . . 10 . HN . . . . . 9 . QB . . c30381_6bvw 1 71 2 OR . 1 1 10 10 HIS H H . . . 1 1 9 9 CYS HB2 H . . . . . 3.55 0.0 3.55 . . . . . A . 10 HIS H . . A . 9 CYS HB2 . . . 10 . HN . . . . . 9 . QB . . c30381_6bvw 1 72 1 OR . 1 1 10 10 HIS H H . . . 1 1 10 10 HIS HB2 H . . . . . 3.38 0.0 3.38 . . . . . A . 10 HIS H . . A . 10 HIS HB2 . . . 10 . HN . . . . . 10 . QB . . c30381_6bvw 1 72 2 OR . 1 1 10 10 HIS H H . . . 1 1 10 10 HIS HB3 H . . . . . 3.38 0.0 3.38 . . . . . A . 10 HIS H . . A . 10 HIS HB3 . . . 10 . HN . . . . . 10 . QB . . c30381_6bvw 1 73 1 OR . 1 1 10 10 HIS H H . . . 1 1 14 14 ARG HB3 H . . . . . 4.22 0.0 4.22 . . . . . A . 10 HIS H . . A . 14 ARG HB3 . . . 10 . HN . . . . . 14 . QB . . c30381_6bvw 1 73 2 OR . 1 1 10 10 HIS H H . . . 1 1 14 14 ARG HB2 H . . . . . 4.22 0.0 4.22 . . . . . A . 10 HIS H . . A . 14 ARG HB2 . . . 10 . HN . . . . . 14 . QB . . c30381_6bvw 1 74 1 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB3 H . . . . . 3.32 0.0 3.32 . . . . . A . 14 ARG H . . A . 14 ARG HB3 . . . 14 . HN . . . . . 14 . QB . . c30381_6bvw 1 74 2 OR . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HB2 H . . . . . 3.32 0.0 3.32 . . . . . A . 14 ARG H . . A . 14 ARG HB2 . . . 14 . HN . . . . . 14 . QB . . c30381_6bvw 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 c30381_6bvw 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 c30381_6bvw 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 43 1 "Not handling restraint 43, item 1, resonance(s) ' .11.HN' (nmrStar names),' .12.QN' (nmrStar names) not linked" c30381_6bvw 1 2 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30381_6bvw 1 3 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HB2' (nmrStar names) not linked" c30381_6bvw 1 4 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.HB1' (nmrStar names) not linked" c30381_6bvw 1 5 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 6 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .11.QD' (nmrStar names),' .11.HA' (nmrStar names) not linked" c30381_6bvw 1 7 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .13.HA' (nmrStar names) not linked" c30381_6bvw 1 8 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .13.HA' (nmrStar names),' .13.HD1' (nmrStar names) not linked" c30381_6bvw 1 9 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .12.QN' (nmrStar names) not linked" c30381_6bvw 1 10 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30381_6bvw 1 11 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .11.QD' (nmrStar names),' .12.HG1' (nmrStar names) not linked" c30381_6bvw 1 12 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .11.QD' (nmrStar names),' .12.HG2' (nmrStar names) not linked" c30381_6bvw 1 13 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 14 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 15 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .12.QN' (nmrStar names),' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 16 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .12.QN' (nmrStar names),' .11.HA' (nmrStar names) not linked" c30381_6bvw 1 17 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .13.HB2' (nmrStar names) not linked" c30381_6bvw 1 18 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .13.HB1' (nmrStar names) not linked" c30381_6bvw 1 19 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 20 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .13.HD1' (nmrStar names) not linked" c30381_6bvw 1 21 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30381_6bvw 1 22 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .11.QE' (nmrStar names) not linked" c30381_6bvw 1 23 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .11.QE' (nmrStar names) not linked" c30381_6bvw 1 24 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .13.HA' (nmrStar names) not linked" c30381_6bvw 1 25 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .13.HA' (nmrStar names),' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 26 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 27 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 28 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 29 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 30 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .13.HB2' (nmrStar names) not linked" c30381_6bvw 1 31 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .13.HB1' (nmrStar names) not linked" c30381_6bvw 1 32 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30381_6bvw 1 33 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30381_6bvw 1 34 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30381_6bvw 1 35 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30381_6bvw 1 36 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30381_6bvw 1 37 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .11.HN' (nmrStar names) not linked" c30381_6bvw 1 38 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 39 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .11.QD' (nmrStar names) not linked" c30381_6bvw 1 40 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .11.QE' (nmrStar names) not linked" c30381_6bvw 1 41 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .11.QE' (nmrStar names) not linked" c30381_6bvw 1 42 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 43 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .13.HE3' (nmrStar names) not linked" c30381_6bvw 1 44 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .11.HN' (nmrStar names),' .11.QB' (nmrStar names) not linked" c30381_6bvw 1 45 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .11.QD' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30381_6bvw 1 46 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .11.QD' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 47 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .12.QN' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30381_6bvw 1 48 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .12.QN' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 49 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 50 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .12.QB' (nmrStar names),' .12.HE' (nmrStar names) not linked" c30381_6bvw 1 51 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .13.HA' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30381_6bvw 1 52 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .13.HD1' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30381_6bvw 1 53 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .13.HE3' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30381_6bvw 1 54 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .12.QB' (nmrStar names),' .13.HE1' (nmrStar names) not linked" c30381_6bvw 1 55 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .12.QB' (nmrStar names),' .13.HZ2' (nmrStar names) not linked" c30381_6bvw 1 56 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .13.HA' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 57 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .13.HD1' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 58 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .13.HE3' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30381_6bvw 1 59 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .12.QG' (nmrStar names),' .13.HE1' (nmrStar names) not linked" c30381_6bvw 1 60 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .12.QG' (nmrStar names),' .13.HZ2' (nmrStar names) not linked" c30381_6bvw 1 61 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .13.HE1' (nmrStar names),' .12.QD' (nmrStar names) not linked" c30381_6bvw 1 62 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .13.HZ2' (nmrStar names),' .12.QD' (nmrStar names) not linked" c30381_6bvw 1 63 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .13.HD1' (nmrStar names),' .13.QB' (nmrStar names) not linked" c30381_6bvw 1 64 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .13.HE3' (nmrStar names),' .13.QB' (nmrStar names) not linked" c30381_6bvw 1 65 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .13.QB' (nmrStar names) not linked" c30381_6bvw 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 c30381_6bvw _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 . . . . c30381_6bvw 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 . . c30381_6bvw 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 . . c30381_6bvw 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 restraints' 1 1 1 19 c30381_6bvw 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 c30381_6bvw _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 . . . . c30381_6bvw 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 1 1 CYS N N . . 1 1 1 1 CYS CA C . . 1 1 1 1 CYS CB C . . 1 1 1 1 CYS SG S . -90.0 -30.0 . . . A . 1 CYS N . . A . 1 CYS CA . . A . 1 CYS CB . . A . 1 CYS SG . . . 1 . N . . . . . 1 . CA . . . . . 1 . CB . . . . . 1 . SG . . c30381_6bvw 1 2 . . 1 1 3 3 ALA C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . -115.2 -47.2 . . . A . 3 ALA C . . A . 4 SER N . . A . 4 SER CA . . A . 4 SER C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30381_6bvw 1 3 . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . . 1 1 5 5 ILE N N . 120.8 179.6 . . . A . 4 SER N . . A . 4 SER CA . . A . 4 SER C . . A . 5 ILE N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . c30381_6bvw 1 4 . . 1 1 4 4 SER C C . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . -143.8 -53.6 . . . A . 4 SER C . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . c30381_6bvw 1 5 . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . . 1 1 6 6 PRO N N . 105.7 172.5 . . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . A . 6 PRO N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . c30381_6bvw 1 6 . . 1 1 6 6 PRO N N . . 1 1 6 6 PRO CA C . . 1 1 6 6 PRO C C . . 1 1 7 7 PRO N N . 129.5 169.5 . . . A . 6 PRO N . . A . 6 PRO CA . . A . 6 PRO C . . A . 7 PRO N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c30381_6bvw 1 7 . . 1 1 7 7 PRO N N . . 1 1 7 7 PRO CA C . . 1 1 7 7 PRO C C . . 1 1 8 8 ILE N N . 112.0 174.8 . . . A . 7 PRO N . . A . 7 PRO CA . . A . 7 PRO C . . A . 8 ILE N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c30381_6bvw 1 8 . . 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 . -138.9 -25.9 . . . A . 7 PRO C . . A . 8 ILE N . . A . 8 ILE CA . . A . 8 ILE C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . c30381_6bvw 1 9 . . 1 1 8 8 ILE N N . . 1 1 8 8 ILE CA C . . 1 1 8 8 ILE C C . . 1 1 9 9 CYS N N . 112.7 152.7 . . . A . 8 ILE N . . A . 8 ILE CA . . A . 8 ILE C . . A . 9 CYS N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . c30381_6bvw 1 10 . . 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 . -156.6 -96.6 . . . A . 8 ILE C . . A . 9 CYS N . . A . 9 CYS CA . . A . 9 CYS C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c30381_6bvw 1 11 . . 1 1 9 9 CYS N N . . 1 1 9 9 CYS CA C . . 1 1 9 9 CYS C C . . 1 1 10 10 HIS N N . 109.3 191.1 . . . A . 9 CYS N . . A . 9 CYS CA . . A . 9 CYS C . . A . 10 HIS N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . c30381_6bvw 1 12 . . 1 1 9 9 CYS N N . . 1 1 9 9 CYS CA C . . 1 1 9 9 CYS CB C . . 1 1 9 9 CYS SG S . -90.0 -30.0 . . . A . 9 CYS N . . A . 9 CYS CA . . A . 9 CYS CB . . A . 9 CYS SG . . . 9 . N . . . . . 9 . CA . . . . . 9 . CB . . . . . 9 . SG . . c30381_6bvw 1 13 . . 1 1 10 10 HIS N N . . 1 1 10 10 HIS CA C . . 1 1 10 10 HIS CB C . . 1 1 10 10 HIS CG C . 30.0 90.0 . . . A . 10 HIS N . . A . 10 HIS CA . . A . 10 HIS CB . . A . 10 HIS CG . . . 10 . N . . . . . 10 . CA . . . . . 10 . CB . . . . . 10 . CG . . c30381_6bvw 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 c30381_6bvw 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 c30381_6bvw _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 6BVW *TITLE SFTI-HFRW-3 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-3; *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, BIOSYNTHETIC PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 24 *AUTHOR C.I.SCHROEDER *REVDAT 1 19-DEC-18 6BVW 0' save_