data_c50202_6yfy save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID c50202_6yfy _Entry.Title ; Mode of action of teixobactins in cellular conditions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-23 _Entry.Accession_date 2020-02-23 _Entry.Last_release_date 2020-02-24 _Entry.Original_release_date 2020-02-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _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 '[R4L10]-Teixobactin-Lipid II complex chemical shifts, in DOPC liposomes' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Joao Silva . . . 0000-0003-3532-4390 c50202_6yfy 2 Rhythm Shukla . . . . c50202_6yfy 3 Anish Parmar . . . . c50202_6yfy 4 Bram Vermeulen . . . . c50202_6yfy 5 Sanjit Das . . . . c50202_6yfy 6 Alessandra 'Lucini Paioni' . . . . c50202_6yfy 7 Shehrazade Jekhmane . . . . c50202_6yfy 8 Joseph Lorent . . . . c50202_6yfy 9 Alexandre Bonvin . . . . c50202_6yfy 10 Marc Baldus . . . . c50202_6yfy 11 Moreno Lelli . . . . c50202_6yfy 12 Edwin Veldhuizen . . . . c50202_6yfy 13 Eefjan Breukink . . . . c50202_6yfy 14 Ishwar Singh . . . . c50202_6yfy 15 Markus Weingarth . . . 0000-0003-0831-8673 c50202_6yfy stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 c50202_6yfy stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 58 c50202_6yfy '15N chemical shifts' 6 c50202_6yfy '1H chemical shifts' 6 c50202_6yfy 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 . . 2020-06-08 . original BMRB . c50202_6yfy stop_ save_ save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID c50202_6yfy _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mode of action of teixobactins in cellular conditions ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Joao Silva . . . . c50202_6yfy 1 2 Rhythm Shukla . . . . c50202_6yfy 1 3 Anish Parmar . . . . c50202_6yfy 1 4 Bram Vermeulen . . . . c50202_6yfy 1 5 Sanjit Das . . . . c50202_6yfy 1 6 Alessandra 'Lucini Paioni' . . . . c50202_6yfy 1 7 Shehrazade Jekhmane . . . . c50202_6yfy 1 8 Joseph Lorent . . . . c50202_6yfy 1 9 Alexandre Bonvin . . . . c50202_6yfy 1 10 Marc Baldus . . . . c50202_6yfy 1 11 Moreno Lelli . . . . c50202_6yfy 1 12 Edwin Veldhuizen . . . . c50202_6yfy 1 13 Eefjan Breukink . . . . c50202_6yfy 1 14 Ishwar Singh . . . . c50202_6yfy 1 15 Markus Weingarth . . . . c50202_6yfy 1 stop_ save_ save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID c50202_6yfy _Assembly.ID 1 _Assembly.Name 'Teixobactin 2:1 Lipid II' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites yes _Assembly.Molecules_in_chemical_exchange no _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 Teixobactin 1 $entity_1 . . yes native no no . . . c50202_6yfy 1 2 'Lipid II' 2 $entity_2 . . yes native no no . . . c50202_6yfy 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c50202_6yfy _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XISXXISXALI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'E4R; X10L' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1261.75 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Only residues 2,3,6,7,9 and 10 were 13C/15N labelled' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cell wall-precursor binding antibiotic' c50202_6yfy 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZAE . c50202_6yfy 1 2 . ILE . c50202_6yfy 1 3 . SER . c50202_6yfy 1 4 . DAR . c50202_6yfy 1 5 . 28J . c50202_6yfy 1 6 . ILE . c50202_6yfy 1 7 . SER . c50202_6yfy 1 8 . DTH . c50202_6yfy 1 9 . ALA . c50202_6yfy 1 10 . LEU . c50202_6yfy 1 11 . ILE . c50202_6yfy 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 . ZAE 1 1 c50202_6yfy 1 . ILE 2 2 c50202_6yfy 1 . SER 3 3 c50202_6yfy 1 . DAR 4 4 c50202_6yfy 1 . 28J 5 5 c50202_6yfy 1 . ILE 6 6 c50202_6yfy 1 . SER 7 7 c50202_6yfy 1 . DTH 8 8 c50202_6yfy 1 . ALA 9 9 c50202_6yfy 1 . LEU 10 10 c50202_6yfy 1 . ILE 11 11 c50202_6yfy 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID c50202_6yfy _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type other _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AXKXAXX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'D-Ala, D-Ala, Lys, gamma-Gln, Ala, MurNAc, GlucNAc, PPi, (isoprene)11' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1876.23 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Only the head-group of the lipid is labelled' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 6146 . 3LII . . . . . . . . . . . . . . c50202_6yfy 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Peptidoglycan precursor' c50202_6yfy 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DAL . c50202_6yfy 2 2 . DGL . c50202_6yfy 2 3 . LYS . c50202_6yfy 2 4 . GGL . c50202_6yfy 2 5 . ALA . c50202_6yfy 2 6 . MUB . c50202_6yfy 2 7 . NAG . c50202_6yfy 2 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 . DAL 1 1 c50202_6yfy 2 . DGL 2 2 c50202_6yfy 2 . LYS 3 3 c50202_6yfy 2 . GGL 4 4 c50202_6yfy 2 . ALA 5 5 c50202_6yfy 2 . MUB 6 6 c50202_6yfy 2 . NAG 7 7 c50202_6yfy 2 stop_ save_ save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID c50202_6yfy _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 . . Synthetic . . . . . . . . . . . . . . . . . . . . . . c50202_6yfy 1 2 2 $entity_2 . . 'multiple natural sources' . . . . . . . . . . . . . . . . . . . . . . c50202_6yfy 1 stop_ save_ save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID c50202_6yfy _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 . 'Peptide synthesis' N.A. . . . . . . . . plasmid . . . . . . c50202_6yfy 1 2 2 $entity_2 . 'cell free synthesis' 'Microccocus Flavus' . . . Microccocus Flavus . . . . . . . . . . c50202_6yfy 1 stop_ save_ save_chem_comp_ZAE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZAE _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID ZAE _Chem_comp.Provenance PDB _Chem_comp.Name N-methyl-D-phenylalanine _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code ZAE _Chem_comp.PDB_code ZAE _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 . _Chem_comp.Three_letter_code ZAE _Chem_comp.Number_atoms_all 26 _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/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/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 'C10 H13 N O2' _Chem_comp.Formula_weight 179.216 _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 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(Cc1ccccc1)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 c50202_6yfy ZAE CN[C@H](Cc1ccccc1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c50202_6yfy ZAE CN[C@H](Cc1ccccc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 c50202_6yfy ZAE CN[CH](Cc1ccccc1)C(O)=O SMILES CACTVS 3.341 c50202_6yfy ZAE InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1 InChI InChI 1.03 c50202_6yfy ZAE O=C(O)C(NC)Cc1ccccc1 SMILES ACDLabs 10.04 c50202_6yfy ZAE SCIFESDRCALIIM-SECBINFHSA-N InChIKey InChI 1.03 c50202_6yfy ZAE 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-methylamino-3-phenyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c50202_6yfy ZAE N-methyl-D-phenylalanine 'SYSTEMATIC NAME' ACDLabs 10.04 c50202_6yfy ZAE 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 . 1.052 1.411 0.075 1 . c50202_6yfy ZAE CA CA CA CA . C . . R 0 . . . 1 no no . . . . 34.648 . 5.692 . 10.509 . 1.194 -0.023 -0.209 2 . c50202_6yfy ZAE C C C C . C . . N 0 . . . 1 no no . . . . 33.882 . 7.017 . 10.467 . 2.619 -0.446 0.041 3 . c50202_6yfy ZAE O O O O . O . . N 0 . . . 1 no no . . . . 33.561 . 7.596 . 11.514 . 3.432 0.364 0.418 4 . c50202_6yfy ZAE OXT OXT OXT OXT . O . . N 0 . . . 1 no no . . . . 33.600 . 7.485 . 9.254 . 2.985 -1.723 -0.154 5 . c50202_6yfy ZAE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 36.067 . 5.886 . 9.998 . 0.259 -0.819 0.703 6 . c50202_6yfy ZAE CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 36.930 . 6.703 . 10.909 . -1.172 -0.486 0.367 7 . c50202_6yfy ZAE CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 37.767 . 6.083 . 11.827 . -1.849 -1.225 -0.585 8 . c50202_6yfy ZAE CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 36.921 . 8.095 . 10.838 . -1.811 0.554 1.016 9 . c50202_6yfy ZAE CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 38.584 . 6.833 . 12.661 . -3.161 -0.920 -0.893 10 . c50202_6yfy ZAE CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 37.732 . 8.857 . 11.666 . -3.123 0.859 0.708 11 . c50202_6yfy ZAE CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 38.566 . 8.224 . 12.578 . -3.798 0.124 -0.248 12 . c50202_6yfy ZAE C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 34.707 . 3.678 . 11.832 . 1.431 2.219 -1.092 13 . c50202_6yfy ZAE H H H H . H . . N 0 . . . 1 no no . . . . 35.518 . 5.472 . 12.347 . 0.114 1.628 0.376 14 . c50202_6yfy ZAE HA HA HA HA . H . . N 0 . . . 1 no yes . . . . 34.119 . 4.977 . 9.862 . 0.937 -0.215 -1.251 15 . c50202_6yfy ZAE HXT HXT HXT HXT . H . . N 0 . . . 1 no no . . . . 33.129 . 8.306 . 9.333 . 3.909 -1.946 0.020 16 . c50202_6yfy ZAE HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 no no . . . . 36.529 . 4.894 . 9.889 . 0.428 -1.886 0.555 17 . c50202_6yfy ZAE HB3 HB3 HB3 HB3 . H . . N 0 . . . 1 no no . . . . 35.996 . 6.431 . 9.045 . 0.458 -0.560 1.743 18 . c50202_6yfy ZAE HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 37.782 . 5.005 . 11.893 . -1.352 -2.041 -1.089 19 . c50202_6yfy ZAE HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 36.273 . 8.587 . 10.128 . -1.284 1.129 1.764 20 . c50202_6yfy ZAE HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 39.231 . 6.341 . 13.372 . -3.690 -1.497 -1.638 21 . c50202_6yfy ZAE HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 37.715 . 9.935 . 11.602 . -3.622 1.672 1.215 22 . c50202_6yfy ZAE HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . 39.202 . 8.811 . 13.224 . -4.823 0.363 -0.489 23 . c50202_6yfy ZAE H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 34.711 . 3.349 . 10.782 . 2.469 2.016 -1.354 24 . c50202_6yfy ZAE H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 35.609 . 3.302 . 12.337 . 0.788 1.964 -1.935 25 . c50202_6yfy ZAE H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 33.812 . 3.284 . 12.336 . 1.316 3.276 -0.855 26 . c50202_6yfy ZAE 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 . c50202_6yfy ZAE 2 . SING N C10 no N 2 . c50202_6yfy ZAE 3 . SING N H no N 3 . c50202_6yfy ZAE 4 . SING CA C no N 4 . c50202_6yfy ZAE 5 . SING CA CB no N 5 . c50202_6yfy ZAE 6 . SING CA HA no N 6 . c50202_6yfy ZAE 7 . DOUB C O no N 7 . c50202_6yfy ZAE 8 . SING C OXT no N 8 . c50202_6yfy ZAE 9 . SING OXT HXT no N 9 . c50202_6yfy ZAE 10 . SING CB CG no N 10 . c50202_6yfy ZAE 11 . SING CB HB2 no N 11 . c50202_6yfy ZAE 12 . SING CB HB3 no N 12 . c50202_6yfy ZAE 13 . DOUB CG CD1 yes N 13 . c50202_6yfy ZAE 14 . SING CG CD2 yes N 14 . c50202_6yfy ZAE 15 . SING CD1 CE1 yes N 15 . c50202_6yfy ZAE 16 . SING CD1 HD1 no N 16 . c50202_6yfy ZAE 17 . DOUB CD2 CE2 yes N 17 . c50202_6yfy ZAE 18 . SING CD2 HD2 no N 18 . c50202_6yfy ZAE 19 . DOUB CE1 CZ yes N 19 . c50202_6yfy ZAE 20 . SING CE1 HE1 no N 20 . c50202_6yfy ZAE 21 . SING CE2 CZ yes N 21 . c50202_6yfy ZAE 22 . SING CE2 HE2 no N 22 . c50202_6yfy ZAE 23 . SING CZ HZ no N 23 . c50202_6yfy ZAE 24 . SING C10 H11 no N 24 . c50202_6yfy ZAE 25 . SING C10 H12 no N 25 . c50202_6yfy ZAE 26 . SING C10 H13 no N 26 . c50202_6yfy ZAE stop_ save_ save_chem_comp_DAR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAR _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID DAR _Chem_comp.Provenance PDB _Chem_comp.Name D-ARGININE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAR _Chem_comp.PDB_code DAR _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 DAR _Chem_comp.Number_atoms_all 27 _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/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N4 O2' _Chem_comp.Formula_weight 175.209 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1CZQ _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 C(CC(C(=O)O)N)CNC(=[NH2+])N SMILES 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAR C(C[C@H](C(=O)O)N)CNC(=[NH2+])N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAR InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1 InChI InChI 1.03 c50202_6yfy DAR N[C@H](CCCNC(N)=[NH2+])C(O)=O SMILES_CANONICAL CACTVS 3.341 c50202_6yfy DAR N[CH](CCCNC(N)=[NH2+])C(O)=O SMILES CACTVS 3.341 c50202_6yfy DAR O=C(O)C(N)CCCN\C(=[NH2+])N SMILES ACDLabs 10.04 c50202_6yfy DAR ODKSFYDXXFIFQN-SCSAIBSYSA-O InChIKey InChI 1.03 c50202_6yfy DAR 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 [amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAR amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium 'SYSTEMATIC NAME' ACDLabs 10.04 c50202_6yfy DAR 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 . . . . 17.418 . -6.202 . 32.216 . -2.318 1.786 -0.308 1 . c50202_6yfy DAR CA CA CA CA . C . . R 0 . . . 1 no no . . . . 18.673 . -6.893 . 32.489 . -2.260 0.486 0.373 2 . c50202_6yfy DAR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 18.480 . -8.408 . 32.369 . -1.023 -0.282 -0.099 3 . c50202_6yfy DAR CG CG CG CG . C . . N 0 . . . 1 no no . . . . 18.169 . -8.847 . 30.969 . 0.238 0.463 0.342 4 . c50202_6yfy DAR CD CD CD CD . C . . N 0 . . . 1 no no . . . . 19.397 . -8.762 . 30.070 . 1.475 -0.305 -0.130 5 . c50202_6yfy DAR NE NE NE NE . N . . N 0 . . . 1 no no . . . . 19.715 . -7.408 . 29.607 . 2.683 0.409 0.292 6 . c50202_6yfy DAR CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 20.121 . -7.134 . 28.370 . 3.917 -0.093 -0.019 7 . c50202_6yfy DAR NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 20.248 . -8.118 . 27.481 . 4.020 -1.229 -0.705 8 . c50202_6yfy DAR NH2 NH2 NH2 NH2 . N . . N 1 . . . 1 no no . . . . 20.409 . -5.891 . 28.015 . 5.015 0.556 0.365 9 . c50202_6yfy DAR C C C C . C . . N 0 . . . 1 no no . . . . 19.313 . -6.582 . 33.833 . -3.499 -0.308 0.047 10 . c50202_6yfy DAR O O O O . O . . N 0 . . . 1 no no . . . . 19.994 . -7.423 . 34.421 . -3.870 -1.327 0.838 11 . c50202_6yfy DAR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 19.100 . -5.379 . 34.342 . -4.157 -0.028 -0.926 12 . c50202_6yfy DAR H H H H . H . . N 0 . . . 1 no no . . . . 17.546 . -5.193 . 32.295 . -2.371 1.593 -1.297 13 . c50202_6yfy DAR H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 16.660 . -6.537 . 32.811 . -3.196 2.210 -0.048 14 . c50202_6yfy DAR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 19.378 . -6.505 . 31.717 . -2.201 0.642 1.450 15 . c50202_6yfy DAR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 19.363 . -8.955 . 32.771 . -1.027 -1.281 0.338 16 . c50202_6yfy DAR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 17.702 . -8.768 . 33.082 . -1.037 -0.361 -1.186 17 . c50202_6yfy DAR HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 17.721 . -9.868 . 30.951 . 0.242 1.462 -0.095 18 . c50202_6yfy DAR HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 17.311 . -8.275 . 30.543 . 0.253 0.542 1.429 19 . c50202_6yfy DAR HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 20.280 . -9.218 . 30.574 . 1.471 -1.303 0.307 20 . c50202_6yfy DAR HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 19.293 . -9.455 . 29.202 . 1.461 -0.383 -1.217 21 . c50202_6yfy DAR HE HE HE HNE . H . . N 0 . . . 1 no no . . . . 20.411 . -7.025 . 30.246 . 2.608 1.236 0.793 22 . c50202_6yfy DAR HH11 HH11 HH11 1HH1 . H . . N 0 . . . 0 no no . . . . 20.559 . -7.907 . 26.532 . 3.221 -1.701 -0.985 23 . c50202_6yfy DAR HH12 HH12 HH12 2HH1 . H . . N 0 . . . 0 no no . . . . 19.362 . -8.621 . 27.426 . 4.896 -1.584 -0.926 24 . c50202_6yfy DAR HH21 HH21 HH21 1HH2 . H . . N 0 . . . 0 no no . . . . 20.311 . -5.137 . 28.695 . 5.890 0.200 0.145 25 . c50202_6yfy DAR HH22 HH22 HH22 2HH2 . H . . N 0 . . . 0 no no . . . . 20.720 . -5.680 . 27.066 . 4.940 1.384 0.865 26 . c50202_6yfy DAR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 19.499 . -5.184 . 35.181 . . . . 27 . c50202_6yfy DAR 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 . c50202_6yfy DAR 2 . SING N H no N 2 . c50202_6yfy DAR 3 . SING N H2 no N 3 . c50202_6yfy DAR 4 . SING CA CB no N 4 . c50202_6yfy DAR 5 . SING CA C no N 5 . c50202_6yfy DAR 6 . SING CA HA no N 6 . c50202_6yfy DAR 7 . SING CB CG no N 7 . c50202_6yfy DAR 8 . SING CB HB2 no N 8 . c50202_6yfy DAR 9 . SING CB HB3 no N 9 . c50202_6yfy DAR 10 . SING CG CD no N 10 . c50202_6yfy DAR 11 . SING CG HG2 no N 11 . c50202_6yfy DAR 12 . SING CG HG3 no N 12 . c50202_6yfy DAR 13 . SING CD NE no N 13 . c50202_6yfy DAR 14 . SING CD HD2 no N 14 . c50202_6yfy DAR 15 . SING CD HD3 no N 15 . c50202_6yfy DAR 16 . SING NE CZ no N 16 . c50202_6yfy DAR 17 . SING NE HE no N 17 . c50202_6yfy DAR 18 . SING CZ NH1 no N 18 . c50202_6yfy DAR 19 . DOUB CZ NH2 no N 19 . c50202_6yfy DAR 20 . SING NH1 HH11 no N 20 . c50202_6yfy DAR 21 . SING NH1 HH12 no N 21 . c50202_6yfy DAR 22 . SING NH2 HH21 no N 22 . c50202_6yfy DAR 23 . SING NH2 HH22 no N 23 . c50202_6yfy DAR 24 . DOUB C O no N 24 . c50202_6yfy DAR 25 . SING C OXT no N 25 . c50202_6yfy DAR 26 . SING OXT HXT no N 26 . c50202_6yfy DAR stop_ save_ save_chem_comp_28J _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_28J _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID 28J _Chem_comp.Provenance PDB _Chem_comp.Name D-alloisoleucine _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code 28J _Chem_comp.PDB_code 28J _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-17 _Chem_comp.Modified_date 2014-05-17 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 28J _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 9 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/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 . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H13 N O2' _Chem_comp.Formula_weight 131.173 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4MEX _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 AGPKZVBTJJNPAG-CRCLSJGQSA-N InChIKey InChI 1.03 c50202_6yfy 28J CCC(C)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.6 c50202_6yfy 28J CC[C@H](C)[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.385 c50202_6yfy 28J CC[C@H](C)[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c50202_6yfy 28J CC[CH](C)[CH](N)C(O)=O SMILES CACTVS 3.385 c50202_6yfy 28J InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1 InChI InChI 1.03 c50202_6yfy 28J O=C(O)C(N)C(C)CC SMILES ACDLabs 12.01 c50202_6yfy 28J 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,3S)-2-azanyl-3-methyl-pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c50202_6yfy 28J D-alloisoleucine 'SYSTEMATIC NAME' ACDLabs 12.01 c50202_6yfy 28J 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 . . . . 20.526 . 105.474 . 2.699 . 0.320 1.741 -0.550 1 . c50202_6yfy 28J CA CA CA CA . C . . R 0 . . . 1 no no . . . . 19.144 . 104.988 . 2.487 . 0.367 0.279 -0.686 2 . c50202_6yfy 28J CB CB CB CB . C . . S 0 . . . 1 no no . . . . 18.318 . 106.009 . 1.703 . -0.823 -0.341 0.050 3 . c50202_6yfy 28J CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 18.162 . 105.537 . 0.256 . -0.828 0.137 1.504 4 . c50202_6yfy 28J CG1 CG1 CG1 CG1 . C . . N 0 . . . 1 no no . . . . 16.937 . 106.151 . 2.345 . -2.123 0.087 -0.632 5 . c50202_6yfy 28J CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 no no . . . . 16.726 . 107.601 . 2.788 . -3.304 -0.630 0.025 6 . c50202_6yfy 28J C C C C . C . . N 0 . . . 1 no no . . . . 18.542 . 104.751 . 3.718 . 1.651 -0.240 -0.090 7 . c50202_6yfy 28J O O O O . O . . N 0 . . . 1 no no . . . . 18.382 . 105.665 . 4.526 . 2.267 0.436 0.699 8 . c50202_6yfy 28J H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 21.045 . 104.791 . 3.213 . 0.361 2.015 0.420 9 . c50202_6yfy 28J H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 19.183 . 104.057 . 1.902 . 0.322 0.010 -1.741 10 . c50202_6yfy 28J H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 18.830 . 106.982 . 1.717 . -0.740 -1.427 0.025 11 . c50202_6yfy 28J H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 19.155 . 105.435 . -0.206 . -0.911 1.224 1.529 12 . c50202_6yfy 28J H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . 17.649 . 104.564 . 0.241 . -1.676 -0.304 2.028 13 . c50202_6yfy 28J H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . 17.569 . 106.273 . -0.308 . 0.098 -0.168 1.990 14 . c50202_6yfy 28J H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . 16.163 . 105.875 . 1.614 . -2.250 1.165 -0.530 15 . c50202_6yfy 28J H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . 16.869 . 105.487 . 3.219 . -2.082 -0.175 -1.690 16 . c50202_6yfy 28J H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . 15.733 . 107.703 . 3.250 . -3.178 -1.708 -0.078 17 . c50202_6yfy 28J H29 H29 H29 H29 . H . . N 0 . . . 1 no no . . . . 17.500 . 107.877 . 3.519 . -3.345 -0.368 1.082 18 . c50202_6yfy 28J H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . 16.794 . 108.265 . 1.914 . -4.231 -0.325 -0.461 19 . c50202_6yfy 28J H2 H2 H2 H2 . H . . N 0 . . . 1 no yes . . . . 20.964 . 105.629 . 1.814 . 1.059 2.177 -1.081 20 . c50202_6yfy 28J OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . 2.110 -1.452 -0.438 21 . c50202_6yfy 28J HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . 2.938 -1.742 -0.030 22 . c50202_6yfy 28J 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 CG2 CB no N 1 . c50202_6yfy 28J 2 . SING CB CG1 no N 2 . c50202_6yfy 28J 3 . SING CB CA no N 3 . c50202_6yfy 28J 4 . SING CG1 CD1 no N 4 . c50202_6yfy 28J 5 . SING CA N no N 5 . c50202_6yfy 28J 6 . SING CA C no N 6 . c50202_6yfy 28J 7 . DOUB C O no N 7 . c50202_6yfy 28J 8 . SING N H20 no N 8 . c50202_6yfy 28J 9 . SING CA H21 no N 9 . c50202_6yfy 28J 10 . SING CB H22 no N 10 . c50202_6yfy 28J 11 . SING CG2 H23 no N 11 . c50202_6yfy 28J 12 . SING CG2 H24 no N 12 . c50202_6yfy 28J 13 . SING CG2 H25 no N 13 . c50202_6yfy 28J 14 . SING CG1 H26 no N 14 . c50202_6yfy 28J 15 . SING CG1 H27 no N 15 . c50202_6yfy 28J 16 . SING CD1 H28 no N 16 . c50202_6yfy 28J 17 . SING CD1 H29 no N 17 . c50202_6yfy 28J 18 . SING CD1 H30 no N 18 . c50202_6yfy 28J 19 . SING N H2 no N 19 . c50202_6yfy 28J 20 . SING C OXT no N 20 . c50202_6yfy 28J 21 . SING OXT HXT no N 21 . c50202_6yfy 28J stop_ save_ save_chem_comp_DTH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DTH _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID DTH _Chem_comp.Provenance PDB _Chem_comp.Name D-THREONINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DTH _Chem_comp.PDB_code DTH _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 T _Chem_comp.Three_letter_code DTH _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 8 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/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 . _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 'C4 H9 N O3' _Chem_comp.Formula_weight 119.119 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site 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 AYFVYJQAPQTCCC-STHAYSLISA-N InChIKey InChI 1.03 c50202_6yfy DTH CC(C(C(=O)O)N)O SMILES 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DTH C[C@@H]([C@H](C(=O)O)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DTH C[C@H](O)[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c50202_6yfy DTH C[CH](O)[CH](N)C(O)=O SMILES CACTVS 3.341 c50202_6yfy DTH InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1 InChI InChI 1.03 c50202_6yfy DTH O=C(O)C(N)C(O)C SMILES ACDLabs 10.04 c50202_6yfy DTH 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,3S)-2-amino-3-hydroxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DTH D-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 c50202_6yfy DTH 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 . . . . 35.423 . 40.675 . 60.977 . 0.402 -1.692 -0.300 1 . c50202_6yfy DTH CA CA CA CA . C . . R 0 . . . 1 no no . . . . 34.985 . 41.140 . 59.656 . 0.054 -0.310 -0.658 2 . c50202_6yfy DTH CB CB CB CB . C . . S 0 . . . 1 no no . . . . 35.147 . 40.003 . 58.616 . 1.085 0.648 -0.058 3 . c50202_6yfy DTH CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 34.696 . 40.425 . 57.198 . 2.473 0.313 -0.608 4 . c50202_6yfy DTH OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 34.361 . 38.874 . 59.019 . 1.091 0.511 1.365 5 . c50202_6yfy DTH C C C C . C . . N 0 . . . 1 no no . . . . 35.828 . 42.378 . 59.254 . -1.313 0.020 -0.116 6 . c50202_6yfy DTH O O O O . O . . N 0 . . . 1 no no . . . . 37.051 . 42.287 . 59.273 . -1.781 -0.637 0.784 7 . c50202_6yfy DTH OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 35.235 . 43.404 . 58.961 . -2.011 1.043 -0.633 8 . c50202_6yfy DTH H H H H . H . . N 0 . . . 1 no no . . . . 35.523 . 39.680 . 60.965 . 1.358 -1.834 -0.590 9 . c50202_6yfy DTH HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 36.302 . 41.095 . 61.204 . 0.394 -1.741 0.708 10 . c50202_6yfy DTH HA HA HA HA . H . . N 0 . . . 1 no no . . . . 33.923 . 41.423 . 59.690 . 0.049 -0.206 -1.743 11 . c50202_6yfy DTH HB HB HB HB . H . . N 0 . . . 1 no no . . . . 36.218 . 39.755 . 58.576 . 0.827 1.673 -0.323 12 . c50202_6yfy DTH HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 33.601 . 40.525 . 57.176 . 3.208 0.995 -0.180 13 . c50202_6yfy DTH HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 35.158 . 41.389 . 56.938 . 2.731 -0.712 -0.342 14 . c50202_6yfy DTH HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 35.009 . 39.661 . 56.471 . 2.469 0.417 -1.693 15 . c50202_6yfy DTH HG1 HG1 HG1 HOG . H . . N 0 . . . 1 no no . . . . 34.187 . 38.323 . 58.265 . 1.752 1.130 1.703 16 . c50202_6yfy DTH HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 35.864 . 44.087 . 58.760 . -2.889 1.254 -0.286 17 . c50202_6yfy DTH 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 . c50202_6yfy DTH 2 . SING N H no N 2 . c50202_6yfy DTH 3 . SING N HN2 no N 3 . c50202_6yfy DTH 4 . SING CA CB no N 4 . c50202_6yfy DTH 5 . SING CA C no N 5 . c50202_6yfy DTH 6 . SING CA HA no N 6 . c50202_6yfy DTH 7 . SING CB CG2 no N 7 . c50202_6yfy DTH 8 . SING CB OG1 no N 8 . c50202_6yfy DTH 9 . SING CB HB no N 9 . c50202_6yfy DTH 10 . SING CG2 HG21 no N 10 . c50202_6yfy DTH 11 . SING CG2 HG22 no N 11 . c50202_6yfy DTH 12 . SING CG2 HG23 no N 12 . c50202_6yfy DTH 13 . SING OG1 HG1 no N 13 . c50202_6yfy DTH 14 . DOUB C O no N 14 . c50202_6yfy DTH 15 . SING C OXT no N 15 . c50202_6yfy DTH 16 . SING OXT HXT no N 16 . c50202_6yfy DTH stop_ save_ save_chem_comp_DAL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAL _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID DAL _Chem_comp.Provenance PDB _Chem_comp.Name D-ALANINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAL _Chem_comp.PDB_code DAL _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 A _Chem_comp.Three_letter_code DAL _Chem_comp.Number_atoms_all 13 _Chem_comp.Number_atoms_nh 6 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/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 no _Chem_comp.Formula 'C3 H7 N O2' _Chem_comp.Formula_weight 89.093 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site 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 CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAL C[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c50202_6yfy DAL C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAL C[CH](N)C(O)=O SMILES CACTVS 3.341 c50202_6yfy DAL InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 InChI InChI 1.03 c50202_6yfy DAL O=C(O)C(N)C SMILES ACDLabs 10.04 c50202_6yfy DAL QNAYBMKLOCPYGJ-UWTATZPHSA-N InChIKey InChI 1.03 c50202_6yfy DAL 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-aminopropanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c50202_6yfy DAL D-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c50202_6yfy DAL 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 . . . . 17.005 . 31.325 . 27.552 . -1.564 -0.992 0.101 1 . c50202_6yfy DAL CA CA CA CA . C . . R 0 . . . 1 no no . . . . 17.495 . 30.650 . 26.346 . -0.724 0.176 0.402 2 . c50202_6yfy DAL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 16.859 . 31.287 . 25.124 . -1.205 1.374 -0.420 3 . c50202_6yfy DAL C C C C . C . . N 0 . . . 1 no no . . . . 17.165 . 29.151 . 26.377 . 0.709 -0.132 0.051 4 . c50202_6yfy DAL O O O O . O . . N 0 . . . 1 no no . . . . 16.244 . 28.758 . 27.139 . 1.001 -1.213 -0.403 5 . c50202_6yfy DAL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.840 . 28.394 . 25.631 . 1.660 0.795 0.243 6 . c50202_6yfy DAL H H H H . H . . N 0 . . . 1 no no . . . . 16.893 . 30.656 . 28.287 . -1.281 -1.723 0.736 7 . c50202_6yfy DAL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 17.663 . 32.023 . 27.834 . -2.509 -0.741 0.351 8 . c50202_6yfy DAL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 18.589 . 30.759 . 26.304 . -0.796 0.411 1.464 9 . c50202_6yfy DAL HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . 16.705 . 32.361 . 25.308 . -1.133 1.139 -1.481 10 . c50202_6yfy DAL HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . 17.521 . 31.155 . 24.255 . -2.241 1.597 -0.166 11 . c50202_6yfy DAL HB3 HB3 HB3 3HB . H . . N 0 . . . 1 no no . . . . 15.890 . 30.807 . 24.923 . -0.582 2.240 -0.197 12 . c50202_6yfy DAL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 17.544 . 27.498 . 25.738 . 2.580 0.598 0.018 13 . c50202_6yfy DAL 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 . c50202_6yfy DAL 2 . SING N H no N 2 . c50202_6yfy DAL 3 . SING N H2 no N 3 . c50202_6yfy DAL 4 . SING CA CB no N 4 . c50202_6yfy DAL 5 . SING CA C no N 5 . c50202_6yfy DAL 6 . SING CA HA no N 6 . c50202_6yfy DAL 7 . SING CB HB1 no N 7 . c50202_6yfy DAL 8 . SING CB HB2 no N 8 . c50202_6yfy DAL 9 . SING CB HB3 no N 9 . c50202_6yfy DAL 10 . DOUB C O no N 10 . c50202_6yfy DAL 11 . SING C OXT no N 11 . c50202_6yfy DAL 12 . SING OXT HXT no N 12 . c50202_6yfy DAL stop_ save_ save_chem_comp_DGL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DGL _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID DGL _Chem_comp.Provenance PDB _Chem_comp.Name 'D-GLUTAMIC ACID' _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DGL _Chem_comp.PDB_code DGL _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 E _Chem_comp.Three_letter_code DGL _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/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 no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _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 1CZQ _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 C(CC(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.0 c50202_6yfy DGL C(CC(=O)O)[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c50202_6yfy DGL InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 InChI InChI 1.03 c50202_6yfy DGL N[C@H](CCC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 c50202_6yfy DGL N[CH](CCC(O)=O)C(O)=O SMILES CACTVS 3.370 c50202_6yfy DGL O=C(O)C(N)CCC(=O)O SMILES ACDLabs 12.01 c50202_6yfy DGL WHUUTDBJXJRKMK-GSVOUGTGSA-N InChIKey InChI 1.03 c50202_6yfy DGL 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-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c50202_6yfy DGL 'D-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 c50202_6yfy DGL 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 . . . . 15.813 . -4.736 . 28.474 . -1.198 1.861 -0.122 1 . c50202_6yfy DGL CA CA CA CA . C . . R 0 . . . 1 no no . . . . 14.782 . -5.702 . 28.834 . -1.130 0.510 0.451 2 . c50202_6yfy DGL C C C C . C . . N 0 . . . 1 no no . . . . 14.875 . -6.180 . 30.276 . -2.352 -0.272 0.040 3 . c50202_6yfy DGL O O O O . O . . N 0 . . . 1 no no . . . . 14.832 . -7.381 . 30.553 . -2.999 0.079 -0.918 4 . c50202_6yfy DGL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 13.397 . -5.090 . 28.574 . 0.125 -0.199 -0.062 5 . c50202_6yfy DGL CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.060 . -4.844 . 27.093 . 1.368 0.525 0.460 6 . c50202_6yfy DGL CD CD CD CD . C . . N 0 . . . 1 no no . . . . 13.663 . -3.568 . 26.500 . 2.605 -0.173 -0.045 7 . c50202_6yfy DGL OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . 14.422 . -2.859 . 27.182 . 2.502 -1.149 -0.750 8 . c50202_6yfy DGL OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 no no . . . . 13.367 . -3.264 . 25.323 . 3.820 0.290 0.289 9 . c50202_6yfy DGL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 15.022 . -5.237 . 31.196 . -2.720 -1.357 0.738 10 . c50202_6yfy DGL H H H H . H . . N 0 . . . 1 no no . . . . 15.696 . -4.464 . 27.519 . -1.236 1.826 -1.129 11 . c50202_6yfy DGL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 15.735 . -3.931 . 29.062 . -1.984 2.373 0.252 12 . c50202_6yfy DGL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.940 . -6.589 . 28.203 . -1.091 0.577 1.538 13 . c50202_6yfy DGL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . 12.645 . -5.785 . 28.976 . 0.130 -1.230 0.291 14 . c50202_6yfy DGL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . 13.359 . -4.119 . 29.090 . 0.129 -0.188 -1.152 15 . c50202_6yfy DGL HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . 13.446 . -5.697 . 26.516 . 1.363 1.556 0.107 16 . c50202_6yfy DGL HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . 11.966 . -4.769 . 27.006 . 1.364 0.514 1.550 17 . c50202_6yfy DGL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 13.804 . -2.455 . 25.085 . 4.583 -0.191 -0.059 18 . c50202_6yfy DGL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 15.084 . -5.639 . 32.055 . -3.510 -1.826 0.436 19 . c50202_6yfy DGL 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 . c50202_6yfy DGL 2 . SING N H no N 2 . c50202_6yfy DGL 3 . SING N H2 no N 3 . c50202_6yfy DGL 4 . SING CA C no N 4 . c50202_6yfy DGL 5 . SING CA CB no N 5 . c50202_6yfy DGL 6 . SING CA HA no N 6 . c50202_6yfy DGL 7 . DOUB C O no N 7 . c50202_6yfy DGL 8 . SING C OXT no N 8 . c50202_6yfy DGL 9 . SING CB CG no N 9 . c50202_6yfy DGL 10 . SING CB HB2 no N 10 . c50202_6yfy DGL 11 . SING CB HB3 no N 11 . c50202_6yfy DGL 12 . SING CG CD no N 12 . c50202_6yfy DGL 13 . SING CG HG2 no N 13 . c50202_6yfy DGL 14 . SING CG HG3 no N 14 . c50202_6yfy DGL 15 . DOUB CD OE1 no N 15 . c50202_6yfy DGL 16 . SING CD OE2 no N 16 . c50202_6yfy DGL 17 . SING OE2 HE2 no N 17 . c50202_6yfy DGL 18 . SING OXT HXT no N 18 . c50202_6yfy DGL stop_ save_ save_chem_comp_GGL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GGL _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID GGL _Chem_comp.Provenance PDB _Chem_comp.Name 'GAMMA-L-GLUTAMIC ACID' _Chem_comp.Type 'L-GAMMA-PEPTIDE, C-DELTA LINKING' _Chem_comp.BMRB_code GGL _Chem_comp.PDB_code GGL _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 E _Chem_comp.Three_letter_code GGL _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/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 . _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 'L-GLUTAMIC ACID' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _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 C(CC(=O)O)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.2 c50202_6yfy GGL C(CC(=O)O)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 c50202_6yfy GGL InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 InChI InChI 1.03 c50202_6yfy GGL N[C@@H](CCC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.370 c50202_6yfy GGL N[CH](CCC(O)=O)C(O)=O SMILES CACTVS 3.370 c50202_6yfy GGL O=C(O)C(N)CCC(=O)O SMILES ACDLabs 12.01 c50202_6yfy GGL WHUUTDBJXJRKMK-VKHMYHEASA-N InChIKey InChI 1.03 c50202_6yfy GGL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 c50202_6yfy GGL 'L-glutamic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 c50202_6yfy GGL 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 . . . . 88.261 . -7.660 . -9.990 . 1.199 1.867 -0.117 1 . c50202_6yfy GGL CA CA CA CA . C . . S 0 . . . 1 no no . . . . 87.744 . -7.276 . -11.334 . 1.138 0.515 0.453 2 . c50202_6yfy GGL C C C C . C . . N 0 . . . 1 no no . . . . 88.474 . -6.030 . -11.811 . 2.364 -0.260 0.041 3 . c50202_6yfy GGL O O O O . O . . N 0 . . . 1 no no . . . . 88.969 . -5.292 . -10.943 . 3.010 0.096 -0.916 4 . c50202_6yfy GGL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 86.234 . -7.012 . -11.267 . -0.113 -0.200 -0.062 5 . c50202_6yfy GGL CG CG CG CG . C . . N 0 . . . 1 no no . . . . 85.437 . -8.194 . -10.746 . -1.360 0.517 0.461 6 . c50202_6yfy GGL CD CD CD CD . C . . N 0 . . . 1 no no . . . . 83.937 . -7.944 . -10.707 . -2.593 -0.187 -0.046 7 . c50202_6yfy GGL OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . 83.425 . -7.140 . -11.520 . -2.485 -1.161 -0.753 8 . c50202_6yfy GGL OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 no yes . . . . 83.260 . -8.567 . -9.862 . -3.811 0.269 0.287 9 . c50202_6yfy GGL OXT OXT OXT OXT . O . . N 0 . . . 1 no no . . . . 88.543 . -5.801 . -13.033 . 2.737 -1.345 0.737 10 . c50202_6yfy GGL H H H H . H . . N 0 . . . 1 no no . . . . 87.785 . -8.479 . -9.671 . 1.237 1.834 -1.125 11 . c50202_6yfy GGL H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 89.241 . -7.847 . -10.051 . 0.421 2.427 0.197 12 . c50202_6yfy GGL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 87.920 . -8.099 . -12.043 . 1.098 0.580 1.540 13 . c50202_6yfy GGL HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . 86.064 . -6.160 . -10.592 . -0.117 -0.187 -1.152 14 . c50202_6yfy GGL HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . 85.881 . -6.781 . -12.283 . -0.113 -1.231 0.289 15 . c50202_6yfy GGL HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . 85.624 . -9.052 . -11.408 . -1.357 0.504 1.551 16 . c50202_6yfy GGL HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . 85.775 . -8.411 . -9.722 . -1.360 1.548 0.109 17 . c50202_6yfy GGL HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no yes . . . . 82.345 . -8.328 . -9.951 . -4.571 -0.215 -0.062 18 . c50202_6yfy GGL HXT HXT HXT HXT . H . . N 0 . . . 1 no no . . . . 89.022 . -4.994 . -13.178 . 3.530 -1.809 0.435 19 . c50202_6yfy GGL 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 . c50202_6yfy GGL 2 . SING N H no N 2 . c50202_6yfy GGL 3 . SING N H2 no N 3 . c50202_6yfy GGL 4 . SING CA C no N 4 . c50202_6yfy GGL 5 . SING CA CB no N 5 . c50202_6yfy GGL 6 . SING CA HA no N 6 . c50202_6yfy GGL 7 . DOUB C O no N 7 . c50202_6yfy GGL 8 . SING C OXT no N 8 . c50202_6yfy GGL 9 . SING CB CG no N 9 . c50202_6yfy GGL 10 . SING CB HB2 no N 10 . c50202_6yfy GGL 11 . SING CB HB3 no N 11 . c50202_6yfy GGL 12 . SING CG CD no N 12 . c50202_6yfy GGL 13 . SING CG HG2 no N 13 . c50202_6yfy GGL 14 . SING CG HG3 no N 14 . c50202_6yfy GGL 15 . DOUB CD OE1 no N 15 . c50202_6yfy GGL 16 . SING CD OE2 no N 16 . c50202_6yfy GGL 17 . SING OE2 HE2 no N 17 . c50202_6yfy GGL 18 . SING OXT HXT no N 18 . c50202_6yfy GGL stop_ save_ save_chem_comp_MUB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MUB _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID MUB _Chem_comp.Provenance PDB _Chem_comp.Name 'N-ACETYLMURAMIC ACID' _Chem_comp.Type 'D-SACCHARIDE, ALPHA LINKING' _Chem_comp.BMRB_code MUB _Chem_comp.PDB_code MUB _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2020-01-26 _Chem_comp.Modified_date 2020-01-26 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MUB _Chem_comp.Number_atoms_all 39 _Chem_comp.Number_atoms_nh 20 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/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 no _Chem_comp.Formula 'C11 H19 N O8' _Chem_comp.Formula_weight 293.270 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye/OEToolkits V1.4.2' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C SMILES 'OpenEye OEToolkits' 1.5.0 c50202_6yfy MUB C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 c50202_6yfy MUB C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c50202_6yfy MUB C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O SMILES CACTVS 3.341 c50202_6yfy MUB ; InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1 ; InChI InChI 1.03 c50202_6yfy MUB MNLRQHMNZILYPY-MDMHTWEWSA-N InChIKey InChI 1.03 c50202_6yfy MUB O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C SMILES ACDLabs 10.04 c50202_6yfy MUB 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-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c50202_6yfy MUB 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 c50202_6yfy MUB MurNAc 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 c50202_6yfy MUB a-D-GlcpNAc3 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 c50202_6yfy MUB stop_ loop_ _PDBX_chem_comp_feature.Type _PDBX_chem_comp_feature.Value _PDBX_chem_comp_feature.Source _PDBX_chem_comp_feature.Support _PDBX_chem_comp_feature.Entry_ID _PDBX_chem_comp_feature.Comp_ID 'CARBOHYDRATE ANOMER' alpha PDB . c50202_6yfy MUB 'CARBOHYDRATE ISOMER' D PDB . c50202_6yfy MUB 'CARBOHYDRATE RING' pyranose PDB . c50202_6yfy MUB 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 C1 C1 C1 C1 . C . . S 0 . . . 1 no no . . . . -0.744 . 9.346 . -2.817 . 1.370 2.611 1.828 1 . c50202_6yfy MUB C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . -0.305 . 10.579 . -3.591 . 1.297 1.601 0.676 2 . c50202_6yfy MUB C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . -0.257 . 10.290 . -5.081 . 0.157 0.600 0.905 3 . c50202_6yfy MUB C4 C4 C4 C4 . C . . S 0 . . . 1 no no . . . . 0.439 . 8.944 . -5.283 . -1.154 1.294 1.291 4 . c50202_6yfy MUB C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . -0.371 . 7.833 . -4.636 . -0.979 2.416 2.329 5 . c50202_6yfy MUB C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 0.516 . 6.858 . -3.884 . -0.872 1.912 3.767 6 . c50202_6yfy MUB C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -2.258 . 11.901 . -4.031 . 1.679 1.779 -1.778 7 . c50202_6yfy MUB C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -3.084 . 13.120 . -3.691 . 1.401 2.630 -2.973 8 . c50202_6yfy MUB C9 C9 C9 C9 . C . . R 0 . . . 1 no no . . . . 1.631 . 11.693 . -4.967 . -0.056 -1.583 1.745 9 . c50202_6yfy MUB C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 2.932 . 10.928 . -5.153 . 0.888 -2.408 0.896 10 . c50202_6yfy MUB C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 1.694 . 13.023 . -4.221 . -0.272 -2.220 3.106 11 . c50202_6yfy MUB O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -1.711 . 9.690 . -1.887 . 2.406 3.552 1.554 12 . c50202_6yfy MUB O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 0.469 . 11.347 . -5.743 . 0.523 -0.304 1.947 13 . c50202_6yfy MUB O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 0.651 . 8.619 . -6.670 . -1.709 1.864 0.102 14 . c50202_6yfy MUB O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . -1.322 . 8.373 . -3.693 . 0.119 3.275 1.999 15 . c50202_6yfy MUB O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . -0.222 . 6.098 . -2.935 . -2.062 1.217 4.089 16 . c50202_6yfy MUB O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . -2.763 . 10.998 . -4.697 . 2.329 0.748 -1.909 17 . c50202_6yfy MUB O11 O11 O11 O11 . O . . N 0 . . . 1 no no . . . . 3.086 . 9.857 . -4.396 . 0.394 -3.645 0.631 18 . c50202_6yfy MUB O10 O10 O10 O10 . O . . N 0 . . . 1 no no . . . . 3.844 . 11.436 . -5.804 . 1.983 -2.029 0.500 19 . c50202_6yfy MUB N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -1.164 . 11.712 . -3.327 . 1.148 2.270 -0.600 20 . c50202_6yfy MUB H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . 0.134 . 8.959 . -2.289 . 1.640 2.111 2.764 21 . c50202_6yfy MUB H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . 0.683 . 10.860 . -3.196 . 2.256 1.073 0.614 22 . c50202_6yfy MUB HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . -0.796 . 12.463 . -2.812 . 0.627 3.142 -0.630 23 . c50202_6yfy MUB H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . -3.920 . 13.186 . -4.361 . 2.323 2.982 -3.463 24 . c50202_6yfy MUB H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . -2.454 . 13.993 . -3.787 . 0.844 2.089 -3.754 25 . c50202_6yfy MUB H83 H83 H83 3H8 . H . . N 0 . . . 1 no no . . . . -3.431 . 13.035 . -2.675 . 0.812 3.541 -2.776 26 . c50202_6yfy MUB H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -1.271 . 10.215 . -5.557 . 0.008 -0.001 0.000 27 . c50202_6yfy MUB H9 H9 H9 9H . H . . N 0 . . . 1 no no . . . . 1.140 . 10.966 . -4.250 . -1.004 -1.446 1.214 28 . c50202_6yfy MUB H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 1.329 . 13.821 . -4.870 . 0.300 -3.150 3.198 29 . c50202_6yfy MUB H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 2.698 . 13.222 . -3.966 . -1.327 -2.480 3.245 30 . c50202_6yfy MUB H113 H113 H113 3H11 . H . . N 0 . . . 0 no no . . . . 1.104 . 12.949 . -3.310 . 0.032 -1.554 3.920 31 . c50202_6yfy MUB H4A H4A H4A 4H . H . . N 0 . . . 1 no no . . . . 1.417 . 9.225 . -4.828 . -1.881 0.562 1.662 32 . c50202_6yfy MUB H5 H5 H5 5H . H . . N 0 . . . 1 no no . . . . -0.901 . 7.247 . -5.403 . -1.866 3.059 2.290 33 . c50202_6yfy MUB H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 1.390 . 7.316 . -3.397 . -0.750 2.754 4.447 34 . c50202_6yfy MUB H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 0.937 . 6.230 . -4.710 . -0.023 1.235 3.861 35 . c50202_6yfy MUB HO6 HO6 HO6 6HO . H . . N 0 . . . 1 no yes . . . . -0.679 . 6.623 . -2.264 . -2.491 1.705 4.813 36 . c50202_6yfy MUB H4 H4 H4 H4 . H . . N 0 . . . 1 no yes . . . . 1.084 . 7.782 . -6.795 . -1.965 1.121 -0.466 37 . c50202_6yfy MUB H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 3.899 . 9.379 . -4.512 . 0.979 -4.221 0.095 38 . c50202_6yfy MUB HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no yes . . . . -1.985 . 8.920 . -1.403 . 3.054 3.094 0.997 39 . c50202_6yfy MUB 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 C1 C2 no N 1 . c50202_6yfy MUB 2 . SING C2 C3 no N 2 . c50202_6yfy MUB 3 . SING C3 C4 no N 3 . c50202_6yfy MUB 4 . SING C4 C5 no N 4 . c50202_6yfy MUB 5 . SING C5 C6 no N 5 . c50202_6yfy MUB 6 . SING C7 C8 no N 6 . c50202_6yfy MUB 7 . SING C9 C10 no N 7 . c50202_6yfy MUB 8 . SING C9 C11 no N 8 . c50202_6yfy MUB 9 . SING C1 O1 no N 9 . c50202_6yfy MUB 10 . SING C3 O3 no N 10 . c50202_6yfy MUB 11 . SING C9 O3 no N 11 . c50202_6yfy MUB 12 . SING C4 O4 no N 12 . c50202_6yfy MUB 13 . SING C1 O5 no N 13 . c50202_6yfy MUB 14 . SING C5 O5 no N 14 . c50202_6yfy MUB 15 . SING C6 O6 no N 15 . c50202_6yfy MUB 16 . DOUB C7 O7 no N 16 . c50202_6yfy MUB 17 . SING C10 O11 no N 17 . c50202_6yfy MUB 18 . DOUB C10 O10 no N 18 . c50202_6yfy MUB 19 . SING C2 N2 no N 19 . c50202_6yfy MUB 20 . SING C7 N2 no N 20 . c50202_6yfy MUB 21 . SING C1 H1 no N 21 . c50202_6yfy MUB 22 . SING C2 H2 no N 22 . c50202_6yfy MUB 23 . SING N2 HN2 no N 23 . c50202_6yfy MUB 24 . SING C8 H81 no N 24 . c50202_6yfy MUB 25 . SING C8 H82 no N 25 . c50202_6yfy MUB 26 . SING C8 H83 no N 26 . c50202_6yfy MUB 27 . SING C3 H3 no N 27 . c50202_6yfy MUB 28 . SING C9 H9 no N 28 . c50202_6yfy MUB 29 . SING C11 H111 no N 29 . c50202_6yfy MUB 30 . SING C11 H112 no N 30 . c50202_6yfy MUB 31 . SING C11 H113 no N 31 . c50202_6yfy MUB 32 . SING C4 H4A no N 32 . c50202_6yfy MUB 33 . SING C5 H5 no N 33 . c50202_6yfy MUB 34 . SING C6 H61 no N 34 . c50202_6yfy MUB 35 . SING C6 H62 no N 35 . c50202_6yfy MUB 36 . SING O6 HO6 no N 36 . c50202_6yfy MUB 37 . SING O4 H4 no N 37 . c50202_6yfy MUB 38 . SING O11 H1' no N 38 . c50202_6yfy MUB 39 . SING O1 HO1 no N 39 . c50202_6yfy MUB stop_ save_ save_chem_comp_NAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAG _Chem_comp.Entry_ID c50202_6yfy _Chem_comp.ID NAG _Chem_comp.Provenance PDB _Chem_comp.Name N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type 'D-SACCHARIDE, BETA LINKING' _Chem_comp.BMRB_code NAG _Chem_comp.PDB_code NAG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-01-26 _Chem_comp.Modified_date 2020-01-26 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAG _Chem_comp.Number_atoms_all 30 _Chem_comp.Number_atoms_nh 15 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/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 no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _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 8PCH _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 CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.7.6 c50202_6yfy NAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c50202_6yfy NAG CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 c50202_6yfy NAG CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.370 c50202_6yfy NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 InChI InChI 1.03 c50202_6yfy NAG O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 12.01 c50202_6yfy NAG OVRNDRQMDRJTHS-FMDGEEDCSA-N InChIKey InChI 1.03 c50202_6yfy NAG 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-(acetylamino)-2-deoxy-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 c50202_6yfy NAG DGlcpNAcb 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 c50202_6yfy NAG GlcNAc 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 c50202_6yfy NAG N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c50202_6yfy NAG N-acetyl-b-D-glucopyranosamine 'COMMON NAME' GMML 1.0 c50202_6yfy NAG b-D-GlcpNAc 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 c50202_6yfy NAG stop_ loop_ _PDBX_chem_comp_feature.Type _PDBX_chem_comp_feature.Value _PDBX_chem_comp_feature.Source _PDBX_chem_comp_feature.Support _PDBX_chem_comp_feature.Entry_ID _PDBX_chem_comp_feature.Comp_ID 'CARBOHYDRATE ANOMER' beta PDB . c50202_6yfy NAG 'CARBOHYDRATE ISOMER' D PDB . c50202_6yfy NAG 'CARBOHYDRATE RING' pyranose PDB . c50202_6yfy NAG 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 C1 C1 C1 C1 . C . . R 0 . . . 1 no no . . . . 7.396 . 28.163 . 26.662 . 0.185 1.082 -0.421 1 . c50202_6yfy NAG C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . 6.973 . 29.233 . 27.644 . 0.790 -0.220 0.112 2 . c50202_6yfy NAG C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . 7.667 . 29.055 . 29.000 . -0.124 -1.390 -0.265 3 . c50202_6yfy NAG C4 C4 C4 C4 . C . . S 0 . . . 1 no no . . . . 7.573 . 27.588 . 29.490 . -1.526 -1.129 0.294 4 . c50202_6yfy NAG C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . 7.902 . 26.592 . 28.373 . -2.042 0.207 -0.246 5 . c50202_6yfy NAG C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 7.599 . 25.173 . 28.797 . -3.417 0.504 0.355 6 . c50202_6yfy NAG C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 6.291 . 31.299 . 26.595 . 3.197 0.157 0.076 7 . c50202_6yfy NAG C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 6.684 . 32.649 . 26.036 . 4.559 -0.052 -0.533 8 . c50202_6yfy NAG N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 7.268 . 30.545 . 27.089 . 2.114 -0.422 -0.480 9 . c50202_6yfy NAG O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . 6.676 . 28.363 . 25.419 . 1.003 2.185 -0.024 10 . c50202_6yfy NAG O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 7.038 . 29.909 . 29.947 . 0.395 -2.600 0.291 11 . c50202_6yfy NAG O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 8.494 . 27.358 . 30.574 . -2.405 -2.180 -0.114 12 . c50202_6yfy NAG O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 7.104 . 26.875 . 27.206 . -1.130 1.248 0.113 13 . c50202_6yfy NAG O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 6.232 . 25.040 . 29.165 . -3.949 1.691 -0.236 14 . c50202_6yfy NAG O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 5.114 . 30.936 . 26.562 . 3.074 0.845 1.067 15 . c50202_6yfy NAG H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 8.477 . 28.257 . 26.481 . 0.133 1.040 -1.509 16 . c50202_6yfy NAG H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 5.888 . 29.146 . 27.803 . 0.879 -0.163 1.197 17 . c50202_6yfy NAG H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 8.729 . 29.321 . 28.892 . -0.174 -1.478 -1.350 18 . c50202_6yfy NAG H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 6.544 . 27.403 . 29.831 . -1.483 -1.091 1.382 19 . c50202_6yfy NAG H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 8.971 . 26.674 . 28.128 . -2.123 0.154 -1.332 20 . c50202_6yfy NAG H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 7.816 . 24.492 . 27.961 . -4.088 -0.333 0.157 21 . c50202_6yfy NAG H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 8.232 . 24.910 . 29.657 . -3.320 0.645 1.431 22 . c50202_6yfy NAG H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 5.791 . 33.159 . 25.646 . 4.560 0.320 -1.558 23 . c50202_6yfy NAG H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 7.136 . 33.258 . 26.833 . 5.305 0.490 0.050 24 . c50202_6yfy NAG H83 H83 H83 H83 . H . . N 0 . . . 1 no no . . . . 7.411 . 32.511 . 25.222 . 4.799 -1.115 -0.532 25 . c50202_6yfy NAG HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 8.210 . 30.881 . 27.079 . 2.212 -0.973 -1.273 26 . c50202_6yfy NAG HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no yes . . . . 6.933 . 27.696 . 24.793 . 0.679 3.044 -0.328 27 . c50202_6yfy NAG HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no yes . . . . 7.459 . 29.809 . 30.793 . -0.135 -3.384 0.091 28 . c50202_6yfy NAG HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no yes . . . . 8.425 . 26.456 . 30.863 . -3.312 -2.079 0.206 29 . c50202_6yfy NAG HO6 HO6 HO6 HO6 . H . . N 0 . . . 1 no yes . . . . 6.060 . 24.143 . 29.428 . -4.822 1.940 0.099 30 . c50202_6yfy NAG 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 C1 C2 no N 1 . c50202_6yfy NAG 2 . SING C1 O1 no N 2 . c50202_6yfy NAG 3 . SING C1 O5 no N 3 . c50202_6yfy NAG 4 . SING C1 H1 no N 4 . c50202_6yfy NAG 5 . SING C2 C3 no N 5 . c50202_6yfy NAG 6 . SING C2 N2 no N 6 . c50202_6yfy NAG 7 . SING C2 H2 no N 7 . c50202_6yfy NAG 8 . SING C3 C4 no N 8 . c50202_6yfy NAG 9 . SING C3 O3 no N 9 . c50202_6yfy NAG 10 . SING C3 H3 no N 10 . c50202_6yfy NAG 11 . SING C4 C5 no N 11 . c50202_6yfy NAG 12 . SING C4 O4 no N 12 . c50202_6yfy NAG 13 . SING C4 H4 no N 13 . c50202_6yfy NAG 14 . SING C5 C6 no N 14 . c50202_6yfy NAG 15 . SING C5 O5 no N 15 . c50202_6yfy NAG 16 . SING C5 H5 no N 16 . c50202_6yfy NAG 17 . SING C6 O6 no N 17 . c50202_6yfy NAG 18 . SING C6 H61 no N 18 . c50202_6yfy NAG 19 . SING C6 H62 no N 19 . c50202_6yfy NAG 20 . SING C7 C8 no N 20 . c50202_6yfy NAG 21 . SING C7 N2 no N 21 . c50202_6yfy NAG 22 . DOUB C7 O7 no N 22 . c50202_6yfy NAG 23 . SING C8 H81 no N 23 . c50202_6yfy NAG 24 . SING C8 H82 no N 24 . c50202_6yfy NAG 25 . SING C8 H83 no N 25 . c50202_6yfy NAG 26 . SING N2 HN2 no N 26 . c50202_6yfy NAG 27 . SING O1 HO1 no N 27 . c50202_6yfy NAG 28 . SING O3 HO3 no N 28 . c50202_6yfy NAG 29 . SING O4 HO4 no N 29 . c50202_6yfy NAG 30 . SING O6 HO6 no N 30 . c50202_6yfy NAG stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c50202_6yfy _Sample.ID 1 _Sample.Name 'Teixobactin 2:1 Lipid II' _Sample.Type Suspention _Sample.Sub_type . _Sample.Details 'Teixobactin 2:1 Lipid II in DOPC liposomes, 4% Lipid II 96% DOPC' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 [R4L10]Teixobactin 'Partially 13C, 15N labelled' . . 1 $entity_1 . . 400 . . nmol . . . . c50202_6yfy 1 2 'Lipid II' 'Partially 13C, 15N labelled' . . 2 $entity_2 . . 200 . . nmol . . . . c50202_6yfy 1 3 DOPC 'natural abundance' . . . . . . 4800 . . nmol . . . . c50202_6yfy 1 4 'Phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . c50202_6yfy 1 5 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . c50202_6yfy 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c50202_6yfy _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Teixobactin liposomes' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM c50202_6yfy 1 pH 7 . pH c50202_6yfy 1 pressure 1 . atm c50202_6yfy 1 temperature 305 . K c50202_6yfy 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c50202_6yfy _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection c50202_6yfy 1 . processing c50202_6yfy 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c50202_6yfy _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' c50202_6yfy 2 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c50202_6yfy _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID c50202_6yfy _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID c50202_6yfy _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 13C/13C PDSD' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c50202_6yfy 1 2 '2D 13C/13C TOBSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c50202_6yfy 1 3 '2D 1H-15N' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c50202_6yfy 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . c50202_6yfy 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . c50202_6yfy 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . c50202_6yfy 1 stop_ save_ 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 c50202_6yfy _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Teixobactin-Lipid2 _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 C 13 adamantane 'methylene carbons' . . . . ppm 31.48 external direct 1 . . . . . c50202_6yfy 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . c50202_6yfy 1 N 15 Histidine nitrogen . . . . ppm 175.17 external direct 1 . . . . . c50202_6yfy 1 stop_ save_ 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 c50202_6yfy _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name [R4L10]Teixobactin_Bound_DOPC _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 3 '2D 1H-15N' . . . c50202_6yfy 1 4 '3D HNCA' . . . c50202_6yfy 1 5 '3D HNCO' . . . c50202_6yfy 1 6 '3D CBCA(CO)NH' . . . c50202_6yfy 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . c50202_6yfy 1 2 $software_2 . . c50202_6yfy 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 2 2 ILE H H 1 8.39 0.03 . 1 . . . . . 2 ILE H . c50202_6yfy 1 2 . 1 . 1 2 2 ILE C C 13 172.75 0.3 . 1 . . . . . 2 ILE C . c50202_6yfy 1 3 . 1 . 1 2 2 ILE CA C 13 59.16 0.3 . 1 . . . . . 2 ILE CA . c50202_6yfy 1 4 . 1 . 1 2 2 ILE CB C 13 42.43 0.3 . 1 . . . . . 2 ILE CB . c50202_6yfy 1 5 . 1 . 1 2 2 ILE CG1 C 13 27.31 0.3 . 1 . . . . . 2 ILE CG1 . c50202_6yfy 1 6 . 1 . 1 2 2 ILE CG2 C 13 16.85 0.3 . 1 . . . . . 2 ILE CG2 . c50202_6yfy 1 7 . 1 . 1 2 2 ILE CD1 C 13 14.97 0.3 . 1 . . . . . 2 ILE CD1 . c50202_6yfy 1 8 . 1 . 1 2 2 ILE N N 15 129.52 0.5 . 1 . . . . . 2 ILE N . c50202_6yfy 1 9 . 1 . 1 3 3 SER H H 1 9.35 0.03 . 1 . . . . . 3 SER H . c50202_6yfy 1 10 . 1 . 1 3 3 SER C C 13 172.47 0.3 . 1 . . . . . 3 SER C . c50202_6yfy 1 11 . 1 . 1 3 3 SER CA C 13 57.14 0.3 . 1 . . . . . 3 SER CA . c50202_6yfy 1 12 . 1 . 1 3 3 SER CB C 13 66.69 0.3 . 1 . . . . . 3 SER CB . c50202_6yfy 1 13 . 1 . 1 3 3 SER N N 15 119.74 0.5 . 1 . . . . . 3 SER N . c50202_6yfy 1 14 . 1 . 1 6 6 ILE H H 1 8.45 0.03 . 1 . . . . . 6 ILE H . c50202_6yfy 1 15 . 1 . 1 6 6 ILE C C 13 176.18 0.3 . 1 . . . . . 6 ILE C . c50202_6yfy 1 16 . 1 . 1 6 6 ILE CA C 13 57.26 0.3 . 1 . . . . . 6 ILE CA . c50202_6yfy 1 17 . 1 . 1 6 6 ILE CB C 13 38.51 0.3 . 1 . . . . . 6 ILE CB . c50202_6yfy 1 18 . 1 . 1 6 6 ILE CG1 C 13 26.82 0.3 . 1 . . . . . 6 ILE CG1 . c50202_6yfy 1 19 . 1 . 1 6 6 ILE CG2 C 13 18.11 0.3 . 1 . . . . . 6 ILE CG2 . c50202_6yfy 1 20 . 1 . 1 6 6 ILE CD1 C 13 12.26 0.3 . 1 . . . . . 6 ILE CD1 . c50202_6yfy 1 21 . 1 . 1 6 6 ILE N N 15 121.26 0.5 . 1 . . . . . 6 ILE N . c50202_6yfy 1 22 . 1 . 1 7 7 SER H H 1 11.57 0.03 . 1 . . . . . 7 SER H . c50202_6yfy 1 23 . 1 . 1 7 7 SER C C 13 176.96 0.3 . 1 . . . . . 7 SER C . c50202_6yfy 1 24 . 1 . 1 7 7 SER CA C 13 61.01 0.3 . 1 . . . . . 7 SER CA . c50202_6yfy 1 25 . 1 . 1 7 7 SER CB C 13 65.07 0.3 . 1 . . . . . 7 SER CB . c50202_6yfy 1 26 . 1 . 1 7 7 SER N N 15 127.09 0.5 . 1 . . . . . 7 SER N . c50202_6yfy 1 27 . 1 . 1 9 9 ALA H H 1 8.6 0.03 . 1 . . . . . 9 ALA H . c50202_6yfy 1 28 . 1 . 1 9 9 ALA C C 13 178.02 0.3 . 1 . . . . . 9 ALA C . c50202_6yfy 1 29 . 1 . 1 9 9 ALA CA C 13 55.8 0.3 . 1 . . . . . 9 ALA CA . c50202_6yfy 1 30 . 1 . 1 9 9 ALA CB C 13 18.57 0.3 . 1 . . . . . 9 ALA CB . c50202_6yfy 1 31 . 1 . 1 9 9 ALA N N 15 126.81 0.5 . 1 . . . . . 9 ALA N . c50202_6yfy 1 32 . 1 . 1 10 10 LEU H H 1 9.25 0.03 . 1 . . . . . 10 LEU H . c50202_6yfy 1 33 . 1 . 1 10 10 LEU C C 13 176.05 0.3 . 1 . . . . . 10 LEU C . c50202_6yfy 1 34 . 1 . 1 10 10 LEU CA C 13 55.38 0.3 . 1 . . . . . 10 LEU CA . c50202_6yfy 1 35 . 1 . 1 10 10 LEU CB C 13 42.52 0.3 . 1 . . . . . 10 LEU CB . c50202_6yfy 1 36 . 1 . 1 10 10 LEU CG C 13 27.2 0.3 . 1 . . . . . 10 LEU CG . c50202_6yfy 1 37 . 1 . 1 10 10 LEU CD1 C 13 26.44 0.3 . 1 . . . . . 10 LEU CD1 . c50202_6yfy 1 38 . 1 . 1 10 10 LEU CD2 C 13 23.51 0.3 . 1 . . . . . 10 LEU CD2 . c50202_6yfy 1 39 . 1 . 1 10 10 LEU N N 15 114.76 0.5 . 1 . . . . . 10 LEU N . c50202_6yfy 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID c50202_6yfy _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name LipidII_Bound_DOPC _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 3 '2D 1H-15N' . . . c50202_6yfy 2 4 '3D HNCA' . . . c50202_6yfy 2 5 '3D HNCO' . . . c50202_6yfy 2 6 '3D CBCA(CO)NH' . . . c50202_6yfy 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . c50202_6yfy 2 2 $software_2 . . c50202_6yfy 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 . 2 . 2 1 1 DAL C C 13 176.86 0.3 . 1 . . . . . 1 DAL C . c50202_6yfy 2 2 . 2 . 2 1 1 DAL CA C 13 52.85 0.3 . 1 . . . . . 1 DAL CA . c50202_6yfy 2 3 . 2 . 2 1 1 DAL CB C 13 19.82 0.3 . 1 . . . . . 1 DAL CB . c50202_6yfy 2 4 . 2 . 2 2 2 DGL CA C 13 34.97 0.3 . 1 . . . . . 2 DGL CA . c50202_6yfy 2 5 . 2 . 2 2 2 DGL CB C 13 31.32 0.3 . 1 . . . . . 2 DGL CB . c50202_6yfy 2 6 . 2 . 2 2 2 DGL CG C 13 57.52 0.3 . 1 . . . . . 2 DGL CG . c50202_6yfy 2 7 . 2 . 2 2 2 DGL CD C 13 180.31 0.3 . 1 . . . . . 2 DGL CD . c50202_6yfy 2 8 . 2 . 2 3 3 LYS CA C 13 57.3 0.3 . 1 . . . . . 3 LYS CA . c50202_6yfy 2 9 . 2 . 2 3 3 LYS CB C 13 33.36 0.3 . 1 . . . . . 3 LYS CB . c50202_6yfy 2 10 . 2 . 2 3 3 LYS CG C 13 25.35 0.3 . 1 . . . . . 3 LYS CG . c50202_6yfy 2 11 . 2 . 2 3 3 LYS CD C 13 29.67 0.3 . 1 . . . . . 3 LYS CD . c50202_6yfy 2 12 . 2 . 2 3 3 LYS CE C 13 42.69 0.3 . 1 . . . . . 3 LYS CE . c50202_6yfy 2 13 . 2 . 2 6 6 MUB C1 C 13 97.91 0.3 . 1 . . . . . 6 NAM C1 . c50202_6yfy 2 14 . 2 . 2 6 6 MUB C2 C 13 56.52 0.3 . 1 . . . . . 6 NAM C2 . c50202_6yfy 2 15 . 2 . 2 6 6 MUB C3 C 13 81.47 0.3 . 1 . . . . . 6 NAM C3 . c50202_6yfy 2 16 . 2 . 2 6 6 MUB C4 C 13 73.24 0.3 . 1 . . . . . 6 NAM C4 . c50202_6yfy 2 17 . 2 . 2 6 6 MUB C5 C 13 76.11 0.3 . 1 . . . . . 6 NAM C5 . c50202_6yfy 2 18 . 2 . 2 6 6 MUB C6 C 13 62.43 0.3 . 1 . . . . . 6 NAM C6 . c50202_6yfy 2 19 . 2 . 2 6 6 MUB C7 C 13 176.51 0.3 . 1 . . . . . 6 NAM C7 . c50202_6yfy 2 20 . 2 . 2 6 6 MUB C8 C 13 25.47 0.3 . 1 . . . . . 6 NAM C8 . c50202_6yfy 2 21 . 2 . 2 6 6 MUB C9 C 13 81.27 0.3 . 1 . . . . . 6 NAM C9 . c50202_6yfy 2 22 . 2 . 2 6 6 MUB C10 C 13 178.4 0.3 . 1 . . . . . 6 NAM C10 . c50202_6yfy 2 23 . 2 . 2 6 6 MUB C11 C 13 21.59 0.3 . 1 . . . . . 6 NAM C11 . c50202_6yfy 2 24 . 2 . 2 7 7 NAG C1 C 13 101.4 0.3 . 1 . . . . . 7 NAG C1 . c50202_6yfy 2 25 . 2 . 2 7 7 NAG C2 C 13 58.83 0.3 . 1 . . . . . 7 NAG C2 . c50202_6yfy 2 26 . 2 . 2 7 7 NAG C3 C 13 76.29 0.3 . 1 . . . . . 7 NAG C3 . c50202_6yfy 2 27 . 2 . 2 7 7 NAG C4 C 13 73.33 0.3 . 1 . . . . . 7 NAG C4 . c50202_6yfy 2 28 . 2 . 2 7 7 NAG C5 C 13 76.06 0.3 . 1 . . . . . 7 NAG C5 . c50202_6yfy 2 29 . 2 . 2 7 7 NAG C6 C 13 64.1 0.3 . 1 . . . . . 7 NAG C6 . c50202_6yfy 2 30 . 2 . 2 7 7 NAG C7 C 13 176.51 0.3 . 1 . . . . . 7 NAG C7 . c50202_6yfy 2 31 . 2 . 2 7 7 NAG C8 C 13 25.47 0.3 . 1 . . . . . 7 NAG C8 . c50202_6yfy 2 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c50202_6yfy _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 26 save_ 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 c50202_6yfy _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 . . . c50202_6yfy 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 . . . . c50202_6yfy 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 . C C 6.712 -14.199 -2.829 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 1 . 2 . 1 1 1 . C10 C 8.041 -15.955 -0.810 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 1 . 3 . 1 1 1 . CA C 7.172 -15.641 -3.085 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 1 . 4 . 1 1 1 . CB C 8.591 -15.636 -3.679 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 1 . 5 . 1 1 1 . CD1 C 7.524 -15.732 -5.965 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 6 . 1 1 1 . CD2 C 9.766 -14.950 -5.792 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 7 . 1 1 1 . CE1 C 7.565 -15.533 -7.342 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 1 . 8 . 1 1 1 . CE2 C 9.814 -14.751 -7.161 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 1 . 9 . 1 1 1 . CG C 8.624 -15.432 -5.173 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 1 . 10 . 1 1 1 . CZ C 8.717 -15.050 -7.938 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 1 . 11 . 1 1 1 . H H 7.412 -17.450 -2.059 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 1 . 12 . 1 1 1 . H11 H 7.794 -14.922 -0.604 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 1 . 13 . 1 1 1 . H12 H 9.059 -16.014 -1.168 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 1 . 14 . 1 1 1 . H13 H 7.944 -16.535 0.098 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 1 . 15 . 1 1 1 . HA H 6.501 -16.082 -3.809 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 1 . 16 . 1 1 1 . HB2 H 9.158 -14.836 -3.223 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 17 . 1 1 1 . HB3 H 9.069 -16.577 -3.460 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 18 . 1 1 1 . HD1 H 6.632 -16.109 -5.506 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 1 . 19 . 1 1 1 . HD2 H 10.626 -14.717 -5.192 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 20 . 1 1 1 . HE1 H 6.711 -15.765 -7.945 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 1 . 21 . 1 1 1 . HE2 H 10.713 -14.377 -7.618 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 22 . 1 1 1 . HN2 H 6.138 -16.499 -1.476 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 23 . 1 1 1 . HZ H 8.755 -14.894 -9.000 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 1 . 24 . 1 1 1 . N N 7.123 -16.480 -1.839 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 1 . 25 . 1 1 1 . O O 7.526 -13.284 -2.730 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 1 . 26 . 1 1 2 ILE C C 3.998 -12.622 -1.220 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 27 . 1 1 2 ILE CA C 4.834 -12.680 -2.504 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 28 . 1 1 2 ILE CB C 3.968 -12.269 -3.743 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 29 . 1 1 2 ILE CD1 C 3.068 -10.254 -5.027 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 30 . 1 1 2 ILE CG1 C 3.794 -10.747 -3.815 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 31 . 1 1 2 ILE CG2 C 2.602 -12.993 -3.758 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 32 . 1 1 2 ILE H H 4.800 -14.781 -2.777 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 33 . 1 1 2 ILE HA H 5.654 -11.987 -2.416 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 34 . 1 1 2 ILE HB H 4.499 -12.591 -4.628 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 35 . 1 1 2 ILE HD11 H 3.645 -10.477 -5.910 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 36 . 1 1 2 ILE HD12 H 2.924 -9.190 -4.942 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 37 . 1 1 2 ILE HD13 H 2.108 -10.747 -5.084 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 38 . 1 1 2 ILE HG12 H 3.226 -10.428 -2.965 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 39 . 1 1 2 ILE HG13 H 4.766 -10.272 -3.791 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 40 . 1 1 2 ILE HG21 H 2.050 -12.718 -4.649 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 41 . 1 1 2 ILE HG22 H 2.025 -12.720 -2.886 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 42 . 1 1 2 ILE HG23 H 2.757 -14.066 -3.757 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 43 . 1 1 2 ILE N N 5.403 -14.010 -2.718 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 44 . 1 1 2 ILE O O 3.398 -13.627 -0.822 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 45 . 1 1 3 SER C C 2.624 -9.885 0.772 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 46 . 1 1 3 SER CA C 3.177 -11.302 0.648 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 47 . 1 1 3 SER CB C 3.953 -11.674 1.916 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 48 . 1 1 3 SER H H 4.562 -10.694 -0.849 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 49 . 1 1 3 SER HA H 2.338 -11.978 0.549 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 50 . 1 1 3 SER HB2 H 4.800 -11.011 2.012 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 51 . 1 1 3 SER HB3 H 3.309 -11.556 2.776 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 52 . 1 1 3 SER HG H 4.027 -13.479 1.142 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 53 . 1 1 3 SER N N 3.990 -11.455 -0.547 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 54 . 1 1 3 SER O O 3.325 -8.885 0.477 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 55 . 1 1 3 SER OG O 4.429 -13.013 1.878 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 56 . 1 1 4 . C C -0.769 -8.657 0.877 . . . 1.0 . . . . . . . . . . . . A . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 1 . 57 . 1 1 4 . CA C 0.632 -8.586 1.442 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 1 . 58 . 1 1 4 . CB C 0.486 -8.298 2.935 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 1 . 59 . 1 1 4 . CD C 1.708 -8.121 5.057 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 1 . 60 . 1 1 4 . CG C 1.748 -7.818 3.585 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 1 . 61 . 1 1 4 . CZ C 3.333 -9.761 5.832 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 1 . 62 . 1 1 4 . H H 0.906 -10.674 1.433 . . . 1.0 . . . . . . . . . . . . A . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 1 . 63 . 1 1 4 . HA H 1.172 -7.781 0.972 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 1 . 64 . 1 1 4 . HB2 H 0.162 -9.198 3.439 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 65 . 1 1 4 . HB3 H -0.267 -7.535 3.062 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 66 . 1 1 4 . HD2 H 0.697 -7.995 5.413 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 67 . 1 1 4 . HD3 H 2.358 -7.431 5.571 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 68 . 1 1 4 . HE H 1.499 -10.189 5.164 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 1 . 69 . 1 1 4 . HG2 H 1.841 -6.750 3.445 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 70 . 1 1 4 . HG3 H 2.591 -8.323 3.139 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 71 . 1 1 4 . HH11 H 4.585 -11.242 6.509 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 1 . 72 . 1 1 4 . HH12 H 3.000 -11.784 5.855 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 1 . 73 . 1 1 4 . HH21 H 5.182 -9.041 6.408 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 1 . 74 . 1 1 4 . HH22 H 4.035 -7.826 5.737 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 1 . 75 . 1 1 4 . N N 1.362 -9.831 1.229 . . . 1.0 . . . . . . . . . . . . A . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 1 . 76 . 1 1 4 . NE N 2.138 -9.467 5.338 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 1 . 77 . 1 1 4 . NH1 N 3.657 -11.016 6.090 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 1 . 78 . 1 1 4 . NH2 N 4.246 -8.807 6.007 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 1 . 79 . 1 1 4 . O O -1.566 -9.482 1.314 . . . 1.0 . . . . . . . . . . . . A . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 1 . 80 . 1 1 5 . C C -3.108 -6.450 -0.542 . . . 1.0 . . . . . . . . . . . . A . 5 28J C . . . . . . . . . c50202_6yfy 1 . 1 . 81 . 1 1 5 . CA C -2.442 -7.817 -0.619 . . . 1.0 . . . . . . . . . . . . A . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 1 . 82 . 1 1 5 . CB C -2.499 -8.334 -2.063 . . . 1.0 . . . . . . . . . . . . A . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 1 . 83 . 1 1 5 . CD1 C -4.350 -10.064 -1.861 . . . 1.0 . . . . . . . . . . . . A . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 84 . 1 1 5 . CG1 C -2.877 -9.814 -2.065 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 85 . 1 1 5 . CG2 C -1.150 -8.134 -2.739 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 86 . 1 1 5 . H21 H -3.016 -8.494 -0.012 . . . 1.0 . . . . . . . . . . . . A . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 1 . 87 . 1 1 5 . H22 H -3.244 -7.773 -2.604 . . . 1.0 . . . . . . . . . . . . A . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 1 . 88 . 1 1 5 . H23 H -0.383 -8.615 -2.150 . . . 1.0 . . . . . . . . . . . . A . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 1 . 89 . 1 1 5 . H24 H -0.936 -7.077 -2.812 . . . 1.0 . . . . . . . . . . . . A . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 1 . 90 . 1 1 5 . H25 H -1.170 -8.568 -3.727 . . . 1.0 . . . . . . . . . . . . A . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 1 . 91 . 1 1 5 . H26 H -2.339 -10.318 -1.275 . . . 1.0 . . . . . . . . . . . . A . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 1 . 92 . 1 1 5 . H27 H -2.598 -10.244 -3.015 . . . 1.0 . . . . . . . . . . . . A . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 1 . 93 . 1 1 5 . H28 H -4.902 -9.644 -2.688 . . . 1.0 . . . . . . . . . . . . A . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 1 . 94 . 1 1 5 . H29 H -4.668 -9.599 -0.940 . . . 1.0 . . . . . . . . . . . . A . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 1 . 95 . 1 1 5 . H30 H -4.528 -11.127 -1.810 . . . 1.0 . . . . . . . . . . . . A . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 1 . 96 . 1 1 5 . N N -1.084 -7.808 -0.083 . . . 1.0 . . . . . . . . . . . . A . 5 28J N . . . . . . . . . c50202_6yfy 1 . 1 . 97 . 1 1 5 . O O -2.424 -5.422 -0.462 . . . 1.0 . . . . . . . . . . . . A . 5 28J O . . . . . . . . . c50202_6yfy 1 . 1 . 98 . 1 1 6 ILE C C -6.072 -5.146 0.761 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 99 . 1 1 6 ILE CA C -5.250 -5.251 -0.508 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 100 . 1 1 6 ILE CB C -6.240 -5.192 -1.703 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 101 . 1 1 6 ILE CD1 C -8.298 -3.918 -2.582 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 102 . 1 1 6 ILE CG1 C -7.468 -4.319 -1.406 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 103 . 1 1 6 ILE CG2 C -6.740 -6.579 -2.036 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 104 . 1 1 6 ILE H H -4.920 -7.337 -0.504 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 105 . 1 1 6 ILE HA H -4.588 -4.405 -0.576 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 106 . 1 1 6 ILE HB H -5.723 -4.811 -2.563 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 107 . 1 1 6 ILE HD11 H -7.707 -3.428 -3.313 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 108 . 1 1 6 ILE HD12 H -9.046 -3.263 -2.263 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 109 . 1 1 6 ILE HD13 H -8.758 -4.785 -3.004 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 110 . 1 1 6 ILE HG12 H -8.123 -4.850 -0.748 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 111 . 1 1 6 ILE HG13 H -7.127 -3.413 -0.918 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 112 . 1 1 6 ILE HG21 H -7.301 -6.966 -1.198 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 113 . 1 1 6 ILE HG22 H -5.887 -7.217 -2.225 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 114 . 1 1 6 ILE HG23 H -7.367 -6.543 -2.909 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 115 . 1 1 6 ILE N N -4.452 -6.469 -0.533 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 116 . 1 1 6 ILE O O -6.825 -6.056 1.112 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 117 . 1 1 7 SER C C -7.055 -2.289 2.732 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 118 . 1 1 7 SER CA C -6.635 -3.747 2.648 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 119 . 1 1 7 SER CB C -5.873 -4.093 3.895 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 120 . 1 1 7 SER H H -5.085 -3.492 1.257 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 121 . 1 1 7 SER HA H -7.518 -4.337 2.616 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 122 . 1 1 7 SER HB2 H -4.982 -3.488 3.957 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 123 . 1 1 7 SER HB3 H -6.493 -3.939 4.759 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 124 . 1 1 7 SER HG H -6.237 -5.970 4.123 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 125 . 1 1 7 SER N N -5.853 -4.055 1.479 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 126 . 1 1 7 SER O O -7.043 -1.540 1.720 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 127 . 1 1 7 SER OG O -5.483 -5.420 3.876 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 128 . 1 1 8 DTH C C -9.383 -0.415 4.206 . . . 1.0 . . . . . . . . . . . . A . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 1 . 129 . 1 1 8 DTH CA C -7.895 -0.612 4.368 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 1 . 130 . 1 1 8 DTH CB C -7.586 -0.305 5.859 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 1 . 131 . 1 1 8 DTH CG2 C -6.124 -0.604 6.147 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 132 . 1 1 8 DTH H H -7.640 -2.689 4.602 . . . 1.0 . . . . . . . . . . . . A . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 1 . 133 . 1 1 8 DTH HA H -7.359 0.097 3.757 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 1 . 134 . 1 1 8 DTH HB H -7.794 0.756 6.061 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 1 . 135 . 1 1 8 DTH HG21 H -5.894 -1.624 5.880 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 136 . 1 1 8 DTH HG22 H -5.917 -0.447 7.196 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 137 . 1 1 8 DTH HG23 H -5.507 0.066 5.561 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 138 . 1 1 8 DTH N N -7.498 -1.959 3.966 . . . 1.0 . . . . . . . . . . . . A . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 1 . 139 . 1 1 8 DTH O O -9.865 0.707 4.120 . . . 1.0 . . . . . . . . . . . . A . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 1 . 140 . 1 1 8 DTH OG1 O -8.428 -1.077 6.745 . . . 1.0 . . . . . . . . . . . . A . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 1 . 141 . 1 1 9 ALA C C -12.234 -1.335 5.496 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 142 . 1 1 9 ALA CA C -11.596 -1.429 4.110 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 143 . 1 1 9 ALA CB C -12.116 -2.629 3.374 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 144 . 1 1 9 ALA H H -9.716 -2.389 4.207 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 1 . 145 . 1 1 9 ALA HA H -11.849 -0.541 3.535 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 146 . 1 1 9 ALA HB1 H -11.875 -3.509 3.934 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 147 . 1 1 9 ALA HB2 H -11.666 -2.686 2.395 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 148 . 1 1 9 ALA HB3 H -13.184 -2.547 3.277 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 149 . 1 1 9 ALA N N -10.140 -1.510 4.201 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 150 . 1 1 9 ALA O O -12.797 -0.299 5.846 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 151 . 1 1 10 LEU C C -11.718 -1.739 8.550 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 1 . 152 . 1 1 10 LEU CA C -12.728 -2.401 7.639 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 1 . 153 . 1 1 10 LEU CB C -13.001 -3.810 8.169 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 1 . 154 . 1 1 10 LEU CD1 C -14.359 -4.189 6.102 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 155 . 1 1 10 LEU CD2 C -12.357 -5.622 6.485 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 156 . 1 1 10 LEU CG C -13.497 -4.849 7.150 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 1 . 157 . 1 1 10 LEU H H -11.794 -3.268 5.926 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 1 . 158 . 1 1 10 LEU HA H -13.640 -1.822 7.641 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 1 . 159 . 1 1 10 LEU HB2 H -12.092 -4.178 8.616 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 160 . 1 1 10 LEU HB3 H -13.750 -3.724 8.947 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 161 . 1 1 10 LEU HD11 H -13.809 -3.379 5.645 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 162 . 1 1 10 LEU HD12 H -15.251 -3.795 6.568 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 163 . 1 1 10 LEU HD13 H -14.636 -4.907 5.346 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 164 . 1 1 10 LEU HD21 H -11.439 -5.066 6.604 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 1 . 165 . 1 1 10 LEU HD22 H -12.567 -5.744 5.433 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 1 . 166 . 1 1 10 LEU HD23 H -12.253 -6.591 6.950 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 1 . 167 . 1 1 10 LEU HG H -14.119 -5.563 7.673 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 1 . 168 . 1 1 10 LEU N N -12.183 -2.429 6.277 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 1 . 169 . 1 1 10 LEU O O -12.058 -0.999 9.476 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 1 . 170 . 1 1 11 ILE C C -8.468 -0.644 8.117 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 171 . 1 1 11 ILE CA C -9.372 -1.457 9.045 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 172 . 1 1 11 ILE CB C -8.554 -2.536 9.814 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 173 . 1 1 11 ILE CD1 C -6.894 -4.447 9.434 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 174 . 1 1 11 ILE CG1 C -8.033 -3.625 8.860 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 175 . 1 1 11 ILE CG2 C -9.413 -3.184 10.889 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 176 . 1 1 11 ILE H H -10.270 -2.635 7.491 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 177 . 1 1 11 ILE HA H -9.807 -0.783 9.773 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 178 . 1 1 11 ILE HB H -7.717 -2.052 10.293 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 179 . 1 1 11 ILE HD11 H -7.225 -4.943 10.336 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 180 . 1 1 11 ILE HD12 H -6.062 -3.799 9.666 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 181 . 1 1 11 ILE HD13 H -6.582 -5.187 8.711 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 182 . 1 1 11 ILE HG12 H -8.840 -4.305 8.628 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 183 . 1 1 11 ILE HG13 H -7.685 -3.164 7.948 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 184 . 1 1 11 ILE HG21 H -10.284 -3.632 10.431 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 185 . 1 1 11 ILE HG22 H -9.726 -2.436 11.601 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 186 . 1 1 11 ILE HG23 H -8.840 -3.947 11.393 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 187 . 1 1 11 ILE N N -10.465 -2.031 8.271 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 188 . 2 2 1 . C1 C -3.767 14.875 -7.573 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 189 . 2 2 1 . C2 C -4.776 15.982 -7.529 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 190 . 2 2 1 . C3 C -5.492 16.342 -6.449 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 191 . 2 2 1 . C4 C -6.500 17.503 -6.471 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 192 . 2 2 1 . C5 C -5.386 15.641 -5.097 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 193 . 2 2 1 . H11 H -2.802 15.291 -7.817 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 194 . 2 2 1 . H12 H -3.718 14.397 -6.608 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 195 . 2 2 1 . H2 H -4.845 16.547 -8.434 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 196 . 2 2 1 . H41 H -6.810 17.736 -5.460 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 1 . 197 . 2 2 1 . H42 H -7.365 17.214 -7.049 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 198 . 2 2 1 . H43 H -6.044 18.374 -6.921 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 199 . 2 2 1 . H51 H -5.799 16.282 -4.333 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 200 . 2 2 1 . H52 H -4.347 15.451 -4.884 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 201 . 2 2 1 . H53 H -5.928 14.703 -5.114 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 202 . 3 1 1 . C C -8.815 1.532 0.466 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 1 . 203 . 3 1 1 . C10 C -9.058 3.297 2.816 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 1 . 204 . 3 1 1 . CA C -9.744 2.716 0.599 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 1 . 205 . 3 1 1 . CB C -11.064 2.279 1.202 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 1 . 206 . 3 1 1 . CD1 C -12.470 2.504 -0.826 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 207 . 3 1 1 . CD2 C -12.524 0.453 0.376 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 208 . 3 1 1 . CE1 C -13.392 2.021 -1.717 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 1 . 209 . 3 1 1 . CE2 C -13.442 -0.042 -0.516 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 1 . 210 . 3 1 1 . CG C -12.028 1.728 0.224 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 1 . 211 . 3 1 1 . CZ C -13.878 0.746 -1.569 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 1 . 212 . 3 1 1 . H H -9.831 4.591 1.440 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 1 . 213 . 3 1 1 . H11 H -10.025 2.952 3.153 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 1 . 214 . 3 1 1 . H12 H -8.720 4.105 3.455 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 1 . 215 . 3 1 1 . H13 H -8.349 2.488 2.854 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 1 . 216 . 3 1 1 . HA H -9.919 3.114 -0.379 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 1 . 217 . 3 1 1 . HB2 H -10.875 1.519 1.945 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 218 . 3 1 1 . HB3 H -11.524 3.129 1.679 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 219 . 3 1 1 . HD1 H -12.088 3.504 -0.941 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 1 . 220 . 3 1 1 . HD2 H -12.181 -0.156 1.202 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 221 . 3 1 1 . HE1 H -13.736 2.643 -2.532 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 1 . 222 . 3 1 1 . HE2 H -13.818 -1.042 -0.397 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 223 . 3 1 1 . HN2 H -8.256 4.079 1.051 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 224 . 3 1 1 . HZ H -14.597 0.368 -2.274 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 1 . 225 . 3 1 1 . N N -9.184 3.779 1.440 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 1 . 226 . 3 1 1 . O O -9.123 0.428 0.920 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 1 . 227 . 3 1 2 ILE C C -5.399 0.942 0.296 . . . 1.0 . . . . . . . . . . . . B . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 228 . 3 1 2 ILE CA C -6.737 0.692 -0.369 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 229 . 3 1 2 ILE CB C -6.574 0.414 -1.891 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 230 . 3 1 2 ILE CD1 C -5.832 -1.331 -3.524 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 231 . 3 1 2 ILE CG1 C -6.006 -0.976 -2.093 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 232 . 3 1 2 ILE CG2 C -5.702 1.475 -2.604 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 233 . 3 1 2 ILE H H -7.441 2.695 -0.431 . . . 1.0 . . . . . . . . . . . . B . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 234 . 3 1 2 ILE HA H -7.164 -0.187 0.080 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 235 . 3 1 2 ILE HB H -7.557 0.451 -2.336 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 236 . 3 1 2 ILE HD11 H -5.089 -0.683 -3.958 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 237 . 3 1 2 ILE HD12 H -6.769 -1.217 -4.034 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 238 . 3 1 2 ILE HD13 H -5.500 -2.359 -3.585 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 239 . 3 1 2 ILE HG12 H -5.034 -1.020 -1.638 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 240 . 3 1 2 ILE HG13 H -6.654 -1.708 -1.636 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 241 . 3 1 2 ILE HG21 H -4.703 1.463 -2.185 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 242 . 3 1 2 ILE HG22 H -6.128 2.459 -2.471 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 243 . 3 1 2 ILE HG23 H -5.643 1.256 -3.660 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 244 . 3 1 2 ILE N N -7.669 1.767 -0.140 . . . 1.0 . . . . . . . . . . . . B . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 245 . 3 1 2 ILE O O -4.800 2.033 0.150 . . . 1.0 . . . . . . . . . . . . B . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 246 . 3 1 3 SER C C -3.103 -1.412 1.852 . . . 1.0 . . . . . . . . . . . . B . 3 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 247 . 3 1 3 SER CA C -3.706 -0.023 1.750 . . . 1.0 . . . . . . . . . . . . B . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 248 . 3 1 3 SER CB C -3.836 0.574 3.145 . . . 1.0 . . . . . . . . . . . . B . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 249 . 3 1 3 SER H H -5.561 -0.867 1.218 . . . 1.0 . . . . . . . . . . . . B . 3 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 250 . 3 1 3 SER HA H -3.044 0.597 1.161 . . . 1.0 . . . . . . . . . . . . B . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 251 . 3 1 3 SER HB2 H -4.472 -0.065 3.740 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 252 . 3 1 3 SER HB3 H -2.859 0.631 3.599 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 253 . 3 1 3 SER HG H -4.530 2.150 2.192 . . . 1.0 . . . . . . . . . . . . B . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 254 . 3 1 3 SER N N -4.976 -0.067 1.080 . . . 1.0 . . . . . . . . . . . . B . 3 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 255 . 3 1 3 SER O O -3.809 -2.418 2.103 . . . 1.0 . . . . . . . . . . . . B . 3 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 256 . 3 1 3 SER OG O -4.402 1.876 3.108 . . . 1.0 . . . . . . . . . . . . B . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 257 . 3 1 4 . C C 0.096 -2.587 0.669 . . . 1.0 . . . . . . . . . . . . B . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 1 . 258 . 3 1 4 . CA C -0.975 -2.634 1.725 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 1 . 259 . 3 1 4 . CB C -0.248 -2.705 3.066 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 1 . 260 . 3 1 4 . CD C -0.468 -3.058 5.496 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 1 . 261 . 3 1 4 . CG C -0.967 -3.475 4.141 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 1 . 262 . 3 1 4 . CZ C -1.363 -1.390 7.028 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 1 . 263 . 3 1 4 . H H -1.357 -0.587 1.385 . . . 1.0 . . . . . . . . . . . . B . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 1 . 264 . 3 1 4 . HA H -1.599 -3.506 1.592 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 1 . 265 . 3 1 4 . HB2 H -0.087 -1.699 3.421 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 266 . 3 1 4 . HB3 H 0.709 -3.174 2.908 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 267 . 3 1 4 . HD2 H 0.610 -3.096 5.498 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 268 . 3 1 4 . HD3 H -0.854 -3.743 6.233 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 269 . 3 1 4 . HE H -0.808 -1.031 5.145 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 1 . 270 . 3 1 4 . HG2 H -0.794 -4.533 4.007 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 271 . 3 1 4 . HG3 H -2.024 -3.265 4.073 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 272 . 3 1 4 . HH11 H -2.075 0.121 8.226 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 1 . 273 . 3 1 4 . HH12 H -1.691 0.571 6.529 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 1 . 274 . 3 1 4 . HH21 H -1.901 -2.057 8.911 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 1 . 275 . 3 1 4 . HH22 H -1.333 -3.318 7.759 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 1 . 276 . 3 1 4 . N N -1.792 -1.431 1.644 . . . 1.0 . . . . . . . . . . . . B . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 1 . 277 . 3 1 4 . NE N -0.888 -1.720 5.836 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 1 . 278 . 3 1 4 . NH1 N -1.725 -0.143 7.279 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 1 . 279 . 3 1 4 . NH2 N -1.542 -2.321 7.966 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 1 . 280 . 3 1 4 . O O 0.835 -1.607 0.614 . . . 1.0 . . . . . . . . . . . . B . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 1 . 281 . 3 1 5 . C C 1.872 -4.984 -1.415 . . . 1.0 . . . . . . . . . . . . B . 5 28J C . . . . . . . . . c50202_6yfy 1 . 1 . 282 . 3 1 5 . CA C 1.223 -3.613 -1.193 . . . 1.0 . . . . . . . . . . . . B . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 1 . 283 . 3 1 5 . CB C 0.645 -3.158 -2.536 . . . 1.0 . . . . . . . . . . . . B . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 1 . 284 . 3 1 5 . CD1 C 0.840 -1.189 -4.127 . . . 1.0 . . . . . . . . . . . . B . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 285 . 3 1 5 . CG1 C 0.894 -1.667 -2.700 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 286 . 3 1 5 . CG2 C -0.842 -3.483 -2.627 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 287 . 3 1 5 . H21 H 1.981 -2.905 -0.906 . . . 1.0 . . . . . . . . . . . . B . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 1 . 288 . 3 1 5 . H22 H 1.157 -3.691 -3.321 . . . 1.0 . . . . . . . . . . . . B . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 1 . 289 . 3 1 5 . H23 H -0.983 -4.550 -2.541 . . . 1.0 . . . . . . . . . . . . B . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 1 . 290 . 3 1 5 . H24 H -1.230 -3.144 -3.578 . . . 1.0 . . . . . . . . . . . . B . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 1 . 291 . 3 1 5 . H25 H -1.370 -2.985 -1.827 . . . 1.0 . . . . . . . . . . . . B . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 1 . 292 . 3 1 5 . H26 H 1.873 -1.433 -2.307 . . . 1.0 . . . . . . . . . . . . B . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 1 . 293 . 3 1 5 . H27 H 0.149 -1.126 -2.140 . . . 1.0 . . . . . . . . . . . . B . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 1 . 294 . 3 1 5 . H28 H -0.163 -1.306 -4.506 . . . 1.0 . . . . . . . . . . . . B . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 1 . 295 . 3 1 5 . H29 H 1.525 -1.770 -4.727 . . . 1.0 . . . . . . . . . . . . B . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 1 . 296 . 3 1 5 . H30 H 1.121 -0.148 -4.162 . . . 1.0 . . . . . . . . . . . . B . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 1 . 297 . 3 1 5 . N N 0.193 -3.614 -0.160 . . . 1.0 . . . . . . . . . . . . B . 5 28J N . . . . . . . . . c50202_6yfy 1 . 1 . 298 . 3 1 5 . O O 1.256 -6.009 -1.077 . . . 1.0 . . . . . . . . . . . . B . 5 28J O . . . . . . . . . c50202_6yfy 1 . 1 . 299 . 3 1 6 ILE C C 5.194 -6.342 -1.746 . . . 1.0 . . . . . . . . . . . . B . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 300 . 3 1 6 ILE CA C 3.789 -6.274 -2.276 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 301 . 3 1 6 ILE CB C 3.840 -6.594 -3.809 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 302 . 3 1 6 ILE CD1 C 5.971 -6.679 -5.295 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 303 . 3 1 6 ILE CG1 C 4.977 -5.837 -4.524 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 304 . 3 1 6 ILE CG2 C 2.559 -6.201 -4.511 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 305 . 3 1 6 ILE H H 3.655 -4.150 -1.992 . . . 1.0 . . . . . . . . . . . . B . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 306 . 3 1 6 ILE HA H 3.220 -7.058 -1.803 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 307 . 3 1 6 ILE HB H 3.978 -7.651 -3.935 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 308 . 3 1 6 ILE HD11 H 6.559 -7.257 -4.631 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 309 . 3 1 6 ILE HD12 H 6.607 -6.051 -5.852 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 310 . 3 1 6 ILE HD13 H 5.450 -7.324 -5.965 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 311 . 3 1 6 ILE HG12 H 4.546 -5.142 -5.220 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 312 . 3 1 6 ILE HG13 H 5.527 -5.282 -3.773 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 313 . 3 1 6 ILE HG21 H 2.675 -6.386 -5.571 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 314 . 3 1 6 ILE HG22 H 2.380 -5.148 -4.351 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 315 . 3 1 6 ILE HG23 H 1.732 -6.776 -4.131 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 316 . 3 1 6 ILE N N 3.128 -5.000 -1.940 . . . 1.0 . . . . . . . . . . . . B . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 317 . 3 1 6 ILE O O 6.002 -5.405 -1.884 . . . 1.0 . . . . . . . . . . . . B . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 318 . 3 1 7 SER C C 7.069 -9.149 -0.239 . . . 1.0 . . . . . . . . . . . . B . 7 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 319 . 3 1 7 SER CA C 6.763 -7.694 -0.563 . . . 1.0 . . . . . . . . . . . . B . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 320 . 3 1 7 SER CB C 6.858 -6.912 0.693 . . . 1.0 . . . . . . . . . . . . B . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 321 . 3 1 7 SER H H 4.732 -8.078 -0.891 . . . 1.0 . . . . . . . . . . . . B . 7 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 322 . 3 1 7 SER HA H 7.491 -7.325 -1.252 . . . 1.0 . . . . . . . . . . . . B . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 323 . 3 1 7 SER HB2 H 7.634 -7.313 1.318 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 324 . 3 1 7 SER HB3 H 7.055 -5.880 0.458 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 325 . 3 1 7 SER HG H 4.993 -7.341 0.799 . . . 1.0 . . . . . . . . . . . . B . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 326 . 3 1 7 SER N N 5.463 -7.453 -1.094 . . . 1.0 . . . . . . . . . . . . B . 7 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 327 . 3 1 7 SER O O 6.256 -10.066 -0.504 . . . 1.0 . . . . . . . . . . . . B . 7 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 328 . 3 1 7 SER OG O 5.662 -6.974 1.379 . . . 1.0 . . . . . . . . . . . . B . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 329 . 3 1 8 DTH C C 10.203 -10.869 0.146 . . . 1.0 . . . . . . . . . . . . B . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 1 . 330 . 3 1 8 DTH CA C 8.872 -10.531 0.847 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 1 . 331 . 3 1 8 DTH CB C 9.240 -10.422 2.347 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 1 . 332 . 3 1 8 DTH CG2 C 8.014 -9.973 3.135 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 333 . 3 1 8 DTH H H 8.830 -8.470 0.435 . . . 1.0 . . . . . . . . . . . . B . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 1 . 334 . 3 1 8 DTH HA H 8.143 -11.315 0.739 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 1 . 335 . 3 1 8 DTH HB H 9.584 -11.398 2.716 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 1 . 336 . 3 1 8 DTH HG21 H 8.262 -9.864 4.180 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 337 . 3 1 8 DTH HG22 H 7.218 -10.699 3.025 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 338 . 3 1 8 DTH HG23 H 7.677 -9.020 2.748 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 339 . 3 1 8 DTH N N 8.287 -9.281 0.354 . . . 1.0 . . . . . . . . . . . . B . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 1 . 340 . 3 1 8 DTH O O 10.778 -11.930 0.371 . . . 1.0 . . . . . . . . . . . . B . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 1 . 341 . 3 1 8 DTH OG1 O 10.313 -9.488 2.542 . . . 1.0 . . . . . . . . . . . . B . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 1 . 342 . 3 1 9 ALA C C 13.184 -9.588 -0.346 . . . 1.0 . . . . . . . . . . . . B . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 343 . 3 1 9 ALA CA C 12.107 -10.032 -1.250 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 344 . 3 1 9 ALA CB C 12.242 -9.173 -2.513 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 345 . 3 1 9 ALA H H 10.324 -9.027 -0.649 . . . 1.0 . . . . . . . . . . . . B . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 1 . 346 . 3 1 9 ALA HA H 12.261 -11.067 -1.521 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 347 . 3 1 9 ALA HB1 H 13.184 -9.358 -2.991 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 348 . 3 1 9 ALA HB2 H 12.178 -8.126 -2.242 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 349 . 3 1 9 ALA HB3 H 11.438 -9.409 -3.199 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 350 . 3 1 9 ALA N N 10.782 -9.883 -0.579 . . . 1.0 . . . . . . . . . . . . B . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 351 . 3 1 9 ALA O O 14.120 -10.320 -0.046 . . . 1.0 . . . . . . . . . . . . B . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 352 . 3 1 10 LEU C C 13.676 -8.164 2.350 . . . 1.0 . . . . . . . . . . . . B . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 1 . 353 . 3 1 10 LEU CA C 13.989 -7.727 0.950 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 1 . 354 . 3 1 10 LEU CB C 13.964 -6.196 0.849 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 1 . 355 . 3 1 10 LEU CD1 C 13.549 -6.262 -1.610 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 356 . 3 1 10 LEU CD2 C 14.188 -4.110 -0.575 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 357 . 3 1 10 LEU CG C 14.362 -5.619 -0.518 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 1 . 358 . 3 1 10 LEU H H 12.227 -7.844 -0.269 . . . 1.0 . . . . . . . . . . . . B . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 1 . 359 . 3 1 10 LEU HA H 14.971 -8.088 0.688 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 1 . 360 . 3 1 10 LEU HB2 H 12.970 -5.850 1.095 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 361 . 3 1 10 LEU HB3 H 14.652 -5.805 1.589 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 362 . 3 1 10 LEU HD11 H 14.094 -7.100 -2.020 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 363 . 3 1 10 LEU HD12 H 13.364 -5.538 -2.391 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 364 . 3 1 10 LEU HD13 H 12.608 -6.605 -1.209 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 365 . 3 1 10 LEU HD21 H 13.239 -3.843 -0.132 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 1 . 366 . 3 1 10 LEU HD22 H 14.201 -3.790 -1.607 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 1 . 367 . 3 1 10 LEU HD23 H 14.987 -3.626 -0.036 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 1 . 368 . 3 1 10 LEU HG H 15.403 -5.845 -0.706 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 1 . 369 . 3 1 10 LEU N N 13.032 -8.348 0.054 . . . 1.0 . . . . . . . . . . . . B . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 1 . 370 . 3 1 10 LEU O O 14.534 -8.660 3.084 . . . 1.0 . . . . . . . . . . . . B . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 1 . 371 . 3 1 11 ILE C C 10.822 -9.386 3.875 . . . 1.0 . . . . . . . . . . . . B . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 372 . 3 1 11 ILE CA C 11.970 -8.400 4.023 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 373 . 3 1 11 ILE CB C 11.554 -7.190 4.906 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 374 . 3 1 11 ILE CD1 C 9.226 -6.228 4.433 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 375 . 3 1 11 ILE CG1 C 10.709 -6.175 4.113 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 376 . 3 1 11 ILE CG2 C 12.793 -6.497 5.441 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 377 . 3 1 11 ILE H H 11.753 -7.655 2.024 . . . 1.0 . . . . . . . . . . . . B . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 378 . 3 1 11 ILE HA H 12.796 -8.905 4.507 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 379 . 3 1 11 ILE HB H 10.979 -7.558 5.742 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 380 . 3 1 11 ILE HD11 H 8.844 -7.215 4.214 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 381 . 3 1 11 ILE HD12 H 8.701 -5.498 3.835 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 382 . 3 1 11 ILE HD13 H 9.074 -6.009 5.481 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 383 . 3 1 11 ILE HG12 H 11.055 -5.177 4.340 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 384 . 3 1 11 ILE HG13 H 10.828 -6.358 3.055 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 385 . 3 1 11 ILE HG21 H 13.417 -6.194 4.611 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 386 . 3 1 11 ILE HG22 H 13.341 -7.178 6.073 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 387 . 3 1 11 ILE HG23 H 12.501 -5.628 6.008 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 388 . 3 1 11 ILE N N 12.417 -8.006 2.702 . . . 1.0 . . . . . . . . . . . . B . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 389 . 4 2 1 . C1 C 9.185 12.378 -7.014 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 390 . 4 2 1 . C2 C 10.465 12.906 -7.600 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 391 . 4 2 1 . C3 C 11.337 13.699 -6.958 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 392 . 4 2 1 . C4 C 12.638 14.201 -7.606 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 393 . 4 2 1 . C5 C 11.132 14.180 -5.523 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 394 . 4 2 1 . H11 H 9.108 12.705 -5.989 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 395 . 4 2 1 . H12 H 8.348 12.757 -7.576 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 396 . 4 2 1 . H2 H 10.642 12.614 -8.620 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 397 . 4 2 1 . H41 H 12.838 13.635 -8.507 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 1 . 398 . 4 2 1 . H42 H 13.456 14.070 -6.914 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 399 . 4 2 1 . H43 H 12.542 15.251 -7.851 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 400 . 4 2 1 . H51 H 10.242 14.788 -5.476 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 401 . 4 2 1 . H52 H 11.986 14.767 -5.227 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 402 . 4 2 1 . H53 H 11.027 13.333 -4.854 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 403 . 5 1 1 . C C 7.976 -1.875 -0.978 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 1 . 404 . 5 1 1 . C10 C 8.412 -3.311 1.490 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 1 . 405 . 5 1 1 . CA C 8.945 -3.031 -0.865 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 1 . 406 . 5 1 1 . CB C 10.331 -2.475 -0.557 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 1 . 407 . 5 1 1 . CD1 C 12.372 -1.698 -1.814 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 408 . 5 1 1 . CD2 C 10.220 -1.189 -2.710 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 409 . 5 1 1 . CE1 C 12.976 -1.031 -2.870 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 1 . 410 . 5 1 1 . CE2 C 10.821 -0.535 -3.769 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 1 . 411 . 5 1 1 . CG C 10.987 -1.792 -1.725 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 1 . 412 . 5 1 1 . CZ C 12.199 -0.449 -3.848 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 1 . 413 . 5 1 1 . H H 9.229 -4.744 0.279 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 1 . 414 . 5 1 1 . H11 H 8.082 -4.020 2.238 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 1 . 415 . 5 1 1 . H12 H 7.690 -2.510 1.414 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 1 . 416 . 5 1 1 . H13 H 9.370 -2.905 1.774 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 1 . 417 . 5 1 1 . HA H 8.975 -3.555 -1.808 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 1 . 418 . 5 1 1 . HB2 H 10.246 -1.751 0.240 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 419 . 5 1 1 . HB3 H 10.974 -3.279 -0.236 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 420 . 5 1 1 . HD1 H 12.981 -2.161 -1.062 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 1 . 421 . 5 1 1 . HD2 H 9.146 -1.244 -2.652 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 422 . 5 1 1 . HE1 H 14.050 -0.962 -2.924 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 1 . 423 . 5 1 1 . HE2 H 10.219 -0.102 -4.526 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 424 . 5 1 1 . HN2 H 7.601 -4.424 -0.083 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 425 . 5 1 1 . HZ H 12.664 0.073 -4.665 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 1 . 426 . 5 1 1 . N N 8.522 -3.992 0.192 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 1 . 427 . 5 1 1 . O O 8.296 -0.742 -0.615 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 1 . 428 . 5 1 2 ILE C C 4.669 -1.319 -0.667 . . . 1.0 . . . . . . . . . . . . E . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 429 . 5 1 2 ILE CA C 5.832 -1.092 -1.604 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 430 . 5 1 2 ILE CB C 5.373 -0.936 -3.073 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 431 . 5 1 2 ILE CD1 C 4.425 0.780 -4.699 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 432 . 5 1 2 ILE CG1 C 4.706 0.422 -3.265 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 433 . 5 1 2 ILE CG2 C 4.465 -2.088 -3.501 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 434 . 5 1 2 ILE H H 6.534 -3.079 -1.658 . . . 1.0 . . . . . . . . . . . . E . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 435 . 5 1 2 ILE HA H 6.319 -0.171 -1.310 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 436 . 5 1 2 ILE HB H 6.256 -0.970 -3.695 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 437 . 5 1 2 ILE HD11 H 4.002 1.770 -4.742 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 438 . 5 1 2 ILE HD12 H 3.733 0.067 -5.111 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 439 . 5 1 2 ILE HD13 H 5.350 0.756 -5.260 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 440 . 5 1 2 ILE HG12 H 3.763 0.423 -2.736 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 441 . 5 1 2 ILE HG13 H 5.341 1.192 -2.853 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 442 . 5 1 2 ILE HG21 H 3.926 -1.818 -4.399 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 443 . 5 1 2 ILE HG22 H 3.762 -2.314 -2.713 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 444 . 5 1 2 ILE HG23 H 5.072 -2.959 -3.699 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 445 . 5 1 2 ILE N N 6.788 -2.147 -1.451 . . . 1.0 . . . . . . . . . . . . E . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 446 . 5 1 2 ILE O O 4.112 -2.431 -0.583 . . . 1.0 . . . . . . . . . . . . E . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 447 . 5 1 3 SER C C 2.648 1.082 1.114 . . . 1.0 . . . . . . . . . . . . E . 3 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 448 . 5 1 3 SER CA C 3.274 -0.287 1.011 . . . 1.0 . . . . . . . . . . . . E . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 449 . 5 1 3 SER CB C 3.707 -0.761 2.389 . . . 1.0 . . . . . . . . . . . . E . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 450 . 5 1 3 SER H H 4.897 0.547 -0.017 . . . 1.0 . . . . . . . . . . . . E . 3 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 451 . 5 1 3 SER HA H 2.535 -0.970 0.628 . . . 1.0 . . . . . . . . . . . . E . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 452 . 5 1 3 SER HB2 H 4.448 -0.080 2.775 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 453 . 5 1 3 SER HB3 H 2.853 -0.771 3.043 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 454 . 5 1 3 SER HG H 4.229 -2.415 1.463 . . . 1.0 . . . . . . . . . . . . E . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 455 . 5 1 3 SER N N 4.366 -0.271 0.081 . . . 1.0 . . . . . . . . . . . . E . 3 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 456 . 5 1 3 SER O O 3.332 2.122 1.091 . . . 1.0 . . . . . . . . . . . . E . 3 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 457 . 5 1 3 SER OG O 4.268 -2.051 2.363 . . . 1.0 . . . . . . . . . . . . E . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 458 . 5 1 4 . C C -0.667 2.159 0.491 . . . 1.0 . . . . . . . . . . . . E . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 1 . 459 . 5 1 4 . CA C 0.565 2.275 1.347 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 1 . 460 . 5 1 4 . CB C 0.136 2.512 2.787 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 1 . 461 . 5 1 4 . CD C 0.844 3.293 5.055 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 1 . 462 . 5 1 4 . CG C 1.044 3.447 3.561 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 1 . 463 . 5 1 4 . CZ C 2.014 1.761 6.578 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 1 . 464 . 5 1 4 . H H 0.889 0.188 1.250 . . . 1.0 . . . . . . . . . . . . E . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 1 . 465 . 5 1 4 . HA H 1.165 3.102 1.004 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 1 . 466 . 5 1 4 . HB2 H 0.115 1.561 3.298 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 467 . 5 1 4 . HB3 H -0.858 2.930 2.785 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 468 . 5 1 4 . HD2 H -0.199 3.451 5.281 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 469 . 5 1 4 . HD3 H 1.440 4.034 5.565 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 470 . 5 1 4 . HE H 0.890 1.198 5.026 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 1 . 471 . 5 1 4 . HG2 H 0.826 4.467 3.277 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 472 . 5 1 4 . HG3 H 2.070 3.214 3.319 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 473 . 5 1 4 . HH11 H 2.917 0.354 7.772 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 1 . 474 . 5 1 4 . HH12 H 1.914 -0.284 6.422 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 1 . 475 . 5 1 4 . HH21 H 3.119 2.622 8.088 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 1 . 476 . 5 1 4 . HH22 H 2.292 3.762 6.968 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 1 . 477 . 5 1 4 . N N 1.345 1.062 1.242 . . . 1.0 . . . . . . . . . . . . E . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 1 . 478 . 5 1 4 . NE N 1.233 1.971 5.523 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 1 . 479 . 5 1 4 . NH1 N 2.303 0.524 6.950 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 1 . 480 . 5 1 4 . NH2 N 2.509 2.788 7.261 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 1 . 481 . 5 1 4 . O O -1.435 1.209 0.654 . . . 1.0 . . . . . . . . . . . . E . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 1 . 482 . 5 1 5 . C C -2.651 4.467 -1.385 . . . 1.0 . . . . . . . . . . . . E . 5 28J C . . . . . . . . . c50202_6yfy 1 . 1 . 483 . 5 1 5 . CA C -2.013 3.090 -1.285 . . . 1.0 . . . . . . . . . . . . E . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 1 . 484 . 5 1 5 . CB C -1.648 2.618 -2.711 . . . 1.0 . . . . . . . . . . . . E . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 1 . 485 . 5 1 5 . CD1 C -2.237 0.651 -4.237 . . . 1.0 . . . . . . . . . . . . E . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 486 . 5 1 5 . CG1 C -1.836 1.101 -2.845 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 487 . 5 1 5 . CG2 C -0.221 3.010 -3.058 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 488 . 5 1 5 . H21 H -2.729 2.397 -0.872 . . . 1.0 . . . . . . . . . . . . E . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 1 . 489 . 5 1 5 . H22 H -2.309 3.115 -3.405 . . . 1.0 . . . . . . . . . . . . E . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 1 . 490 . 5 1 5 . H23 H 0.450 2.631 -2.302 . . . 1.0 . . . . . . . . . . . . E . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 1 . 491 . 5 1 5 . H24 H -0.143 4.086 -3.104 . . . 1.0 . . . . . . . . . . . . E . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 1 . 492 . 5 1 5 . H25 H 0.042 2.589 -4.017 . . . 1.0 . . . . . . . . . . . . E . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 1 . 493 . 5 1 5 . H26 H -2.606 0.779 -2.158 . . . 1.0 . . . . . . . . . . . . E . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 1 . 494 . 5 1 5 . H27 H -0.909 0.608 -2.594 . . . 1.0 . . . . . . . . . . . . E . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 1 . 495 . 5 1 5 . H28 H -1.499 0.988 -4.950 . . . 1.0 . . . . . . . . . . . . E . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 1 . 496 . 5 1 5 . H29 H -3.200 1.071 -4.489 . . . 1.0 . . . . . . . . . . . . E . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 1 . 497 . 5 1 5 . H30 H -2.296 -0.427 -4.263 . . . 1.0 . . . . . . . . . . . . E . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 1 . 498 . 5 1 5 . N N -0.852 3.109 -0.418 . . . 1.0 . . . . . . . . . . . . E . 5 28J N . . . . . . . . . c50202_6yfy 1 . 1 . 499 . 5 1 5 . O O -1.972 5.492 -1.187 . . . 1.0 . . . . . . . . . . . . E . 5 28J O . . . . . . . . . c50202_6yfy 1 . 1 . 500 . 5 1 6 ILE C C -6.054 5.760 -1.127 . . . 1.0 . . . . . . . . . . . . E . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 501 . 5 1 6 ILE CA C -4.691 5.741 -1.808 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 502 . 5 1 6 ILE CB C -4.798 6.055 -3.345 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 503 . 5 1 6 ILE CD1 C -6.326 6.879 -5.218 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 504 . 5 1 6 ILE CG1 C -6.185 6.558 -3.754 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 505 . 5 1 6 ILE CG2 C -4.406 4.874 -4.251 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 506 . 5 1 6 ILE H H -4.492 3.626 -1.497 . . . 1.0 . . . . . . . . . . . . E . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 507 . 5 1 6 ILE HA H -4.094 6.520 -1.363 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 508 . 5 1 6 ILE HB H -4.086 6.841 -3.545 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 509 . 5 1 6 ILE HD11 H -5.486 7.471 -5.544 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 510 . 5 1 6 ILE HD12 H -7.243 7.428 -5.378 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 511 . 5 1 6 ILE HD13 H -6.355 5.957 -5.783 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 512 . 5 1 6 ILE HG12 H -6.908 5.790 -3.529 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 513 . 5 1 6 ILE HG13 H -6.424 7.447 -3.190 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 514 . 5 1 6 ILE HG21 H -3.373 4.604 -4.051 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 515 . 5 1 6 ILE HG22 H -4.501 5.151 -5.291 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 516 . 5 1 6 ILE HG23 H -5.037 4.024 -4.043 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 517 . 5 1 6 ILE N N -3.976 4.479 -1.584 . . . 1.0 . . . . . . . . . . . . E . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 518 . 5 1 6 ILE O O -6.856 4.820 -1.270 . . . 1.0 . . . . . . . . . . . . E . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 519 . 5 1 7 SER C C -7.915 8.355 0.699 . . . 1.0 . . . . . . . . . . . . E . 7 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 520 . 5 1 7 SER CA C -7.554 6.911 0.383 . . . 1.0 . . . . . . . . . . . . E . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 521 . 5 1 7 SER CB C -7.507 6.149 1.682 . . . 1.0 . . . . . . . . . . . . E . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 522 . 5 1 7 SER H H -5.565 7.445 -0.110 . . . 1.0 . . . . . . . . . . . . E . 7 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 523 . 5 1 7 SER HA H -8.310 6.476 -0.239 . . . 1.0 . . . . . . . . . . . . E . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 524 . 5 1 7 SER HB2 H -7.094 6.774 2.455 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 525 . 5 1 7 SER HB3 H -8.497 5.825 1.952 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 526 . 5 1 7 SER HG H -5.969 5.245 0.958 . . . 1.0 . . . . . . . . . . . . E . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 527 . 5 1 7 SER N N -6.284 6.789 -0.301 . . . 1.0 . . . . . . . . . . . . E . 7 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 528 . 5 1 7 SER O O -7.047 9.220 0.859 . . . 1.0 . . . . . . . . . . . . E . 7 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 529 . 5 1 7 SER OG O -6.708 5.038 1.554 . . . 1.0 . . . . . . . . . . . . E . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 530 . 5 1 8 DTH C C -11.203 10.149 0.701 . . . 1.0 . . . . . . . . . . . . E . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 1 . 531 . 5 1 8 DTH CA C -9.766 9.882 1.192 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 1 . 532 . 5 1 8 DTH CB C -9.898 10.034 2.729 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 1 . 533 . 5 1 8 DTH CG2 C -8.534 9.833 3.361 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 534 . 5 1 8 DTH H H -9.841 7.832 0.678 . . . 1.0 . . . . . . . . . . . . E . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 1 . 535 . 5 1 8 DTH HA H -9.089 10.642 0.831 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 1 . 536 . 5 1 8 DTH HB H -10.285 11.030 2.984 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 1 . 537 . 5 1 8 DTH HG21 H -8.609 9.930 4.433 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 538 . 5 1 8 DTH HG22 H -7.842 10.571 2.979 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 539 . 5 1 8 DTH HG23 H -8.170 8.844 3.115 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 540 . 5 1 8 DTH N N -9.220 8.575 0.840 . . . 1.0 . . . . . . . . . . . . E . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 1 . 541 . 5 1 8 DTH O O -11.638 11.296 0.778 . . . 1.0 . . . . . . . . . . . . E . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 1 . 542 . 5 1 8 DTH OG1 O -10.807 9.069 3.258 . . . 1.0 . . . . . . . . . . . . E . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 1 . 543 . 5 1 9 ALA C C -14.217 9.026 1.147 . . . 1.0 . . . . . . . . . . . . E . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 544 . 5 1 9 ALA CA C -13.383 9.226 -0.067 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 545 . 5 1 9 ALA CB C -13.842 8.163 -1.069 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 546 . 5 1 9 ALA H H -11.539 8.233 0.260 . . . 1.0 . . . . . . . . . . . . E . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 1 . 547 . 5 1 9 ALA HA H -13.569 10.203 -0.482 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 548 . 5 1 9 ALA HB1 H -14.901 8.236 -1.237 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 549 . 5 1 9 ALA HB2 H -13.607 7.184 -0.679 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 550 . 5 1 9 ALA HB3 H -13.318 8.305 -2.006 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 551 . 5 1 9 ALA N N -11.954 9.108 0.302 . . . 1.0 . . . . . . . . . . . . E . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 552 . 5 1 9 ALA O O -14.745 9.964 1.732 . . . 1.0 . . . . . . . . . . . . E . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 553 . 5 1 10 LEU C C -14.411 7.834 3.911 . . . 1.0 . . . . . . . . . . . . E . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 1 . 554 . 5 1 10 LEU CA C -15.115 7.370 2.666 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 1 . 555 . 5 1 10 LEU CB C -15.334 5.854 2.724 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 1 . 556 . 5 1 10 LEU CD1 C -14.535 4.904 0.560 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 557 . 5 1 10 LEU CD2 C -12.857 5.541 2.263 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 558 . 5 1 10 LEU CG C -14.260 4.998 2.036 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 1 . 559 . 5 1 10 LEU H H -13.848 7.073 0.960 . . . 1.0 . . . . . . . . . . . . E . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 1 . 560 . 5 1 10 LEU HA H -16.070 7.868 2.605 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 1 . 561 . 5 1 10 LEU HB2 H -15.400 5.557 3.761 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 562 . 5 1 10 LEU HB3 H -16.284 5.641 2.249 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 563 . 5 1 10 LEU HD11 H -13.789 4.276 0.095 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 564 . 5 1 10 LEU HD12 H -14.493 5.893 0.125 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 565 . 5 1 10 LEU HD13 H -15.514 4.482 0.399 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 566 . 5 1 10 LEU HD21 H -12.735 5.791 3.308 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 1 . 567 . 5 1 10 LEU HD22 H -12.723 6.433 1.667 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 1 . 568 . 5 1 10 LEU HD23 H -12.124 4.804 1.978 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 1 . 569 . 5 1 10 LEU HG H -14.300 3.996 2.441 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 1 . 570 . 5 1 10 LEU N N -14.329 7.761 1.503 . . . 1.0 . . . . . . . . . . . . E . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 1 . 571 . 5 1 10 LEU O O -15.034 8.197 4.909 . . . 1.0 . . . . . . . . . . . . E . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 1 . 572 . 5 1 11 ILE C C -11.367 9.369 4.533 . . . 1.0 . . . . . . . . . . . . E . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 573 . 5 1 11 ILE CA C -12.317 8.280 4.984 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 574 . 5 1 11 ILE CB C -11.534 7.129 5.674 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 575 . 5 1 11 ILE CD1 C -9.323 5.852 5.440 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 576 . 5 1 11 ILE CG1 C -10.487 6.518 4.727 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 577 . 5 1 11 ILE CG2 C -12.504 6.049 6.118 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 578 . 5 1 11 ILE H H -12.644 7.574 2.976 . . . 1.0 . . . . . . . . . . . . E . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 579 . 5 1 11 ILE HA H -13.004 8.700 5.704 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 580 . 5 1 11 ILE HB H -11.039 7.525 6.548 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 581 . 5 1 11 ILE HD11 H -9.637 4.892 5.824 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 582 . 5 1 11 ILE HD12 H -8.995 6.476 6.257 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 583 . 5 1 11 ILE HD13 H -8.508 5.711 4.745 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 584 . 5 1 11 ILE HG12 H -10.965 5.768 4.113 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 585 . 5 1 11 ILE HG13 H -10.087 7.294 4.090 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 586 . 5 1 11 ILE HG21 H -11.966 5.296 6.678 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 587 . 5 1 11 ILE HG22 H -12.959 5.596 5.251 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 588 . 5 1 11 ILE HG23 H -13.267 6.485 6.742 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 589 . 5 1 11 ILE N N -13.099 7.835 3.843 . . . 1.0 . . . . . . . . . . . . E . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 590 . 6 3 1 . C1 C -11.185 -8.960 5.129 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 1 . 591 . 6 3 1 . C10 C -13.624 -12.894 6.209 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 1 . 592 . 6 3 1 . C11 C -10.946 -13.305 6.161 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 1 . 593 . 6 3 1 . C2 C -10.944 -10.437 4.813 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 1 . 594 . 6 3 1 . C3 C -12.104 -10.962 3.959 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 1 . 595 . 6 3 1 . C4 C -13.419 -10.224 4.280 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 1 . 596 . 6 3 1 . C5 C -13.278 -8.750 3.913 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 1 . 597 . 6 3 1 . C6 C -14.151 -7.885 4.806 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 1 . 598 . 6 3 1 . C7 C -9.607 -10.559 2.819 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 1 . 599 . 6 3 1 . C8 C -8.305 -10.762 2.124 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 1 . 600 . 6 3 1 . C9 C -12.267 -12.796 5.483 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 1 . 601 . 6 3 1 . H1 H -11.770 -8.833 6.079 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 1 . 602 . 6 3 1 . H111 H -10.488 -14.163 5.620 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 1 . 603 . 6 3 1 . H112 H -11.158 -13.615 7.134 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 1 . 604 . 6 3 1 . H113 H -10.248 -12.464 6.234 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 1 . 605 . 6 3 1 . H2 H -10.805 -10.846 5.838 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 1 . 606 . 6 3 1 . H3 H -11.895 -10.879 2.893 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 1 . 607 . 6 3 1 . H4A H -13.830 -10.501 5.234 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 1 . 608 . 6 3 1 . H5 H -13.622 -8.543 2.915 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 1 . 609 . 6 3 1 . H61 H -14.168 -6.882 4.334 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 1 . 610 . 6 3 1 . H62 H -13.760 -7.719 5.856 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 1 . 611 . 6 3 1 . H81 H -7.595 -10.031 2.494 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 1 . 612 . 6 3 1 . H82 H -8.430 -10.633 1.070 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 1 . 613 . 6 3 1 . H83 H -7.963 -11.777 2.321 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 1 . 614 . 6 3 1 . H9 H -12.383 -11.746 5.831 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 1 . 615 . 6 3 1 . HN2 H -8.826 -10.808 4.662 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 616 . 6 3 1 . HO6 H -15.678 -8.954 4.075 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 617 . 6 3 1 . N2 N -9.665 -10.634 4.141 . . . 1.0 . . . . . . . . . . . . C . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 1 . 618 . 6 3 1 . O1 O -9.968 -8.314 5.289 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 1 . 619 . 6 3 1 . O10 O -13.693 -13.490 7.263 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 1 . 620 . 6 3 1 . O3 O -12.236 -12.388 4.099 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 1 . 621 . 6 3 1 . O4 O -14.528 -10.858 3.572 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 1 . 622 . 6 3 1 . O5 O -11.897 -8.307 4.050 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 1 . 623 . 6 3 1 . O6 O -15.505 -8.293 4.750 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 1 . 624 . 6 3 1 . O7 O -10.611 -10.327 2.151 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 1 . 625 . 7 1 1 . C C -8.415 12.863 -1.194 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 1 . 626 . 7 1 1 . C10 C -9.245 14.191 1.291 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 1 . 627 . 7 1 1 . CA C -9.152 14.204 -1.166 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 1 . 628 . 7 1 1 . CB C -10.659 13.960 -1.310 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 1 . 629 . 7 1 1 . CD1 C -11.068 14.879 -3.622 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 630 . 7 1 1 . CD2 C -11.600 12.587 -3.190 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 631 . 7 1 1 . CE1 C -11.496 14.733 -4.935 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 1 . 632 . 7 1 1 . CE2 C -12.028 12.437 -4.494 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 1 . 633 . 7 1 1 . CG C -11.117 13.806 -2.735 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 1 . 634 . 7 1 1 . CZ C -11.977 13.509 -5.370 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 1 . 635 . 7 1 1 . H H -9.399 15.851 0.104 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 1 . 636 . 7 1 1 . H11 H -8.702 13.255 1.302 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 1 . 637 . 7 1 1 . H12 H -10.306 13.986 1.265 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 1 . 638 . 7 1 1 . H13 H -9.010 14.752 2.184 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 1 . 639 . 7 1 1 . HA H -8.816 14.799 -2.003 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 1 . 640 . 7 1 1 . HB2 H -10.920 13.054 -0.780 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 641 . 7 1 1 . HB3 H -11.195 14.789 -0.878 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 642 . 7 1 1 . HD1 H -10.695 15.833 -3.280 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 1 . 643 . 7 1 1 . HD2 H -11.638 11.746 -2.512 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 644 . 7 1 1 . HE1 H -11.454 15.571 -5.616 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 1 . 645 . 7 1 1 . HE2 H -12.405 11.484 -4.829 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 646 . 7 1 1 . HN2 H -7.837 15.199 0.128 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 647 . 7 1 1 . HZ H -12.311 13.389 -6.389 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 1 . 648 . 7 1 1 . N N -8.861 14.967 0.096 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 1 . 649 . 7 1 1 . O O -9.029 11.810 -1.050 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 1 . 650 . 7 1 2 ILE C C -5.225 11.747 -0.340 . . . 1.0 . . . . . . . . . . . . F . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 651 . 7 1 2 ILE CA C -6.307 11.682 -1.415 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 652 . 7 1 2 ILE CB C -5.667 11.460 -2.825 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 653 . 7 1 2 ILE CD1 C -4.263 9.823 -4.224 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 654 . 7 1 2 ILE CG1 C -4.893 10.133 -2.884 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 655 . 7 1 2 ILE CG2 C -4.767 12.634 -3.209 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 656 . 7 1 2 ILE H H -6.649 13.768 -1.440 . . . 1.0 . . . . . . . . . . . . F . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 657 . 7 1 2 ILE HA H -6.966 10.849 -1.201 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 658 . 7 1 2 ILE HB H -6.470 11.418 -3.549 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 659 . 7 1 2 ILE HD11 H -5.037 9.604 -4.941 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 660 . 7 1 2 ILE HD12 H -3.610 8.971 -4.122 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 661 . 7 1 2 ILE HD13 H -3.691 10.678 -4.558 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 662 . 7 1 2 ILE HG12 H -4.103 10.155 -2.149 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 663 . 7 1 2 ILE HG13 H -5.567 9.323 -2.648 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 664 . 7 1 2 ILE HG21 H -4.444 12.528 -4.236 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 665 . 7 1 2 ILE HG22 H -3.903 12.654 -2.561 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 666 . 7 1 2 ILE HG23 H -5.318 13.556 -3.100 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 667 . 7 1 2 ILE N N -7.101 12.903 -1.371 . . . 1.0 . . . . . . . . . . . . F . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 668 . 7 1 2 ILE O O -4.730 12.829 -0.020 . . . 1.0 . . . . . . . . . . . . F . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 669 . 7 1 3 SER C C -3.192 9.158 1.256 . . . 1.0 . . . . . . . . . . . . F . 3 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 670 . 7 1 3 SER CA C -3.856 10.532 1.261 . . . 1.0 . . . . . . . . . . . . F . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 671 . 7 1 3 SER CB C -4.344 10.898 2.674 . . . 1.0 . . . . . . . . . . . . F . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 672 . 7 1 3 SER H H -5.394 9.788 0.002 . . . 1.0 . . . . . . . . . . . . F . 3 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 673 . 7 1 3 SER HA H -3.107 11.253 0.970 . . . 1.0 . . . . . . . . . . . . F . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 674 . 7 1 3 SER HB2 H -5.131 10.219 2.960 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 675 . 7 1 3 SER HB3 H -3.525 10.801 3.364 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 676 . 7 1 3 SER HG H -4.865 12.614 1.891 . . . 1.0 . . . . . . . . . . . . F . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 677 . 7 1 3 SER N N -4.912 10.603 0.257 . . . 1.0 . . . . . . . . . . . . F . 3 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 678 . 7 1 3 SER O O -3.854 8.112 1.101 . . . 1.0 . . . . . . . . . . . . F . 3 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 679 . 7 1 3 SER OG O -4.850 12.205 2.773 . . . 1.0 . . . . . . . . . . . . F . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 680 . 7 1 4 . C C 0.178 8.094 0.668 . . . 1.0 . . . . . . . . . . . . F . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 1 . 681 . 7 1 4 . CA C -1.101 7.947 1.451 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 1 . 682 . 7 1 4 . CB C -0.746 7.568 2.868 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 1 . 683 . 7 1 4 . CD C -1.679 6.872 5.066 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 1 . 684 . 7 1 4 . CG C -1.851 6.823 3.562 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 1 . 685 . 7 1 4 . CZ C -2.922 8.538 6.375 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 1 . 686 . 7 1 4 . H H -1.433 10.018 1.640 . . . 1.0 . . . . . . . . . . . . F . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 1 . 687 . 7 1 4 . HA H -1.695 7.165 1.014 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 1 . 688 . 7 1 4 . HB2 H -0.537 8.468 3.427 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 689 . 7 1 4 . HB3 H 0.137 6.947 2.853 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 690 . 7 1 4 . HD2 H -0.669 6.575 5.311 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 691 . 7 1 4 . HD3 H -2.379 6.188 5.524 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 692 . 7 1 4 . HE H -1.255 8.897 5.338 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 1 . 693 . 7 1 4 . HG2 H -1.831 5.791 3.241 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 694 . 7 1 4 . HG3 H -2.795 7.270 3.298 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 695 . 7 1 4 . HH11 H -3.807 10.042 7.462 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 1 . 696 . 7 1 4 . HH12 H -2.288 10.481 6.603 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 1 . 697 . 7 1 4 . HH21 H -4.627 7.905 7.335 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 1 . 698 . 7 1 4 . HH22 H -3.856 6.711 6.228 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 1 . 699 . 7 1 4 . N N -1.882 9.167 1.451 . . . 1.0 . . . . . . . . . . . . F . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 1 . 700 . 7 1 4 . NE N -1.917 8.211 5.572 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 1 . 701 . 7 1 4 . NH1 N -3.015 9.775 6.841 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 1 . 702 . 7 1 4 . NH2 N -3.864 7.652 6.674 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 1 . 703 . 7 1 4 . O O 1.025 8.919 1.012 . . . 1.0 . . . . . . . . . . . . F . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 1 . 704 . 7 1 5 . C C 2.197 5.949 -1.209 . . . 1.0 . . . . . . . . . . . . F . 5 28J C . . . . . . . . . c50202_6yfy 1 . 1 . 705 . 7 1 5 . CA C 1.540 7.324 -1.168 . . . 1.0 . . . . . . . . . . . . F . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 1 . 706 . 7 1 5 . CB C 1.277 7.839 -2.608 . . . 1.0 . . . . . . . . . . . . F . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 1 . 707 . 7 1 5 . CD1 C 3.014 9.715 -2.689 . . . 1.0 . . . . . . . . . . . . F . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 708 . 7 1 5 . CG1 C 1.542 9.349 -2.713 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 709 . 7 1 5 . CG2 C -0.160 7.542 -3.010 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 710 . 7 1 5 . H21 H 2.221 8.010 -0.689 . . . 1.0 . . . . . . . . . . . . F . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 1 . 711 . 7 1 5 . H22 H 1.934 7.314 -3.285 . . . 1.0 . . . . . . . . . . . . F . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 1 . 712 . 7 1 5 . H23 H -0.832 8.079 -2.356 . . . 1.0 . . . . . . . . . . . . F . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 1 . 713 . 7 1 5 . H24 H -0.347 6.482 -2.926 . . . 1.0 . . . . . . . . . . . . F . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 1 . 714 . 7 1 5 . H25 H -0.322 7.857 -4.030 . . . 1.0 . . . . . . . . . . . . F . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 1 . 715 . 7 1 5 . H26 H 1.060 9.854 -1.889 . . . 1.0 . . . . . . . . . . . . F . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 1 . 716 . 7 1 5 . H27 H 1.130 9.714 -3.642 . . . 1.0 . . . . . . . . . . . . F . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 1 . 717 . 7 1 5 . H28 H 3.508 9.280 -3.546 . . . 1.0 . . . . . . . . . . . . F . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 1 . 718 . 7 1 5 . H29 H 3.465 9.335 -1.784 . . . 1.0 . . . . . . . . . . . . F . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 1 . 719 . 7 1 5 . H30 H 3.120 10.789 -2.720 . . . 1.0 . . . . . . . . . . . . F . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 1 . 720 . 7 1 5 . N N 0.328 7.286 -0.375 . . . 1.0 . . . . . . . . . . . . F . 5 28J N . . . . . . . . . c50202_6yfy 1 . 1 . 721 . 7 1 5 . O O 1.588 4.937 -0.827 . . . 1.0 . . . . . . . . . . . . F . 5 28J O . . . . . . . . . c50202_6yfy 1 . 1 . 722 . 7 1 6 ILE C C 5.516 4.695 -0.853 . . . 1.0 . . . . . . . . . . . . F . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 723 . 7 1 6 ILE CA C 4.262 4.735 -1.754 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 724 . 7 1 6 ILE CB C 4.672 4.634 -3.237 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 725 . 7 1 6 ILE CD1 C 6.626 5.305 -4.718 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 726 . 7 1 6 ILE CG1 C 5.692 5.701 -3.622 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 727 . 7 1 6 ILE CG2 C 3.443 4.709 -4.152 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 728 . 7 1 6 ILE H H 3.900 6.816 -1.774 . . . 1.0 . . . . . . . . . . . . F . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 729 . 7 1 6 ILE HA H 3.635 3.890 -1.525 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 730 . 7 1 6 ILE HB H 5.111 3.660 -3.381 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 731 . 7 1 6 ILE HD11 H 7.135 4.394 -4.448 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 732 . 7 1 6 ILE HD12 H 7.349 6.093 -4.880 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 733 . 7 1 6 ILE HD13 H 6.056 5.145 -5.623 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 734 . 7 1 6 ILE HG12 H 5.168 6.578 -3.962 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 735 . 7 1 6 ILE HG13 H 6.285 5.954 -2.758 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 736 . 7 1 6 ILE HG21 H 2.738 3.935 -3.878 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 737 . 7 1 6 ILE HG22 H 3.744 4.573 -5.183 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 738 . 7 1 6 ILE HG23 H 2.974 5.673 -4.041 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 739 . 7 1 6 ILE N N 3.472 5.954 -1.590 . . . 1.0 . . . . . . . . . . . . F . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 740 . 7 1 6 ILE O O 6.290 5.655 -0.802 . . . 1.0 . . . . . . . . . . . . F . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 1 . 741 . 7 1 7 SER C C 7.181 1.896 0.972 . . . 1.0 . . . . . . . . . . . . F . 7 SER C . . . . . . . . . c50202_6yfy 1 . 1 . 742 . 7 1 7 SER CA C 6.857 3.384 0.759 . . . 1.0 . . . . . . . . . . . . F . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 1 . 743 . 7 1 7 SER CB C 6.600 3.960 2.150 . . . 1.0 . . . . . . . . . . . . F . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 1 . 744 . 7 1 7 SER H H 4.980 2.890 -0.134 . . . 1.0 . . . . . . . . . . . . F . 7 SER H . . . . . . . . . c50202_6yfy 1 . 1 . 745 . 7 1 7 SER HA H 7.706 3.887 0.322 . . . 1.0 . . . . . . . . . . . . F . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 1 . 746 . 7 1 7 SER HB2 H 5.835 3.384 2.649 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 747 . 7 1 7 SER HB3 H 7.505 3.959 2.728 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 748 . 7 1 7 SER HG H 6.506 5.687 1.239 . . . 1.0 . . . . . . . . . . . . F . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 1 . 749 . 7 1 7 SER N N 5.684 3.581 -0.118 . . . 1.0 . . . . . . . . . . . . F . 7 SER N . . . . . . . . . c50202_6yfy 1 . 1 . 750 . 7 1 7 SER O O 6.425 0.998 0.549 . . . 1.0 . . . . . . . . . . . . F . 7 SER O . . . . . . . . . c50202_6yfy 1 . 1 . 751 . 7 1 7 SER OG O 6.145 5.283 2.035 . . . 1.0 . . . . . . . . . . . . F . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 1 . 752 . 7 1 8 DTH C C 10.333 0.253 1.800 . . . 1.0 . . . . . . . . . . . . F . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 1 . 753 . 7 1 8 DTH CA C 8.781 0.324 2.030 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 1 . 754 . 7 1 8 DTH CB C 8.582 -0.021 3.536 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 1 . 755 . 7 1 8 DTH CG2 C 7.159 0.249 3.957 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 756 . 7 1 8 DTH H H 8.972 2.408 1.711 . . . 1.0 . . . . . . . . . . . . F . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 1 . 757 . 7 1 8 DTH HA H 8.320 -0.428 1.413 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 1 . 758 . 7 1 8 DTH HB H 8.818 -1.084 3.701 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 1 . 759 . 7 1 8 DTH HG21 H 6.497 -0.461 3.485 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 760 . 7 1 8 DTH HG22 H 6.875 1.253 3.678 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 761 . 7 1 8 DTH HG23 H 7.088 0.143 5.031 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 762 . 7 1 8 DTH N N 8.330 1.663 1.616 . . . 1.0 . . . . . . . . . . . . F . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 1 . 763 . 7 1 8 DTH O O 10.901 -0.791 2.152 . . . 1.0 . . . . . . . . . . . . F . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 1 . 764 . 7 1 8 DTH OG1 O 9.506 0.739 4.345 . . . 1.0 . . . . . . . . . . . . F . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 1 . 765 . 7 1 9 ALA C C 13.055 1.299 2.393 . . . 1.0 . . . . . . . . . . . . F . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 766 . 7 1 9 ALA CA C 12.329 1.423 1.073 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 767 . 7 1 9 ALA CB C 12.648 2.755 0.355 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 768 . 7 1 9 ALA H H 10.398 2.041 0.945 . . . 1.0 . . . . . . . . . . . . F . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 1 . 769 . 7 1 9 ALA HA H 12.606 0.641 0.435 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 770 . 7 1 9 ALA HB1 H 11.816 3.039 -0.271 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 771 . 7 1 9 ALA HB2 H 13.524 2.635 -0.263 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 772 . 7 1 9 ALA HB3 H 12.827 3.535 1.082 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 773 . 7 1 9 ALA N N 10.934 1.327 1.282 . . . 1.0 . . . . . . . . . . . . F . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 774 . 7 1 9 ALA O O 13.699 0.288 2.717 . . . 1.0 . . . . . . . . . . . . F . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 775 . 7 1 10 LEU C C 12.719 1.741 5.481 . . . 1.0 . . . . . . . . . . . . F . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 1 . 776 . 7 1 10 LEU CA C 13.513 2.545 4.446 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 1 . 777 . 7 1 10 LEU CB C 13.473 4.031 4.865 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 1 . 778 . 7 1 10 LEU CD1 C 15.153 4.387 3.101 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 779 . 7 1 10 LEU CD2 C 12.937 5.475 2.853 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 1 . 780 . 7 1 10 LEU CG C 14.013 5.028 3.838 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 1 . 781 . 7 1 10 LEU H H 12.637 3.170 2.628 . . . 1.0 . . . . . . . . . . . . F . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 1 . 782 . 7 1 10 LEU HA H 14.529 2.199 4.446 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 1 . 783 . 7 1 10 LEU HB2 H 12.451 4.299 5.098 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 784 . 7 1 10 LEU HB3 H 14.059 4.130 5.768 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 785 . 7 1 10 LEU HD11 H 15.612 5.117 2.447 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 786 . 7 1 10 LEU HD12 H 14.787 3.558 2.516 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 787 . 7 1 10 LEU HD13 H 15.883 4.035 3.812 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 788 . 7 1 10 LEU HD21 H 12.839 6.549 2.884 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 1 . 789 . 7 1 10 LEU HD22 H 11.995 5.016 3.113 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 1 . 790 . 7 1 10 LEU HD23 H 13.223 5.174 1.862 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 1 . 791 . 7 1 10 LEU HG H 14.392 5.904 4.351 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 1 . 792 . 7 1 10 LEU N N 12.984 2.391 3.091 . . . 1.0 . . . . . . . . . . . . F . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 1 . 793 . 7 1 10 LEU O O 13.277 0.897 6.197 . . . 1.0 . . . . . . . . . . . . F . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 1 . 794 . 7 1 11 ILE C C 9.492 0.489 5.757 . . . 1.0 . . . . . . . . . . . . F . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 1 . 795 . 7 1 11 ILE CA C 10.535 1.317 6.511 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 1 . 796 . 7 1 11 ILE CB C 9.805 2.318 7.480 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 1 . 797 . 7 1 11 ILE CD1 C 7.501 3.219 6.756 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 1 . 798 . 7 1 11 ILE CG1 C 9.015 3.410 6.725 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 1 . 799 . 7 1 11 ILE CG2 C 10.817 2.991 8.397 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 1 . 800 . 7 1 11 ILE H H 11.013 2.545 4.810 . . . 1.0 . . . . . . . . . . . . F . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 1 . 801 . 7 1 11 ILE HA H 11.147 0.646 7.104 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 1 . 802 . 7 1 11 ILE HB H 9.123 1.751 8.097 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 1 . 803 . 7 1 11 ILE HD11 H 7.242 2.279 6.289 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 1 . 804 . 7 1 11 ILE HD12 H 7.022 4.027 6.222 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 1 . 805 . 7 1 11 ILE HD13 H 7.157 3.215 7.781 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 1 . 806 . 7 1 11 ILE HG12 H 9.229 4.370 7.171 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 1 . 807 . 7 1 11 ILE HG13 H 9.326 3.424 5.691 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 1 . 808 . 7 1 11 ILE HG21 H 11.353 3.750 7.844 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 1 . 809 . 7 1 11 ILE HG22 H 11.513 2.257 8.769 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 1 . 810 . 7 1 11 ILE HG23 H 10.299 3.451 9.226 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 1 . 811 . 7 1 11 ILE N N 11.415 1.984 5.530 . . . 1.0 . . . . . . . . . . . . F . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 1 . 812 . 8 4 1 . C1 C -14.279 -11.170 2.193 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 1 . 813 . 8 4 1 . C2 C -15.552 -11.652 1.563 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 1 . 814 . 8 4 1 . C3 C -15.295 -12.025 0.123 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 1 . 815 . 8 4 1 . C4 C -14.611 -10.860 -0.610 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 1 . 816 . 8 4 1 . C5 C -13.389 -10.355 0.166 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 1 . 817 . 8 4 1 . C6 C -12.774 -9.117 -0.476 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 1 . 818 . 8 4 1 . C7 C -15.401 -13.932 2.425 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 1 . 819 . 8 4 1 . C8 C -16.026 -15.055 3.231 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 1 . 820 . 8 4 1 . H1 H -13.503 -11.972 2.255 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 1 . 821 . 8 4 1 . H2 H -16.421 -11.003 1.668 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 1 . 822 . 8 4 1 . H3 H -14.626 -12.905 0.021 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 1 . 823 . 8 4 1 . H4 H -15.456 -10.159 -0.851 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 1 . 824 . 8 4 1 . H5 H -12.578 -11.084 0.181 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 1 . 825 . 8 4 1 . H61 H -13.479 -8.283 -0.498 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 1 . 826 . 8 4 1 . H62 H -12.531 -9.356 -1.517 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 1 . 827 . 8 4 1 . H81 H -16.976 -15.322 2.781 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 1 . 828 . 8 4 1 . H82 H -16.193 -14.731 4.243 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 1 . 829 . 8 4 1 . H83 H -15.357 -15.912 3.236 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 1 . 830 . 8 4 1 . HN2 H -16.900 -12.654 2.815 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 831 . 8 4 1 . HO3 H -16.387 -12.423 -1.423 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 1 . 832 . 8 4 1 . HO4 H -13.448 -11.896 -1.816 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 1 . 833 . 8 4 1 . HO6 H -11.529 -9.294 0.976 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 834 . 8 4 1 . N2 N -16.081 -12.786 2.305 . . . 1.0 . . . . . . . . . . . . C . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 1 . 835 . 8 4 1 . O3 O -16.533 -12.328 -0.497 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 1 . 836 . 8 4 1 . O4 O -14.201 -11.296 -1.899 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 1 . 837 . 8 4 1 . O5 O -13.770 -10.027 1.507 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 1 . 838 . 8 4 1 . O6 O -11.654 -8.652 0.262 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 1 . 839 . 8 4 1 . O7 O -14.359 -14.150 1.810 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 1 . 840 . 9 5 1 ALA C C -17.166 -11.716 5.321 . . . 1.0 . . . . . . . . . . . . C . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 841 . 9 5 1 ALA CA C -16.083 -12.408 6.218 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 842 . 9 5 1 ALA CB C -15.996 -11.671 7.510 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 843 . 9 5 1 ALA H1 H -14.669 -12.125 4.597 . . . 1.0 . . . . . . . . . . . . C . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 1 . 844 . 9 5 1 ALA HA H -16.380 -13.431 6.449 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 845 . 9 5 1 ALA HB1 H -15.319 -12.199 8.172 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 846 . 9 5 1 ALA HB2 H -16.984 -11.604 7.956 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 847 . 9 5 1 ALA HB3 H -15.615 -10.696 7.305 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 848 . 9 5 1 ALA N N -14.737 -12.416 5.566 . . . 1.0 . . . . . . . . . . . . C . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 849 . 9 5 1 ALA O O -17.694 -12.293 4.375 . . . 1.0 . . . . . . . . . . . . C . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 850 . 9 5 2 . C C -18.396 -9.908 3.414 . . . 1.0 . . . . . . . . . . . . C . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 1 . 851 . 9 5 2 . CA C -18.601 -9.700 4.955 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 1 . 852 . 9 5 2 . CB C -19.952 -10.265 5.015 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 1 . 853 . 9 5 2 . CD C -20.835 -12.651 4.712 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 1 . 854 . 9 5 2 . CG C -20.088 -11.699 5.650 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 1 . 855 . 9 5 2 . H H -17.113 -10.068 6.548 . . . 1.0 . . . . . . . . . . . . C . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 1 . 856 . 9 5 2 . HA H -18.460 -8.685 5.327 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 1 . 857 . 9 5 2 . HB2 H -20.309 -10.253 4.013 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 858 . 9 5 2 . HB3 H -20.531 -9.564 5.603 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 859 . 9 5 2 . HG2 H -20.665 -11.606 6.551 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 860 . 9 5 2 . HG3 H -19.107 -12.132 5.889 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 861 . 9 5 2 . N N -17.611 -10.486 5.816 . . . 1.0 . . . . . . . . . . . . C . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 1 . 862 . 9 5 2 . O O -17.194 -9.708 3.027 . . . 1.0 . . . . . . . . . . . . C . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 1 . 863 . 9 5 2 . OE1 O -21.541 -13.549 5.174 . . . 1.0 . . . . . . . . . . . . C . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 1 . 864 . 9 5 3 LYS C C -22.835 -13.156 2.379 . . . 1.0 . . . . . . . . . . . . C . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 1 . 865 . 9 5 3 LYS CA C -21.291 -13.262 2.412 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 1 . 866 . 9 5 3 LYS CB C -20.668 -14.662 2.409 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 1 . 867 . 9 5 3 LYS CD C -19.946 -14.119 -0.077 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 1 . 868 . 9 5 3 LYS CE C -19.448 -12.639 -0.420 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 1 . 869 . 9 5 3 LYS CG C -19.569 -14.718 1.318 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 1 . 870 . 9 5 3 LYS H H -20.093 -11.733 3.141 . . . 1.0 . . . . . . . . . . . . C . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 1 . 871 . 9 5 3 LYS HA H -20.974 -12.809 1.502 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 1 . 872 . 9 5 3 LYS HB2 H -20.201 -14.844 3.384 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 873 . 9 5 3 LYS HB3 H -21.406 -15.424 2.219 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 874 . 9 5 3 LYS HD2 H -19.741 -14.846 -0.847 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 875 . 9 5 3 LYS HD3 H -21.010 -13.994 -0.004 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 876 . 9 5 3 LYS HE2 H -18.365 -12.692 -0.305 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 877 . 9 5 3 LYS HE3 H -20.008 -12.519 -1.348 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 1 . 878 . 9 5 3 LYS HG2 H -18.706 -14.208 1.692 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 879 . 9 5 3 LYS HG3 H -19.308 -15.778 1.179 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 880 . 9 5 3 LYS HZ1 H -19.747 -11.280 1.232 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 1 . 881 . 9 5 3 LYS HZ2 H -20.790 -11.072 0.027 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 1 . 882 . 9 5 3 LYS HZ3 H -19.180 -10.614 -0.225 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 1 . 883 . 9 5 3 LYS N N -20.675 -12.451 3.429 . . . 1.0 . . . . . . . . . . . . C . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 1 . 884 . 9 5 3 LYS NZ N -19.820 -11.290 0.204 . . . 1.0 . . . . . . . . . . . . C . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 1 . 885 . 9 5 3 LYS O O -23.562 -14.129 2.054 . . . 1.0 . . . . . . . . . . . . C . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 1 . 886 . 9 5 4 DAL C C -24.617 -10.286 1.608 . . . 1.0 . . . . . . . . . . . . C . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 887 . 9 5 4 DAL CA C -24.669 -11.234 2.988 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 888 . 9 5 4 DAL CB C -25.955 -12.108 3.615 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 889 . 9 5 4 DAL H H -22.471 -11.391 3.233 . . . 1.0 . . . . . . . . . . . . C . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 890 . 9 5 4 DAL HA H -24.947 -10.618 3.843 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 891 . 9 5 4 DAL HB1 H -25.683 -12.519 4.585 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 892 . 9 5 4 DAL HB2 H -26.220 -12.947 2.960 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 893 . 9 5 4 DAL HB3 H -26.872 -11.451 3.777 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 894 . 9 5 4 DAL N N -23.219 -11.906 2.876 . . . 1.0 . . . . . . . . . . . . C . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 895 . 9 5 4 DAL O O -25.383 -10.420 0.677 . . . 1.0 . . . . . . . . . . . . C . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 1 . 896 . 9 5 5 DAL C C -22.749 -9.123 -0.799 . . . 1.0 . . . . . . . . . . . . C . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 897 . 9 5 5 DAL CA C -23.253 -8.300 0.509 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 898 . 9 5 5 DAL CB C -24.666 -7.599 0.376 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 899 . 9 5 5 DAL H H -22.912 -9.520 2.356 . . . 1.0 . . . . . . . . . . . . C . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 900 . 9 5 5 DAL HA H -22.478 -7.558 0.699 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 901 . 9 5 5 DAL HB1 H -25.347 -8.396 0.334 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 902 . 9 5 5 DAL HB2 H -24.669 -7.057 -0.547 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 903 . 9 5 5 DAL HB3 H -24.945 -6.907 1.213 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 904 . 9 5 5 DAL N N -23.571 -9.381 1.603 . . . 1.0 . . . . . . . . . . . . C . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 905 . 10 3 1 . C1 C 13.106 -5.282 -4.995 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 1 . 906 . 10 3 1 . C10 C 15.069 -2.017 -8.306 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 1 . 907 . 10 3 1 . C11 C 12.649 -3.152 -8.717 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 1 . 908 . 10 3 1 . C2 C 13.167 -5.116 -6.517 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 1 . 909 . 10 3 1 . C3 C 14.625 -5.171 -6.958 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 1 . 910 . 10 3 1 . C4 C 15.517 -4.509 -5.910 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 1 . 911 . 10 3 1 . C5 C 15.484 -5.350 -4.630 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 1 . 912 . 10 3 1 . C6 C 15.676 -4.484 -3.397 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 1 . 913 . 10 3 1 . C7 C 12.881 -7.288 -7.524 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 1 . 914 . 10 3 1 . C8 C 12.047 -8.288 -8.246 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 1 . 915 . 10 3 1 . C9 C 14.172 -3.268 -8.349 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 1 . 916 . 10 3 1 . H1 H 13.117 -4.293 -4.473 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 1 . 917 . 10 3 1 . H111 H 12.299 -3.987 -9.364 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 1 . 918 . 10 3 1 . H112 H 12.491 -2.259 -9.233 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 1 . 919 . 10 3 1 . H113 H 12.067 -3.098 -7.790 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 1 . 920 . 10 3 1 . H2 H 12.613 -4.166 -6.656 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 1 . 921 . 10 3 1 . H3 H 14.939 -6.189 -7.180 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 1 . 922 . 10 3 1 . H4A H 15.408 -3.442 -5.849 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 1 . 923 . 10 3 1 . H5 H 16.282 -6.037 -4.577 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 1 . 924 . 10 3 1 . H61 H 16.733 -4.147 -3.415 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 1 . 925 . 10 3 1 . H62 H 15.515 -5.009 -2.401 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 1 . 926 . 10 3 1 . H81 H 11.793 -7.888 -9.222 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 1 . 927 . 10 3 1 . H82 H 11.149 -8.477 -7.697 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 1 . 928 . 10 3 1 . H83 H 12.612 -9.214 -8.335 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 1 . 929 . 10 3 1 . H9 H 14.211 -3.128 -7.242 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 1 . 930 . 10 3 1 . HN2 H 11.403 -5.921 -7.449 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 931 . 10 3 1 . HO6 H 15.507 -2.500 -3.465 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 932 . 10 3 1 . N2 N 12.363 -6.110 -7.219 . . . 1.0 . . . . . . . . . . . . D . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 1 . 933 . 10 3 1 . O1 O 11.921 -5.888 -4.614 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 1 . 934 . 10 3 1 . O10 O 14.947 -1.166 -9.160 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 1 . 935 . 10 3 1 . O3 O 14.786 -4.573 -8.258 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 1 . 936 . 10 3 1 . O4 O 16.868 -4.409 -6.451 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 1 . 937 . 10 3 1 . O5 O 14.219 -6.056 -4.504 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 1 . 938 . 10 3 1 . O6 O 14.945 -3.276 -3.497 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 1 . 939 . 10 3 1 . O7 O 14.041 -7.565 -7.243 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 1 . 940 . 11 5 1 ALA C C 17.885 -1.059 -5.985 . . . 1.0 . . . . . . . . . . . . D . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 941 . 11 5 1 ALA CA C 16.944 -0.806 -7.192 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 942 . 11 5 1 ALA CB C 16.117 0.419 -6.938 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 943 . 11 5 1 ALA H1 H 16.252 -2.803 -6.810 . . . 1.0 . . . . . . . . . . . . D . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 1 . 944 . 11 5 1 ALA HA H 17.532 -0.628 -8.093 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 945 . 11 5 1 ALA HB1 H 15.425 0.541 -7.762 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 946 . 11 5 1 ALA HB2 H 16.761 1.293 -6.855 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 947 . 11 5 1 ALA HB3 H 15.577 0.273 -6.030 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 948 . 11 5 1 ALA N N 16.058 -1.979 -7.370 . . . 1.0 . . . . . . . . . . . . D . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 949 . 11 5 1 ALA O O 17.662 -1.917 -5.124 . . . 1.0 . . . . . . . . . . . . D . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 950 . 11 5 2 . C C 19.380 -0.869 -3.535 . . . 1.0 . . . . . . . . . . . . D . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 1 . 951 . 11 5 2 . CA C 20.064 -0.533 -4.926 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 1 . 952 . 11 5 2 . CB C 20.900 -1.802 -5.060 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 1 . 953 . 11 5 2 . CD C 20.215 -4.215 -4.396 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 1 . 954 . 11 5 2 . CG C 20.155 -3.143 -5.502 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 1 . 955 . 11 5 2 . H H 19.281 0.194 -6.858 . . . 1.0 . . . . . . . . . . . . D . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 1 . 956 . 11 5 2 . HA H 20.553 0.441 -4.936 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 1 . 957 . 11 5 2 . HB2 H 21.381 -1.906 -4.135 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 958 . 11 5 2 . HB3 H 21.667 -1.548 -5.826 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 959 . 11 5 2 . HG2 H 20.653 -3.544 -6.370 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 960 . 11 5 2 . HG3 H 19.098 -2.953 -5.758 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 961 . 11 5 2 . N N 19.114 -0.490 -6.108 . . . 1.0 . . . . . . . . . . . . D . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 1 . 962 . 11 5 2 . O O 19.757 -1.752 -2.821 . . . 1.0 . . . . . . . . . . . . D . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 1 . 963 . 11 5 2 . OE1 O 21.132 -5.035 -4.376 . . . 1.0 . . . . . . . . . . . . D . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 1 . 964 . 11 5 3 LYS C C 20.305 -5.055 -1.378 . . . 1.0 . . . . . . . . . . . . D . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 1 . 965 . 11 5 3 LYS CA C 19.156 -5.142 -2.413 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 1 . 966 . 11 5 3 LYS CB C 18.797 -6.527 -2.963 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 1 . 967 . 11 5 3 LYS CD C 18.278 -8.731 -1.594 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 1 . 968 . 11 5 3 LYS CE C 19.658 -8.995 -0.833 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 1 . 969 . 11 5 3 LYS CG C 17.892 -7.253 -1.935 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 1 . 970 . 11 5 3 LYS H H 18.566 -3.522 -3.574 . . . 1.0 . . . . . . . . . . . . D . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 1 . 971 . 11 5 3 LYS HA H 18.294 -4.821 -1.877 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 1 . 972 . 11 5 3 LYS HB2 H 18.235 -6.403 -3.895 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 973 . 11 5 3 LYS HB3 H 19.677 -7.120 -3.153 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 974 . 11 5 3 LYS HD2 H 17.427 -9.230 -1.156 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 975 . 11 5 3 LYS HD3 H 18.460 -9.158 -2.562 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 976 . 11 5 3 LYS HE2 H 19.565 -10.017 -0.466 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 977 . 11 5 3 LYS HE3 H 20.319 -8.634 -1.621 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 1 . 978 . 11 5 3 LYS HG2 H 17.892 -6.677 -1.032 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 979 . 11 5 3 LYS HG3 H 16.872 -7.248 -2.346 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 980 . 11 5 3 LYS HZ1 H 20.919 -8.841 0.915 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 1 . 981 . 11 5 3 LYS HZ2 H 19.591 -7.780 0.973 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 1 . 982 . 11 5 3 LYS HZ3 H 20.853 -7.490 -0.112 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 1 . 983 . 11 5 3 LYS N N 19.257 -4.194 -3.499 . . . 1.0 . . . . . . . . . . . . D . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 1 . 984 . 11 5 3 LYS NZ N 20.318 -8.244 0.329 . . . 1.0 . . . . . . . . . . . . D . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 1 . 985 . 11 5 3 LYS O O 20.982 -6.063 -1.048 . . . 1.0 . . . . . . . . . . . . D . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 1 . 986 . 11 5 4 DAL C C 21.235 -4.161 1.319 . . . 1.0 . . . . . . . . . . . . D . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 987 . 11 5 4 DAL CA C 21.481 -3.070 0.070 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 988 . 11 5 4 DAL CB C 22.906 -2.333 -0.418 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 989 . 11 5 4 DAL H H 19.961 -3.099 -1.545 . . . 1.0 . . . . . . . . . . . . D . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 990 . 11 5 4 DAL HA H 21.333 -2.055 0.440 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 991 . 11 5 4 DAL HB1 H 22.699 -1.620 -1.214 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 992 . 11 5 4 DAL HB2 H 23.619 -3.071 -0.808 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 993 . 11 5 4 DAL HB3 H 23.394 -1.751 0.433 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 994 . 11 5 4 DAL N N 20.498 -3.718 -1.017 . . . 1.0 . . . . . . . . . . . . D . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 995 . 11 5 4 DAL O O 22.067 -4.971 1.670 . . . 1.0 . . . . . . . . . . . . D . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 1 . 996 . 11 5 5 DAL C C 19.562 -6.471 2.644 . . . 1.0 . . . . . . . . . . . . D . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 997 . 11 5 5 DAL CA C 19.409 -4.906 3.078 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 998 . 11 5 5 DAL CB C 20.374 -4.392 4.223 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 999 . 11 5 5 DAL H H 19.333 -3.506 1.343 . . . 1.0 . . . . . . . . . . . . D . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 1000 . 11 5 5 DAL HA H 18.371 -4.792 3.391 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1001 . 11 5 5 DAL HB1 H 21.324 -4.397 3.792 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1002 . 11 5 5 DAL HB2 H 20.325 -5.115 5.023 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1003 . 11 5 5 DAL HB3 H 20.140 -3.379 4.636 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1004 . 11 5 5 DAL N N 19.967 -4.097 1.865 . . . 1.0 . . . . . . . . . . . . D . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 1005 . 12 4 1 . C1 C 17.350 -5.598 -7.095 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1006 . 12 4 1 . C2 C 18.826 -5.445 -7.390 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1007 . 12 4 1 . C3 C 19.357 -6.689 -8.058 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1008 . 12 4 1 . C4 C 18.967 -7.933 -7.244 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1009 . 12 4 1 . C5 C 17.468 -7.945 -6.944 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1010 . 12 4 1 . C6 C 17.061 -9.122 -6.073 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 1 . 1011 . 12 4 1 . C7 C 18.397 -4.052 -9.340 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 1 . 1012 . 12 4 1 . C8 C 18.702 -2.789 -10.119 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 1 . 1013 . 12 4 1 . H1 H 16.746 -5.643 -8.039 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1014 . 12 4 1 . H2 H 19.465 -5.143 -6.576 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1015 . 12 4 1 . H3 H 18.944 -6.832 -9.078 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 1 . 1016 . 12 4 1 . H4 H 19.711 -7.950 -6.401 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 1 . 1017 . 12 4 1 . H5 H 16.871 -8.061 -7.845 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 1 . 1018 . 12 4 1 . H61 H 17.514 -10.035 -6.462 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 1 . 1019 . 12 4 1 . H62 H 15.972 -9.236 -6.156 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 1 . 1020 . 12 4 1 . H81 H 19.751 -2.793 -10.395 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 1 . 1021 . 12 4 1 . H82 H 18.499 -1.926 -9.511 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 1 . 1022 . 12 4 1 . H83 H 18.078 -2.755 -11.009 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 1 . 1023 . 12 4 1 . HN2 H 19.629 -3.566 -7.835 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 1024 . 12 4 1 . HO3 H 21.106 -7.432 -8.395 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 1 . 1025 . 12 4 1 . HO4 H 18.702 -9.203 -8.728 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 1 . 1026 . 12 4 1 . HO6 H 17.633 -8.015 -4.599 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 1027 . 12 4 1 . N2 N 19.068 -4.270 -8.207 . . . 1.0 . . . . . . . . . . . . D . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 1 . 1028 . 12 4 1 . O3 O 20.767 -6.590 -8.146 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 1 . 1029 . 12 4 1 . O4 O 19.304 -9.101 -7.980 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 1 . 1030 . 12 4 1 . O5 O 17.098 -6.736 -6.275 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 1 . 1031 . 12 4 1 . O6 O 17.529 -8.969 -4.742 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 1 . 1032 . 12 4 1 . O7 O 17.672 -4.904 -9.849 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 1 . 1033 . 13 5 1 ALA C C -16.872 2.446 -6.769 . . . 1.0 . . . . . . . . . . . . G . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 1034 . 13 5 1 ALA CA C -16.248 1.345 -5.864 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 1035 . 13 5 1 ALA CB C -16.834 1.462 -4.496 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 1036 . 13 5 1 ALA H1 H -14.344 2.216 -6.404 . . . 1.0 . . . . . . . . . . . . G . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1037 . 13 5 1 ALA HA H -16.478 0.341 -6.239 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 1038 . 13 5 1 ALA HB1 H -16.573 2.428 -4.084 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1039 . 13 5 1 ALA HB2 H -16.452 0.665 -3.864 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1040 . 13 5 1 ALA HB3 H -17.895 1.381 -4.586 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1041 . 13 5 1 ALA N N -14.775 1.531 -5.788 . . . 1.0 . . . . . . . . . . . . G . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 1042 . 13 5 1 ALA O O -17.775 2.210 -7.619 . . . 1.0 . . . . . . . . . . . . G . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 1043 . 13 5 2 . C C -16.271 4.783 -8.674 . . . 1.0 . . . . . . . . . . . . G . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 1 . 1044 . 13 5 2 . CA C -16.872 4.909 -7.227 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1045 . 13 5 2 . CB C -18.467 4.852 -7.529 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1046 . 13 5 2 . CD C -19.081 7.150 -6.559 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 1 . 1047 . 13 5 2 . CG C -19.178 6.241 -7.788 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 1 . 1048 . 13 5 2 . H H -15.831 3.836 -5.661 . . . 1.0 . . . . . . . . . . . . G . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 1 . 1049 . 13 5 2 . HA H -16.527 5.791 -6.688 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1050 . 13 5 2 . HB2 H -18.859 4.371 -6.690 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1051 . 13 5 2 . HB3 H -18.645 4.203 -8.433 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1052 . 13 5 2 . HG2 H -20.224 6.074 -7.977 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 1053 . 13 5 2 . HG3 H -18.740 6.766 -8.650 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 1054 . 13 5 2 . N N -16.510 3.702 -6.405 . . . 1.0 . . . . . . . . . . . . G . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 1 . 1055 . 13 5 2 . O O -15.411 5.546 -9.060 . . . 1.0 . . . . . . . . . . . . G . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 1 . 1056 . 13 5 2 . OE1 O -20.003 7.188 -5.737 . . . 1.0 . . . . . . . . . . . . G . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 1 . 1057 . 13 5 3 LYS C C -17.560 8.067 -3.995 . . . 1.0 . . . . . . . . . . . . G . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 1 . 1058 . 13 5 3 LYS CA C -17.749 8.770 -5.360 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 1 . 1059 . 13 5 3 LYS CB C -18.733 9.940 -5.437 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 1 . 1060 . 13 5 3 LYS CD C -18.839 12.504 -4.800 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 1 . 1061 . 13 5 3 LYS CE C -18.094 13.888 -4.515 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 1 . 1062 . 13 5 3 LYS CG C -17.965 11.259 -5.166 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 1 . 1063 . 13 5 3 LYS H H -17.322 7.798 -7.135 . . . 1.0 . . . . . . . . . . . . G . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 1 . 1064 . 13 5 3 LYS HA H -16.794 9.185 -5.585 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 1 . 1065 . 13 5 3 LYS HB2 H -19.152 9.983 -6.449 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1066 . 13 5 3 LYS HB3 H -19.532 9.832 -4.724 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1067 . 13 5 3 LYS HD2 H -19.664 12.578 -5.492 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 1068 . 13 5 3 LYS HD3 H -19.229 12.246 -3.834 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 1069 . 13 5 3 LYS HE2 H -17.393 13.984 -5.344 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 1070 . 13 5 3 LYS HE3 H -18.986 14.487 -4.332 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 1 . 1071 . 13 5 3 LYS HG2 H -17.269 11.079 -4.373 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 1072 . 13 5 3 LYS HG3 H -17.395 11.492 -6.077 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 1073 . 13 5 3 LYS HZ1 H -16.401 13.860 -3.173 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 1 . 1074 . 13 5 3 LYS HZ2 H -17.801 14.168 -2.445 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 1 . 1075 . 13 5 3 LYS HZ3 H -17.145 15.362 -3.449 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 1 . 1076 . 13 5 3 LYS N N -17.992 7.862 -6.445 . . . 1.0 . . . . . . . . . . . . G . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 1 . 1077 . 13 5 3 LYS NZ N -17.294 14.360 -3.297 . . . 1.0 . . . . . . . . . . . . G . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 1 . 1078 . 13 5 3 LYS O O -17.053 6.920 -3.904 . . . 1.0 . . . . . . . . . . . . G . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 1 . 1079 . 13 5 4 DAL C C -18.155 10.330 -0.914 . . . 1.0 . . . . . . . . . . . . G . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 1080 . 13 5 4 DAL CA C -17.972 8.733 -1.386 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1081 . 13 5 4 DAL CB C -18.705 7.361 -0.762 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1082 . 13 5 4 DAL H H -18.088 9.858 -3.294 . . . 1.0 . . . . . . . . . . . . G . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 1083 . 13 5 4 DAL HA H -17.147 8.281 -0.835 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1084 . 13 5 4 DAL HB1 H -19.783 7.425 -0.896 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1085 . 13 5 4 DAL HB2 H -18.507 7.261 0.313 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1086 . 13 5 4 DAL HB3 H -18.357 6.417 -1.297 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1087 . 13 5 4 DAL N N -17.899 8.957 -2.971 . . . 1.0 . . . . . . . . . . . . G . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 1088 . 13 5 4 DAL O O -19.031 11.055 -1.338 . . . 1.0 . . . . . . . . . . . . G . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 1 . 1089 . 13 5 5 DAL C C -17.045 13.256 -0.568 . . . 1.0 . . . . . . . . . . . . G . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 1090 . 13 5 5 DAL CA C -17.056 12.170 0.641 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1091 . 13 5 5 DAL CB C -18.359 12.153 1.540 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1092 . 13 5 5 DAL H H -16.408 10.105 0.062 . . . 1.0 . . . . . . . . . . . . G . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 1093 . 13 5 5 DAL HA H -16.181 12.405 1.247 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1094 . 13 5 5 DAL HB1 H -19.105 11.776 0.908 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1095 . 13 5 5 DAL HB2 H -18.574 13.168 1.807 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1096 . 13 5 5 DAL HB3 H -18.300 11.530 2.470 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1097 . 13 5 5 DAL N N -17.168 10.763 -0.048 . . . 1.0 . . . . . . . . . . . . G . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 1098 . 14 3 1 . C1 C -11.735 4.690 -3.444 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1099 . 14 3 1 . C10 C -13.987 0.752 -4.992 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 1 . 1100 . 14 3 1 . C11 C -11.527 0.282 -3.964 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 1 . 1101 . 14 3 1 . C2 C -11.276 3.376 -4.076 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1102 . 14 3 1 . C3 C -11.811 3.304 -5.500 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1103 . 14 3 1 . C4 C -13.140 4.033 -5.592 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1104 . 14 3 1 . C5 C -12.892 5.526 -5.379 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1105 . 14 3 1 . C6 C -14.139 6.227 -4.873 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 1 . 1106 . 14 3 1 . C7 C -9.096 3.620 -5.080 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 1 . 1107 . 14 3 1 . C8 C -7.618 3.451 -5.034 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 1 . 1108 . 14 3 1 . C9 C -12.481 1.069 -4.933 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 1 . 1109 . 14 3 1 . H1 H -12.748 4.576 -2.966 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1110 . 14 3 1 . H111 H -11.306 0.846 -3.030 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 1 . 1111 . 14 3 1 . H112 H -10.621 0.100 -4.449 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 1 . 1112 . 14 3 1 . H113 H -11.978 -0.691 -3.743 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 1 . 1113 . 14 3 1 . H2 H -11.633 2.623 -3.342 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1114 . 14 3 1 . H3 H -11.086 3.669 -6.221 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 1 . 1115 . 14 3 1 . H4A H -13.934 3.541 -5.058 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 1 . 1116 . 14 3 1 . H5 H -12.674 6.037 -6.265 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 1 . 1117 . 14 3 1 . H61 H -14.865 6.215 -5.720 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 1 . 1118 . 14 3 1 . H62 H -13.992 7.315 -4.575 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 1 . 1119 . 14 3 1 . H81 H -7.182 3.973 -5.880 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 1 . 1120 . 14 3 1 . H82 H -7.371 2.412 -5.096 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 1 . 1121 . 14 3 1 . H83 H -7.249 3.850 -4.092 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 1 . 1122 . 14 3 1 . H9 H -12.852 1.934 -4.331 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 1 . 1123 . 14 3 1 . HN2 H -9.373 2.809 -3.253 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 1124 . 14 3 1 . HO6 H -15.656 5.801 -3.670 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 1125 . 14 3 1 . N2 N -9.826 3.228 -4.047 . . . 1.0 . . . . . . . . . . . . G . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 1 . 1126 . 14 3 1 . O1 O -10.852 5.072 -2.451 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 1 . 1127 . 14 3 1 . O10 O -14.407 -0.237 -4.433 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 1 . 1128 . 14 3 1 . O3 O -11.912 1.935 -5.938 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 1 . 1129 . 14 3 1 . O4 O -13.745 3.774 -6.893 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 1 . 1130 . 14 3 1 . O5 O -11.822 5.744 -4.422 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 1 . 1131 . 14 3 1 . O6 O -14.784 5.463 -3.872 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 1 . 1132 . 14 3 1 . O7 O -9.609 4.155 -6.057 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 1 . 1133 . 15 5 1 ALA C C 16.488 7.162 7.832 . . . 1.0 . . . . . . . . . . . . H . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 1 . 1134 . 15 5 1 ALA CA C 15.399 6.505 8.731 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 1 . 1135 . 15 5 1 ALA CB C 15.388 5.025 8.494 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 1 . 1136 . 15 5 1 ALA H1 H 14.034 7.868 7.775 . . . 1.0 . . . . . . . . . . . . H . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1137 . 15 5 1 ALA HA H 15.634 6.667 9.783 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 1 . 1138 . 15 5 1 ALA HB1 H 14.612 4.586 9.108 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1139 . 15 5 1 ALA HB2 H 16.357 4.602 8.750 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1140 . 15 5 1 ALA HB3 H 15.175 4.856 7.462 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1141 . 15 5 1 ALA N N 14.067 7.070 8.402 . . . 1.0 . . . . . . . . . . . . H . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 1 . 1142 . 15 5 1 ALA O O 16.231 7.759 6.782 . . . 1.0 . . . . . . . . . . . . H . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 1 . 1143 . 15 5 2 . C C 18.728 7.615 6.062 . . . 1.0 . . . . . . . . . . . . H . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 1 . 1144 . 15 5 2 . CA C 18.902 7.779 7.645 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1145 . 15 5 2 . CB C 18.910 9.288 7.728 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1146 . 15 5 2 . CD C 17.453 10.915 6.317 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 1 . 1147 . 15 5 2 . CG C 17.506 10.040 7.584 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 1 . 1148 . 15 5 2 . H H 17.865 6.762 9.314 . . . 1.0 . . . . . . . . . . . . H . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 1 . 1149 . 15 5 2 . HA H 19.761 7.242 8.047 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1150 . 15 5 2 . HB2 H 19.598 9.597 6.997 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1151 . 15 5 2 . HB3 H 19.331 9.514 8.731 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1152 . 15 5 2 . HG2 H 17.379 10.692 8.434 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 1153 . 15 5 2 . HG3 H 16.667 9.326 7.560 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 1154 . 15 5 2 . N N 17.695 7.256 8.441 . . . 1.0 . . . . . . . . . . . . H . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 1 . 1155 . 15 5 2 . O O 18.325 6.437 5.680 . . . 1.0 . . . . . . . . . . . . H . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 1 . 1156 . 15 5 2 . OE1 O 17.823 12.088 6.356 . . . 1.0 . . . . . . . . . . . . H . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 1 . 1157 . 15 5 3 LYS C C 18.210 11.392 3.273 . . . 1.0 . . . . . . . . . . . . H . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 1 . 1158 . 15 5 3 LYS CA C 16.867 11.038 3.959 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 1 . 1159 . 15 5 3 LYS CB C 15.817 12.148 4.081 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 1 . 1160 . 15 5 3 LYS CD C 15.373 12.252 1.474 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 1 . 1161 . 15 5 3 LYS CE C 15.993 11.006 0.688 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 1 . 1162 . 15 5 3 LYS CG C 14.807 12.010 2.912 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 1 . 1163 . 15 5 3 LYS H H 16.725 9.423 5.261 . . . 1.0 . . . . . . . . . . . . H . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 1 . 1164 . 15 5 3 LYS HA H 16.430 10.308 3.318 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 1 . 1165 . 15 5 3 LYS HB2 H 15.277 12.021 5.025 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1166 . 15 5 3 LYS HB3 H 16.269 13.126 4.056 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1167 . 15 5 3 LYS HD2 H 14.663 12.828 0.902 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 1 . 1168 . 15 5 3 LYS HD3 H 16.237 12.864 1.657 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 1 . 1169 . 15 5 3 LYS HE2 H 16.670 11.461 -0.034 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 1 . 1170 . 15 5 3 LYS HE3 H 16.263 10.414 1.562 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 1 . 1171 . 15 5 3 LYS HG2 H 14.383 11.029 2.958 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 1 . 1172 . 15 5 3 LYS HG3 H 14.005 12.740 3.095 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 1 . 1173 . 15 5 3 LYS HZ1 H 15.063 10.151 -1.065 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 1 . 1174 . 15 5 3 LYS HZ2 H 14.415 9.537 0.384 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 1 . 1175 . 15 5 3 LYS HZ3 H 15.979 9.106 -0.087 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 1 . 1176 . 15 5 3 LYS N N 17.003 10.348 5.223 . . . 1.0 . . . . . . . . . . . . H . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 1 . 1177 . 15 5 3 LYS NZ N 15.311 9.883 -0.101 . . . 1.0 . . . . . . . . . . . . H . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 1 . 1178 . 15 5 3 LYS O O 18.424 12.527 2.772 . . . 1.0 . . . . . . . . . . . . H . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 1 . 1179 . 15 5 4 DAL C C 20.179 9.419 1.373 . . . 1.0 . . . . . . . . . . . . H . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 1180 . 15 5 4 DAL CA C 20.578 10.114 2.844 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1181 . 15 5 4 DAL CB C 21.785 11.226 3.189 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1182 . 15 5 4 DAL H H 18.755 9.622 4.006 . . . 1.0 . . . . . . . . . . . . H . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 1183 . 15 5 4 DAL HA H 21.307 9.486 3.356 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1184 . 15 5 4 DAL HB1 H 21.941 11.278 4.264 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1185 . 15 5 4 DAL HB2 H 21.508 12.230 2.842 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1186 . 15 5 4 DAL HB3 H 22.780 10.926 2.721 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1187 . 15 5 4 DAL N N 19.099 10.325 3.425 . . . 1.0 . . . . . . . . . . . . H . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 1188 . 15 5 4 DAL O O 20.341 9.976 0.306 . . . 1.0 . . . . . . . . . . . . H . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 1 . 1189 . 15 5 5 DAL C C 17.934 7.986 -0.452 . . . 1.0 . . . . . . . . . . . . H . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 1 . 1190 . 15 5 5 DAL CA C 19.134 7.220 0.330 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 1 . 1191 . 15 5 5 DAL CB C 20.491 7.083 -0.474 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 1 . 1192 . 15 5 5 DAL H H 19.341 7.935 2.445 . . . 1.0 . . . . . . . . . . . . H . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 1 . 1193 . 15 5 5 DAL HA H 18.735 6.236 0.577 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 1 . 1194 . 15 5 5 DAL HB1 H 20.846 8.068 -0.547 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 1 . 1195 . 15 5 5 DAL HB2 H 20.253 6.698 -1.442 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 1 . 1196 . 15 5 5 DAL HB3 H 21.274 6.437 0.003 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 1 . 1197 . 15 5 5 DAL N N 19.582 8.178 1.493 . . . 1.0 . . . . . . . . . . . . H . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 1 . 1198 . 16 4 1 . C1 C -12.823 3.749 -7.994 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1199 . 16 4 1 . C2 C -13.581 3.624 -9.291 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1200 . 16 4 1 . C3 C -12.616 3.571 -10.447 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1201 . 16 4 1 . C4 C -11.631 4.750 -10.371 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1202 . 16 4 1 . C5 C -10.984 4.841 -8.986 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1203 . 16 4 1 . C6 C -10.070 6.053 -8.845 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 1 . 1204 . 16 4 1 . C7 C -13.952 1.230 -9.072 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 1 . 1205 . 16 4 1 . C8 C -14.925 0.069 -9.046 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 1 . 1206 . 16 4 1 . H1 H -12.217 2.829 -7.793 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1207 . 16 4 1 . H2 H -14.379 4.314 -9.497 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1208 . 16 4 1 . H3 H -12.008 2.644 -10.446 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 1 . 1209 . 16 4 1 . H4 H -12.207 5.620 -10.785 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 1 . 1210 . 16 4 1 . H5 H -10.330 3.995 -8.781 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 1 . 1211 . 16 4 1 . H61 H -9.369 6.113 -9.683 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 1 . 1212 . 16 4 1 . H62 H -9.458 5.913 -7.945 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 1 . 1213 . 16 4 1 . H81 H -15.627 0.220 -8.234 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 1 . 1214 . 16 4 1 . H82 H -14.392 -0.852 -8.888 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 1 . 1215 . 16 4 1 . H83 H -15.451 0.019 -9.997 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 1 . 1216 . 16 4 1 . HN2 H -15.405 2.597 -9.269 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 1217 . 16 4 1 . HO3 H -14.021 4.289 -11.552 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 1 . 1218 . 16 4 1 . HO4 H -11.004 4.258 -12.175 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 1 . 1219 . 16 4 1 . HO6 H -11.665 7.049 -8.473 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 1220 . 16 4 1 . N2 N -14.440 2.455 -9.269 . . . 1.0 . . . . . . . . . . . . G . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 1 . 1221 . 16 4 1 . O3 O -13.354 3.634 -11.655 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 1 . 1222 . 16 4 1 . O4 O -10.616 4.571 -11.349 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 1 . 1223 . 16 4 1 . O5 O -11.999 4.914 -7.980 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 1 . 1224 . 16 4 1 . O6 O -10.803 7.268 -8.860 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 1 . 1225 . 16 4 1 . O7 O -12.746 0.996 -9.055 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 1 . 1226 . 17 6 1 . O1P O -10.213 -8.238 7.857 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1227 . 17 6 1 . O2P O -7.958 -7.815 6.776 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1228 . 17 6 1 . O3P O -9.807 -6.157 6.565 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1229 . 17 6 1 . P P -9.441 -7.703 6.712 . . . 1.0 . . . . . . . . . . . . A . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1230 . 18 3 1 . C1 C 11.169 7.627 4.483 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1231 . 18 3 1 . C10 C 12.914 6.621 8.980 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 1 . 1232 . 18 3 1 . C11 C 10.235 6.457 8.632 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 1 . 1233 . 18 3 1 . C2 C 10.691 7.794 5.933 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1234 . 18 3 1 . C3 C 11.631 8.777 6.650 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1235 . 18 3 1 . C4 C 13.040 8.603 6.106 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1236 . 18 3 1 . C5 C 13.047 9.114 4.664 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1237 . 18 3 1 . C6 C 14.148 8.426 3.873 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 1 . 1238 . 18 3 1 . C7 C 9.060 9.540 6.091 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 1 . 1239 . 18 3 1 . C8 C 7.654 9.987 6.197 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 1 . 1240 . 18 3 1 . C9 C 11.588 7.242 8.497 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 1 . 1241 . 18 3 1 . H1 H 11.925 6.817 4.388 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1242 . 18 3 1 . H111 H 9.639 6.775 9.517 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 1 . 1243 . 18 3 1 . H112 H 10.440 5.440 8.733 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 1 . 1244 . 18 3 1 . H113 H 9.666 6.583 7.705 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 1 . 1245 . 18 3 1 . H2 H 10.651 6.752 6.304 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1246 . 18 3 1 . H3 H 11.279 9.809 6.560 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 1 . 1247 . 18 3 1 . H4A H 13.499 7.664 6.336 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 1 . 1248 . 18 3 1 . H5 H 13.252 10.149 4.583 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 1 . 1249 . 18 3 1 . H61 H 14.932 9.189 3.681 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 1 . 1250 . 18 3 1 . H62 H 13.827 8.019 2.863 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 1 . 1251 . 18 3 1 . H81 H 7.217 9.547 7.086 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 1 . 1252 . 18 3 1 . H82 H 7.110 9.660 5.340 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 1 . 1253 . 18 3 1 . H83 H 7.636 11.073 6.241 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 1 . 1254 . 18 3 1 . H9 H 12.007 6.926 7.514 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 1 . 1255 . 18 3 1 . HN2 H 8.576 7.591 6.204 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 1256 . 18 3 1 . HO6 H 15.264 7.825 5.435 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 1257 . 18 3 1 . N2 N 9.310 8.247 6.012 . . . 1.0 . . . . . . . . . . . . H . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 1 . 1258 . 18 3 1 . O1 O 10.136 7.259 3.624 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 1 . 1259 . 18 3 1 . O10 O 12.908 5.840 9.910 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 1 . 1260 . 18 3 1 . O3 O 11.562 8.624 8.082 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 1 . 1261 . 18 3 1 . O4 O 13.961 9.353 6.955 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 1 . 1262 . 18 3 1 . O5 O 11.782 8.839 4.002 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 1 . 1263 . 18 3 1 . O6 O 14.822 7.465 4.668 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 1 . 1264 . 18 3 1 . O7 O 9.932 10.371 5.841 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 1 . 1265 . 19 6 1 . O1P O -9.537 -3.912 5.504 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1266 . 19 6 1 . O2P O -7.853 -5.785 5.055 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1267 . 19 6 1 . O3P O -10.149 -5.884 4.101 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1268 . 19 6 1 . P P -9.247 -5.349 5.302 . . . 1.0 . . . . . . . . . . . . A . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1269 . 20 4 1 . C1 C 13.537 10.682 7.287 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1270 . 20 4 1 . C2 C 14.641 11.398 8.039 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1271 . 20 4 1 . C3 C 14.213 12.798 8.393 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1272 . 20 4 1 . C4 C 13.680 13.522 7.142 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1273 . 20 4 1 . C5 C 12.624 12.682 6.413 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1274 . 20 4 1 . C6 C 12.160 13.334 5.118 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 1 . 1275 . 20 4 1 . C7 C 14.140 10.337 10.178 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 1 . 1276 . 20 4 1 . C8 C 14.629 9.536 11.370 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 1 . 1277 . 20 4 1 . H1 H 12.652 10.510 7.949 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 1 . 1278 . 20 4 1 . H2 H 15.627 11.391 7.594 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1279 . 20 4 1 . H3 H 13.407 12.814 9.154 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 1 . 1280 . 20 4 1 . H4 H 14.615 13.839 6.607 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 1 . 1281 . 20 4 1 . H5 H 11.711 12.570 6.997 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 1 . 1282 . 20 4 1 . H61 H 13.008 13.686 4.528 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 1 . 1283 . 20 4 1 . H62 H 11.571 14.219 5.390 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 1 . 1284 . 20 4 1 . H81 H 13.798 9.372 12.046 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 1 . 1285 . 20 4 1 . H82 H 15.403 10.077 11.884 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 1 . 1286 . 20 4 1 . H83 H 15.028 8.584 11.025 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 1 . 1287 . 20 4 1 . HN2 H 15.917 10.263 9.248 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 1 . 1288 . 20 4 1 . HO3 H 16.040 13.422 8.298 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 1 . 1289 . 20 4 1 . HO4 H 13.647 15.166 8.222 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 1 . 1290 . 20 4 1 . HO6 H 10.976 11.834 4.902 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 1 . 1291 . 20 4 1 . N2 N 15.023 10.648 9.224 . . . 1.0 . . . . . . . . . . . . H . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 1 . 1292 . 20 4 1 . O3 O 15.332 13.492 8.914 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 1 . 1293 . 20 4 1 . O4 O 13.104 14.761 7.533 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 1 . 1294 . 20 4 1 . O5 O 13.164 11.390 6.103 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 1 . 1295 . 20 4 1 . O6 O 11.456 12.417 4.295 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 1 . 1296 . 20 4 1 . O7 O 12.998 10.790 10.193 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 1 . 1297 . 21 2 1 . C1 C -9.533 -6.337 2.899 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1298 . 21 2 1 . C2 C -10.012 -5.473 1.747 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1299 . 21 2 1 . C3 C -11.270 -5.344 1.359 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1300 . 21 2 1 . C4 C -11.626 -4.436 0.199 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1301 . 21 2 1 . C5 C -12.434 -6.055 2.039 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1302 . 21 2 1 . H11 H -8.461 -6.259 3.009 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1303 . 21 2 1 . H12 H -9.804 -7.369 2.718 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1304 . 21 2 1 . H2 H -9.324 -4.710 1.448 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1305 . 21 2 1 . H42 H -10.989 -3.576 0.238 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1306 . 21 2 1 . H43 H -12.657 -4.123 0.284 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1307 . 21 2 1 . H51 H -13.362 -5.731 1.595 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1308 . 21 2 1 . H52 H -12.438 -5.812 3.087 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1309 . 21 2 1 . H53 H -12.322 -7.125 1.916 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1310 . 22 2 1 . C1 C -11.428 -5.106 -1.158 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1311 . 22 2 1 . C2 C -12.745 -5.220 -1.865 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1312 . 22 2 1 . C3 C -12.896 -4.962 -3.163 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1313 . 22 2 1 . C4 C -14.224 -5.042 -3.881 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1314 . 22 2 1 . C5 C -11.729 -4.594 -4.085 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1315 . 22 2 1 . H11 H -11.010 -6.094 -1.010 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1316 . 22 2 1 . H12 H -10.743 -4.515 -1.743 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1317 . 22 2 1 . H2 H -13.603 -5.216 -1.217 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1318 . 22 2 1 . H42 H -14.906 -5.657 -3.313 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1319 . 22 2 1 . H43 H -14.073 -5.483 -4.859 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1320 . 22 2 1 . H51 H -12.094 -4.520 -5.097 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1321 . 22 2 1 . H52 H -10.972 -5.364 -4.031 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1322 . 22 2 1 . H53 H -11.300 -3.651 -3.786 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1323 . 23 2 1 . C1 C 8.668 -10.999 -6.996 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1324 . 23 2 1 . C2 C 10.164 -11.234 -7.041 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1325 . 23 2 1 . C3 C 10.903 -11.617 -5.977 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1326 . 23 2 1 . C4 C 12.409 -11.841 -6.025 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1327 . 23 2 1 . C5 C 10.297 -11.890 -4.600 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1328 . 23 2 1 . H11 H 8.218 -11.320 -7.931 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1329 . 23 2 1 . H12 H 8.236 -11.562 -6.183 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1330 . 23 2 1 . H2 H 10.647 -10.795 -7.896 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1331 . 23 2 1 . H42 H 12.846 -11.229 -6.802 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1332 . 23 2 1 . H43 H 12.601 -12.883 -6.244 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1333 . 23 2 1 . H51 H 9.293 -12.261 -4.732 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1334 . 23 2 1 . H52 H 10.270 -10.973 -4.027 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1335 . 23 2 1 . H53 H 10.888 -12.624 -4.075 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1336 . 24 2 1 . C1 C -14.846 -3.652 -4.062 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1337 . 24 2 1 . C2 C -15.765 -3.317 -2.923 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1338 . 24 2 1 . C3 C -17.039 -2.905 -3.045 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1339 . 24 2 1 . C4 C -17.931 -2.595 -1.832 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1340 . 24 2 1 . C5 C -17.733 -2.698 -4.390 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1341 . 24 2 1 . H11 H -15.411 -3.635 -4.981 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1342 . 24 2 1 . H12 H -14.056 -2.921 -4.113 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1343 . 24 2 1 . H2 H -15.320 -3.419 -1.951 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1344 . 24 2 1 . H41 H -17.782 -1.568 -1.524 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 1 . 1345 . 24 2 1 . H42 H -17.668 -3.252 -1.017 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1346 . 24 2 1 . H43 H -18.970 -2.749 -2.094 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1347 . 24 2 1 . H51 H -17.209 -1.934 -4.945 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1348 . 24 2 1 . H52 H -18.748 -2.383 -4.213 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1349 . 24 2 1 . H53 H -17.735 -3.621 -4.960 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1350 . 25 2 1 . C1 C 13.084 -11.497 -4.688 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1351 . 25 2 1 . C2 C 14.151 -12.497 -4.356 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1352 . 25 2 1 . C3 C 15.244 -12.245 -3.620 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1353 . 25 2 1 . C4 C 16.293 -13.323 -3.310 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1354 . 25 2 1 . C5 C 15.561 -10.874 -3.019 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1355 . 25 2 1 . H11 H 12.345 -11.498 -3.903 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1356 . 25 2 1 . H12 H 13.526 -10.514 -4.762 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1357 . 25 2 1 . H2 H 14.051 -13.436 -4.866 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1358 . 25 2 1 . H41 H 15.840 -14.303 -3.388 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 1 . 1359 . 25 2 1 . H42 H 16.668 -13.183 -2.307 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1360 . 25 2 1 . H43 H 17.113 -13.246 -4.013 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1361 . 25 2 1 . H51 H 16.557 -10.891 -2.603 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1362 . 25 2 1 . H52 H 14.849 -10.661 -2.238 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1363 . 25 2 1 . H53 H 15.502 -10.105 -3.781 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1364 . 26 6 1 . O1P O 11.091 -3.638 -3.788 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1365 . 26 6 1 . O2P O 9.451 -5.564 -4.055 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1366 . 26 6 1 . O3P O 11.130 -5.571 -2.220 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1367 . 26 6 1 . P P 10.821 -5.093 -3.712 . . . 1.0 . . . . . . . . . . . . B . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1368 . 27 6 1 . O1P O 10.736 -6.790 -0.081 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1369 . 27 6 1 . O2P O 8.773 -5.831 -1.452 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1370 . 27 6 1 . O3P O 10.044 -7.773 -2.399 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1371 . 27 6 1 . P P 10.096 -6.486 -1.424 . . . 1.0 . . . . . . . . . . . . B . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1372 . 28 2 1 . C1 C 8.855 -8.280 -3.022 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1373 . 28 2 1 . C2 C 9.041 -8.521 -4.516 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1374 . 28 2 1 . C3 C 8.173 -9.240 -5.289 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1375 . 28 2 1 . C4 C 8.384 -9.503 -6.769 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1376 . 28 2 1 . C5 C 6.877 -9.868 -4.764 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1377 . 28 2 1 . H11 H 8.605 -9.219 -2.540 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1378 . 28 2 1 . H12 H 8.054 -7.580 -2.863 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1379 . 28 2 1 . H2 H 9.711 -7.828 -4.995 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1380 . 28 2 1 . H42 H 9.214 -8.925 -7.133 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1381 . 28 2 1 . H43 H 7.486 -9.233 -7.318 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1382 . 28 2 1 . H51 H 7.079 -10.866 -4.407 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1383 . 28 2 1 . H52 H 6.158 -9.921 -5.570 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1384 . 28 2 1 . H53 H 6.475 -9.263 -3.961 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1385 . 29 6 1 . O1P O -12.398 5.664 -0.526 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1386 . 29 6 1 . O2P O -10.070 6.671 -0.624 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1387 . 29 6 1 . O3P O -11.808 7.385 -2.226 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1388 . 29 6 1 . P P -11.273 6.178 -1.340 . . . 1.0 . . . . . . . . . . . . E . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1389 . 30 6 1 . O1P O -11.716 9.654 -3.251 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1390 . 30 6 1 . O2P O -9.974 8.915 -1.511 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1391 . 30 6 1 . O3P O -9.935 7.860 -3.763 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1392 . 30 6 1 . P P -10.839 8.576 -2.653 . . . 1.0 . . . . . . . . . . . . E . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1393 . 31 2 1 . C1 C -9.864 8.347 -5.095 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1394 . 31 2 1 . C2 C -9.006 9.591 -5.163 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1395 . 31 2 1 . C3 C -8.833 10.294 -6.282 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1396 . 31 2 1 . C4 C -7.983 11.549 -6.350 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1397 . 31 2 1 . C5 C -9.464 9.882 -7.600 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1398 . 31 2 1 . H11 H -9.448 7.576 -5.723 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1399 . 31 2 1 . H12 H -10.860 8.579 -5.432 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1400 . 31 2 1 . H2 H -8.835 10.069 -4.222 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1401 . 31 2 1 . H42 H -7.856 11.953 -5.357 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1402 . 31 2 1 . H43 H -8.479 12.286 -6.974 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1403 . 31 2 1 . H51 H -9.283 8.831 -7.768 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1404 . 31 2 1 . H52 H -9.019 10.451 -8.398 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1405 . 31 2 1 . H53 H -10.529 10.069 -7.564 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1406 . 32 6 1 . O1P O 10.238 4.837 4.303 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1407 . 32 6 1 . O2P O 8.058 6.130 4.612 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1408 . 32 6 1 . O3P O 8.826 5.438 2.335 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1409 . 32 6 1 . P P 9.310 5.868 3.819 . . . 1.0 . . . . . . . . . . . . F . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1410 . 33 6 1 . O1P O 10.656 4.145 1.307 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 1 . 1411 . 33 6 1 . O2P O 8.994 5.354 -0.213 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 1 . 1412 . 33 6 1 . O3P O 10.751 6.575 1.147 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 1 . 1413 . 33 6 1 . P P 9.803 5.306 1.064 . . . 1.0 . . . . . . . . . . . . F . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 1 . 1414 . 34 2 1 . C1 C 11.652 6.801 0.062 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1415 . 34 2 1 . C2 C 10.864 7.447 -1.068 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1416 . 34 2 1 . C3 C 11.261 7.684 -2.321 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1417 . 34 2 1 . C4 C 10.284 8.346 -3.258 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1418 . 34 2 1 . C5 C 12.623 7.303 -2.942 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1419 . 34 2 1 . H11 H 12.444 7.448 0.399 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1420 . 34 2 1 . H12 H 12.062 5.851 -0.267 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1421 . 34 2 1 . H2 H 9.805 7.437 -0.909 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1422 . 34 2 1 . H42 H 9.310 8.358 -2.788 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1423 . 34 2 1 . H43 H 10.228 7.775 -4.174 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1424 . 34 2 1 . H51 H 12.473 6.602 -3.756 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1425 . 34 2 1 . H52 H 13.235 6.833 -2.185 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1426 . 34 2 1 . H53 H 13.126 8.187 -3.310 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1427 . 35 2 1 . C1 C -6.599 11.248 -6.959 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1428 . 35 2 1 . C2 C -6.014 12.484 -7.606 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1429 . 35 2 1 . C3 C -4.726 12.584 -7.994 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1430 . 35 2 1 . C4 C -4.143 13.829 -8.629 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1431 . 35 2 1 . C5 C -3.716 11.443 -7.858 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1432 . 35 2 1 . H11 H -6.692 10.464 -7.702 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1433 . 35 2 1 . H12 H -5.947 10.910 -6.171 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1434 . 35 2 1 . H2 H -6.590 13.379 -7.449 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1435 . 35 2 1 . H42 H -4.868 14.262 -9.302 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1436 . 35 2 1 . H43 H -3.253 13.562 -9.183 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1437 . 35 2 1 . H51 H -2.719 11.852 -7.908 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1438 . 35 2 1 . H52 H -3.857 10.739 -8.666 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1439 . 35 2 1 . H53 H -3.853 10.938 -6.914 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 1 . 1440 . 36 2 1 . C1 C 10.674 9.791 -3.591 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 1 . 1441 . 36 2 1 . C2 C 9.781 10.353 -4.666 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 1 . 1442 . 36 2 1 . C3 C 10.053 10.266 -5.979 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 1 . 1443 . 36 2 1 . C4 C 9.161 10.847 -7.057 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 1 . 1444 . 36 2 1 . C5 C 11.297 9.571 -6.528 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 1 . 1445 . 36 2 1 . H11 H 11.698 9.811 -3.942 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 1 . 1446 . 36 2 1 . H12 H 10.596 10.381 -2.693 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 1 . 1447 . 36 2 1 . H2 H 9.038 11.052 -4.315 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 1 . 1448 . 36 2 1 . H42 H 8.143 10.507 -6.919 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 1 . 1449 . 36 2 1 . H43 H 9.519 10.525 -8.027 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 1 . 1450 . 36 2 1 . H51 H 11.138 9.356 -7.572 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 1 . 1451 . 36 2 1 . H52 H 11.464 8.649 -5.990 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 1 . 1452 . 36 2 1 . H53 H 12.156 10.213 -6.418 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 1453 . 1 1 1 . C C 8.037 -14.490 0.198 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 2 . 1454 . 1 1 1 . C10 C 8.697 -16.358 2.459 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 2 . 1455 . 1 1 1 . CA C 8.694 -15.861 0.045 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1456 . 1 1 1 . CB C 10.223 -15.700 0.038 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1457 . 1 1 1 . CD1 C 10.257 -16.012 -2.464 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1458 . 1 1 1 . CD2 C 11.883 -14.562 -1.484 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1459 . 1 1 1 . CE1 C 10.781 -15.753 -3.719 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1460 . 1 1 1 . CE2 C 12.408 -14.299 -2.738 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1461 . 1 1 1 . CG C 10.794 -15.413 -1.332 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 2 . 1462 . 1 1 1 . CZ C 11.864 -14.905 -3.855 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1463 . 1 1 1 . H H 8.651 -17.748 0.955 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 2 . 1464 . 1 1 1 . H11 H 8.295 -15.373 2.658 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 2 . 1465 . 1 1 1 . H12 H 9.776 -16.318 2.487 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 2 . 1466 . 1 1 1 . H13 H 8.344 -17.049 3.212 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 2 . 1467 . 1 1 1 . HA H 8.391 -16.279 -0.905 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1468 . 1 1 1 . HB2 H 10.492 -14.882 0.691 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1469 . 1 1 1 . HB3 H 10.675 -16.609 0.405 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1470 . 1 1 1 . HD1 H 9.409 -16.677 -2.360 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1471 . 1 1 1 . HD2 H 12.312 -14.086 -0.612 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1472 . 1 1 1 . HE1 H 10.352 -16.226 -4.594 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1473 . 1 1 1 . HE2 H 13.254 -13.633 -2.843 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1474 . 1 1 1 . HN2 H 7.204 -16.883 1.102 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 1475 . 1 1 1 . HZ H 12.276 -14.704 -4.836 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 2 . 1476 . 1 1 1 . N N 8.251 -16.808 1.126 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 2 . 1477 . 1 1 1 . O O 8.634 -13.555 0.733 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 2 . 1478 . 1 1 2 ILE C C 5.199 -13.113 1.072 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1479 . 1 1 2 ILE CA C 6.075 -13.125 -0.179 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1480 . 1 1 2 ILE CB C 5.204 -12.902 -1.458 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1481 . 1 1 2 ILE CD1 C 6.051 -10.568 -2.081 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1482 . 1 1 2 ILE CG1 C 4.877 -11.415 -1.653 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1483 . 1 1 2 ILE CG2 C 3.926 -13.737 -1.398 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1484 . 1 1 2 ILE H H 6.346 -15.167 -0.616 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1485 . 1 1 2 ILE HA H 6.799 -12.322 -0.113 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1486 . 1 1 2 ILE HB H 5.775 -13.244 -2.311 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1487 . 1 1 2 ILE HD11 H 6.148 -9.727 -1.413 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1488 . 1 1 2 ILE HD12 H 5.894 -10.219 -3.090 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1489 . 1 1 2 ILE HD13 H 6.951 -11.165 -2.043 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1490 . 1 1 2 ILE HG12 H 4.113 -11.317 -2.408 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1491 . 1 1 2 ILE HG13 H 4.504 -11.011 -0.724 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1492 . 1 1 2 ILE HG21 H 3.315 -13.538 -2.268 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1493 . 1 1 2 ILE HG22 H 3.371 -13.487 -0.505 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1494 . 1 1 2 ILE HG23 H 4.185 -14.786 -1.375 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1495 . 1 1 2 ILE N N 6.799 -14.380 -0.254 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1496 . 1 1 2 ILE O O 4.771 -14.169 1.548 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1497 . 1 1 3 SER C C 3.518 -10.375 2.797 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1498 . 1 1 3 SER CA C 4.121 -11.770 2.791 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1499 . 1 1 3 SER CB C 4.817 -12.059 4.129 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1500 . 1 1 3 SER H H 5.450 -11.138 1.266 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1501 . 1 1 3 SER HA H 3.310 -12.475 2.670 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1502 . 1 1 3 SER HB2 H 5.644 -11.370 4.246 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1503 . 1 1 3 SER HB3 H 4.119 -11.906 4.937 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1504 . 1 1 3 SER HG H 5.223 -13.825 3.372 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1505 . 1 1 3 SER N N 4.996 -11.927 1.636 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1506 . 1 1 3 SER O O 4.002 -9.460 2.119 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1507 . 1 1 3 SER OG O 5.332 -13.375 4.216 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1508 . 1 1 4 . C C 0.382 -9.052 3.107 . . . 1.0 . . . . . . . . . . . . A . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 2 . 1509 . 1 1 4 . CA C 1.775 -8.957 3.675 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 2 . 1510 . 1 1 4 . CB C 1.672 -8.547 5.125 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 2 . 1511 . 1 1 4 . CD C 3.278 -6.662 5.227 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 2 . 1512 . 1 1 4 . CG C 2.982 -8.071 5.685 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 2 . 1513 . 1 1 4 . CZ C 4.576 -4.765 6.070 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1514 . 1 1 4 . H H 2.179 -10.968 4.138 . . . 1.0 . . . . . . . . . . . . A . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 2 . 1515 . 1 1 4 . HA H 2.335 -8.214 3.132 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 2 . 1516 . 1 1 4 . HB2 H 1.342 -9.396 5.705 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1517 . 1 1 4 . HB3 H 0.947 -7.752 5.215 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1518 . 1 1 4 . HD2 H 2.381 -6.069 5.323 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1519 . 1 1 4 . HD3 H 3.587 -6.685 4.191 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 1520 . 1 1 4 . HE H 4.855 -6.668 6.592 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 2 . 1521 . 1 1 4 . HG2 H 3.769 -8.726 5.337 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1522 . 1 1 4 . HG3 H 2.936 -8.094 6.761 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 1523 . 1 1 4 . HH11 H 5.719 -3.287 6.924 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 2 . 1524 . 1 1 4 . HH12 H 6.062 -4.966 7.476 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 2 . 1525 . 1 1 4 . HH21 H 4.089 -2.907 5.339 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 2 . 1526 . 1 1 4 . HH22 H 3.202 -4.291 4.614 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 2 . 1527 . 1 1 4 . N N 2.472 -10.219 3.579 . . . 1.0 . . . . . . . . . . . . A . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 2 . 1528 . 1 1 4 . NE N 4.330 -6.065 6.024 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 2 . 1529 . 1 1 4 . NH1 N 5.522 -4.306 6.875 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 2 . 1530 . 1 1 4 . NH2 N 3.905 -3.927 5.290 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 2 . 1531 . 1 1 4 . O O -0.340 -10.008 3.397 . . . 1.0 . . . . . . . . . . . . A . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 2 . 1532 . 1 1 5 . C C -1.905 -6.664 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 28J C . . . . . . . . . c50202_6yfy 1 . 2 . 1533 . 1 1 5 . CA C -1.345 -8.079 1.753 . . . 1.0 . . . . . . . . . . . . A . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 2 . 1534 . 1 1 5 . CB C -1.428 -8.767 0.364 . . . 1.0 . . . . . . . . . . . . A . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 2 . 1535 . 1 1 5 . CD1 C -1.957 -10.982 -0.798 . . . 1.0 . . . . . . . . . . . . A . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1536 . 1 1 5 . CG1 C -1.644 -10.281 0.509 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1537 . 1 1 5 . CG2 C -0.139 -8.520 -0.403 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1538 . 1 1 5 . H21 H -1.962 -8.652 2.436 . . . 1.0 . . . . . . . . . . . . A . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 2 . 1539 . 1 1 5 . H22 H -2.247 -8.337 -0.192 . . . 1.0 . . . . . . . . . . . . A . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 2 . 1540 . 1 1 5 . H23 H -0.197 -9.014 -1.363 . . . 1.0 . . . . . . . . . . . . A . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 2 . 1541 . 1 1 5 . H24 H 0.696 -8.917 0.154 . . . 1.0 . . . . . . . . . . . . A . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 2 . 1542 . 1 1 5 . H25 H -0.004 -7.460 -0.553 . . . 1.0 . . . . . . . . . . . . A . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 2 . 1543 . 1 1 5 . H26 H -2.460 -10.462 1.191 . . . 1.0 . . . . . . . . . . . . A . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 2 . 1544 . 1 1 5 . H27 H -0.742 -10.724 0.909 . . . 1.0 . . . . . . . . . . . . A . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 2 . 1545 . 1 1 5 . H28 H -2.047 -12.044 -0.624 . . . 1.0 . . . . . . . . . . . . A . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 2 . 1546 . 1 1 5 . H29 H -1.160 -10.799 -1.504 . . . 1.0 . . . . . . . . . . . . A . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 2 . 1547 . 1 1 5 . H30 H -2.886 -10.602 -1.197 . . . 1.0 . . . . . . . . . . . . A . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 2 . 1548 . 1 1 5 . N N -0.004 -8.074 2.299 . . . 1.0 . . . . . . . . . . . . A . 5 28J N . . . . . . . . . c50202_6yfy 1 . 2 . 1549 . 1 1 5 . O O -1.284 -5.703 2.169 . . . 1.0 . . . . . . . . . . . . A . 5 28J O . . . . . . . . . c50202_6yfy 1 . 2 . 1550 . 1 1 6 ILE C C -5.267 -5.390 1.552 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1551 . 1 1 6 ILE CA C -3.825 -5.321 0.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1552 . 1 1 6 ILE CB C -3.814 -4.983 -0.516 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1553 . 1 1 6 ILE CD1 C -4.820 -3.499 -2.297 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1554 . 1 1 6 ILE CG1 C -4.650 -3.752 -0.846 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1555 . 1 1 6 ILE CG2 C -4.262 -6.181 -1.371 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1556 . 1 1 6 ILE H H -3.553 -7.404 0.864 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1557 . 1 1 6 ILE HA H -3.281 -4.553 1.524 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1558 . 1 1 6 ILE HB H -2.788 -4.780 -0.783 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1559 . 1 1 6 ILE HD11 H -3.855 -3.456 -2.777 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1560 . 1 1 6 ILE HD12 H -5.345 -2.566 -2.444 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1561 . 1 1 6 ILE HD13 H -5.400 -4.303 -2.728 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1562 . 1 1 6 ILE HG12 H -5.637 -3.887 -0.457 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1563 . 1 1 6 ILE HG13 H -4.198 -2.876 -0.406 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1564 . 1 1 6 ILE HG21 H -5.272 -6.462 -1.097 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1565 . 1 1 6 ILE HG22 H -3.604 -7.023 -1.202 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1566 . 1 1 6 ILE HG23 H -4.240 -5.917 -2.418 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1567 . 1 1 6 ILE N N -3.118 -6.579 1.171 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1568 . 1 1 6 ILE O O -5.943 -6.404 1.385 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1569 . 1 1 7 SER C C -7.557 -2.829 2.979 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1570 . 1 1 7 SER CA C -7.080 -4.268 2.814 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1571 . 1 1 7 SER CB C -7.221 -4.967 4.157 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1572 . 1 1 7 SER H H -5.075 -3.601 2.486 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1573 . 1 1 7 SER HA H -7.721 -4.757 2.105 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1574 . 1 1 7 SER HB2 H -8.204 -4.770 4.560 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1575 . 1 1 7 SER HB3 H -7.091 -6.032 4.030 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1576 . 1 1 7 SER HG H -5.716 -3.838 4.660 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1577 . 1 1 7 SER N N -5.700 -4.337 2.284 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1578 . 1 1 7 SER O O -6.753 -1.883 3.022 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1579 . 1 1 7 SER OG O -6.263 -4.504 5.079 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1580 . 1 1 8 DTH C C -10.798 -1.366 2.478 . . . 1.0 . . . . . . . . . . . . A . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 2 . 1581 . 1 1 8 DTH CA C -9.504 -1.365 3.278 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 2 . 1582 . 1 1 8 DTH CB C -9.871 -1.031 4.748 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 2 . 1583 . 1 1 8 DTH CG2 C -8.654 -1.195 5.632 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1584 . 1 1 8 DTH H H -9.449 -3.466 2.979 . . . 1.0 . . . . . . . . . . . . A . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 2 . 1585 . 1 1 8 DTH HA H -8.820 -0.616 2.915 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 2 . 1586 . 1 1 8 DTH HB H -10.231 0.008 4.810 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 2 . 1587 . 1 1 8 DTH HG21 H -7.872 -0.526 5.307 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1588 . 1 1 8 DTH HG22 H -8.300 -2.216 5.583 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1589 . 1 1 8 DTH HG23 H -8.924 -0.960 6.653 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1590 . 1 1 8 DTH N N -8.879 -2.679 3.091 . . . 1.0 . . . . . . . . . . . . A . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 2 . 1591 . 1 1 8 DTH O O -11.339 -0.324 2.115 . . . 1.0 . . . . . . . . . . . . A . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 2 . 1592 . 1 1 8 DTH OG1 O -10.940 -1.870 5.206 . . . 1.0 . . . . . . . . . . . . A . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1593 . 1 1 9 ALA C C -13.727 -2.496 2.431 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 1594 . 1 1 9 ALA CA C -12.550 -2.732 1.492 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 1595 . 1 1 9 ALA CB C -12.604 -4.113 0.901 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 1596 . 1 1 9 ALA H H -10.796 -3.364 2.461 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 2 . 1597 . 1 1 9 ALA HA H -12.579 -2.010 0.689 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 1598 . 1 1 9 ALA HB1 H -11.600 -4.479 0.773 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 1599 . 1 1 9 ALA HB2 H -13.106 -4.083 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1600 . 1 1 9 ALA HB3 H -13.137 -4.761 1.580 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1601 . 1 1 9 ALA N N -11.297 -2.568 2.206 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 1602 . 1 1 9 ALA O O -14.356 -1.441 2.385 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 1603 . 1 1 10 LEU C C -14.559 -2.753 5.540 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 2 . 1604 . 1 1 10 LEU CA C -15.120 -3.327 4.257 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 2 . 1605 . 1 1 10 LEU CB C -15.795 -4.663 4.584 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 2 . 1606 . 1 1 10 LEU CD1 C -14.476 -6.087 3.009 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1607 . 1 1 10 LEU CD2 C -13.734 -5.939 5.385 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1608 . 1 1 10 LEU CG C -14.935 -5.926 4.437 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 2 . 1609 . 1 1 10 LEU H H -13.538 -4.342 3.242 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 2 . 1610 . 1 1 10 LEU HA H -15.845 -2.641 3.853 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 2 . 1611 . 1 1 10 LEU HB2 H -16.160 -4.615 5.597 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1612 . 1 1 10 LEU HB3 H -16.648 -4.765 3.925 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1613 . 1 1 10 LEU HD11 H -14.530 -7.131 2.729 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1614 . 1 1 10 LEU HD12 H -13.455 -5.746 2.919 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1615 . 1 1 10 LEU HD13 H -15.106 -5.507 2.351 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1616 . 1 1 10 LEU HD21 H -13.178 -5.020 5.263 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 2 . 1617 . 1 1 10 LEU HD22 H -13.096 -6.777 5.148 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 2 . 1618 . 1 1 10 LEU HD23 H -14.075 -6.021 6.405 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 2 . 1619 . 1 1 10 LEU HG H -15.550 -6.783 4.673 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 2 . 1620 . 1 1 10 LEU N N -14.035 -3.486 3.283 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 2 . 1621 . 1 1 10 LEU O O -15.264 -2.131 6.337 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 2 . 1622 . 1 1 11 ILE C C -11.452 -1.574 6.508 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1623 . 1 1 11 ILE CA C -12.599 -2.481 6.923 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1624 . 1 1 11 ILE CB C -12.087 -3.623 7.838 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1625 . 1 1 11 ILE CD1 C -9.946 -5.022 7.859 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1626 . 1 1 11 ILE CG1 C -11.154 -4.566 7.065 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1627 . 1 1 11 ILE CG2 C -13.260 -4.413 8.398 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1628 . 1 1 11 ILE H H -12.757 -3.482 5.028 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1629 . 1 1 11 ILE HA H -13.317 -1.893 7.484 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1630 . 1 1 11 ILE HB H -11.547 -3.184 8.663 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1631 . 1 1 11 ILE HD11 H -10.251 -5.756 8.591 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1632 . 1 1 11 ILE HD12 H -9.504 -4.176 8.363 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1633 . 1 1 11 ILE HD13 H -9.221 -5.463 7.191 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1634 . 1 1 11 ILE HG12 H -11.707 -5.448 6.777 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1635 . 1 1 11 ILE HG13 H -10.799 -4.065 6.176 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1636 . 1 1 11 ILE HG21 H -14.094 -4.347 7.714 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1637 . 1 1 11 ILE HG22 H -13.544 -4.007 9.356 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1638 . 1 1 11 ILE HG23 H -12.973 -5.448 8.514 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1639 . 1 1 11 ILE N N -13.274 -2.982 5.732 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1640 . 2 2 1 . C1 C -11.036 9.388 -12.197 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 1641 . 2 2 1 . C2 C -10.206 10.376 -12.962 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 1642 . 2 2 1 . C3 C -10.263 11.720 -12.826 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 1643 . 2 2 1 . C4 C -9.369 12.669 -13.633 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 1644 . 2 2 1 . C5 C -11.217 12.427 -11.873 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 1645 . 2 2 1 . H11 H -11.824 9.916 -11.676 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 1646 . 2 2 1 . H12 H -11.474 8.688 -12.890 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 1647 . 2 2 1 . H2 H -9.443 9.923 -13.566 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 1648 . 2 2 1 . H41 H -9.080 12.194 -14.562 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 2 . 1649 . 2 2 1 . H42 H -8.485 12.897 -13.058 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 1650 . 2 2 1 . H43 H -9.908 13.579 -13.849 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 1651 . 2 2 1 . H51 H -10.934 13.464 -11.796 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 1652 . 2 2 1 . H52 H -11.156 11.961 -10.906 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 1653 . 2 2 1 . H53 H -12.229 12.353 -12.246 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 1654 . 3 1 1 . C C -8.519 2.296 2.620 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 2 . 1655 . 3 1 1 . C10 C -8.638 3.995 5.006 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 2 . 1656 . 3 1 1 . CA C -9.314 3.576 2.730 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1657 . 3 1 1 . CB C -10.710 3.284 3.224 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1658 . 3 1 1 . CD1 C -11.085 2.465 0.935 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1659 . 3 1 1 . CD2 C -12.823 2.167 2.527 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1660 . 3 1 1 . CE1 C -11.856 1.883 -0.029 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1661 . 3 1 1 . CE2 C -13.606 1.568 1.560 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1662 . 3 1 1 . CG C -11.555 2.612 2.217 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 2 . 1663 . 3 1 1 . CZ C -13.117 1.432 0.275 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1664 . 3 1 1 . H H -9.229 5.411 3.662 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 2 . 1665 . 3 1 1 . H11 H -8.172 3.018 4.988 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 2 . 1666 . 3 1 1 . H12 H -9.643 3.912 5.393 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 2 . 1667 . 3 1 1 . H13 H -8.061 4.655 5.639 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 2 . 1668 . 3 1 1 . HA H -9.371 4.025 1.756 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1669 . 3 1 1 . HB2 H -10.658 2.653 4.093 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1670 . 3 1 1 . HB3 H -11.189 4.217 3.486 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1671 . 3 1 1 . HD1 H -10.095 2.818 0.693 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1672 . 3 1 1 . HD2 H -13.197 2.280 3.535 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1673 . 3 1 1 . HE1 H -11.471 1.787 -1.035 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1674 . 3 1 1 . HE2 H -14.599 1.217 1.804 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1675 . 3 1 1 . HN2 H -7.710 4.751 3.295 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 1676 . 3 1 1 . HZ H -13.724 0.983 -0.495 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 2 . 1677 . 3 1 1 . N N -8.678 4.535 3.642 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 2 . 1678 . 3 1 1 . O O -8.627 1.407 3.468 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 2 . 1679 . 3 1 2 ILE C C -5.471 1.266 1.755 . . . 1.0 . . . . . . . . . . . . B . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1680 . 3 1 2 ILE CA C -6.917 1.026 1.388 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1681 . 3 1 2 ILE CB C -7.010 0.498 -0.065 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1682 . 3 1 2 ILE CD1 C -7.578 -1.703 -1.158 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1683 . 3 1 2 ILE CG1 C -6.822 -1.008 -0.058 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1684 . 3 1 2 ILE CG2 C -5.958 1.150 -0.960 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1685 . 3 1 2 ILE H H -7.594 2.975 0.975 . . . 1.0 . . . . . . . . . . . . B . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1686 . 3 1 2 ILE HA H -7.310 0.260 2.046 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1687 . 3 1 2 ILE HB H -7.989 0.732 -0.457 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1688 . 3 1 2 ILE HD11 H -8.619 -1.429 -1.094 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1689 . 3 1 2 ILE HD12 H -7.469 -2.769 -1.058 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1690 . 3 1 2 ILE HD13 H -7.180 -1.383 -2.111 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1691 . 3 1 2 ILE HG12 H -5.773 -1.236 -0.183 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1692 . 3 1 2 ILE HG13 H -7.160 -1.408 0.883 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1693 . 3 1 2 ILE HG21 H -6.040 2.224 -0.899 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1694 . 3 1 2 ILE HG22 H -6.119 0.836 -1.986 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1695 . 3 1 2 ILE HG23 H -4.973 0.841 -0.640 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1696 . 3 1 2 ILE N N -7.697 2.211 1.594 . . . 1.0 . . . . . . . . . . . . B . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1697 . 3 1 2 ILE O O -4.888 2.329 1.457 . . . 1.0 . . . . . . . . . . . . B . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1698 . 3 1 3 SER C C -3.076 -1.163 2.921 . . . 1.0 . . . . . . . . . . . . B . 3 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1699 . 3 1 3 SER CA C -3.559 0.263 2.851 . . . 1.0 . . . . . . . . . . . . B . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1700 . 3 1 3 SER CB C -3.331 0.940 4.197 . . . 1.0 . . . . . . . . . . . . B . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1701 . 3 1 3 SER H H -5.512 -0.478 2.717 . . . 1.0 . . . . . . . . . . . . B . 3 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1702 . 3 1 3 SER HA H -2.989 0.782 2.096 . . . 1.0 . . . . . . . . . . . . B . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1703 . 3 1 3 SER HB2 H -2.548 0.410 4.726 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1704 . 3 1 3 SER HB3 H -3.021 1.959 4.037 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1705 . 3 1 3 SER HG H -4.573 0.098 5.475 . . . 1.0 . . . . . . . . . . . . B . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1706 . 3 1 3 SER N N -4.937 0.278 2.455 . . . 1.0 . . . . . . . . . . . . B . 3 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1707 . 3 1 3 SER O O -3.861 -2.123 2.902 . . . 1.0 . . . . . . . . . . . . B . 3 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1708 . 3 1 3 SER OG O -4.494 0.938 5.008 . . . 1.0 . . . . . . . . . . . . B . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1709 . 3 1 4 . C C -0.001 -2.605 2.060 . . . 1.0 . . . . . . . . . . . . B . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 2 . 1710 . 3 1 4 . CA C -1.133 -2.570 3.044 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 2 . 1711 . 3 1 4 . CB C -0.569 -2.798 4.438 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 2 . 1712 . 3 1 4 . CD C -0.864 -3.917 6.667 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 2 . 1713 . 3 1 4 . CG C -1.561 -3.359 5.441 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 2 . 1714 . 3 1 4 . CZ C -2.136 -5.844 7.536 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1715 . 3 1 4 . H H -1.233 -0.470 2.893 . . . 1.0 . . . . . . . . . . . . B . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 2 . 1716 . 3 1 4 . HA H -1.850 -3.341 2.806 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 2 . 1717 . 3 1 4 . HB2 H -0.211 -1.852 4.813 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1718 . 3 1 4 . HB3 H 0.262 -3.481 4.365 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1719 . 3 1 4 . HD2 H -0.365 -3.110 7.181 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1720 . 3 1 4 . HD3 H -0.134 -4.648 6.352 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 1721 . 3 1 4 . HE H -2.218 -3.985 8.270 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 2 . 1722 . 3 1 4 . HG2 H -2.134 -4.145 4.969 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1723 . 3 1 4 . HG3 H -2.223 -2.565 5.748 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 1724 . 3 1 4 . HH11 H -3.248 -7.345 8.390 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 2 . 1725 . 3 1 4 . HH12 H -3.393 -5.725 9.159 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 2 . 1726 . 3 1 4 . HH21 H -1.897 -7.641 6.557 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 2 . 1727 . 3 1 4 . HH22 H -0.980 -6.248 5.883 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 2 . 1728 . 3 1 4 . N N -1.781 -1.284 2.962 . . . 1.0 . . . . . . . . . . . . B . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 2 . 1729 . 3 1 4 . NE N -1.805 -4.554 7.585 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 2 . 1730 . 3 1 4 . NH1 N -2.984 -6.340 8.425 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 2 . 1731 . 3 1 4 . NH2 N -1.634 -6.634 6.593 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 2 . 1732 . 3 1 4 . O O 0.681 -1.591 1.882 . . . 1.0 . . . . . . . . . . . . B . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 2 . 1733 . 3 1 5 . C C 1.878 -5.255 0.423 . . . 1.0 . . . . . . . . . . . . B . 5 28J C . . . . . . . . . c50202_6yfy 1 . 2 . 1734 . 3 1 5 . CA C 1.271 -3.853 0.450 . . . 1.0 . . . . . . . . . . . . B . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 2 . 1735 . 3 1 5 . CB C 0.800 -3.469 -0.979 . . . 1.0 . . . . . . . . . . . . B . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 2 . 1736 . 3 1 5 . CD1 C 0.070 -1.486 -2.416 . . . 1.0 . . . . . . . . . . . . B . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1737 . 3 1 5 . CG1 C 0.744 -1.946 -1.138 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1738 . 3 1 5 . CG2 C -0.573 -4.062 -1.272 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1739 . 3 1 5 . H21 H 2.044 -3.154 0.739 . . . 1.0 . . . . . . . . . . . . B . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 2 . 1740 . 3 1 5 . H22 H 1.501 -3.874 -1.690 . . . 1.0 . . . . . . . . . . . . B . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 2 . 1741 . 3 1 5 . H23 H -1.295 -3.655 -0.579 . . . 1.0 . . . . . . . . . . . . B . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 2 . 1742 . 3 1 5 . H24 H -0.536 -5.136 -1.165 . . . 1.0 . . . . . . . . . . . . B . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 2 . 1743 . 3 1 5 . H25 H -0.865 -3.809 -2.280 . . . 1.0 . . . . . . . . . . . . B . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 2 . 1744 . 3 1 5 . H26 H 1.749 -1.553 -1.130 . . . 1.0 . . . . . . . . . . . . B . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 2 . 1745 . 3 1 5 . H27 H 0.192 -1.529 -0.310 . . . 1.0 . . . . . . . . . . . . B . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 2 . 1746 . 3 1 5 . H28 H 0.198 -0.419 -2.528 . . . 1.0 . . . . . . . . . . . . B . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 2 . 1747 . 3 1 5 . H29 H -0.985 -1.718 -2.372 . . . 1.0 . . . . . . . . . . . . B . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 2 . 1748 . 3 1 5 . H30 H 0.515 -1.992 -3.260 . . . 1.0 . . . . . . . . . . . . B . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 2 . 1749 . 3 1 5 . N N 0.197 -3.742 1.412 . . . 1.0 . . . . . . . . . . . . B . 5 28J N . . . . . . . . . c50202_6yfy 1 . 2 . 1750 . 3 1 5 . O O 1.545 -6.116 1.257 . . . 1.0 . . . . . . . . . . . . B . 5 28J O . . . . . . . . . c50202_6yfy 1 . 2 . 1751 . 3 1 6 ILE C C 4.998 -6.692 -0.796 . . . 1.0 . . . . . . . . . . . . B . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1752 . 3 1 6 ILE CA C 3.466 -6.736 -0.732 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1753 . 3 1 6 ILE CB C 2.889 -7.319 -2.051 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1754 . 3 1 6 ILE CD1 C 3.451 -8.690 -4.136 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1755 . 3 1 6 ILE CG1 C 3.927 -8.143 -2.821 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1756 . 3 1 6 ILE CG2 C 2.301 -6.220 -2.966 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1757 . 3 1 6 ILE H H 3.194 -4.631 -0.971 . . . 1.0 . . . . . . . . . . . . B . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1758 . 3 1 6 ILE HA H 3.175 -7.392 0.075 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1759 . 3 1 6 ILE HB H 2.070 -7.964 -1.774 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1760 . 3 1 6 ILE HD11 H 3.473 -7.913 -4.886 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1761 . 3 1 6 ILE HD12 H 2.440 -9.065 -4.035 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1762 . 3 1 6 ILE HD13 H 4.099 -9.500 -4.442 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1763 . 3 1 6 ILE HG12 H 4.781 -7.522 -3.029 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1764 . 3 1 6 ILE HG13 H 4.234 -8.978 -2.212 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1765 . 3 1 6 ILE HG21 H 2.082 -6.642 -3.939 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1766 . 3 1 6 ILE HG22 H 3.008 -5.410 -3.086 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1767 . 3 1 6 ILE HG23 H 1.383 -5.835 -2.537 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1768 . 3 1 6 ILE N N 2.851 -5.425 -0.484 . . . 1.0 . . . . . . . . . . . . B . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1769 . 3 1 6 ILE O O 5.591 -5.795 -1.412 . . . 1.0 . . . . . . . . . . . . B . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1770 . 3 1 7 SER C C 7.698 -9.112 0.100 . . . 1.0 . . . . . . . . . . . . B . 7 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1771 . 3 1 7 SER CA C 7.108 -7.720 -0.136 . . . 1.0 . . . . . . . . . . . . B . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1772 . 3 1 7 SER CB C 7.645 -6.840 0.969 . . . 1.0 . . . . . . . . . . . . B . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1773 . 3 1 7 SER H H 5.135 -8.322 0.402 . . . 1.0 . . . . . . . . . . . . B . 7 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1774 . 3 1 7 SER HA H 7.450 -7.343 -1.082 . . . 1.0 . . . . . . . . . . . . B . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1775 . 3 1 7 SER HB2 H 8.594 -7.229 1.306 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1776 . 3 1 7 SER HB3 H 7.767 -5.830 0.609 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1777 . 3 1 7 SER HG H 6.630 -7.724 2.374 . . . 1.0 . . . . . . . . . . . . B . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1778 . 3 1 7 SER N N 5.648 -7.663 -0.132 . . . 1.0 . . . . . . . . . . . . B . 7 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1779 . 3 1 7 SER O O 7.107 -9.970 0.773 . . . 1.0 . . . . . . . . . . . . B . 7 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1780 . 3 1 7 SER OG O 6.748 -6.832 2.048 . . . 1.0 . . . . . . . . . . . . B . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1781 . 3 1 8 DTH C C 10.860 -10.708 -1.422 . . . 1.0 . . . . . . . . . . . . B . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 2 . 1782 . 3 1 8 DTH CA C 9.702 -10.497 -0.320 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 2 . 1783 . 3 1 8 DTH CB C 10.566 -10.558 0.970 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 2 . 1784 . 3 1 8 DTH CG2 C 9.700 -10.392 2.197 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1785 . 3 1 8 DTH H H 9.161 -8.642 -1.151 . . . 1.0 . . . . . . . . . . . . B . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 2 . 1786 . 3 1 8 DTH HA H 9.056 -11.362 -0.349 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 2 . 1787 . 3 1 8 DTH HB H 11.084 -11.532 1.022 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 2 . 1788 . 3 1 8 DTH HG21 H 8.972 -11.189 2.241 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1789 . 3 1 8 DTH HG22 H 9.194 -9.440 2.164 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1790 . 3 1 8 DTH HG23 H 10.325 -10.433 3.081 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1791 . 3 1 8 DTH N N 8.884 -9.293 -0.483 . . . 1.0 . . . . . . . . . . . . B . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 2 . 1792 . 3 1 8 DTH O O 11.559 -11.686 -1.241 . . . 1.0 . . . . . . . . . . . . B . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 2 . 1793 . 3 1 8 DTH OG1 O 11.590 -9.558 0.911 . . . 1.0 . . . . . . . . . . . . B . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1794 . 3 1 9 ALA C C 13.552 -9.231 -2.515 . . . 1.0 . . . . . . . . . . . . B . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 1795 . 3 1 9 ALA CA C 12.314 -9.771 -3.153 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 1796 . 3 1 9 ALA CB C 12.033 -8.988 -4.425 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 1797 . 3 1 9 ALA H H 10.662 -8.885 -2.233 . . . 1.0 . . . . . . . . . . . . B . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 2 . 1798 . 3 1 9 ALA HA H 12.460 -10.788 -3.425 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 1799 . 3 1 9 ALA HB1 H 11.518 -8.073 -4.187 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 1800 . 3 1 9 ALA HB2 H 11.422 -9.587 -5.086 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1801 . 3 1 9 ALA HB3 H 12.969 -8.760 -4.914 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1802 . 3 1 9 ALA N N 11.188 -9.700 -2.246 . . . 1.0 . . . . . . . . . . . . B . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 1803 . 3 1 9 ALA O O 14.519 -9.933 -2.224 . . . 1.0 . . . . . . . . . . . . B . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 1804 . 3 1 10 LEU C C 14.747 -7.605 -0.221 . . . 1.0 . . . . . . . . . . . . B . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 2 . 1805 . 3 1 10 LEU CA C 14.543 -7.189 -1.667 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 2 . 1806 . 3 1 10 LEU CB C 14.230 -5.682 -1.738 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 2 . 1807 . 3 1 10 LEU CD1 C 12.574 -3.890 -2.201 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1808 . 3 1 10 LEU CD2 C 13.248 -5.352 -4.071 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1809 . 3 1 10 LEU CG C 12.996 -5.283 -2.568 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 2 . 1810 . 3 1 10 LEU H H 12.613 -7.530 -2.496 . . . 1.0 . . . . . . . . . . . . B . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 2 . 1811 . 3 1 10 LEU HA H 15.439 -7.391 -2.221 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 2 . 1812 . 3 1 10 LEU HB2 H 14.096 -5.311 -0.730 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1813 . 3 1 10 LEU HB3 H 15.090 -5.189 -2.167 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1814 . 3 1 10 LEU HD11 H 12.288 -3.865 -1.160 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1815 . 3 1 10 LEU HD12 H 11.734 -3.595 -2.813 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1816 . 3 1 10 LEU HD13 H 13.396 -3.212 -2.365 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1817 . 3 1 10 LEU HD21 H 12.355 -5.048 -4.600 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 2 . 1818 . 3 1 10 LEU HD22 H 13.502 -6.366 -4.351 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 2 . 1819 . 3 1 10 LEU HD23 H 14.057 -4.692 -4.326 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 2 . 1820 . 3 1 10 LEU HG H 12.177 -5.953 -2.332 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 2 . 1821 . 3 1 10 LEU N N 13.460 -7.962 -2.268 . . . 1.0 . . . . . . . . . . . . B . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 2 . 1822 . 3 1 10 LEU O O 15.835 -7.473 0.337 . . . 1.0 . . . . . . . . . . . . B . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 2 . 1823 . 3 1 11 ILE C C 12.604 -9.644 1.914 . . . 1.0 . . . . . . . . . . . . B . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1824 . 3 1 11 ILE CA C 13.686 -8.590 1.742 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1825 . 3 1 11 ILE CB C 13.422 -7.406 2.729 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1826 . 3 1 11 ILE CD1 C 11.815 -5.466 3.261 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1827 . 3 1 11 ILE CG1 C 12.364 -6.413 2.202 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1828 . 3 1 11 ILE CG2 C 14.716 -6.659 2.979 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1829 . 3 1 11 ILE H H 12.911 -8.432 -0.237 . . . 1.0 . . . . . . . . . . . . B . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1830 . 3 1 11 ILE HA H 14.649 -9.029 1.968 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1831 . 3 1 11 ILE HB H 13.085 -7.818 3.667 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1832 . 3 1 11 ILE HD11 H 12.617 -4.854 3.649 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1833 . 3 1 11 ILE HD12 H 11.378 -6.037 4.067 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1834 . 3 1 11 ILE HD13 H 11.059 -4.829 2.821 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1835 . 3 1 11 ILE HG12 H 12.806 -5.807 1.424 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1836 . 3 1 11 ILE HG13 H 11.532 -6.964 1.787 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1837 . 3 1 11 ILE HG21 H 15.092 -6.277 2.041 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1838 . 3 1 11 ILE HG22 H 15.441 -7.331 3.412 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1839 . 3 1 11 ILE HG23 H 14.532 -5.837 3.652 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1840 . 3 1 11 ILE N N 13.692 -8.180 0.344 . . . 1.0 . . . . . . . . . . . . B . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1841 . 4 2 1 . C1 C 9.406 10.291 -5.092 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 1842 . 4 2 1 . C2 C 10.900 10.480 -5.075 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 1843 . 4 2 1 . C3 C 11.537 11.668 -5.173 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 1844 . 4 2 1 . C4 C 13.064 11.790 -5.134 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 1845 . 4 2 1 . C5 C 10.810 12.995 -5.336 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 1846 . 4 2 1 . H11 H 9.155 9.410 -4.516 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 1847 . 4 2 1 . H12 H 8.939 11.153 -4.647 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 1848 . 4 2 1 . H2 H 11.463 9.563 -4.966 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 1849 . 4 2 1 . H41 H 13.499 10.841 -4.844 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 2 . 1850 . 4 2 1 . H42 H 13.341 12.546 -4.415 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 1851 . 4 2 1 . H43 H 13.431 12.068 -6.112 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 1852 . 4 2 1 . H51 H 11.527 13.762 -5.583 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 1853 . 4 2 1 . H52 H 10.321 13.243 -4.411 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 1854 . 4 2 1 . H53 H 10.075 12.916 -6.124 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 1855 . 5 1 1 . C C 7.399 -2.842 -2.386 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 2 . 1856 . 5 1 1 . C10 C 8.896 -3.867 -0.168 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 2 . 1857 . 5 1 1 . CA C 8.138 -4.164 -2.442 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1858 . 5 1 1 . CB C 9.545 -3.927 -2.975 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1859 . 5 1 1 . CD1 C 8.940 -4.586 -5.304 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1860 . 5 1 1 . CD2 C 10.380 -2.704 -4.995 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1861 . 5 1 1 . CE1 C 9.021 -4.429 -6.674 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1862 . 5 1 1 . CE2 C 10.461 -2.536 -6.365 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1863 . 5 1 1 . CG C 9.612 -3.726 -4.454 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 2 . 1864 . 5 1 1 . CZ C 9.787 -3.407 -7.207 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1865 . 5 1 1 . H H 8.731 -5.658 -1.127 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 2 . 1866 . 5 1 1 . H11 H 9.876 -3.636 -0.567 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 2 . 1867 . 5 1 1 . H12 H 9.005 -4.349 0.794 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 2 . 1868 . 5 1 1 . H13 H 8.327 -2.957 -0.055 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 2 . 1869 . 5 1 1 . HA H 7.612 -4.841 -3.103 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1870 . 5 1 1 . HB2 H 9.950 -3.041 -2.508 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1871 . 5 1 1 . HB3 H 10.164 -4.774 -2.729 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1872 . 5 1 1 . HD1 H 8.340 -5.380 -4.885 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1873 . 5 1 1 . HD2 H 10.904 -2.026 -4.334 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1874 . 5 1 1 . HE1 H 8.493 -5.110 -7.326 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 2 . 1875 . 5 1 1 . HE2 H 11.060 -1.735 -6.776 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 1876 . 5 1 1 . HN2 H 7.229 -4.968 -0.757 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 1877 . 5 1 1 . HZ H 9.855 -3.285 -8.278 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 2 . 1878 . 5 1 1 . N N 8.205 -4.770 -1.092 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 2 . 1879 . 5 1 1 . O O 8.016 -1.778 -2.320 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 2 . 1880 . 5 1 2 ILE C C 4.379 -1.704 -1.143 . . . 1.0 . . . . . . . . . . . . E . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1881 . 5 1 2 ILE CA C 5.323 -1.693 -2.327 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1882 . 5 1 2 ILE CB C 4.568 -1.485 -3.661 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1883 . 5 1 2 ILE CD1 C 3.861 0.313 -5.328 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1884 . 5 1 2 ILE CG1 C 4.464 0.002 -3.984 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1885 . 5 1 2 ILE CG2 C 3.196 -2.155 -3.640 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1886 . 5 1 2 ILE H H 5.637 -3.772 -2.307 . . . 1.0 . . . . . . . . . . . . E . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1887 . 5 1 2 ILE HA H 6.014 -0.868 -2.201 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1888 . 5 1 2 ILE HB H 5.148 -1.960 -4.438 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1889 . 5 1 2 ILE HD11 H 2.830 0.003 -5.336 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1890 . 5 1 2 ILE HD12 H 4.410 -0.211 -6.095 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1891 . 5 1 2 ILE HD13 H 3.923 1.377 -5.504 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1892 . 5 1 2 ILE HG12 H 3.852 0.483 -3.235 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1893 . 5 1 2 ILE HG13 H 5.450 0.435 -3.956 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1894 . 5 1 2 ILE HG21 H 2.541 -1.626 -2.963 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1895 . 5 1 2 ILE HG22 H 3.297 -3.183 -3.318 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1896 . 5 1 2 ILE HG23 H 2.778 -2.134 -4.635 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1897 . 5 1 2 ILE N N 6.093 -2.901 -2.354 . . . 1.0 . . . . . . . . . . . . E . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1898 . 5 1 2 ILE O O 3.848 -2.758 -0.751 . . . 1.0 . . . . . . . . . . . . E . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1899 . 5 1 3 SER C C 2.810 1.055 0.602 . . . 1.0 . . . . . . . . . . . . E . 3 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1900 . 5 1 3 SER CA C 3.341 -0.358 0.572 . . . 1.0 . . . . . . . . . . . . E . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1901 . 5 1 3 SER CB C 3.993 -0.713 1.905 . . . 1.0 . . . . . . . . . . . . E . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1902 . 5 1 3 SER H H 4.747 0.243 -0.869 . . . 1.0 . . . . . . . . . . . . E . 3 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1903 . 5 1 3 SER HA H 2.504 -1.021 0.415 . . . 1.0 . . . . . . . . . . . . E . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1904 . 5 1 3 SER HB2 H 4.851 -0.075 2.055 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1905 . 5 1 3 SER HB3 H 3.284 -0.545 2.699 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1906 . 5 1 3 SER HG H 4.393 -2.460 1.086 . . . 1.0 . . . . . . . . . . . . E . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1907 . 5 1 3 SER N N 4.234 -0.532 -0.541 . . . 1.0 . . . . . . . . . . . . E . 3 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1908 . 5 1 3 SER O O 3.430 1.997 0.087 . . . 1.0 . . . . . . . . . . . . E . 3 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1909 . 5 1 3 SER OG O 4.426 -2.057 1.966 . . . 1.0 . . . . . . . . . . . . E . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1910 . 5 1 4 . C C -0.470 2.271 0.955 . . . 1.0 . . . . . . . . . . . . E . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 2 . 1911 . 5 1 4 . CA C 0.982 2.449 1.314 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 2 . 1912 . 5 1 4 . CB C 1.077 2.988 2.733 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 2 . 1913 . 5 1 4 . CD C 2.589 4.957 2.444 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 2 . 1914 . 5 1 4 . CG C 2.426 3.589 3.073 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 2 . 1915 . 5 1 4 . CZ C 4.198 6.811 2.597 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 2 . 1916 . 5 1 4 . H H 1.242 0.378 1.595 . . . 1.0 . . . . . . . . . . . . E . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 2 . 1917 . 5 1 4 . HA H 1.440 3.144 0.629 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 2 . 1918 . 5 1 4 . HB2 H 0.883 2.179 3.420 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1919 . 5 1 4 . HB3 H 0.324 3.748 2.865 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1920 . 5 1 4 . HD2 H 1.841 5.617 2.854 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 1921 . 5 1 4 . HD3 H 2.448 4.871 1.377 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 1922 . 5 1 4 . HE H 4.617 4.894 2.970 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 2 . 1923 . 5 1 4 . HG2 H 3.206 2.935 2.707 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1924 . 5 1 4 . HG3 H 2.505 3.683 4.145 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 1925 . 5 1 4 . HH11 H 5.652 8.245 2.802 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 2 . 1926 . 5 1 4 . HH12 H 6.143 6.561 3.200 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 2 . 1927 . 5 1 4 . HH21 H 3.502 8.689 2.115 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 2 . 1928 . 5 1 4 . HH22 H 2.313 7.346 1.966 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 2 . 1929 . 5 1 4 . N N 1.657 1.179 1.208 . . . 1.0 . . . . . . . . . . . . E . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 2 . 1930 . 5 1 4 . NE N 3.908 5.517 2.702 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 2 . 1931 . 5 1 4 . NH1 N 5.417 7.236 2.886 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 2 . 1932 . 5 1 4 . NH2 N 3.272 7.677 2.199 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 2 . 1933 . 5 1 4 . O O -1.106 1.334 1.450 . . . 1.0 . . . . . . . . . . . . E . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 2 . 1934 . 5 1 5 . C C -2.928 4.470 -0.609 . . . 1.0 . . . . . . . . . . . . E . 5 28J C . . . . . . . . . c50202_6yfy 1 . 2 . 1935 . 5 1 5 . CA C -2.371 3.079 -0.319 . . . 1.0 . . . . . . . . . . . . E . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 2 . 1936 . 5 1 5 . CB C -2.562 2.209 -1.589 . . . 1.0 . . . . . . . . . . . . E . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 2 . 1937 . 5 1 5 . CD1 C -3.093 -0.191 -2.310 . . . 1.0 . . . . . . . . . . . . E . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1938 . 5 1 5 . CG1 C -2.528 0.715 -1.231 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1939 . 5 1 5 . CG2 C -1.502 2.529 -2.633 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1940 . 5 1 5 . H21 H -2.936 2.631 0.487 . . . 1.0 . . . . . . . . . . . . E . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 2 . 1941 . 5 1 5 . H22 H -3.526 2.444 -2.011 . . . 1.0 . . . . . . . . . . . . E . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 2 . 1942 . 5 1 5 . H23 H -1.652 1.907 -3.502 . . . 1.0 . . . . . . . . . . . . E . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 2 . 1943 . 5 1 5 . H24 H -0.522 2.341 -2.220 . . . 1.0 . . . . . . . . . . . . E . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 2 . 1944 . 5 1 5 . H25 H -1.581 3.568 -2.916 . . . 1.0 . . . . . . . . . . . . E . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 2 . 1945 . 5 1 5 . H26 H -3.102 0.556 -0.330 . . . 1.0 . . . . . . . . . . . . E . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 2 . 1946 . 5 1 5 . H27 H -1.505 0.418 -1.055 . . . 1.0 . . . . . . . . . . . . E . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 2 . 1947 . 5 1 5 . H28 H -2.464 -0.144 -3.186 . . . 1.0 . . . . . . . . . . . . E . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 2 . 1948 . 5 1 5 . H29 H -4.092 0.133 -2.567 . . . 1.0 . . . . . . . . . . . . E . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 2 . 1949 . 5 1 5 . H30 H -3.128 -1.207 -1.945 . . . 1.0 . . . . . . . . . . . . E . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 2 . 1950 . 5 1 5 . N N -0.980 3.145 0.088 . . . 1.0 . . . . . . . . . . . . E . 5 28J N . . . . . . . . . c50202_6yfy 1 . 2 . 1951 . 5 1 5 . O O -2.169 5.451 -0.695 . . . 1.0 . . . . . . . . . . . . E . 5 28J O . . . . . . . . . c50202_6yfy 1 . 2 . 1952 . 5 1 6 ILE C C -6.264 5.997 -0.325 . . . 1.0 . . . . . . . . . . . . E . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 1953 . 5 1 6 ILE CA C -4.922 5.825 -1.028 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 1954 . 5 1 6 ILE CB C -5.063 5.929 -2.596 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 1955 . 5 1 6 ILE CD1 C -6.217 7.130 -4.542 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 1956 . 5 1 6 ILE CG1 C -6.007 7.049 -3.051 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1957 . 5 1 6 ILE CG2 C -5.503 4.616 -3.263 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1958 . 5 1 6 ILE H H -4.818 3.800 -0.327 . . . 1.0 . . . . . . . . . . . . E . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 1959 . 5 1 6 ILE HA H -4.274 6.628 -0.707 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 1960 . 5 1 6 ILE HB H -4.078 6.148 -2.976 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 1961 . 5 1 6 ILE HD11 H -5.267 7.235 -5.042 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 1962 . 5 1 6 ILE HD12 H -6.848 7.976 -4.774 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 1963 . 5 1 6 ILE HD13 H -6.700 6.223 -4.882 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 1964 . 5 1 6 ILE HG12 H -6.977 6.878 -2.607 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 1965 . 5 1 6 ILE HG13 H -5.626 7.999 -2.714 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 1966 . 5 1 6 ILE HG21 H -4.842 3.819 -2.938 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1967 . 5 1 6 ILE HG22 H -5.445 4.706 -4.337 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1968 . 5 1 6 ILE HG23 H -6.514 4.374 -2.973 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1969 . 5 1 6 ILE N N -4.264 4.567 -0.648 . . . 1.0 . . . . . . . . . . . . E . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 1970 . 5 1 6 ILE O O -7.007 5.029 -0.126 . . . 1.0 . . . . . . . . . . . . E . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 1971 . 5 1 7 SER C C -8.147 8.969 0.801 . . . 1.0 . . . . . . . . . . . . E . 7 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 1972 . 5 1 7 SER CA C -7.799 7.488 0.803 . . . 1.0 . . . . . . . . . . . . E . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 1973 . 5 1 7 SER CB C -7.751 6.996 2.238 . . . 1.0 . . . . . . . . . . . . E . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 1974 . 5 1 7 SER H H -5.860 7.944 0.062 . . . 1.0 . . . . . . . . . . . . E . 7 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 1975 . 5 1 7 SER HA H -8.564 6.951 0.279 . . . 1.0 . . . . . . . . . . . . E . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 1976 . 5 1 7 SER HB2 H -8.066 7.787 2.902 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 1977 . 5 1 7 SER HB3 H -8.402 6.143 2.351 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 1978 . 5 1 7 SER HG H -5.841 7.000 1.958 . . . 1.0 . . . . . . . . . . . . E . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 1979 . 5 1 7 SER N N -6.537 7.220 0.137 . . . 1.0 . . . . . . . . . . . . E . 7 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 1980 . 5 1 7 SER O O -7.276 9.837 0.927 . . . 1.0 . . . . . . . . . . . . E . 7 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 1981 . 5 1 7 SER OG O -6.458 6.612 2.578 . . . 1.0 . . . . . . . . . . . . E . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 1982 . 5 1 8 DTH C C -11.363 10.799 0.050 . . . 1.0 . . . . . . . . . . . . E . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 2 . 1983 . 5 1 8 DTH CA C -9.961 10.607 0.690 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 2 . 1984 . 5 1 8 DTH CB C -10.183 11.112 2.137 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 2 . 1985 . 5 1 8 DTH CG2 C -8.860 11.077 2.878 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 1986 . 5 1 8 DTH H H -10.064 8.502 0.545 . . . 1.0 . . . . . . . . . . . . E . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 2 . 1987 . 5 1 8 DTH HA H -9.238 11.252 0.210 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 2 . 1988 . 5 1 8 DTH HB H -10.578 12.138 2.128 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 2 . 1989 . 5 1 8 DTH HG21 H -8.155 11.740 2.400 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 1990 . 5 1 8 DTH HG22 H -8.468 10.069 2.874 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 1991 . 5 1 8 DTH HG23 H -9.014 11.395 3.900 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 1992 . 5 1 8 DTH N N -9.443 9.242 0.674 . . . 1.0 . . . . . . . . . . . . E . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 2 . 1993 . 5 1 8 DTH O O -11.779 11.940 -0.125 . . . 1.0 . . . . . . . . . . . . E . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 2 . 1994 . 5 1 8 DTH OG1 O -11.131 10.287 2.813 . . . 1.0 . . . . . . . . . . . . E . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 2 . 1995 . 5 1 9 ALA C C -14.418 9.778 0.489 . . . 1.0 . . . . . . . . . . . . E . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 1996 . 5 1 9 ALA CA C -13.498 9.759 -0.685 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 1997 . 5 1 9 ALA CB C -13.899 8.528 -1.501 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 1998 . 5 1 9 ALA H H -11.699 8.836 -0.069 . . . 1.0 . . . . . . . . . . . . E . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 2 . 1999 . 5 1 9 ALA HA H -13.641 10.641 -1.285 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2000 . 5 1 9 ALA HB1 H -13.188 8.351 -2.291 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2001 . 5 1 9 ALA HB2 H -14.879 8.684 -1.928 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2002 . 5 1 9 ALA HB3 H -13.936 7.665 -0.849 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2003 . 5 1 9 ALA N N -12.102 9.705 -0.205 . . . 1.0 . . . . . . . . . . . . E . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2004 . 5 1 9 ALA O O -15.069 10.774 0.794 . . . 1.0 . . . . . . . . . . . . E . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2005 . 5 1 10 LEU C C -14.715 9.199 3.467 . . . 1.0 . . . . . . . . . . . . E . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 2 . 2006 . 5 1 10 LEU CA C -15.308 8.448 2.306 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 2 . 2007 . 5 1 10 LEU CB C -15.475 6.965 2.662 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 2 . 2008 . 5 1 10 LEU CD1 C -13.973 5.660 4.165 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2009 . 5 1 10 LEU CD2 C -14.160 4.959 1.804 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2010 . 5 1 10 LEU CG C -14.176 6.147 2.759 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 2 . 2011 . 5 1 10 LEU H H -13.875 7.882 0.826 . . . 1.0 . . . . . . . . . . . . E . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 2 . 2012 . 5 1 10 LEU HA H -16.274 8.873 2.080 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 2 . 2013 . 5 1 10 LEU HB2 H -15.995 6.896 3.606 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2014 . 5 1 10 LEU HB3 H -16.096 6.512 1.900 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2015 . 5 1 10 LEU HD11 H -14.774 4.989 4.435 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2016 . 5 1 10 LEU HD12 H -13.969 6.505 4.839 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2017 . 5 1 10 LEU HD13 H -13.029 5.142 4.236 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2018 . 5 1 10 LEU HD21 H -14.087 5.318 0.788 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 2 . 2019 . 5 1 10 LEU HD22 H -15.078 4.401 1.919 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 2 . 2020 . 5 1 10 LEU HD23 H -13.320 4.321 2.025 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 2 . 2021 . 5 1 10 LEU HG H -13.342 6.788 2.510 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 2 . 2022 . 5 1 10 LEU N N -14.458 8.628 1.142 . . . 1.0 . . . . . . . . . . . . E . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 2 . 2023 . 5 1 10 LEU O O -15.421 9.808 4.271 . . . 1.0 . . . . . . . . . . . . E . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 2 . 2024 . 5 1 11 ILE C C -11.714 10.834 3.991 . . . 1.0 . . . . . . . . . . . . E . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 2025 . 5 1 11 ILE CA C -12.712 9.876 4.606 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 2026 . 5 1 11 ILE CB C -12.007 8.930 5.617 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 2027 . 5 1 11 ILE CD1 C -10.231 7.088 5.777 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2028 . 5 1 11 ILE CG1 C -11.226 7.820 4.893 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2029 . 5 1 11 ILE CG2 C -13.043 8.301 6.532 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2030 . 5 1 11 ILE H H -12.873 8.681 2.825 . . . 1.0 . . . . . . . . . . . . E . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 2031 . 5 1 11 ILE HA H -13.457 10.452 5.143 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 2032 . 5 1 11 ILE HB H -11.327 9.514 6.219 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 2033 . 5 1 11 ILE HD11 H -10.763 6.429 6.449 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2034 . 5 1 11 ILE HD12 H -9.663 7.803 6.351 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2035 . 5 1 11 ILE HD13 H -9.561 6.507 5.161 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2036 . 5 1 11 ILE HG12 H -11.925 7.088 4.515 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 2037 . 5 1 11 ILE HG13 H -10.682 8.250 4.065 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 2038 . 5 1 11 ILE HG21 H -13.943 8.102 5.968 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 2039 . 5 1 11 ILE HG22 H -13.268 8.981 7.340 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 2040 . 5 1 11 ILE HG23 H -12.658 7.377 6.933 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 2041 . 5 1 11 ILE N N -13.400 9.166 3.540 . . . 1.0 . . . . . . . . . . . . E . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 2042 . 6 3 1 . C1 C -9.709 -7.411 4.903 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2043 . 6 3 1 . C10 C -7.498 -7.718 8.965 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 2 . 2044 . 6 3 1 . C11 C -5.795 -6.876 7.048 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 2 . 2045 . 6 3 1 . C2 C -8.279 -7.892 5.102 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2046 . 6 3 1 . C3 C -8.264 -9.112 6.072 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2047 . 6 3 1 . C4 C -9.519 -9.183 6.991 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2048 . 6 3 1 . C5 C -10.820 -9.184 6.199 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2049 . 6 3 1 . C6 C -11.910 -8.407 6.925 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2050 . 6 3 1 . C7 C -7.771 -9.469 3.362 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2051 . 6 3 1 . C8 C -7.104 -9.828 2.082 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2052 . 6 3 1 . C9 C -6.847 -7.897 7.587 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 2 . 2053 . 6 3 1 . H1 H -10.026 -6.728 5.691 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2054 . 6 3 1 . H111 H -4.787 -7.341 6.941 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 2 . 2055 . 6 3 1 . H112 H -5.700 -6.094 7.729 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 2 . 2056 . 6 3 1 . H113 H -6.145 -6.459 6.099 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 2 . 2057 . 6 3 1 . H2 H -7.787 -6.952 5.449 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2058 . 6 3 1 . H3 H -8.202 -10.050 5.542 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2059 . 6 3 1 . H4A H -9.403 -8.510 7.857 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 2 . 2060 . 6 3 1 . H5 H -11.196 -10.121 6.069 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2061 . 6 3 1 . H61 H -12.865 -8.869 6.594 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2062 . 6 3 1 . H62 H -11.987 -7.328 6.678 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2063 . 6 3 1 . H81 H -6.035 -9.651 2.163 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2064 . 6 3 1 . H82 H -7.503 -9.221 1.288 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2065 . 6 3 1 . H83 H -7.299 -10.871 1.871 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2066 . 6 3 1 . H9 H -7.804 -7.524 7.292 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 2 . 2067 . 6 3 1 . HN2 H -7.076 -7.586 3.362 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2068 . 6 3 1 . HO6 H -12.019 -9.672 8.507 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2069 . 6 3 1 . N2 N -7.630 -8.240 3.851 . . . 1.0 . . . . . . . . . . . . C . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2070 . 6 3 1 . O1 O -9.802 -6.782 3.660 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 2 . 2071 . 6 3 1 . O10 O -7.154 -6.750 9.668 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 2 . 2072 . 6 3 1 . O3 O -7.042 -9.134 6.878 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2073 . 6 3 1 . O4 O -9.383 -10.348 7.837 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2074 . 6 3 1 . O5 O -10.604 -8.564 4.908 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2075 . 6 3 1 . O6 O -11.877 -8.703 8.311 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2076 . 6 3 1 . O7 O -8.421 -10.320 3.974 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2077 . 7 1 1 . C C -7.754 14.117 -0.447 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 2 . 2078 . 7 1 1 . C10 C -8.442 15.629 2.054 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 2 . 2079 . 7 1 1 . CA C -8.277 15.554 -0.399 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 2 . 2080 . 7 1 1 . CB C -9.806 15.550 -0.513 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 2 . 2081 . 7 1 1 . CD1 C -9.772 16.044 -2.984 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2082 . 7 1 1 . CD2 C -11.339 14.432 -2.164 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2083 . 7 1 1 . CE1 C -10.243 15.849 -4.274 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2084 . 7 1 1 . CE2 C -11.812 14.235 -3.449 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2085 . 7 1 1 . CG C -10.313 15.336 -1.915 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 2 . 2086 . 7 1 1 . CZ C -11.267 14.946 -4.505 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 2 . 2087 . 7 1 1 . H H -8.149 17.245 0.831 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 2 . 2088 . 7 1 1 . H11 H -8.206 14.573 2.062 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2089 . 7 1 1 . H12 H -9.515 15.755 2.033 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2090 . 7 1 1 . H13 H -8.045 16.092 2.947 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 2 . 2091 . 7 1 1 . HA H -7.868 16.096 -1.241 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 2 . 2092 . 7 1 1 . HB2 H -10.202 14.757 0.106 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2093 . 7 1 1 . HB3 H -10.189 16.496 -0.162 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2094 . 7 1 1 . HD1 H -8.974 16.750 -2.802 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2095 . 7 1 1 . HD2 H -11.765 13.873 -1.343 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2096 . 7 1 1 . HE1 H -9.815 16.404 -5.096 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2097 . 7 1 1 . HE2 H -12.611 13.530 -3.627 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2098 . 7 1 1 . HN2 H -6.797 16.232 0.922 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2099 . 7 1 1 . HZ H -11.638 14.791 -5.510 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 2 . 2100 . 7 1 1 . N N -7.844 16.255 0.859 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 2 . 2101 . 7 1 1 . O O -8.386 13.203 0.078 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 2 . 2102 . 7 1 2 ILE C C -4.956 12.421 -0.087 . . . 1.0 . . . . . . . . . . . . F . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 2103 . 7 1 2 ILE CA C -6.011 12.594 -1.177 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 2104 . 7 1 2 ILE CB C -5.386 12.354 -2.589 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 2105 . 7 1 2 ILE CD1 C -5.398 10.717 -4.574 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2106 . 7 1 2 ILE CG1 C -5.699 10.939 -3.107 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2107 . 7 1 2 ILE CG2 C -3.880 12.603 -2.573 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2108 . 7 1 2 ILE H H -6.114 14.686 -1.438 . . . 1.0 . . . . . . . . . . . . F . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 2109 . 7 1 2 ILE HA H -6.799 11.866 -1.022 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 2110 . 7 1 2 ILE HB H -5.825 13.072 -3.270 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 2111 . 7 1 2 ILE HD11 H -5.945 11.434 -5.166 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2112 . 7 1 2 ILE HD12 H -5.689 9.716 -4.854 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2113 . 7 1 2 ILE HD13 H -4.338 10.844 -4.742 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2114 . 7 1 2 ILE HG12 H -5.122 10.222 -2.544 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 2115 . 7 1 2 ILE HG13 H -6.749 10.738 -2.955 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 2116 . 7 1 2 ILE HG21 H -3.477 12.476 -3.568 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 2117 . 7 1 2 ILE HG22 H -3.405 11.903 -1.901 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 2118 . 7 1 2 ILE HG23 H -3.688 13.610 -2.233 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 2119 . 7 1 2 ILE N N -6.599 13.922 -1.069 . . . 1.0 . . . . . . . . . . . . F . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 2120 . 7 1 2 ILE O O -4.363 13.400 0.371 . . . 1.0 . . . . . . . . . . . . F . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 2121 . 7 1 3 SER C C -3.223 9.469 1.187 . . . 1.0 . . . . . . . . . . . . F . 3 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 2122 . 7 1 3 SER CA C -3.761 10.881 1.369 . . . 1.0 . . . . . . . . . . . . F . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 2123 . 7 1 3 SER CB C -4.266 11.082 2.805 . . . 1.0 . . . . . . . . . . . . F . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 2124 . 7 1 3 SER H H -5.328 10.460 0.008 . . . 1.0 . . . . . . . . . . . . F . 3 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 2125 . 7 1 3 SER HA H -2.942 11.564 1.202 . . . 1.0 . . . . . . . . . . . . F . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 2126 . 7 1 3 SER HB2 H -5.088 10.406 2.984 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2127 . 7 1 3 SER HB3 H -3.470 10.861 3.495 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2128 . 7 1 3 SER HG H -4.625 12.931 2.260 . . . 1.0 . . . . . . . . . . . . F . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 2129 . 7 1 3 SER N N -4.773 11.183 0.366 . . . 1.0 . . . . . . . . . . . . F . 3 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 2130 . 7 1 3 SER O O -3.936 8.555 0.739 . . . 1.0 . . . . . . . . . . . . F . 3 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 2131 . 7 1 3 SER OG O -4.724 12.388 3.057 . . . 1.0 . . . . . . . . . . . . F . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 2132 . 7 1 4 . C C 0.090 8.187 0.862 . . . 1.0 . . . . . . . . . . . . F . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 2 . 2133 . 7 1 4 . CA C -1.291 8.029 1.440 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 2 . 2134 . 7 1 4 . CB C -1.163 7.378 2.797 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 2 . 2135 . 7 1 4 . CD C -2.342 6.002 4.498 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 2 . 2136 . 7 1 4 . CG C -2.496 7.024 3.391 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 2 . 2137 . 7 1 4 . CZ C -4.111 4.348 4.102 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 2 . 2138 . 7 1 4 . H H -1.495 10.048 1.989 . . . 1.0 . . . . . . . . . . . . F . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 2 . 2139 . 7 1 4 . HA H -1.876 7.394 0.797 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 2 . 2140 . 7 1 4 . HB2 H -0.661 8.062 3.466 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2141 . 7 1 4 . HB3 H -0.574 6.478 2.700 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2142 . 7 1 4 . HD2 H -1.984 6.502 5.386 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2143 . 7 1 4 . HD3 H -1.625 5.252 4.191 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 2144 . 7 1 4 . HE H -4.092 5.680 5.584 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 2 . 2145 . 7 1 4 . HG2 H -3.121 6.607 2.614 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2146 . 7 1 4 . HG3 H -2.952 7.914 3.789 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2147 . 7 1 4 . HH11 H -5.617 2.956 3.994 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 2 . 2148 . 7 1 4 . HH12 H -5.667 4.060 5.415 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 2 . 2149 . 7 1 4 . HH21 H -3.923 3.141 2.449 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 2 . 2150 . 7 1 4 . HH22 H -2.732 4.482 2.582 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 2 . 2151 . 7 1 4 . N N -1.969 9.300 1.568 . . . 1.0 . . . . . . . . . . . . F . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 2 . 2152 . 7 1 4 . NE N -3.611 5.364 4.791 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 2 . 2153 . 7 1 4 . NH1 N -5.215 3.750 4.529 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 2 . 2154 . 7 1 4 . NH2 N -3.544 3.957 2.968 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 2 . 2155 . 7 1 4 . O O 0.858 9.043 1.302 . . . 1.0 . . . . . . . . . . . . F . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 2 . 2156 . 7 1 5 . C C 2.178 5.979 -1.020 . . . 1.0 . . . . . . . . . . . . F . 5 28J C . . . . . . . . . c50202_6yfy 1 . 2 . 2157 . 7 1 5 . CA C 1.721 7.394 -0.712 . . . 1.0 . . . . . . . . . . . . F . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 2 . 2158 . 7 1 5 . CB C 1.782 8.277 -1.984 . . . 1.0 . . . . . . . . . . . . F . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 2 . 2159 . 7 1 5 . CD1 C 2.305 10.639 -2.813 . . . 1.0 . . . . . . . . . . . . F . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2160 . 7 1 5 . CG1 C 1.981 9.758 -1.621 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2161 . 7 1 5 . CG2 C 0.498 8.114 -2.783 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2162 . 7 1 5 . H21 H 2.398 7.817 0.021 . . . 1.0 . . . . . . . . . . . . F . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 2 . 2163 . 7 1 5 . H22 H 2.608 7.945 -2.595 . . . 1.0 . . . . . . . . . . . . F . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 2 . 2164 . 7 1 5 . H23 H -0.337 8.460 -2.190 . . . 1.0 . . . . . . . . . . . . F . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 2 . 2165 . 7 1 5 . H24 H 0.357 7.073 -3.029 . . . 1.0 . . . . . . . . . . . . F . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 2 . 2166 . 7 1 5 . H25 H 0.559 8.695 -3.689 . . . 1.0 . . . . . . . . . . . . F . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 2 . 2167 . 7 1 5 . H26 H 2.789 9.846 -0.911 . . . 1.0 . . . . . . . . . . . . F . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 2 . 2168 . 7 1 5 . H27 H 1.072 10.135 -1.174 . . . 1.0 . . . . . . . . . . . . F . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 2 . 2169 . 7 1 5 . H28 H 2.428 11.660 -2.482 . . . 1.0 . . . . . . . . . . . . F . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 2 . 2170 . 7 1 5 . H29 H 1.497 10.587 -3.528 . . . 1.0 . . . . . . . . . . . . F . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 2 . 2171 . 7 1 5 . H30 H 3.219 10.298 -3.277 . . . 1.0 . . . . . . . . . . . . F . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 2 . 2172 . 7 1 5 . N N 0.406 7.360 -0.121 . . . 1.0 . . . . . . . . . . . . F . 5 28J N . . . . . . . . . c50202_6yfy 1 . 2 . 2173 . 7 1 5 . O O 1.407 5.016 -0.916 . . . 1.0 . . . . . . . . . . . . F . 5 28J O . . . . . . . . . c50202_6yfy 1 . 2 . 2174 . 7 1 6 ILE C C 5.446 4.437 -0.982 . . . 1.0 . . . . . . . . . . . . F . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 2175 . 7 1 6 ILE CA C 4.086 4.620 -1.684 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 2176 . 7 1 6 ILE CB C 4.241 4.629 -3.225 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 2177 . 7 1 6 ILE CD1 C 5.272 3.459 -5.220 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2178 . 7 1 6 ILE CG1 C 5.108 3.486 -3.745 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2179 . 7 1 6 ILE CG2 C 4.778 5.982 -3.719 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2180 . 7 1 6 ILE H H 4.008 6.685 -1.305 . . . 1.0 . . . . . . . . . . . . F . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 2181 . 7 1 6 ILE HA H 3.428 3.811 -1.409 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 2182 . 7 1 6 ILE HB H 3.248 4.522 -3.640 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 2183 . 7 1 6 ILE HD11 H 5.796 4.344 -5.546 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2184 . 7 1 6 ILE HD12 H 4.300 3.413 -5.692 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2185 . 7 1 6 ILE HD13 H 5.841 2.585 -5.494 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2186 . 7 1 6 ILE HG12 H 6.094 3.592 -3.345 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 2187 . 7 1 6 ILE HG13 H 4.686 2.542 -3.437 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 2188 . 7 1 6 ILE HG21 H 5.754 6.163 -3.287 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 2189 . 7 1 6 ILE HG22 H 4.106 6.775 -3.420 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 2190 . 7 1 6 ILE HG23 H 4.862 5.972 -4.796 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 2191 . 7 1 6 ILE N N 3.457 5.874 -1.317 . . . 1.0 . . . . . . . . . . . . F . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 2192 . 7 1 6 ILE O O 6.197 5.401 -0.836 . . . 1.0 . . . . . . . . . . . . F . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 2 . 2193 . 7 1 7 SER C C 7.399 1.459 0.048 . . . 1.0 . . . . . . . . . . . . F . 7 SER C . . . . . . . . . c50202_6yfy 1 . 2 . 2194 . 7 1 7 SER CA C 7.019 2.927 0.163 . . . 1.0 . . . . . . . . . . . . F . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 2 . 2195 . 7 1 7 SER CB C 7.049 3.291 1.645 . . . 1.0 . . . . . . . . . . . . F . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 2 . 2196 . 7 1 7 SER H H 5.031 2.515 -0.496 . . . 1.0 . . . . . . . . . . . . F . 7 SER H . . . . . . . . . c50202_6yfy 1 . 2 . 2197 . 7 1 7 SER HA H 7.759 3.505 -0.350 . . . 1.0 . . . . . . . . . . . . F . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 2 . 2198 . 7 1 7 SER HB2 H 7.452 2.461 2.208 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2199 . 7 1 7 SER HB3 H 7.661 4.166 1.798 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2200 . 7 1 7 SER HG H 5.124 3.434 1.405 . . . 1.0 . . . . . . . . . . . . F . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 2 . 2201 . 7 1 7 SER N N 5.721 3.218 -0.471 . . . 1.0 . . . . . . . . . . . . F . 7 SER N . . . . . . . . . c50202_6yfy 1 . 2 . 2202 . 7 1 7 SER O O 6.533 0.569 -0.010 . . . 1.0 . . . . . . . . . . . . F . 7 SER O . . . . . . . . . c50202_6yfy 1 . 2 . 2203 . 7 1 7 SER OG O 5.752 3.560 2.116 . . . 1.0 . . . . . . . . . . . . F . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 2 . 2204 . 7 1 8 DTH C C 10.485 -0.154 -0.963 . . . 1.0 . . . . . . . . . . . . F . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 2 . 2205 . 7 1 8 DTH CA C 9.264 -0.135 -0.027 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 2 . 2206 . 7 1 8 DTH CB C 9.727 -0.681 1.355 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 2 . 2207 . 7 1 8 DTH CG2 C 8.614 -0.518 2.371 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2208 . 7 1 8 DTH H H 9.326 1.985 -0.015 . . . 1.0 . . . . . . . . . . . . F . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 2 . 2209 . 7 1 8 DTH HA H 8.495 -0.788 -0.410 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 2 . 2210 . 7 1 8 DTH HB H 9.984 -1.748 1.263 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 2 . 2211 . 7 1 8 DTH HG21 H 7.743 -1.071 2.051 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 2212 . 7 1 8 DTH HG22 H 8.361 0.527 2.473 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 2213 . 7 1 8 DTH HG23 H 8.945 -0.899 3.328 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 2214 . 7 1 8 DTH N N 8.714 1.221 0.031 . . . 1.0 . . . . . . . . . . . . F . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 2 . 2215 . 7 1 8 DTH O O 11.133 -1.182 -1.149 . . . 1.0 . . . . . . . . . . . . F . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 2 . 2216 . 7 1 8 DTH OG1 O 10.909 -0.005 1.803 . . . 1.0 . . . . . . . . . . . . F . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2217 . 7 1 9 ALA C C 13.244 0.883 -1.634 . . . 1.0 . . . . . . . . . . . . F . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 2218 . 7 1 9 ALA CA C 11.960 1.150 -2.414 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 2219 . 7 1 9 ALA CB C 11.989 2.536 -3.004 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 2220 . 7 1 9 ALA H H 10.205 1.775 -1.426 . . . 1.0 . . . . . . . . . . . . F . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 2 . 2221 . 7 1 9 ALA HA H 11.875 0.433 -3.220 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2222 . 7 1 9 ALA HB1 H 12.733 2.577 -3.782 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2223 . 7 1 9 ALA HB2 H 12.226 3.253 -2.234 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2224 . 7 1 9 ALA HB3 H 11.017 2.756 -3.424 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2225 . 7 1 9 ALA N N 10.792 1.006 -1.548 . . . 1.0 . . . . . . . . . . . . F . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2226 . 7 1 9 ALA O O 14.007 -0.019 -1.975 . . . 1.0 . . . . . . . . . . . . F . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2227 . 7 1 10 LEU C C 14.328 0.521 1.347 . . . 1.0 . . . . . . . . . . . . F . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 2 . 2228 . 7 1 10 LEU CA C 14.678 1.486 0.239 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 2 . 2229 . 7 1 10 LEU CB C 15.164 2.791 0.877 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 2 . 2230 . 7 1 10 LEU CD1 C 14.168 4.794 1.987 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2231 . 7 1 10 LEU CD2 C 14.742 4.939 -0.437 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2232 . 7 1 10 LEU CG C 14.269 4.024 0.695 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 2 . 2233 . 7 1 10 LEU H H 12.892 2.446 -0.408 . . . 1.0 . . . . . . . . . . . . F . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 2 . 2234 . 7 1 10 LEU HA H 15.461 1.060 -0.366 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 2 . 2235 . 7 1 10 LEU HB2 H 15.298 2.619 1.934 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2236 . 7 1 10 LEU HB3 H 16.132 3.018 0.449 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2237 . 7 1 10 LEU HD11 H 13.953 4.110 2.798 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2238 . 7 1 10 LEU HD12 H 13.371 5.520 1.914 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2239 . 7 1 10 LEU HD13 H 15.099 5.303 2.187 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2240 . 7 1 10 LEU HD21 H 15.736 5.298 -0.208 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 2 . 2241 . 7 1 10 LEU HD22 H 14.070 5.782 -0.525 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 2 . 2242 . 7 1 10 LEU HD23 H 14.762 4.394 -1.366 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 2 . 2243 . 7 1 10 LEU HG H 13.274 3.682 0.446 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 2 . 2244 . 7 1 10 LEU N N 13.498 1.692 -0.599 . . . 1.0 . . . . . . . . . . . . F . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 2 . 2245 . 7 1 10 LEU O O 14.917 -0.552 1.485 . . . 1.0 . . . . . . . . . . . . F . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 2 . 2246 . 7 1 11 ILE C C 11.652 -0.662 2.833 . . . 1.0 . . . . . . . . . . . . F . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 2 . 2247 . 7 1 11 ILE CA C 12.905 0.092 3.246 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 2 . 2248 . 7 1 11 ILE CB C 12.647 0.914 4.535 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 2 . 2249 . 7 1 11 ILE CD1 C 10.545 2.045 5.459 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 2 . 2250 . 7 1 11 ILE CG1 C 11.532 1.946 4.310 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 2 . 2251 . 7 1 11 ILE CG2 C 13.922 1.624 4.964 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2252 . 7 1 11 ILE H H 12.902 1.805 1.951 . . . 1.0 . . . . . . . . . . . . F . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 2 . 2253 . 7 1 11 ILE HA H 13.688 -0.628 3.453 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 2 . 2254 . 7 1 11 ILE HB H 12.353 0.236 5.321 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 2 . 2255 . 7 1 11 ILE HD11 H 9.882 2.881 5.294 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 2 . 2256 . 7 1 11 ILE HD12 H 11.082 2.188 6.384 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 2 . 2257 . 7 1 11 ILE HD13 H 9.966 1.134 5.517 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 2 . 2258 . 7 1 11 ILE HG12 H 11.976 2.921 4.177 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 2 . 2259 . 7 1 11 ILE HG13 H 10.980 1.684 3.419 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 2 . 2260 . 7 1 11 ILE HG21 H 14.277 2.242 4.152 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 2 . 2261 . 7 1 11 ILE HG22 H 14.674 0.893 5.216 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 2 . 2262 . 7 1 11 ILE HG23 H 13.716 2.244 5.822 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 2 . 2263 . 7 1 11 ILE N N 13.354 0.925 2.139 . . . 1.0 . . . . . . . . . . . . F . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 2 . 2264 . 8 4 1 . C1 C -9.129 -11.571 7.134 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2265 . 8 4 1 . C2 C -9.140 -12.722 8.113 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2266 . 8 4 1 . C3 C -8.866 -14.034 7.392 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2267 . 8 4 1 . C4 C -9.799 -14.176 6.181 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2268 . 8 4 1 . C5 C -9.769 -12.921 5.313 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2269 . 8 4 1 . C6 C -10.767 -12.975 4.160 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2270 . 8 4 1 . C7 C -6.857 -12.286 8.875 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2271 . 8 4 1 . C8 C -5.898 -12.040 10.019 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2272 . 8 4 1 . H1 H -8.108 -11.410 6.702 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2273 . 8 4 1 . H2 H -9.999 -12.823 8.734 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2274 . 8 4 1 . H3 H -7.826 -14.094 7.008 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2275 . 8 4 1 . H4 H -10.760 -14.538 6.615 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 2 . 2276 . 8 4 1 . H5 H -8.807 -12.762 4.819 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2277 . 8 4 1 . H61 H -11.798 -13.074 4.533 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2278 . 8 4 1 . H62 H -10.571 -13.875 3.561 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2279 . 8 4 1 . H81 H -6.214 -11.152 10.557 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2280 . 8 4 1 . H82 H -4.909 -11.876 9.636 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2281 . 8 4 1 . H83 H -5.891 -12.914 10.660 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2282 . 8 4 1 . HN2 H -8.463 -12.404 10.069 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2283 . 8 4 1 . HO3 H -8.865 -15.919 7.835 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 2 . 2284 . 8 4 1 . HO4 H -8.580 -15.063 4.920 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 2 . 2285 . 8 4 1 . HO6 H -10.088 -11.214 3.796 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2286 . 8 4 1 . N2 N -8.156 -12.491 9.153 . . . 1.0 . . . . . . . . . . . . C . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2287 . 8 4 1 . O3 O -9.078 -15.119 8.283 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2288 . 8 4 1 . O4 O -9.386 -15.288 5.392 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2289 . 8 4 1 . O5 O -10.085 -11.768 6.095 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2290 . 8 4 1 . O6 O -10.752 -11.778 3.390 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2291 . 8 4 1 . O7 O -6.411 -12.411 7.727 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2292 . 9 5 1 ALA C C -10.032 -9.682 10.937 . . . 1.0 . . . . . . . . . . . . C . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 2293 . 9 5 1 ALA CA C -9.076 -8.579 10.708 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 2294 . 9 5 1 ALA CB C -9.866 -7.289 10.708 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 2295 . 9 5 1 ALA H1 H -8.414 -9.501 8.927 . . . 1.0 . . . . . . . . . . . . C . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2296 . 9 5 1 ALA HA H -8.363 -8.527 11.539 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2297 . 9 5 1 ALA HB1 H -9.220 -6.468 10.419 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2298 . 9 5 1 ALA HB2 H -10.260 -7.098 11.705 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2299 . 9 5 1 ALA HB3 H -10.678 -7.373 10.010 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2300 . 9 5 1 ALA N N -8.360 -8.693 9.407 . . . 1.0 . . . . . . . . . . . . C . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2301 . 9 5 1 ALA O O -9.820 -10.863 10.519 . . . 1.0 . . . . . . . . . . . . C . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2302 . 9 5 2 . C C -12.324 -11.456 10.580 . . . 1.0 . . . . . . . . . . . . C . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 2 . 2303 . 9 5 2 . CA C -12.255 -10.385 11.786 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2304 . 9 5 2 . CB C -11.881 -11.492 12.840 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2305 . 9 5 2 . CD C -10.139 -13.298 13.297 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 2 . 2306 . 9 5 2 . CG C -10.371 -11.805 12.989 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 2 . 2307 . 9 5 2 . H H -11.330 -8.492 11.986 . . . 1.0 . . . . . . . . . . . . C . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 2 . 2308 . 9 5 2 . HA H -13.119 -9.741 11.952 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2309 . 9 5 2 . HB2 H -12.431 -12.401 12.512 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2310 . 9 5 2 . HB3 H -12.299 -11.176 13.747 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2311 . 9 5 2 . HG2 H -9.983 -11.230 13.766 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2312 . 9 5 2 . HG3 H -9.827 -11.571 12.063 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2313 . 9 5 2 . N N -11.171 -9.364 11.638 . . . 1.0 . . . . . . . . . . . . C . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 2 . 2314 . 9 5 2 . O O -12.376 -10.955 9.471 . . . 1.0 . . . . . . . . . . . . C . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 2 . 2315 . 9 5 2 . OE1 O -9.338 -13.613 14.189 . . . 1.0 . . . . . . . . . . . . C . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2316 . 9 5 3 LYS C C -11.493 -16.105 14.092 . . . 1.0 . . . . . . . . . . . . C . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 2 . 2317 . 9 5 3 LYS CA C -10.744 -15.605 12.806 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 2 . 2318 . 9 5 3 LYS CB C -9.305 -16.055 12.560 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 2 . 2319 . 9 5 3 LYS CD C -10.194 -17.648 10.632 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 2 . 2320 . 9 5 3 LYS CE C -11.215 -17.245 9.496 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 2 . 2321 . 9 5 3 LYS CG C -9.171 -16.539 11.100 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 2 . 2322 . 9 5 3 LYS H H -11.439 -13.837 11.943 . . . 1.0 . . . . . . . . . . . . C . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 2 . 2323 . 9 5 3 LYS HA H -11.299 -16.003 11.973 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 2 . 2324 . 9 5 3 LYS HB2 H -8.631 -15.192 12.712 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2325 . 9 5 3 LYS HB3 H -9.006 -16.844 13.230 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2326 . 9 5 3 LYS HD2 H -9.627 -18.557 10.361 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2327 . 9 5 3 LYS HD3 H -10.740 -17.851 11.467 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 2328 . 9 5 3 LYS HE2 H -10.592 -17.023 8.629 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2329 . 9 5 3 LYS HE3 H -11.889 -18.099 9.565 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 2 . 2330 . 9 5 3 LYS HG2 H -9.199 -15.662 10.469 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2331 . 9 5 3 LYS HG3 H -8.175 -16.986 10.998 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2332 . 9 5 3 LYS HZ1 H -12.031 -15.265 10.188 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 2 . 2333 . 9 5 3 LYS HZ2 H -13.130 -16.519 9.880 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 2 . 2334 . 9 5 3 LYS HZ3 H -12.417 -15.702 8.624 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 2 . 2335 . 9 5 3 LYS N N -10.841 -14.173 12.612 . . . 1.0 . . . . . . . . . . . . C . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 2 . 2336 . 9 5 3 LYS NZ N -12.288 -16.083 9.530 . . . 1.0 . . . . . . . . . . . . C . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 2 . 2337 . 9 5 3 LYS O O -11.011 -16.007 15.205 . . . 1.0 . . . . . . . . . . . . C . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 2 . 2338 . 9 5 4 DAL C C -14.785 -17.855 13.351 . . . 1.0 . . . . . . . . . . . . C . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2339 . 9 5 4 DAL CA C -13.828 -17.302 14.583 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2340 . 9 5 4 DAL CB C -13.340 -18.141 15.961 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2341 . 9 5 4 DAL H H -12.969 -16.458 12.777 . . . 1.0 . . . . . . . . . . . . C . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2342 . 9 5 4 DAL HA H -14.433 -16.747 15.300 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2343 . 9 5 4 DAL HB1 H -12.758 -18.959 15.678 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2344 . 9 5 4 DAL HB2 H -14.200 -18.463 16.560 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2345 . 9 5 4 DAL HB3 H -12.735 -17.499 16.658 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2346 . 9 5 4 DAL N N -12.755 -16.588 13.728 . . . 1.0 . . . . . . . . . . . . C . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2347 . 9 5 4 DAL O O -14.855 -19.074 13.006 . . . 1.0 . . . . . . . . . . . . C . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 2 . 2348 . 9 5 5 DAL C C -15.682 -17.711 10.497 . . . 1.0 . . . . . . . . . . . . C . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2349 . 9 5 5 DAL CA C -16.637 -17.084 11.651 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2350 . 9 5 5 DAL CB C -17.555 -18.084 12.453 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2351 . 9 5 5 DAL H H -15.439 -15.978 13.036 . . . 1.0 . . . . . . . . . . . . C . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2352 . 9 5 5 DAL HA H -17.245 -16.294 11.210 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2353 . 9 5 5 DAL HB1 H -17.613 -17.861 13.394 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2354 . 9 5 5 DAL HB2 H -17.121 -19.113 12.249 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2355 . 9 5 5 DAL HB3 H -18.544 -18.128 11.987 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2356 . 9 5 5 DAL N N -15.572 -16.913 12.740 . . . 1.0 . . . . . . . . . . . . C . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2357 . 10 3 1 . C1 C 11.658 -10.671 -7.156 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2358 . 10 3 1 . C10 C 16.059 -8.546 -8.375 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 2 . 2359 . 10 3 1 . C11 C 14.324 -6.838 -7.220 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 2 . 2360 . 10 3 1 . C2 C 12.189 -9.300 -7.572 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2361 . 10 3 1 . C3 C 12.884 -9.437 -8.957 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2362 . 10 3 1 . C4 C 13.723 -10.720 -9.094 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2363 . 10 3 1 . C5 C 12.850 -11.947 -8.823 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2364 . 10 3 1 . C6 C 13.494 -12.820 -7.748 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2365 . 10 3 1 . C7 C 10.473 -8.091 -8.727 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2366 . 10 3 1 . C8 C 9.473 -6.989 -8.802 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2367 . 10 3 1 . C9 C 14.653 -7.947 -8.267 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 2 . 2368 . 10 3 1 . H1 H 12.317 -11.152 -6.430 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2369 . 10 3 1 . H111 H 14.056 -5.873 -7.710 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 2 . 2370 . 10 3 1 . H112 H 15.167 -6.660 -6.636 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 2 . 2371 . 10 3 1 . H113 H 13.523 -7.185 -6.560 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 2 . 2372 . 10 3 1 . H2 H 12.839 -9.035 -6.695 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2373 . 10 3 1 . H3 H 12.160 -9.424 -9.761 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2374 . 10 3 1 . H4A H 14.700 -10.621 -8.592 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 2 . 2375 . 10 3 1 . H5 H 12.705 -12.532 -9.619 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2376 . 10 3 1 . H61 H 12.814 -13.685 -7.623 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2377 . 10 3 1 . H62 H 13.627 -12.350 -6.748 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2378 . 10 3 1 . H81 H 9.019 -6.976 -9.791 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2379 . 10 3 1 . H82 H 9.964 -6.049 -8.628 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2380 . 10 3 1 . H83 H 8.721 -7.152 -8.043 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2381 . 10 3 1 . H9 H 14.486 -8.882 -7.777 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 2 . 2382 . 10 3 1 . HN2 H 11.201 -7.532 -6.941 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2383 . 10 3 1 . HO6 H 14.766 -13.368 -9.239 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2384 . 10 3 1 . N2 N 11.188 -8.251 -7.619 . . . 1.0 . . . . . . . . . . . . D . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2385 . 10 3 1 . O1 O 10.408 -10.565 -6.558 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 2 . 2386 . 10 3 1 . O10 O 17.001 -7.994 -7.769 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 2 . 2387 . 10 3 1 . O3 O 13.686 -8.253 -9.284 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2388 . 10 3 1 . O4 O 14.303 -10.733 -10.415 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2389 . 10 3 1 . O5 O 11.568 -11.522 -8.325 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2390 . 10 3 1 . O6 O 14.674 -13.430 -8.256 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2391 . 10 3 1 . O7 O 10.471 -8.957 -9.605 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2392 . 11 5 1 ALA C C 17.452 -11.502 -10.254 . . . 1.0 . . . . . . . . . . . . D . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 2393 . 11 5 1 ALA CA C 17.545 -10.303 -9.365 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 2394 . 11 5 1 ALA CB C 17.997 -10.775 -7.987 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 2395 . 11 5 1 ALA H1 H 15.530 -9.854 -9.793 . . . 1.0 . . . . . . . . . . . . D . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2396 . 11 5 1 ALA HA H 18.304 -9.624 -9.751 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2397 . 11 5 1 ALA HB1 H 17.929 -9.952 -7.291 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2398 . 11 5 1 ALA HB2 H 19.028 -11.122 -8.037 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2399 . 11 5 1 ALA HB3 H 17.362 -11.578 -7.656 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2400 . 11 5 1 ALA N N 16.237 -9.610 -9.211 . . . 1.0 . . . . . . . . . . . . D . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2401 . 11 5 1 ALA O O 16.891 -11.464 -11.367 . . . 1.0 . . . . . . . . . . . . D . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2402 . 11 5 2 . C C 16.421 -14.085 -11.277 . . . 1.0 . . . . . . . . . . . . D . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 2 . 2403 . 11 5 2 . CA C 17.895 -13.943 -10.523 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2404 . 11 5 2 . CB C 18.783 -13.993 -11.746 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2405 . 11 5 2 . CD C 18.340 -12.705 -13.963 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 2 . 2406 . 11 5 2 . CG C 18.945 -12.627 -12.537 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 2 . 2407 . 11 5 2 . H H 18.485 -12.643 -8.907 . . . 1.0 . . . . . . . . . . . . D . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 2 . 2408 . 11 5 2 . HA H 18.089 -14.698 -9.761 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2409 . 11 5 2 . HB2 H 18.335 -14.753 -12.430 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2410 . 11 5 2 . HB3 H 19.682 -14.342 -11.399 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2411 . 11 5 2 . HG2 H 19.973 -12.411 -12.614 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2412 . 11 5 2 . HG3 H 18.456 -11.799 -12.015 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2413 . 11 5 2 . N N 18.071 -12.665 -9.698 . . . 1.0 . . . . . . . . . . . . D . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 2 . 2414 . 11 5 2 . O O 16.455 -14.428 -12.546 . . . 1.0 . . . . . . . . . . . . D . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 2 . 2415 . 11 5 2 . OE1 O 18.983 -13.257 -14.864 . . . 1.0 . . . . . . . . . . . . D . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2416 . 11 5 3 LYS C C 15.890 -13.631 -15.829 . . . 1.0 . . . . . . . . . . . . D . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 2 . 2417 . 11 5 3 LYS CA C 16.436 -12.218 -15.417 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 2 . 2418 . 11 5 3 LYS CB C 17.240 -11.409 -16.436 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 2 . 2419 . 11 5 3 LYS CD C 16.199 -11.068 -18.857 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 2 . 2420 . 11 5 3 LYS CE C 15.343 -12.352 -19.194 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 2 . 2421 . 11 5 3 LYS CG C 16.263 -10.626 -17.341 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 2 . 2422 . 11 5 3 LYS H H 16.700 -11.810 -13.379 . . . 1.0 . . . . . . . . . . . . D . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 2 . 2423 . 11 5 3 LYS HA H 15.563 -11.615 -15.225 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 2 . 2424 . 11 5 3 LYS HB2 H 17.880 -10.688 -15.896 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2425 . 11 5 3 LYS HB3 H 17.868 -12.036 -17.046 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2426 . 11 5 3 LYS HD2 H 15.880 -10.199 -19.462 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2427 . 11 5 3 LYS HD3 H 17.167 -11.283 -19.093 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 2428 . 11 5 3 LYS HE2 H 15.002 -12.198 -20.218 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2429 . 11 5 3 LYS HE3 H 16.061 -13.115 -18.896 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 2 . 2430 . 11 5 3 LYS HG2 H 15.293 -10.660 -16.864 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2431 . 11 5 3 LYS HG3 H 16.593 -9.582 -17.345 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2432 . 11 5 3 LYS HZ1 H 13.580 -12.158 -17.807 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 2 . 2433 . 11 5 3 LYS HZ2 H 14.379 -13.696 -17.768 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 2 . 2434 . 11 5 3 LYS HZ3 H 13.399 -13.242 -19.064 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 2 . 2435 . 11 5 3 LYS N N 17.133 -12.208 -14.138 . . . 1.0 . . . . . . . . . . . . D . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 2 . 2436 . 11 5 3 LYS NZ N 14.073 -12.897 -18.424 . . . 1.0 . . . . . . . . . . . . D . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 2 . 2437 . 11 5 3 LYS O O 16.156 -14.145 -16.901 . . . 1.0 . . . . . . . . . . . . D . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 2 . 2438 . 11 5 4 DAL C C 13.104 -15.003 -15.798 . . . 1.0 . . . . . . . . . . . . D . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2439 . 11 5 4 DAL CA C 14.279 -15.445 -14.716 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2440 . 11 5 4 DAL CB C 15.059 -16.934 -14.597 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2441 . 11 5 4 DAL H H 15.150 -13.604 -13.965 . . . 1.0 . . . . . . . . . . . . D . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2442 . 11 5 4 DAL HA H 13.818 -15.767 -13.782 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2443 . 11 5 4 DAL HB1 H 15.729 -16.909 -13.798 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2444 . 11 5 4 DAL HB2 H 15.573 -17.193 -15.531 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2445 . 11 5 4 DAL HB3 H 14.336 -17.779 -14.429 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2446 . 11 5 4 DAL N N 15.134 -14.158 -14.777 . . . 1.0 . . . . . . . . . . . . D . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2447 . 11 5 4 DAL O O 13.145 -15.283 -17.035 . . . 1.0 . . . . . . . . . . . . D . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 2 . 2448 . 11 5 5 DAL C C 11.383 -13.021 -17.140 . . . 1.0 . . . . . . . . . . . . D . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2449 . 11 5 5 DAL CA C 10.722 -13.903 -15.947 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2450 . 11 5 5 DAL CB C 10.195 -15.342 -16.314 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2451 . 11 5 5 DAL H H 12.068 -14.139 -14.303 . . . 1.0 . . . . . . . . . . . . D . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2452 . 11 5 5 DAL HA H 9.921 -13.320 -15.491 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2453 . 11 5 5 DAL HB1 H 10.418 -16.000 -15.639 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2454 . 11 5 5 DAL HB2 H 10.632 -15.568 -17.339 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2455 . 11 5 5 DAL HB3 H 9.117 -15.305 -16.501 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2456 . 11 5 5 DAL N N 12.017 -14.357 -15.268 . . . 1.0 . . . . . . . . . . . . D . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2457 . 12 4 1 . C1 C 13.371 -10.475 -11.473 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2458 . 12 4 1 . C2 C 14.064 -10.653 -12.809 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2459 . 12 4 1 . C3 C 13.102 -10.424 -13.961 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2460 . 12 4 1 . C4 C 11.815 -11.237 -13.748 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2461 . 12 4 1 . C5 C 11.243 -11.005 -12.353 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2462 . 12 4 1 . C6 C 10.013 -11.860 -12.066 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2463 . 12 4 1 . C7 C 15.050 -8.415 -12.815 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2464 . 12 4 1 . C8 C 16.285 -7.544 -12.887 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2465 . 12 4 1 . H1 H 13.099 -9.402 -11.314 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2466 . 12 4 1 . H2 H 14.606 -11.545 -12.976 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2467 . 12 4 1 . H3 H 12.808 -9.358 -14.050 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2468 . 12 4 1 . H4 H 12.091 -12.267 -14.075 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 2 . 2469 . 12 4 1 . H5 H 10.887 -9.988 -12.191 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2470 . 12 4 1 . H61 H 10.242 -12.933 -12.163 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2471 . 12 4 1 . H62 H 9.252 -11.633 -12.825 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2472 . 12 4 1 . H81 H 16.936 -7.789 -12.054 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2473 . 12 4 1 . H82 H 16.007 -6.510 -12.815 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2474 . 12 4 1 . H83 H 16.775 -7.716 -13.839 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2475 . 12 4 1 . HN2 H 16.089 -10.128 -12.885 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2476 . 12 4 1 . HO3 H 13.041 -11.095 -15.771 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 2 . 2477 . 12 4 1 . HO4 H 11.148 -11.087 -15.587 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 2 . 2478 . 12 4 1 . HO6 H 10.323 -11.410 -10.253 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2479 . 12 4 1 . N2 N 15.195 -9.748 -12.888 . . . 1.0 . . . . . . . . . . . . D . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2480 . 12 4 1 . O3 O 13.719 -10.823 -15.176 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2481 . 12 4 1 . O4 O 10.843 -10.845 -14.710 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2482 . 12 4 1 . O5 O 12.223 -11.316 -11.357 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2483 . 12 4 1 . O6 O 9.537 -11.677 -10.736 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2484 . 12 4 1 . O7 O 13.933 -7.884 -12.840 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2485 . 13 5 1 ALA C C -16.418 -0.844 -2.572 . . . 1.0 . . . . . . . . . . . . G . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 2486 . 13 5 1 ALA CA C -14.923 -1.107 -2.461 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 2487 . 13 5 1 ALA CB C -14.583 -1.268 -1.001 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 2488 . 13 5 1 ALA H1 H -14.587 0.704 -3.496 . . . 1.0 . . . . . . . . . . . . G . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2489 . 13 5 1 ALA HA H -14.660 -2.053 -2.979 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2490 . 13 5 1 ALA HB1 H -13.511 -1.194 -0.868 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2491 . 13 5 1 ALA HB2 H -14.922 -2.242 -0.649 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2492 . 13 5 1 ALA HB3 H -15.074 -0.493 -0.449 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2493 . 13 5 1 ALA N N -14.131 0.027 -3.006 . . . 1.0 . . . . . . . . . . . . G . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2494 . 13 5 1 ALA O O -17.001 -0.613 -3.648 . . . 1.0 . . . . . . . . . . . . G . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2495 . 13 5 2 . C C -18.888 0.551 -2.147 . . . 1.0 . . . . . . . . . . . . G . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 2 . 2496 . 13 5 2 . CA C -18.536 -0.671 -1.229 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2497 . 13 5 2 . CB C -19.463 -1.809 -1.875 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2498 . 13 5 2 . CD C -19.585 -2.346 -4.348 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 2 . 2499 . 13 5 2 . CG C -18.813 -2.591 -3.063 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 2 . 2500 . 13 5 2 . H H -16.589 -1.284 -0.550 . . . 1.0 . . . . . . . . . . . . G . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 2 . 2501 . 13 5 2 . HA H -18.684 -0.490 -0.165 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2502 . 13 5 2 . HB2 H -20.355 -1.331 -2.173 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2503 . 13 5 2 . HB3 H -19.709 -2.511 -1.064 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2504 . 13 5 2 . HG2 H -18.805 -3.632 -2.857 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2505 . 13 5 2 . HG3 H -17.785 -2.266 -3.208 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2506 . 13 5 2 . N N -17.090 -1.062 -1.418 . . . 1.0 . . . . . . . . . . . . G . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 2 . 2507 . 13 5 2 . O O -19.736 0.490 -2.979 . . . 1.0 . . . . . . . . . . . . G . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 2 . 2508 . 13 5 2 . OE1 O -20.472 -3.143 -4.696 . . . 1.0 . . . . . . . . . . . . G . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2509 . 13 5 3 LYS C C -21.443 -0.518 -6.017 . . . 1.0 . . . . . . . . . . . . G . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 2 . 2510 . 13 5 3 LYS CA C -19.937 -0.888 -6.244 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 2 . 2511 . 13 5 3 LYS CB C -19.559 -1.879 -7.340 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 2 . 2512 . 13 5 3 LYS CD C -20.180 -0.422 -9.466 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 2 . 2513 . 13 5 3 LYS CE C -20.485 1.103 -9.192 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 2 . 2514 . 13 5 3 LYS CG C -19.064 -1.097 -8.576 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 2 . 2515 . 13 5 3 LYS H H -18.573 -0.720 -4.691 . . . 1.0 . . . . . . . . . . . . G . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 2 . 2516 . 13 5 3 LYS HA H -19.442 0.031 -6.515 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 2 . 2517 . 13 5 3 LYS HB2 H -18.734 -2.518 -6.971 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2518 . 13 5 3 LYS HB3 H -20.384 -2.508 -7.618 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2519 . 13 5 3 LYS HD2 H -19.939 -0.603 -10.529 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2520 . 13 5 3 LYS HD3 H -21.027 -0.942 -9.239 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 2521 . 13 5 3 LYS HE2 H -19.556 1.503 -8.785 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2522 . 13 5 3 LYS HE3 H -20.892 1.370 -10.167 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 2 . 2523 . 13 5 3 LYS HG2 H -18.328 -0.386 -8.233 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2524 . 13 5 3 LYS HG3 H -18.551 -1.813 -9.229 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2525 . 13 5 3 LYS HZ1 H -22.424 2.182 -8.827 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 2 . 2526 . 13 5 3 LYS HZ2 H -21.159 2.422 -7.727 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 2 . 2527 . 13 5 3 LYS HZ3 H -22.028 1.009 -7.712 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 2 . 2528 . 13 5 3 LYS N N -19.279 -1.267 -5.020 . . . 1.0 . . . . . . . . . . . . G . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 2 . 2529 . 13 5 3 LYS NZ N -21.622 1.713 -8.278 . . . 1.0 . . . . . . . . . . . . G . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 2 . 2530 . 13 5 3 LYS O O -22.280 -0.647 -6.889 . . . 1.0 . . . . . . . . . . . . G . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 2 . 2531 . 13 5 4 DAL C C -22.603 2.042 -4.288 . . . 1.0 . . . . . . . . . . . . G . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2532 . 13 5 4 DAL CA C -22.874 0.440 -3.980 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2533 . 13 5 4 DAL CB C -24.333 -0.399 -4.105 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2534 . 13 5 4 DAL H H -20.816 -0.235 -4.128 . . . 1.0 . . . . . . . . . . . . G . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2535 . 13 5 4 DAL HA H -23.036 0.289 -2.913 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2536 . 13 5 4 DAL HB1 H -24.657 -0.380 -5.097 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2537 . 13 5 4 DAL HB2 H -25.096 0.022 -3.439 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2538 . 13 5 4 DAL HB3 H -24.238 -1.471 -3.782 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2539 . 13 5 4 DAL N N -21.624 -0.133 -4.682 . . . 1.0 . . . . . . . . . . . . G . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2540 . 13 5 4 DAL O O -23.504 2.848 -4.676 . . . 1.0 . . . . . . . . . . . . G . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 2 . 2541 . 13 5 5 DAL C C -21.138 4.223 -5.665 . . . 1.0 . . . . . . . . . . . . G . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2542 . 13 5 5 DAL CA C -20.760 3.907 -4.117 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2543 . 13 5 5 DAL CB C -21.681 4.532 -3.002 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2544 . 13 5 5 DAL H H -20.672 1.798 -3.775 . . . 1.0 . . . . . . . . . . . . G . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2545 . 13 5 5 DAL HA H -19.723 4.198 -3.946 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2546 . 13 5 5 DAL HB1 H -21.866 3.911 -2.283 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2547 . 13 5 5 DAL HB2 H -22.611 4.891 -3.550 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2548 . 13 5 5 DAL HB3 H -21.233 5.458 -2.630 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2549 . 13 5 5 DAL N N -21.331 2.489 -4.041 . . . 1.0 . . . . . . . . . . . . G . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2550 . 14 3 1 . C1 C -12.760 4.856 -1.562 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2551 . 14 3 1 . C10 C -12.768 0.052 -2.949 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 2 . 2552 . 14 3 1 . C11 C -10.477 1.387 -3.447 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 2 . 2553 . 14 3 1 . C2 C -12.151 4.028 -2.687 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2554 . 14 3 1 . C3 C -13.283 3.350 -3.500 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2555 . 14 3 1 . C4 C -14.447 2.916 -2.618 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2556 . 14 3 1 . C5 C -15.056 4.116 -1.896 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2557 . 14 3 1 . C6 C -15.398 3.792 -0.448 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2558 . 14 3 1 . C7 C -11.782 5.346 -4.669 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2559 . 14 3 1 . C8 C -10.876 6.120 -5.562 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2560 . 14 3 1 . C9 C -12.036 1.285 -3.490 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 2 . 2561 . 14 3 1 . H1 H -12.793 4.298 -0.625 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2562 . 14 3 1 . H111 H -10.040 1.447 -4.474 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 2 . 2563 . 14 3 1 . H112 H -10.089 0.528 -3.002 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 2 . 2564 . 14 3 1 . H113 H -10.183 2.247 -2.840 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 2 . 2565 . 14 3 1 . H2 H -11.446 3.355 -2.145 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2566 . 14 3 1 . H3 H -13.644 3.987 -4.284 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2567 . 14 3 1 . H4A H -14.193 2.003 -2.057 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 2 . 2568 . 14 3 1 . H5 H -15.910 4.407 -2.289 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2569 . 14 3 1 . H61 H -15.919 4.699 -0.060 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2570 . 14 3 1 . H62 H -14.509 3.598 0.196 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2571 . 14 3 1 . H81 H -10.436 5.455 -6.302 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2572 . 14 3 1 . H82 H -10.091 6.561 -4.974 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2573 . 14 3 1 . H83 H -11.446 6.901 -6.046 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2574 . 14 3 1 . H9 H -12.388 1.708 -2.567 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 2 . 2575 . 14 3 1 . HN2 H -10.322 4.859 -3.382 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2576 . 14 3 1 . HO6 H -16.766 2.614 -1.291 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2577 . 14 3 1 . N2 N -11.288 4.796 -3.566 . . . 1.0 . . . . . . . . . . . . G . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2578 . 14 3 1 . O1 O -12.019 6.024 -1.396 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 2 . 2579 . 14 3 1 . O10 O -12.096 -0.928 -2.580 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 2 . 2580 . 14 3 1 . O3 O -12.771 2.228 -4.289 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2581 . 14 3 1 . O4 O -15.418 2.222 -3.432 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2582 . 14 3 1 . O5 O -14.124 5.213 -1.908 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2583 . 14 3 1 . O6 O -16.390 2.779 -0.390 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2584 . 14 3 1 . O7 O -12.980 5.251 -4.948 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2585 . 15 5 1 ALA C C 13.205 10.981 5.865 . . . 1.0 . . . . . . . . . . . . H . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 2 . 2586 . 15 5 1 ALA CA C 11.760 10.745 6.169 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 2 . 2587 . 15 5 1 ALA CB C 11.670 9.493 7.005 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 2 . 2588 . 15 5 1 ALA H1 H 11.333 10.767 4.103 . . . 1.0 . . . . . . . . . . . . H . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2589 . 15 5 1 ALA HA H 11.359 11.574 6.772 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 2 . 2590 . 15 5 1 ALA HB1 H 10.629 9.225 7.144 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2591 . 15 5 1 ALA HB2 H 12.126 9.662 7.981 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2592 . 15 5 1 ALA HB3 H 12.184 8.697 6.502 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2593 . 15 5 1 ALA N N 10.949 10.555 4.937 . . . 1.0 . . . . . . . . . . . . H . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 2 . 2594 . 15 5 1 ALA O O 13.564 11.774 4.937 . . . 1.0 . . . . . . . . . . . . H . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 2 . 2595 . 15 5 2 . C C 16.012 10.500 4.811 . . . 1.0 . . . . . . . . . . . . H . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 2 . 2596 . 15 5 2 . CA C 15.553 10.412 6.299 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2597 . 15 5 2 . CB C 16.175 11.848 6.673 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2598 . 15 5 2 . CD C 15.376 14.196 6.015 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 2 . 2599 . 15 5 2 . CG C 15.178 13.009 6.980 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 2 . 2600 . 15 5 2 . H H 13.861 9.777 7.408 . . . 1.0 . . . . . . . . . . . . H . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 2 . 2601 . 15 5 2 . HA H 15.846 9.473 6.766 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2602 . 15 5 2 . HB2 H 16.788 12.110 5.781 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2603 . 15 5 2 . HB3 H 16.837 11.693 7.471 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2604 . 15 5 2 . HG2 H 15.334 13.333 7.959 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2605 . 15 5 2 . HG3 H 14.138 12.670 6.879 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2606 . 15 5 2 . N N 14.151 10.330 6.705 . . . 1.0 . . . . . . . . . . . . H . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 2 . 2607 . 15 5 2 . O O 15.508 9.575 4.095 . . . 1.0 . . . . . . . . . . . . H . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 2 . 2608 . 15 5 2 . OE1 O 15.720 15.299 6.469 . . . 1.0 . . . . . . . . . . . . H . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 2 . 2609 . 15 5 3 LYS C C 16.868 15.373 3.476 . . . 1.0 . . . . . . . . . . . . H . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 2 . 2610 . 15 5 3 LYS CA C 15.368 14.977 3.708 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 2 . 2611 . 15 5 3 LYS CB C 14.325 16.077 3.899 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 2 . 2612 . 15 5 3 LYS CD C 14.350 18.363 2.548 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 2 . 2613 . 15 5 3 LYS CE C 15.595 18.887 1.729 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 2 . 2614 . 15 5 3 LYS CG C 14.104 16.802 2.554 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 2 . 2615 . 15 5 3 LYS H H 14.936 13.085 4.473 . . . 1.0 . . . . . . . . . . . . H . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 2 . 2616 . 15 5 3 LYS HA H 15.062 14.464 2.809 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 2 . 2617 . 15 5 3 LYS HB2 H 13.372 15.614 4.214 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2618 . 15 5 3 LYS HB3 H 14.623 16.792 4.647 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2619 . 15 5 3 LYS HD2 H 13.417 18.864 2.232 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 2 . 2620 . 15 5 3 LYS HD3 H 14.519 18.591 3.528 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 2 . 2621 . 15 5 3 LYS HE2 H 15.187 19.182 0.762 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 2 . 2622 . 15 5 3 LYS HE3 H 15.997 19.585 2.464 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 2 . 2623 . 15 5 3 LYS HG2 H 14.704 16.290 1.814 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 2 . 2624 . 15 5 3 LYS HG3 H 13.053 16.662 2.280 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 2 . 2625 . 15 5 3 LYS HZ1 H 17.692 18.716 0.932 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 2 . 2626 . 15 5 3 LYS HZ2 H 16.695 17.320 0.682 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 2 . 2627 . 15 5 3 LYS HZ3 H 17.315 17.705 2.203 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 2 . 2628 . 15 5 3 LYS N N 15.201 13.967 4.734 . . . 1.0 . . . . . . . . . . . . H . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 2 . 2629 . 15 5 3 LYS NZ N 16.925 18.104 1.385 . . . 1.0 . . . . . . . . . . . . H . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 2 . 2630 . 15 5 3 LYS O O 17.249 16.529 3.511 . . . 1.0 . . . . . . . . . . . . H . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 2 . 2631 . 15 5 4 DAL C C 19.122 15.001 1.566 . . . 1.0 . . . . . . . . . . . . H . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2632 . 15 5 4 DAL CA C 19.117 14.047 2.918 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2633 . 15 5 4 DAL CB C 20.268 14.001 4.149 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2634 . 15 5 4 DAL H H 17.115 13.383 3.429 . . . 1.0 . . . . . . . . . . . . H . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2635 . 15 5 4 DAL HA H 19.530 13.067 2.679 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2636 . 15 5 4 DAL HB1 H 20.284 14.920 4.642 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2637 . 15 5 4 DAL HB2 H 21.263 13.752 3.757 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2638 . 15 5 4 DAL HB3 H 20.053 13.196 4.903 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2639 . 15 5 4 DAL N N 17.629 14.211 3.301 . . . 1.0 . . . . . . . . . . . . H . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2640 . 15 5 4 DAL O O 19.495 16.215 1.561 . . . 1.0 . . . . . . . . . . . . H . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 2 . 2641 . 15 5 5 DAL C C 17.899 16.287 -0.757 . . . 1.0 . . . . . . . . . . . . H . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 2 . 2642 . 15 5 5 DAL CA C 18.740 14.924 -1.031 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 2 . 2643 . 15 5 5 DAL CB C 20.303 15.053 -1.192 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 2 . 2644 . 15 5 5 DAL H H 18.440 13.446 0.485 . . . 1.0 . . . . . . . . . . . . H . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 2 . 2645 . 15 5 5 DAL HA H 18.319 14.428 -1.905 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 2 . 2646 . 15 5 5 DAL HB1 H 20.778 14.324 -0.768 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 2 . 2647 . 15 5 5 DAL HB2 H 20.562 16.078 -0.774 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 2 . 2648 . 15 5 5 DAL HB3 H 20.559 15.139 -2.253 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 2 . 2649 . 15 5 5 DAL N N 18.753 14.382 0.401 . . . 1.0 . . . . . . . . . . . . H . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 2 . 2650 . 16 4 1 . C1 C -15.808 2.928 -4.620 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2651 . 16 4 1 . C2 C -16.866 2.121 -5.341 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2652 . 16 4 1 . C3 C -17.361 2.836 -6.586 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2653 . 16 4 1 . C4 C -17.716 4.293 -6.253 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2654 . 16 4 1 . C5 C -16.581 4.972 -5.497 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2655 . 16 4 1 . C6 C -16.906 6.405 -5.083 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2656 . 16 4 1 . C7 C -15.318 0.639 -6.504 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2657 . 16 4 1 . C8 C -14.829 -0.764 -6.779 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2658 . 16 4 1 . H1 H -14.856 2.974 -5.214 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2659 . 16 4 1 . H2 H -17.700 1.773 -4.807 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2660 . 16 4 1 . H3 H -16.592 2.866 -7.382 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2661 . 16 4 1 . H4 H -18.738 4.244 -5.813 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 2 . 2662 . 16 4 1 . H5 H -15.673 5.083 -6.090 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2663 . 16 4 1 . H61 H -17.826 6.435 -4.477 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2664 . 16 4 1 . H62 H -17.129 6.994 -5.983 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2665 . 16 4 1 . H81 H -14.019 -0.716 -7.499 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2666 . 16 4 1 . H82 H -15.626 -1.351 -7.194 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2667 . 16 4 1 . H83 H -14.508 -1.208 -5.845 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2668 . 16 4 1 . HN2 H -16.698 0.039 -5.184 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2669 . 16 4 1 . HO3 H -19.271 2.627 -6.765 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 2 . 2670 . 16 4 1 . HO4 H -18.729 4.661 -7.900 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 2 . 2671 . 16 4 1 . HO6 H -15.343 6.219 -4.004 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2672 . 16 4 1 . N2 N -16.348 0.807 -5.665 . . . 1.0 . . . . . . . . . . . . G . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2673 . 16 4 1 . O3 O -18.512 2.173 -7.085 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2674 . 16 4 1 . O4 O -17.951 5.009 -7.461 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2675 . 16 4 1 . O5 O -16.265 4.243 -4.310 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2676 . 16 4 1 . O6 O -15.886 6.970 -4.264 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2677 . 16 4 1 . O7 O -14.855 1.582 -7.157 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2678 . 17 6 1 . O1P O -12.263 -7.404 3.197 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2679 . 17 6 1 . O2P O -11.568 -4.978 3.398 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2680 . 17 6 1 . O3P O -10.883 -6.340 1.423 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2681 . 17 6 1 . P P -11.231 -6.355 2.973 . . . 1.0 . . . . . . . . . . . . A . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2682 . 18 3 1 . C1 C 10.361 6.624 2.153 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2683 . 18 3 1 . C10 C 9.619 10.224 4.990 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 2 . 2684 . 18 3 1 . C11 C 7.349 9.672 3.636 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 2 . 2685 . 18 3 1 . C2 C 9.460 7.834 1.945 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2686 . 18 3 1 . C3 C 10.322 9.132 1.950 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2687 . 18 3 1 . C4 C 11.604 8.982 2.781 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2688 . 18 3 1 . C5 C 12.481 7.851 2.256 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2689 . 18 3 1 . C6 C 13.192 7.126 3.392 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2690 . 18 3 1 . C7 C 9.134 8.337 -0.382 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2691 . 18 3 1 . C8 C 8.330 8.259 -1.634 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2692 . 18 3 1 . C9 C 8.877 9.990 3.668 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 2 . 2693 . 18 3 1 . H1 H 10.495 6.390 3.208 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2694 . 18 3 1 . H111 H 6.771 10.475 3.120 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 2 . 2695 . 18 3 1 . H112 H 6.991 9.619 4.613 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 2 . 2696 . 18 3 1 . H113 H 7.190 8.700 3.162 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 2 . 2697 . 18 3 1 . H2 H 8.730 7.693 2.779 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2698 . 18 3 1 . H3 H 10.576 9.447 0.947 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2699 . 18 3 1 . H4A H 11.358 9.035 3.853 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 2 . 2700 . 18 3 1 . H5 H 13.216 8.179 1.642 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2701 . 18 3 1 . H61 H 14.193 6.865 2.990 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2702 . 18 3 1 . H62 H 12.721 6.176 3.718 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2703 . 18 3 1 . H81 H 8.046 7.227 -1.822 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2704 . 18 3 1 . H82 H 8.919 8.620 -2.460 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2705 . 18 3 1 . H83 H 7.452 8.879 -1.521 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2706 . 18 3 1 . H9 H 9.376 9.052 3.771 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 2 . 2707 . 18 3 1 . HN2 H 7.819 7.272 0.698 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2708 . 18 3 1 . HO6 H 14.250 8.640 4.215 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2709 . 18 3 1 . N2 N 8.681 7.753 0.724 . . . 1.0 . . . . . . . . . . . . H . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2710 . 18 3 1 . O1 O 9.803 5.523 1.509 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 2 . 2711 . 18 3 1 . O10 O 8.969 10.204 6.052 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 2 . 2712 . 18 3 1 . O3 O 9.551 10.280 2.431 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2713 . 18 3 1 . O4 O 12.306 10.243 2.841 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2714 . 18 3 1 . O5 O 11.661 6.890 1.554 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2715 . 18 3 1 . O6 O 13.490 8.035 4.439 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2716 . 18 3 1 . O7 O 10.185 8.983 -0.372 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2717 . 19 6 1 . O1P O -9.354 -4.390 1.105 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2718 . 19 6 1 . O2P O -8.426 -6.689 1.706 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2719 . 19 6 1 . O3P O -9.368 -6.256 -0.559 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2720 . 19 6 1 . P P -9.425 -5.864 0.986 . . . 1.0 . . . . . . . . . . . . A . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2721 . 20 4 1 . C1 C 12.526 10.866 1.569 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2722 . 20 4 1 . C2 C 13.239 12.169 1.781 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2723 . 20 4 1 . C3 C 13.463 12.868 0.446 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2724 . 20 4 1 . C4 C 14.127 11.905 -0.549 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2725 . 20 4 1 . C5 C 13.381 10.575 -0.608 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2726 . 20 4 1 . C6 C 14.077 9.545 -1.489 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 2 . 2727 . 20 4 1 . C7 C 11.214 13.395 2.392 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 2 . 2728 . 20 4 1 . C8 C 10.474 14.258 3.391 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 2 . 2729 . 20 4 1 . H1 H 11.488 11.013 1.177 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 2 . 2730 . 20 4 1 . H2 H 14.147 12.149 2.333 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2731 . 20 4 1 . H3 H 12.512 13.204 -0.015 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 2 . 2732 . 20 4 1 . H4 H 15.208 11.933 -0.278 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 2 . 2733 . 20 4 1 . H5 H 12.383 10.656 -1.044 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 2 . 2734 . 20 4 1 . H61 H 15.119 9.389 -1.164 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 2 . 2735 . 20 4 1 . H62 H 14.128 9.929 -2.516 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 2 . 2736 . 20 4 1 . H81 H 9.479 14.462 3.010 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 2 . 2737 . 20 4 1 . H82 H 10.992 15.190 3.518 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 2 . 2738 . 20 4 1 . H83 H 10.439 13.737 4.340 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 2 . 2739 . 20 4 1 . HN2 H 12.843 13.225 3.546 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 2 . 2740 . 20 4 1 . HO3 H 15.129 13.707 0.967 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 2 . 2741 . 20 4 1 . HO4 H 14.379 13.412 -1.784 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 2 . 2742 . 20 4 1 . HO6 H 12.667 8.408 -0.875 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 2 . 2743 . 20 4 1 . N2 N 12.467 13.007 2.678 . . . 1.0 . . . . . . . . . . . . H . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 2 . 2744 . 20 4 1 . O3 O 14.297 14.001 0.636 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 2 . 2745 . 20 4 1 . O4 O 14.122 12.488 -1.848 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 2 . 2746 . 20 4 1 . O5 O 13.268 10.012 0.701 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 2 . 2747 . 20 4 1 . O6 O 13.457 8.267 -1.402 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 2 . 2748 . 20 4 1 . O7 O 10.697 13.165 1.292 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 2 . 2749 . 21 2 1 . C1 C -10.475 -5.974 -1.410 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2750 . 21 2 1 . C2 C -9.964 -5.708 -2.804 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2751 . 21 2 1 . C3 C -10.718 -5.452 -3.881 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2752 . 21 2 1 . C4 C -10.043 -5.190 -5.206 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2753 . 21 2 1 . C5 C -12.243 -5.380 -3.862 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2754 . 21 2 1 . H11 H -11.139 -6.825 -1.417 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2755 . 21 2 1 . H12 H -11.002 -5.105 -1.038 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2756 . 21 2 1 . H2 H -8.925 -5.430 -2.838 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2757 . 21 2 1 . H42 H -10.658 -5.623 -5.974 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2758 . 21 2 1 . H43 H -9.072 -5.650 -5.213 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2759 . 21 2 1 . H51 H -12.590 -4.866 -4.747 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2760 . 21 2 1 . H52 H -12.560 -4.847 -2.981 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2761 . 21 2 1 . H53 H -12.647 -6.383 -3.846 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2762 . 22 2 1 . C1 C -9.912 -3.710 -5.517 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2763 . 22 2 1 . C2 C -9.623 -3.546 -6.975 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2764 . 22 2 1 . C3 C -8.545 -2.911 -7.436 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2765 . 22 2 1 . C4 C -8.279 -2.711 -8.903 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2766 . 22 2 1 . C5 C -7.450 -2.361 -6.523 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2767 . 22 2 1 . H11 H -9.100 -3.293 -4.935 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2768 . 22 2 1 . H12 H -10.833 -3.223 -5.267 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2769 . 22 2 1 . H2 H -10.478 -3.701 -7.617 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2770 . 22 2 1 . H42 H -8.473 -3.632 -9.435 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2771 . 22 2 1 . H43 H -7.250 -2.420 -9.043 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2772 . 22 2 1 . H51 H -6.971 -3.180 -6.017 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2773 . 22 2 1 . H52 H -7.893 -1.693 -5.800 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2774 . 22 2 1 . H53 H -6.721 -1.825 -7.108 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2775 . 23 2 1 . C1 C 3.219 -9.523 -8.237 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2776 . 23 2 1 . C2 C 2.455 -8.845 -9.352 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2777 . 23 2 1 . C3 C 2.107 -9.457 -10.506 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2778 . 23 2 1 . C4 C 1.351 -8.762 -11.611 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2779 . 23 2 1 . C5 C 2.418 -10.920 -10.810 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2780 . 23 2 1 . H11 H 2.612 -9.523 -7.342 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2781 . 23 2 1 . H12 H 3.450 -10.535 -8.516 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2782 . 23 2 1 . H2 H 2.417 -7.768 -9.276 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2783 . 23 2 1 . H42 H 0.977 -7.813 -11.254 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2784 . 23 2 1 . H43 H 0.525 -9.381 -11.928 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2785 . 23 2 1 . H51 H 1.885 -11.544 -10.111 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2786 . 23 2 1 . H52 H 3.482 -11.086 -10.708 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2787 . 23 2 1 . H53 H 2.110 -11.158 -11.814 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2788 . 24 2 1 . C1 C -9.184 -1.611 -9.477 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2789 . 24 2 1 . C2 C -8.657 -0.239 -9.150 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2790 . 24 2 1 . C3 C -8.138 0.632 -10.044 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2791 . 24 2 1 . C4 C -7.633 2.024 -9.647 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2792 . 24 2 1 . C5 C -7.997 0.321 -11.527 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2793 . 24 2 1 . H11 H -10.176 -1.716 -9.055 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2794 . 24 2 1 . H12 H -9.239 -1.720 -10.546 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2795 . 24 2 1 . H2 H -8.713 0.020 -8.102 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2796 . 24 2 1 . H41 H -6.574 1.977 -9.424 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 2 . 2797 . 24 2 1 . H42 H -8.167 2.358 -8.770 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2798 . 24 2 1 . H43 H -7.798 2.717 -10.459 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2799 . 24 2 1 . H51 H -7.337 1.044 -11.979 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2800 . 24 2 1 . H52 H -8.965 0.374 -11.992 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2801 . 24 2 1 . H53 H -7.588 -0.672 -11.655 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2802 . 25 2 1 . C1 C 2.259 -8.509 -12.817 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2803 . 25 2 1 . C2 C 1.832 -7.273 -13.556 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2804 . 25 2 1 . C3 C 2.631 -6.222 -13.838 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2805 . 25 2 1 . C4 C 2.137 -4.990 -14.603 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2806 . 25 2 1 . C5 C 4.098 -6.157 -13.431 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2807 . 25 2 1 . H11 H 2.206 -9.359 -13.483 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2808 . 25 2 1 . H12 H 3.272 -8.384 -12.475 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2809 . 25 2 1 . H2 H 0.791 -7.265 -13.844 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2810 . 25 2 1 . H41 H 1.137 -4.734 -14.271 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 2 . 2811 . 25 2 1 . H42 H 2.118 -5.212 -15.658 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2812 . 25 2 1 . H43 H 2.800 -4.157 -14.418 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2813 . 25 2 1 . H51 H 4.584 -5.367 -13.981 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2814 . 25 2 1 . H52 H 4.568 -7.098 -13.658 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2815 . 25 2 1 . H53 H 4.176 -5.962 -12.371 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2816 . 26 6 1 . O1P O 8.862 -12.125 -5.349 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2817 . 26 6 1 . O2P O 11.342 -12.132 -4.821 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2818 . 26 6 1 . O3P O 9.889 -10.215 -4.070 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2819 . 26 6 1 . P P 10.122 -11.359 -5.184 . . . 1.0 . . . . . . . . . . . . B . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2820 . 27 6 1 . O1P O 9.769 -7.856 -3.258 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2821 . 27 6 1 . O2P O 9.760 -8.331 -5.752 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2822 . 27 6 1 . O3P O 7.760 -8.856 -4.336 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2823 . 27 6 1 . P P 9.343 -8.731 -4.379 . . . 1.0 . . . . . . . . . . . . B . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2824 . 28 2 1 . C1 C 7.107 -9.822 -5.168 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2825 . 28 2 1 . C2 C 6.114 -9.120 -6.074 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2826 . 28 2 1 . C3 C 5.501 -9.646 -7.150 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2827 . 28 2 1 . C4 C 4.531 -8.790 -7.938 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2828 . 28 2 1 . C5 C 5.684 -11.088 -7.646 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2829 . 28 2 1 . H11 H 7.848 -10.325 -5.767 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2830 . 28 2 1 . H12 H 6.593 -10.540 -4.544 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2831 . 28 2 1 . H2 H 5.653 -8.268 -5.622 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2832 . 28 2 1 . H42 H 4.996 -8.518 -8.880 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2833 . 28 2 1 . H43 H 4.315 -7.896 -7.378 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2834 . 28 2 1 . H51 H 6.739 -11.306 -7.746 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2835 . 28 2 1 . H52 H 5.201 -11.197 -8.605 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2836 . 28 2 1 . H53 H 5.236 -11.773 -6.939 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2837 . 29 6 1 . O1P O -12.318 7.215 0.817 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2838 . 29 6 1 . O2P O -10.857 5.162 0.672 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2839 . 29 6 1 . O3P O -10.101 7.302 -0.333 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2840 . 29 6 1 . P P -11.355 6.394 0.042 . . . 1.0 . . . . . . . . . . . . E . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2841 . 30 6 1 . O1P O -8.586 8.623 -1.826 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2842 . 30 6 1 . O2P O -9.844 6.546 -2.696 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2843 . 30 6 1 . O3P O -11.127 8.611 -2.160 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2844 . 30 6 1 . P P -9.824 7.747 -1.836 . . . 1.0 . . . . . . . . . . . . E . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2845 . 31 2 1 . C1 C -11.076 9.747 -3.011 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2846 . 31 2 1 . C2 C -10.685 9.344 -4.416 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2847 . 31 2 1 . C3 C -10.140 10.189 -5.303 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2848 . 31 2 1 . C4 C -9.741 9.760 -6.704 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2849 . 31 2 1 . C5 C -9.894 11.647 -4.980 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2850 . 31 2 1 . H11 H -12.048 10.212 -3.019 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2851 . 31 2 1 . H12 H -10.352 10.446 -2.621 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2852 . 31 2 1 . H2 H -10.521 8.293 -4.539 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2853 . 31 2 1 . H42 H -9.946 8.703 -6.830 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2854 . 31 2 1 . H43 H -8.684 9.937 -6.838 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2855 . 31 2 1 . H51 H -9.364 12.104 -5.801 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2856 . 31 2 1 . H52 H -9.310 11.715 -4.080 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2857 . 31 2 1 . H53 H -10.843 12.145 -4.843 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2858 . 32 6 1 . O1P O 11.754 4.015 2.261 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2859 . 32 6 1 . O2P O 9.547 3.021 1.560 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2860 . 32 6 1 . O3P O 11.065 4.083 -0.137 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2861 . 32 6 1 . P P 10.559 4.081 1.378 . . . 1.0 . . . . . . . . . . . . F . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2862 . 33 6 1 . O1P O 9.314 3.259 -1.714 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 2 . 2863 . 33 6 1 . O2P O 9.288 5.673 -0.909 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 2 . 2864 . 33 6 1 . O3P O 11.026 4.912 -2.526 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 2 . 2865 . 33 6 1 . P P 10.057 4.481 -1.324 . . . 1.0 . . . . . . . . . . . . F . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 2 . 2866 . 34 2 1 . C1 C 10.870 6.171 -3.208 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2867 . 34 2 1 . C2 C 9.617 6.148 -4.060 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2868 . 34 2 1 . C3 C 9.416 5.390 -5.163 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2869 . 34 2 1 . C4 C 8.089 5.470 -5.892 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2870 . 34 2 1 . C5 C 10.441 4.412 -5.734 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2871 . 34 2 1 . H11 H 10.793 6.958 -2.469 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2872 . 34 2 1 . H12 H 11.734 6.349 -3.834 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2873 . 34 2 1 . H2 H 8.756 6.564 -3.570 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2874 . 34 2 1 . H42 H 7.379 5.908 -5.221 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2875 . 34 2 1 . H43 H 7.769 4.479 -6.163 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2876 . 34 2 1 . H51 H 10.783 4.771 -6.694 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2877 . 34 2 1 . H52 H 9.981 3.444 -5.849 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2878 . 34 2 1 . H53 H 11.281 4.338 -5.057 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2879 . 35 2 1 . C1 C -10.518 10.557 -7.763 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2880 . 35 2 1 . C2 C -10.801 9.702 -8.981 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2881 . 35 2 1 . C3 C -9.893 9.469 -9.959 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2882 . 35 2 1 . C4 C -10.185 8.624 -11.176 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2883 . 35 2 1 . C5 C -8.467 10.015 -9.926 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2884 . 35 2 1 . H11 H -9.935 11.419 -8.058 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2885 . 35 2 1 . H12 H -11.445 10.882 -7.329 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2886 . 35 2 1 . H2 H -11.852 9.556 -9.177 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2887 . 35 2 1 . H42 H -10.720 7.736 -10.877 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2888 . 35 2 1 . H43 H -9.255 8.345 -11.648 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2889 . 35 2 1 . H51 H -8.087 10.068 -10.933 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2890 . 35 2 1 . H52 H -7.844 9.355 -9.338 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2891 . 35 2 1 . H53 H -8.463 10.999 -9.486 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 2 . 2892 . 36 2 1 . C1 C 8.141 6.348 -7.138 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 2 . 2893 . 36 2 1 . C2 C 8.028 7.784 -6.737 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 2 . 2894 . 36 2 1 . C3 C 8.986 8.684 -6.965 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 2 . 2895 . 36 2 1 . C4 C 8.882 10.118 -6.526 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 2 . 2896 . 36 2 1 . C5 C 10.268 8.357 -7.729 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 2 . 2897 . 36 2 1 . H11 H 7.316 6.089 -7.793 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 2 . 2898 . 36 2 1 . H12 H 9.072 6.180 -7.639 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 2 . 2899 . 36 2 1 . H2 H 7.236 7.993 -6.032 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 2 . 2900 . 36 2 1 . H42 H 7.848 10.432 -6.556 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 2 . 2901 . 36 2 1 . H43 H 9.469 10.736 -7.185 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 2 . 2902 . 36 2 1 . H51 H 10.755 7.522 -7.257 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 2 . 2903 . 36 2 1 . H52 H 10.922 9.219 -7.712 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 2 . 2904 . 36 2 1 . H53 H 10.031 8.107 -8.750 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 2905 . 1 1 1 . C C 6.719 -13.657 -3.538 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 3 . 2906 . 1 1 1 . C10 C 7.609 -15.836 -1.678 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 3 . 2907 . 1 1 1 . CA C 7.290 -15.003 -3.972 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 3 . 2908 . 1 1 1 . CB C 8.806 -14.873 -4.189 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 3 . 2909 . 1 1 1 . CD1 C 9.253 -14.907 -6.675 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 2910 . 1 1 1 . CD2 C 9.426 -12.819 -5.526 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 2911 . 1 1 1 . CE1 C 9.656 -14.293 -7.851 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 3 . 2912 . 1 1 1 . CE2 C 9.827 -12.203 -6.701 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 3 . 2913 . 1 1 1 . CG C 9.209 -14.192 -5.483 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 3 . 2914 . 1 1 1 . CZ C 9.868 -12.927 -7.878 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 3 . 2915 . 1 1 1 . H H 7.298 -16.996 -3.334 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 3 . 2916 . 1 1 1 . H11 H 7.341 -16.625 -0.987 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 3 . 2917 . 1 1 1 . H12 H 7.279 -14.886 -1.284 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 3 . 2918 . 1 1 1 . H13 H 8.684 -15.819 -1.803 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 3 . 2919 . 1 1 1 . HA H 6.832 -15.275 -4.915 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 3 . 2920 . 1 1 1 . HB2 H 9.230 -14.298 -3.378 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 2921 . 1 1 1 . HB3 H 9.250 -15.857 -4.195 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 2922 . 1 1 1 . HD1 H 9.070 -15.972 -6.661 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 3 . 2923 . 1 1 1 . HD2 H 9.378 -12.246 -4.611 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 2924 . 1 1 1 . HE1 H 9.703 -14.863 -8.769 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 3 . 2925 . 1 1 1 . HE2 H 10.008 -11.136 -6.718 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 2926 . 1 1 1 . HN2 H 5.923 -16.130 -2.863 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 2927 . 1 1 1 . HZ H 10.170 -12.444 -8.799 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 3 . 2928 . 1 1 1 . N N 6.965 -16.084 -2.982 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 3 . 2929 . 1 1 1 . O O 7.386 -12.871 -2.858 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 3 . 2930 . 1 1 2 ILE C C 4.232 -12.226 -2.168 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 2931 . 1 1 2 ILE CA C 4.819 -12.156 -3.579 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 2932 . 1 1 2 ILE CB C 3.703 -11.815 -4.626 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 2933 . 1 1 2 ILE CD1 C 2.640 -9.909 -5.937 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 2934 . 1 1 2 ILE CG1 C 3.656 -10.306 -4.903 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 2935 . 1 1 2 ILE CG2 C 2.335 -12.334 -4.155 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 2936 . 1 1 2 ILE H H 4.968 -14.099 -4.382 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 2937 . 1 1 2 ILE HA H 5.563 -11.373 -3.606 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 2938 . 1 1 2 ILE HB H 3.946 -12.322 -5.551 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 2939 . 1 1 2 ILE HD11 H 2.962 -8.998 -6.414 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 2940 . 1 1 2 ILE HD12 H 1.684 -9.758 -5.464 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 2941 . 1 1 2 ILE HD13 H 2.562 -10.696 -6.674 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 2942 . 1 1 2 ILE HG12 H 3.416 -9.781 -3.987 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 2943 . 1 1 2 ILE HG13 H 4.625 -9.975 -5.254 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 2944 . 1 1 2 ILE HG21 H 2.066 -11.879 -3.210 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 2945 . 1 1 2 ILE HG22 H 2.380 -13.406 -4.034 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 2946 . 1 1 2 ILE HG23 H 1.588 -12.091 -4.895 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 2947 . 1 1 2 ILE N N 5.474 -13.410 -3.907 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 2948 . 1 1 2 ILE O O 3.770 -13.282 -1.730 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 2949 . 1 1 3 SER C C 3.098 -9.657 0.086 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 2950 . 1 1 3 SER CA C 3.747 -11.014 -0.110 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 2951 . 1 1 3 SER CB C 4.763 -11.284 1.012 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 2952 . 1 1 3 SER H H 4.802 -10.340 -1.815 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 2953 . 1 1 3 SER HA H 2.970 -11.762 -0.047 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 2954 . 1 1 3 SER HB2 H 4.320 -10.979 1.948 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 2955 . 1 1 3 SER HB3 H 4.974 -12.341 1.050 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 2956 . 1 1 3 SER HG H 6.180 -10.419 -0.074 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 2957 . 1 1 3 SER N N 4.326 -11.113 -1.441 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 2958 . 1 1 3 SER O O 3.421 -8.675 -0.608 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 2959 . 1 1 3 SER OG O 5.990 -10.571 0.858 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 2960 . 1 1 4 . C C -0.030 -8.605 1.195 . . . 1.0 . . . . . . . . . . . . A . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 3 . 2961 . 1 1 4 . CA C 1.457 -8.407 1.359 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 3 . 2962 . 1 1 4 . CB C 1.745 -8.013 2.798 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 3 . 2963 . 1 1 4 . CD C 4.158 -8.303 3.313 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 3 . 2964 . 1 1 4 . CG C 2.775 -8.895 3.468 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 3 . 2965 . 1 1 4 . CZ C 6.310 -8.672 4.410 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 3 . 2966 . 1 1 4 . H H 1.991 -10.432 1.547 . . . 1.0 . . . . . . . . . . . . A . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 3 . 2967 . 1 1 4 . HA H 1.788 -7.624 0.699 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 3 . 2968 . 1 1 4 . HB2 H 0.826 -8.073 3.364 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 2969 . 1 1 4 . HB3 H 2.104 -6.998 2.813 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 2970 . 1 1 4 . HD2 H 4.063 -7.243 3.135 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 2971 . 1 1 4 . HD3 H 4.636 -8.768 2.463 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 2972 . 1 1 4 . HE H 4.542 -8.644 5.348 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 3 . 2973 . 1 1 4 . HG2 H 2.756 -9.876 3.008 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 2974 . 1 1 4 . HG3 H 2.539 -8.979 4.516 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 2975 . 1 1 4 . HH11 H 8.043 -9.110 5.441 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 3 . 2976 . 1 1 4 . HH12 H 6.519 -9.166 6.404 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 3 . 2977 . 1 1 4 . HH21 H 7.954 -8.660 3.154 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 3 . 2978 . 1 1 4 . HH22 H 6.376 -8.244 2.396 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 3 . 2979 . 1 1 4 . N N 2.181 -9.617 1.036 . . . 1.0 . . . . . . . . . . . . A . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 3 . 2980 . 1 1 4 . NE N 4.995 -8.520 4.487 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 3 . 2981 . 1 1 4 . NH1 N 7.010 -8.989 5.501 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 3 . 2982 . 1 1 4 . NH2 N 6.925 -8.516 3.239 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 3 . 2983 . 1 1 4 . O O -0.574 -9.617 1.637 . . . 1.0 . . . . . . . . . . . . A . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 3 . 2984 . 1 1 5 . C C -2.814 -6.407 0.516 . . . 1.0 . . . . . . . . . . . . A . 5 28J C . . . . . . . . . c50202_6yfy 1 . 3 . 2985 . 1 1 5 . CA C -2.131 -7.772 0.398 . . . 1.0 . . . . . . . . . . . . A . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 3 . 2986 . 1 1 5 . CB C -2.525 -8.492 -0.926 . . . 1.0 . . . . . . . . . . . . A . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 3 . 2987 . 1 1 5 . CD1 C -3.063 -8.135 -3.400 . . . 1.0 . . . . . . . . . . . . A . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 2988 . 1 1 5 . CG1 C -2.745 -7.487 -2.064 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 2989 . 1 1 5 . CG2 C -3.808 -9.290 -0.725 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 2990 . 1 1 5 . H21 H -2.483 -8.382 1.214 . . . 1.0 . . . . . . . . . . . . A . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 3 . 2991 . 1 1 5 . H22 H -1.735 -9.177 -1.199 . . . 1.0 . . . . . . . . . . . . A . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 3 . 2992 . 1 1 5 . H23 H -4.549 -8.658 -0.255 . . . 1.0 . . . . . . . . . . . . A . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 3 . 2993 . 1 1 5 . H24 H -3.613 -10.145 -0.096 . . . 1.0 . . . . . . . . . . . . A . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 3 . 2994 . 1 1 5 . H25 H -4.178 -9.623 -1.684 . . . 1.0 . . . . . . . . . . . . A . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 3 . 2995 . 1 1 5 . H26 H -1.860 -6.882 -2.186 . . . 1.0 . . . . . . . . . . . . A . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 3 . 2996 . 1 1 5 . H27 H -3.579 -6.847 -1.807 . . . 1.0 . . . . . . . . . . . . A . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 3 . 2997 . 1 1 5 . H28 H -3.276 -7.369 -4.131 . . . 1.0 . . . . . . . . . . . . A . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 3 . 2998 . 1 1 5 . H29 H -3.923 -8.779 -3.293 . . . 1.0 . . . . . . . . . . . . A . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 3 . 2999 . 1 1 5 . H30 H -2.214 -8.718 -3.728 . . . 1.0 . . . . . . . . . . . . A . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 3 . 3000 . 1 1 5 . N N -0.697 -7.653 0.558 . . . 1.0 . . . . . . . . . . . . A . 5 28J N . . . . . . . . . c50202_6yfy 1 . 3 . 3001 . 1 1 5 . O O -2.169 -5.351 0.422 . . . 1.0 . . . . . . . . . . . . A . 5 28J O . . . . . . . . . c50202_6yfy 1 . 3 . 3002 . 1 1 6 ILE C C -5.788 -5.275 2.243 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3003 . 1 1 6 ILE CA C -4.975 -5.295 0.928 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3004 . 1 1 6 ILE CB C -5.949 -5.275 -0.280 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3005 . 1 1 6 ILE CD1 C -8.222 -4.497 -1.056 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3006 . 1 1 6 ILE CG1 C -7.217 -4.500 0.054 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3007 . 1 1 6 ILE CG2 C -6.286 -6.694 -0.771 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3008 . 1 1 6 ILE H H -4.515 -7.352 0.938 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3009 . 1 1 6 ILE HA H -4.358 -4.412 0.879 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3010 . 1 1 6 ILE HB H -5.444 -4.773 -1.087 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3011 . 1 1 6 ILE HD11 H -7.750 -4.161 -1.967 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3012 . 1 1 6 ILE HD12 H -9.034 -3.835 -0.801 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3013 . 1 1 6 ILE HD13 H -8.596 -5.499 -1.191 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3014 . 1 1 6 ILE HG12 H -7.686 -4.943 0.915 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3015 . 1 1 6 ILE HG13 H -6.963 -3.473 0.271 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3016 . 1 1 6 ILE HG21 H -5.425 -7.116 -1.277 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3017 . 1 1 6 ILE HG22 H -7.122 -6.664 -1.457 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3018 . 1 1 6 ILE HG23 H -6.541 -7.317 0.073 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3019 . 1 1 6 ILE N N -4.112 -6.468 0.807 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3020 . 1 1 6 ILE O O -6.556 -6.200 2.515 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3021 . 1 1 7 SER C C -6.974 -2.693 4.434 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3022 . 1 1 7 SER CA C -6.351 -4.078 4.320 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3023 . 1 1 7 SER CB C -5.476 -4.271 5.543 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3024 . 1 1 7 SER H H -4.893 -3.572 2.849 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3025 . 1 1 7 SER HA H -7.135 -4.814 4.323 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3026 . 1 1 7 SER HB2 H -4.867 -3.392 5.692 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3027 . 1 1 7 SER HB3 H -6.092 -4.443 6.411 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3028 . 1 1 7 SER HG H -4.567 -5.583 4.430 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3029 . 1 1 7 SER N N -5.590 -4.232 3.067 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3030 . 1 1 7 SER O O -6.614 -1.764 3.701 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3031 . 1 1 7 SER OG O -4.625 -5.373 5.363 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3032 . 1 1 8 DTH C C -10.053 -1.455 5.442 . . . 1.0 . . . . . . . . . . . . A . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 3 . 3033 . 1 1 8 DTH CA C -8.550 -1.290 5.659 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 3 . 3034 . 1 1 8 DTH CB C -8.366 -0.745 7.097 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 3 . 3035 . 1 1 8 DTH CG2 C -6.887 -0.603 7.399 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3036 . 1 1 8 DTH H H -8.038 -3.318 6.009 . . . 1.0 . . . . . . . . . . . . A . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 3 . 3037 . 1 1 8 DTH HA H -8.172 -0.554 4.958 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 3 . 3038 . 1 1 8 DTH HB H -8.854 0.236 7.187 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 3 . 3039 . 1 1 8 DTH HG21 H -6.433 0.074 6.693 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3040 . 1 1 8 DTH HG22 H -6.409 -1.566 7.344 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3041 . 1 1 8 DTH HG23 H -6.774 -0.203 8.399 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3042 . 1 1 8 DTH N N -7.851 -2.548 5.423 . . . 1.0 . . . . . . . . . . . . A . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 3 . 3043 . 1 1 8 DTH O O -10.784 -0.473 5.299 . . . 1.0 . . . . . . . . . . . . A . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 3 . 3044 . 1 1 8 DTH OG1 O -8.986 -1.613 8.055 . . . 1.0 . . . . . . . . . . . . A . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3045 . 1 1 9 ALA C C -12.640 -2.830 6.565 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3046 . 1 1 9 ALA CA C -11.927 -3.048 5.250 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3047 . 1 1 9 ALA CB C -12.120 -4.503 4.817 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3048 . 1 1 9 ALA H H -9.879 -3.455 5.580 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 3 . 3049 . 1 1 9 ALA HA H -12.349 -2.393 4.496 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3050 . 1 1 9 ALA HB1 H -11.566 -4.688 3.915 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3051 . 1 1 9 ALA HB2 H -13.176 -4.685 4.635 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3052 . 1 1 9 ALA HB3 H -11.779 -5.157 5.600 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3053 . 1 1 9 ALA N N -10.510 -2.722 5.431 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3054 . 1 1 9 ALA O O -13.382 -1.866 6.742 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3055 . 1 1 10 LEU C C -12.161 -2.716 9.674 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 3 . 3056 . 1 1 10 LEU CA C -12.950 -3.677 8.820 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 3 . 3057 . 1 1 10 LEU CB C -12.958 -5.071 9.453 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 3 . 3058 . 1 1 10 LEU CD1 C -14.428 -5.620 7.520 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3059 . 1 1 10 LEU CD2 C -12.457 -7.084 7.953 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3060 . 1 1 10 LEU CG C -13.538 -6.202 8.589 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 3 . 3061 . 1 1 10 LEU H H -11.699 -4.435 7.303 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 3 . 3062 . 1 1 10 LEU HA H -13.961 -3.314 8.724 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 3 . 3063 . 1 1 10 LEU HB2 H -11.942 -5.327 9.714 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3064 . 1 1 10 LEU HB3 H -13.539 -5.014 10.362 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3065 . 1 1 10 LEU HD11 H -15.269 -5.124 7.986 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3066 . 1 1 10 LEU HD12 H -14.790 -6.412 6.881 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3067 . 1 1 10 LEU HD13 H -13.876 -4.906 6.929 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3068 . 1 1 10 LEU HD21 H -12.930 -7.851 7.357 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 3 . 3069 . 1 1 10 LEU HD22 H -11.862 -7.543 8.726 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 3 . 3070 . 1 1 10 LEU HD23 H -11.825 -6.479 7.320 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 3 . 3071 . 1 1 10 LEU HG H -14.152 -6.830 9.215 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 3 . 3072 . 1 1 10 LEU N N -12.356 -3.727 7.502 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 3 . 3073 . 1 1 10 LEU O O -12.714 -1.891 10.399 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 3 . 3074 . 1 1 11 ILE C C -9.285 -1.019 9.319 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3075 . 1 1 11 ILE CA C -9.964 -1.954 10.300 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3076 . 1 1 11 ILE CB C -8.916 -2.727 11.123 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3077 . 1 1 11 ILE CD1 C -8.662 -4.756 12.644 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3078 . 1 1 11 ILE CG1 C -9.606 -3.750 12.026 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3079 . 1 1 11 ILE CG2 C -8.095 -1.760 11.962 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3080 . 1 1 11 ILE H H -10.477 -3.534 8.969 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3081 . 1 1 11 ILE HA H -10.566 -1.365 10.983 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3082 . 1 1 11 ILE HB H -8.254 -3.239 10.441 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3083 . 1 1 11 ILE HD11 H -7.909 -4.237 13.219 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3084 . 1 1 11 ILE HD12 H -8.187 -5.332 11.864 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3085 . 1 1 11 ILE HD13 H -9.217 -5.417 13.294 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3086 . 1 1 11 ILE HG12 H -10.101 -3.227 12.831 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3087 . 1 1 11 ILE HG13 H -10.342 -4.291 11.451 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3088 . 1 1 11 ILE HG21 H -8.752 -1.224 12.633 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3089 . 1 1 11 ILE HG22 H -7.594 -1.058 11.313 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3090 . 1 1 11 ILE HG23 H -7.365 -2.310 12.535 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3091 . 1 1 11 ILE N N -10.855 -2.835 9.571 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3092 . 2 2 1 . C1 C -6.882 -2.385 -6.560 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3093 . 2 2 1 . C2 C -6.568 -3.822 -6.849 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3094 . 2 2 1 . C3 C -6.801 -4.436 -8.020 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3095 . 2 2 1 . C4 C -6.441 -5.910 -8.267 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3096 . 2 2 1 . C5 C -7.441 -3.738 -9.224 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3097 . 2 2 1 . H11 H -6.353 -1.756 -7.262 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 3098 . 2 2 1 . H12 H -7.939 -2.224 -6.655 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 3099 . 2 2 1 . H2 H -6.053 -4.336 -6.049 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3100 . 2 2 1 . H41 H -5.656 -6.213 -7.584 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 3 . 3101 . 2 2 1 . H42 H -6.091 -6.027 -9.282 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 3102 . 2 2 1 . H43 H -7.312 -6.531 -8.115 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 3103 . 2 2 1 . H51 H -8.361 -4.246 -9.480 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 3104 . 2 2 1 . H52 H -6.761 -3.786 -10.059 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 3105 . 2 2 1 . H53 H -7.655 -2.699 -8.993 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 3106 . 3 1 1 . C C -7.860 2.739 2.855 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 3 . 3107 . 3 1 1 . C10 C -7.167 4.869 4.902 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 3 . 3108 . 3 1 1 . CA C -8.569 4.083 3.035 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3109 . 3 1 1 . CB C -9.749 3.908 4.021 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3110 . 3 1 1 . CD1 C -12.129 3.826 3.172 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3111 . 3 1 1 . CD2 C -10.906 1.774 3.278 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3112 . 3 1 1 . CE1 C -13.219 3.143 2.651 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3113 . 3 1 1 . CE2 C -11.998 1.091 2.751 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3114 . 3 1 1 . CG C -10.941 3.161 3.446 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 3 . 3115 . 3 1 1 . CZ C -13.167 1.773 2.485 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3116 . 3 1 1 . H H -8.104 6.068 3.534 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 3 . 3117 . 3 1 1 . H11 H -7.995 4.983 5.588 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 3 . 3118 . 3 1 1 . H12 H -6.382 5.561 5.171 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 3 . 3119 . 3 1 1 . H13 H -6.788 3.858 4.960 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 3 . 3120 . 3 1 1 . HA H -8.959 4.395 2.079 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3121 . 3 1 1 . HB2 H -9.401 3.358 4.885 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3122 . 3 1 1 . HB3 H -10.087 4.881 4.343 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3123 . 3 1 1 . HD1 H -12.178 4.896 3.299 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3124 . 3 1 1 . HD2 H -9.994 1.237 3.494 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3125 . 3 1 1 . HE1 H -14.131 3.671 2.440 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3126 . 3 1 1 . HE2 H -11.956 0.019 2.611 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3127 . 3 1 1 . HN2 H -6.803 5.205 2.878 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3128 . 3 1 1 . HZ H -14.022 1.245 2.087 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 3 . 3129 . 3 1 1 . N N -7.625 5.150 3.527 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 3 . 3130 . 3 1 1 . O O -7.750 1.976 3.819 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 3 . 3131 . 3 1 2 ILE C C -5.237 1.135 1.850 . . . 1.0 . . . . . . . . . . . . B . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3132 . 3 1 2 ILE CA C -6.707 1.133 1.467 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3133 . 3 1 2 ILE CB C -6.874 0.588 0.019 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3134 . 3 1 2 ILE CD1 C -5.700 -1.328 -1.202 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3135 . 3 1 2 ILE CG1 C -6.549 -0.921 -0.026 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3136 . 3 1 2 ILE CG2 C -5.985 1.388 -0.933 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3137 . 3 1 2 ILE H H -7.308 3.119 0.909 . . . 1.0 . . . . . . . . . . . . B . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3138 . 3 1 2 ILE HA H -7.215 0.450 2.131 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3139 . 3 1 2 ILE HB H -7.903 0.731 -0.282 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3140 . 3 1 2 ILE HD11 H -6.308 -1.334 -2.089 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3141 . 3 1 2 ILE HD12 H -5.284 -2.307 -1.032 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3142 . 3 1 2 ILE HD13 H -4.901 -0.608 -1.318 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3143 . 3 1 2 ILE HG12 H -6.012 -1.196 0.874 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3144 . 3 1 2 ILE HG13 H -7.468 -1.490 -0.072 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3145 . 3 1 2 ILE HG21 H -5.944 0.912 -1.902 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3146 . 3 1 2 ILE HG22 H -4.989 1.451 -0.519 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3147 . 3 1 2 ILE HG23 H -6.390 2.384 -1.036 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3148 . 3 1 2 ILE N N -7.330 2.443 1.654 . . . 1.0 . . . . . . . . . . . . B . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3149 . 3 1 2 ILE O O -4.435 1.957 1.343 . . . 1.0 . . . . . . . . . . . . B . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3150 . 3 1 3 SER C C -3.045 -1.412 2.937 . . . 1.0 . . . . . . . . . . . . B . 3 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3151 . 3 1 3 SER CA C -3.546 -0.021 3.196 . . . 1.0 . . . . . . . . . . . . B . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3152 . 3 1 3 SER CB C -3.362 0.316 4.673 . . . 1.0 . . . . . . . . . . . . B . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3153 . 3 1 3 SER H H -5.606 -0.445 3.053 . . . 1.0 . . . . . . . . . . . . B . 3 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3154 . 3 1 3 SER HA H -2.925 0.648 2.627 . . . 1.0 . . . . . . . . . . . . B . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3155 . 3 1 3 SER HB2 H -2.351 0.058 4.945 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3156 . 3 1 3 SER HB3 H -3.514 1.369 4.814 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3157 . 3 1 3 SER HG H -5.092 -0.543 5.118 . . . 1.0 . . . . . . . . . . . . B . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3158 . 3 1 3 SER N N -4.904 0.167 2.731 . . . 1.0 . . . . . . . . . . . . B . 3 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3159 . 3 1 3 SER O O -3.803 -2.367 2.727 . . . 1.0 . . . . . . . . . . . . B . 3 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3160 . 3 1 3 SER OG O -4.233 -0.401 5.537 . . . 1.0 . . . . . . . . . . . . B . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3161 . 3 1 4 . C C -0.026 -2.432 1.695 . . . 1.0 . . . . . . . . . . . . B . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 3 . 3162 . 3 1 4 . CA C -1.034 -2.707 2.730 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 3 . 3163 . 3 1 4 . CB C -0.300 -3.206 3.962 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 3 . 3164 . 3 1 4 . CD C -0.595 -3.545 6.374 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 3 . 3165 . 3 1 4 . CG C -0.749 -2.565 5.247 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 3 . 3166 . 3 1 4 . CZ C -1.889 -2.967 8.340 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3167 . 3 1 4 . H H -1.227 -0.668 3.135 . . . 1.0 . . . . . . . . . . . . B . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 3 . 3168 . 3 1 4 . HA H -1.722 -3.457 2.374 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 3 . 3169 . 3 1 4 . HB2 H 0.756 -3.023 3.836 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3170 . 3 1 4 . HB3 H -0.463 -4.270 4.045 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3171 . 3 1 4 . HD2 H 0.393 -3.981 6.317 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3172 . 3 1 4 . HD3 H -1.335 -4.322 6.263 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3173 . 3 1 4 . HE H 0.014 -2.458 8.056 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 3 . 3174 . 3 1 4 . HG2 H -1.786 -2.275 5.165 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3175 . 3 1 4 . HG3 H -0.136 -1.699 5.443 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3176 . 3 1 4 . HH11 H -2.877 -2.416 10.043 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 3 . 3177 . 3 1 4 . HH12 H -1.177 -1.849 9.898 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 3 . 3178 . 3 1 4 . HH21 H -3.843 -3.612 8.348 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 3 . 3179 . 3 1 4 . HH22 H -2.886 -4.008 6.871 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 3 . 3180 . 3 1 4 . N N -1.740 -1.488 2.973 . . . 1.0 . . . . . . . . . . . . B . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 3 . 3181 . 3 1 4 . NE N -0.757 -2.927 7.671 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 3 . 3182 . 3 1 4 . NH1 N -1.984 -2.371 9.511 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 3 . 3183 . 3 1 4 . NH2 N -2.945 -3.576 7.816 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 3 . 3184 . 3 1 4 . O O 0.611 -1.370 1.727 . . . 1.0 . . . . . . . . . . . . B . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 3 . 3185 . 3 1 5 . C C 1.492 -4.568 -0.708 . . . 1.0 . . . . . . . . . . . . B . 5 28J C . . . . . . . . . c50202_6yfy 1 . 3 . 3186 . 3 1 5 . CA C 1.047 -3.208 -0.259 . . . 1.0 . . . . . . . . . . . . B . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 3 . 3187 . 3 1 5 . CB C 0.528 -2.424 -1.477 . . . 1.0 . . . . . . . . . . . . B . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 3 . 3188 . 3 1 5 . CD1 C -0.964 -2.577 -3.539 . . . 1.0 . . . . . . . . . . . . B . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3189 . 3 1 5 . CG1 C -0.360 -3.310 -2.357 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3190 . 3 1 5 . CG2 C 1.680 -1.877 -2.302 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3191 . 3 1 5 . H21 H 1.893 -2.680 0.156 . . . 1.0 . . . . . . . . . . . . B . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 3 . 3192 . 3 1 5 . H22 H -0.052 -1.593 -1.113 . . . 1.0 . . . . . . . . . . . . B . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 3 . 3193 . 3 1 5 . H23 H 1.300 -1.489 -3.234 . . . 1.0 . . . . . . . . . . . . B . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 3 . 3194 . 3 1 5 . H24 H 2.391 -2.665 -2.500 . . . 1.0 . . . . . . . . . . . . B . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 3 . 3195 . 3 1 5 . H25 H 2.162 -1.084 -1.752 . . . 1.0 . . . . . . . . . . . . B . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 3 . 3196 . 3 1 5 . H26 H -1.168 -3.709 -1.761 . . . 1.0 . . . . . . . . . . . . B . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 3 . 3197 . 3 1 5 . H27 H 0.232 -4.128 -2.744 . . . 1.0 . . . . . . . . . . . . B . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 3 . 3198 . 3 1 5 . H28 H -1.569 -1.756 -3.181 . . . 1.0 . . . . . . . . . . . . B . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 3 . 3199 . 3 1 5 . H29 H -1.580 -3.255 -4.108 . . . 1.0 . . . . . . . . . . . . B . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 3 . 3200 . 3 1 5 . H30 H -0.175 -2.192 -4.168 . . . 1.0 . . . . . . . . . . . . B . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 3 . 3201 . 3 1 5 . N N 0.080 -3.344 0.764 . . . 1.0 . . . . . . . . . . . . B . 5 28J N . . . . . . . . . c50202_6yfy 1 . 3 . 3202 . 3 1 5 . O O 0.794 -5.578 -0.493 . . . 1.0 . . . . . . . . . . . . B . 5 28J O . . . . . . . . . c50202_6yfy 1 . 3 . 3203 . 3 1 6 ILE C C 4.793 -5.819 -1.597 . . . 1.0 . . . . . . . . . . . . B . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3204 . 3 1 6 ILE CA C 3.274 -5.794 -1.757 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3205 . 3 1 6 ILE CB C 2.758 -5.927 -3.254 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3206 . 3 1 6 ILE CD1 C 4.514 -6.498 -5.081 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3207 . 3 1 6 ILE CG1 C 3.504 -6.995 -4.078 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3208 . 3 1 6 ILE CG2 C 2.716 -4.609 -4.068 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3209 . 3 1 6 ILE H H 3.331 -3.833 -0.953 . . . 1.0 . . . . . . . . . . . . B . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3210 . 3 1 6 ILE HA H 2.873 -6.636 -1.207 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3211 . 3 1 6 ILE HB H 1.738 -6.237 -3.166 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3212 . 3 1 6 ILE HD11 H 5.311 -5.968 -4.573 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3213 . 3 1 6 ILE HD12 H 4.043 -5.839 -5.797 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3214 . 3 1 6 ILE HD13 H 4.935 -7.349 -5.602 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3215 . 3 1 6 ILE HG12 H 4.048 -7.612 -3.388 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3216 . 3 1 6 ILE HG13 H 2.790 -7.613 -4.606 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3217 . 3 1 6 ILE HG21 H 2.653 -4.857 -5.125 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3218 . 3 1 6 ILE HG22 H 3.622 -4.058 -3.904 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3219 . 3 1 6 ILE HG23 H 1.858 -4.005 -3.797 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3220 . 3 1 6 ILE N N 2.728 -4.601 -1.154 . . . 1.0 . . . . . . . . . . . . B . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3221 . 3 1 6 ILE O O 5.447 -4.754 -1.489 . . . 1.0 . . . . . . . . . . . . B . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3222 . 3 1 7 SER C C 7.188 -8.601 -1.419 . . . 1.0 . . . . . . . . . . . . B . 7 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3223 . 3 1 7 SER CA C 6.763 -7.165 -1.269 . . . 1.0 . . . . . . . . . . . . B . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3224 . 3 1 7 SER CB C 7.205 -6.772 0.102 . . . 1.0 . . . . . . . . . . . . B . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3225 . 3 1 7 SER H H 4.747 -7.809 -1.264 . . . 1.0 . . . . . . . . . . . . B . 7 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3226 . 3 1 7 SER HA H 7.247 -6.534 -2.002 . . . 1.0 . . . . . . . . . . . . B . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3227 . 3 1 7 SER HB2 H 8.105 -7.315 0.357 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3228 . 3 1 7 SER HB3 H 7.390 -5.711 0.143 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3229 . 3 1 7 SER HG H 5.361 -7.249 0.581 . . . 1.0 . . . . . . . . . . . . B . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3230 . 3 1 7 SER N N 5.331 -7.017 -1.399 . . . 1.0 . . . . . . . . . . . . B . 7 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3231 . 3 1 7 SER O O 6.364 -9.501 -1.605 . . . 1.0 . . . . . . . . . . . . B . 7 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3232 . 3 1 7 SER OG O 6.188 -7.104 1.033 . . . 1.0 . . . . . . . . . . . . B . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3233 . 3 1 8 DTH C C 9.882 -10.311 -2.553 . . . 1.0 . . . . . . . . . . . . B . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 3 . 3234 . 3 1 8 DTH CA C 9.032 -10.151 -1.289 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 3 . 3235 . 3 1 8 DTH CB C 10.006 -10.475 -0.128 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 3 . 3236 . 3 1 8 DTH CG2 C 9.300 -10.390 1.212 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3237 . 3 1 8 DTH H H 9.057 -8.040 -1.073 . . . 1.0 . . . . . . . . . . . . B . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 3 . 3238 . 3 1 8 DTH HA H 8.225 -10.872 -1.281 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 3 . 3239 . 3 1 8 DTH HB H 10.398 -11.489 -0.268 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 3 . 3240 . 3 1 8 DTH HG21 H 8.496 -11.108 1.248 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3241 . 3 1 8 DTH HG22 H 8.917 -9.396 1.375 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3242 . 3 1 8 DTH HG23 H 10.020 -10.628 1.986 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3243 . 3 1 8 DTH N N 8.466 -8.814 -1.226 . . . 1.0 . . . . . . . . . . . . B . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 3 . 3244 . 3 1 8 DTH O O 10.335 -11.418 -2.842 . . . 1.0 . . . . . . . . . . . . B . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 3 . 3245 . 3 1 8 DTH OG1 O 11.149 -9.608 -0.134 . . . 1.0 . . . . . . . . . . . . B . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3246 . 3 1 9 ALA C C 12.468 -9.390 -3.885 . . . 1.0 . . . . . . . . . . . . B . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3247 . 3 1 9 ALA CA C 11.038 -9.198 -4.384 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3248 . 3 1 9 ALA CB C 10.875 -7.905 -5.183 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3249 . 3 1 9 ALA H H 9.746 -8.360 -2.956 . . . 1.0 . . . . . . . . . . . . B . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 3 . 3250 . 3 1 9 ALA HA H 10.777 -10.032 -5.019 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3251 . 3 1 9 ALA HB1 H 10.875 -7.068 -4.503 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3252 . 3 1 9 ALA HB2 H 9.935 -7.927 -5.721 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3253 . 3 1 9 ALA HB3 H 11.687 -7.806 -5.882 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3254 . 3 1 9 ALA N N 10.152 -9.202 -3.235 . . . 1.0 . . . . . . . . . . . . B . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3255 . 3 1 9 ALA O O 12.991 -10.497 -3.943 . . . 1.0 . . . . . . . . . . . . B . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3256 . 3 1 10 LEU C C 14.432 -9.078 -1.464 . . . 1.0 . . . . . . . . . . . . B . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 3 . 3257 . 3 1 10 LEU CA C 14.451 -8.421 -2.806 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 3 . 3258 . 3 1 10 LEU CB C 15.127 -7.059 -2.626 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 3 . 3259 . 3 1 10 LEU CD1 C 14.079 -5.765 -0.797 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3260 . 3 1 10 LEU CD2 C 14.700 -4.629 -2.933 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3261 . 3 1 10 LEU CG C 14.203 -5.906 -2.301 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 3 . 3262 . 3 1 10 LEU H H 12.597 -7.460 -3.290 . . . 1.0 . . . . . . . . . . . . B . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 3 . 3263 . 3 1 10 LEU HA H 15.033 -9.029 -3.482 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 3 . 3264 . 3 1 10 LEU HB2 H 15.863 -7.142 -1.839 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3265 . 3 1 10 LEU HB3 H 15.638 -6.821 -3.546 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3266 . 3 1 10 LEU HD11 H 13.543 -6.619 -0.405 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3267 . 3 1 10 LEU HD12 H 13.538 -4.862 -0.551 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3268 . 3 1 10 LEU HD13 H 15.061 -5.727 -0.348 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3269 . 3 1 10 LEU HD21 H 14.147 -4.451 -3.839 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 3 . 3270 . 3 1 10 LEU HD22 H 15.754 -4.721 -3.159 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 3 . 3271 . 3 1 10 LEU HD23 H 14.548 -3.807 -2.250 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 3 . 3272 . 3 1 10 LEU HG H 13.222 -6.118 -2.702 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 3 . 3273 . 3 1 10 LEU N N 13.076 -8.322 -3.336 . . . 1.0 . . . . . . . . . . . . B . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 3 . 3274 . 3 1 10 LEU O O 15.195 -9.999 -1.182 . . . 1.0 . . . . . . . . . . . . B . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 3 . 3275 . 3 1 11 ILE C C 12.216 -10.029 0.728 . . . 1.0 . . . . . . . . . . . . B . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3276 . 3 1 11 ILE CA C 13.432 -9.128 0.697 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3277 . 3 1 11 ILE CB C 13.339 -8.034 1.789 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3278 . 3 1 11 ILE CD1 C 14.707 -6.409 3.214 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3279 . 3 1 11 ILE CG1 C 14.721 -7.443 2.103 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3280 . 3 1 11 ILE CG2 C 12.740 -8.619 3.055 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3281 . 3 1 11 ILE H H 12.935 -7.854 -0.942 . . . 1.0 . . . . . . . . . . . . B . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3282 . 3 1 11 ILE HA H 14.316 -9.728 0.891 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3283 . 3 1 11 ILE HB H 12.687 -7.253 1.431 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3284 . 3 1 11 ILE HD11 H 14.347 -6.865 4.126 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3285 . 3 1 11 ILE HD12 H 14.057 -5.592 2.940 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3286 . 3 1 11 ILE HD13 H 15.708 -6.035 3.372 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3287 . 3 1 11 ILE HG12 H 15.385 -8.238 2.407 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3288 . 3 1 11 ILE HG13 H 15.118 -6.971 1.215 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3289 . 3 1 11 ILE HG21 H 13.371 -9.422 3.410 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3290 . 3 1 11 ILE HG22 H 11.755 -9.002 2.841 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3291 . 3 1 11 ILE HG23 H 12.676 -7.851 3.809 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3292 . 3 1 11 ILE N N 13.556 -8.582 -0.629 . . . 1.0 . . . . . . . . . . . . B . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3293 . 4 2 1 . C1 C 10.431 11.308 -3.278 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3294 . 4 2 1 . C2 C 11.442 11.790 -4.276 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3295 . 4 2 1 . C3 C 12.755 11.870 -4.051 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3296 . 4 2 1 . C4 C 13.769 12.346 -5.109 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3297 . 4 2 1 . C5 C 13.381 11.493 -2.709 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3298 . 4 2 1 . H11 H 10.923 11.137 -2.331 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 3299 . 4 2 1 . H12 H 9.665 12.051 -3.159 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 3300 . 4 2 1 . H2 H 11.034 12.033 -5.246 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3301 . 4 2 1 . H41 H 14.642 11.703 -5.099 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 3 . 3302 . 4 2 1 . H42 H 14.072 13.359 -4.883 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 3303 . 4 2 1 . H43 H 13.313 12.321 -6.087 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 3304 . 4 2 1 . H51 H 14.455 11.546 -2.796 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 3305 . 4 2 1 . H52 H 13.088 10.488 -2.453 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 3306 . 4 2 1 . H53 H 13.046 12.175 -1.933 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 3307 . 5 1 1 . C C 7.035 -3.029 2.143 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 3 . 3308 . 5 1 1 . C10 C 6.385 -4.885 4.399 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 3 . 3309 . 5 1 1 . CA C 7.732 -4.368 2.386 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3310 . 5 1 1 . CB C 8.998 -4.136 3.233 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3311 . 5 1 1 . CD1 C 11.262 -4.492 2.190 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3312 . 5 1 1 . CD2 C 10.263 -2.324 2.010 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3313 . 5 1 1 . CE1 C 12.356 -4.045 1.470 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3314 . 5 1 1 . CE2 C 11.356 -1.874 1.288 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3315 . 5 1 1 . CG C 10.189 -3.647 2.446 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 3 . 3316 . 5 1 1 . CZ C 12.413 -2.727 1.042 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3317 . 5 1 1 . H H 7.328 -6.253 3.202 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 3 . 3318 . 5 1 1 . H11 H 6.044 -3.861 4.325 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 3 . 3319 . 5 1 1 . H12 H 7.208 -4.940 5.096 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 3 . 3320 . 5 1 1 . H13 H 5.574 -5.508 4.755 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 3 . 3321 . 5 1 1 . HA H 8.023 -4.778 1.433 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3322 . 5 1 1 . HB2 H 8.780 -3.402 3.995 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3323 . 5 1 1 . HB3 H 9.273 -5.065 3.708 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3324 . 5 1 1 . HD1 H 11.222 -5.518 2.524 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3325 . 5 1 1 . HD2 H 9.439 -1.654 2.208 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3326 . 5 1 1 . HE1 H 13.182 -4.713 1.274 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3327 . 5 1 1 . HE2 H 11.398 -0.848 0.947 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3328 . 5 1 1 . HN2 H 5.992 -5.534 2.454 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3329 . 5 1 1 . HZ H 13.268 -2.377 0.482 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 3 . 3330 . 5 1 1 . N N 6.824 -5.359 3.067 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 3 . 3331 . 5 1 1 . O O 6.957 -2.216 3.063 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 3 . 3332 . 5 1 2 ILE C C 4.447 -1.463 1.206 . . . 1.0 . . . . . . . . . . . . E . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3333 . 5 1 2 ILE CA C 5.862 -1.488 0.682 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3334 . 5 1 2 ILE CB C 5.882 -1.055 -0.816 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3335 . 5 1 2 ILE CD1 C 5.416 0.949 -2.421 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3336 . 5 1 2 ILE CG1 C 5.504 0.448 -0.979 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3337 . 5 1 2 ILE CG2 C 4.972 -1.949 -1.659 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3338 . 5 1 2 ILE H H 6.500 -3.484 0.209 . . . 1.0 . . . . . . . . . . . . E . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3339 . 5 1 2 ILE HA H 6.430 -0.761 1.240 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3340 . 5 1 2 ILE HB H 6.888 -1.194 -1.181 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3341 . 5 1 2 ILE HD11 H 5.817 0.216 -3.095 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3342 . 5 1 2 ILE HD12 H 5.942 1.885 -2.524 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3343 . 5 1 2 ILE HD13 H 4.368 1.106 -2.660 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3344 . 5 1 2 ILE HG12 H 4.534 0.605 -0.531 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3345 . 5 1 2 ILE HG13 H 6.226 1.057 -0.465 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3346 . 5 1 2 ILE HG21 H 5.315 -2.971 -1.596 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3347 . 5 1 2 ILE HG22 H 4.995 -1.624 -2.687 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3348 . 5 1 2 ILE HG23 H 3.960 -1.887 -1.285 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3349 . 5 1 2 ILE N N 6.499 -2.786 0.925 . . . 1.0 . . . . . . . . . . . . E . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3350 . 5 1 2 ILE O O 3.561 -2.197 0.716 . . . 1.0 . . . . . . . . . . . . E . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3351 . 5 1 3 SER C C 2.355 1.052 2.536 . . . 1.0 . . . . . . . . . . . . E . 3 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3352 . 5 1 3 SER CA C 2.931 -0.347 2.745 . . . 1.0 . . . . . . . . . . . . E . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3353 . 5 1 3 SER CB C 3.015 -0.615 4.213 . . . 1.0 . . . . . . . . . . . . E . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3354 . 5 1 3 SER H H 4.944 0.160 2.334 . . . 1.0 . . . . . . . . . . . . E . 3 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3355 . 5 1 3 SER HA H 2.265 -1.064 2.306 . . . 1.0 . . . . . . . . . . . . E . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3356 . 5 1 3 SER HB2 H 3.173 0.322 4.727 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3357 . 5 1 3 SER HB3 H 2.092 -1.058 4.539 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3358 . 5 1 3 SER HG H 4.791 -1.357 3.888 . . . 1.0 . . . . . . . . . . . . E . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3359 . 5 1 3 SER N N 4.226 -0.513 2.135 . . . 1.0 . . . . . . . . . . . . E . 3 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3360 . 5 1 3 SER O O 3.022 1.988 2.045 . . . 1.0 . . . . . . . . . . . . E . 3 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3361 . 5 1 3 SER OG O 4.076 -1.501 4.506 . . . 1.0 . . . . . . . . . . . . E . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3362 . 5 1 4 . C C -0.734 2.178 1.766 . . . 1.0 . . . . . . . . . . . . E . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 3 . 3363 . 5 1 4 . CA C 0.365 2.394 2.744 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 3 . 3364 . 5 1 4 . CB C -0.229 2.763 4.117 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 3 . 3365 . 5 1 4 . CD C 1.384 2.820 6.033 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 3 . 3366 . 5 1 4 . CG C 0.351 1.988 5.301 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 3 . 3367 . 5 1 4 . CZ C 2.842 2.482 7.965 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3368 . 5 1 4 . H H 0.547 0.305 2.908 . . . 1.0 . . . . . . . . . . . . E . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 3 . 3369 . 5 1 4 . HA H 1.033 3.167 2.397 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 3 . 3370 . 5 1 4 . HB2 H -1.293 2.577 4.085 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3371 . 5 1 4 . HB3 H -0.069 3.813 4.293 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3372 . 5 1 4 . HD2 H 1.035 3.841 6.063 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3373 . 5 1 4 . HD3 H 2.308 2.778 5.483 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3374 . 5 1 4 . HE H 0.901 1.985 7.910 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 3 . 3375 . 5 1 4 . HG2 H 0.811 1.078 4.942 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3376 . 5 1 4 . HG3 H -0.453 1.743 5.983 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3377 . 5 1 4 . HH11 H 3.988 2.146 9.638 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 3 . 3378 . 5 1 4 . HH12 H 2.268 1.628 9.743 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 3 . 3379 . 5 1 4 . HH21 H 4.787 3.106 7.699 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 3 . 3380 . 5 1 4 . HH22 H 3.684 3.328 6.294 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 3 . 3381 . 5 1 4 . N N 1.073 1.141 2.804 . . . 1.0 . . . . . . . . . . . . E . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 3 . 3382 . 5 1 4 . NE N 1.642 2.379 7.401 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 3 . 3383 . 5 1 4 . NH1 N 3.046 2.056 9.204 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 3 . 3384 . 5 1 4 . NH2 N 3.844 3.012 7.272 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 3 . 3385 . 5 1 4 . O O -1.417 1.153 1.868 . . . 1.0 . . . . . . . . . . . . E . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 3 . 3386 . 5 1 5 . C C -2.546 4.101 -0.621 . . . 1.0 . . . . . . . . . . . . E . 5 28J C . . . . . . . . . c50202_6yfy 1 . 3 . 3387 . 5 1 5 . CA C -1.956 2.810 -0.135 . . . 1.0 . . . . . . . . . . . . E . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 3 . 3388 . 5 1 5 . CB C -1.487 1.970 -1.324 . . . 1.0 . . . . . . . . . . . . E . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 3 . 3389 . 5 1 5 . CD1 C -0.034 2.088 -3.391 . . . 1.0 . . . . . . . . . . . . E . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3390 . 5 1 5 . CG1 C -0.766 2.863 -2.332 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3391 . 5 1 5 . CG2 C -2.691 1.299 -1.955 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3392 . 5 1 5 . H21 H -2.716 2.247 0.382 . . . 1.0 . . . . . . . . . . . . E . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 3 . 3393 . 5 1 5 . H22 H -0.813 1.205 -0.969 . . . 1.0 . . . . . . . . . . . . E . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 3 . 3394 . 5 1 5 . H23 H -2.386 0.830 -2.877 . . . 1.0 . . . . . . . . . . . . E . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 3 . 3395 . 5 1 5 . H24 H -3.443 2.047 -2.167 . . . 1.0 . . . . . . . . . . . . E . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 3 . 3396 . 5 1 5 . H25 H -3.094 0.558 -1.285 . . . 1.0 . . . . . . . . . . . . E . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 3 . 3397 . 5 1 5 . H26 H -0.049 3.479 -1.809 . . . 1.0 . . . . . . . . . . . . E . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 3 . 3398 . 5 1 5 . H27 H -1.490 3.499 -2.822 . . . 1.0 . . . . . . . . . . . . E . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 3 . 3399 . 5 1 5 . H28 H 0.461 2.776 -4.059 . . . 1.0 . . . . . . . . . . . . E . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 3 . 3400 . 5 1 5 . H29 H -0.742 1.492 -3.947 . . . 1.0 . . . . . . . . . . . . E . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 3 . 3401 . 5 1 5 . H30 H 0.697 1.442 -2.928 . . . 1.0 . . . . . . . . . . . . E . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 3 . 3402 . 5 1 5 . N N -0.905 3.053 0.789 . . . 1.0 . . . . . . . . . . . . E . 5 28J N . . . . . . . . . c50202_6yfy 1 . 3 . 3403 . 5 1 5 . O O -1.907 5.147 -0.625 . . . 1.0 . . . . . . . . . . . . E . 5 28J O . . . . . . . . . c50202_6yfy 1 . 3 . 3404 . 5 1 6 ILE C C -5.816 5.477 -1.120 . . . 1.0 . . . . . . . . . . . . E . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3405 . 5 1 6 ILE CA C -4.342 5.315 -1.456 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3406 . 5 1 6 ILE CB C -4.007 5.530 -2.996 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3407 . 5 1 6 ILE CD1 C -4.960 4.532 -5.120 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3408 . 5 1 6 ILE CG1 C -4.346 4.244 -3.761 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3409 . 5 1 6 ILE CG2 C -2.579 6.044 -3.323 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3410 . 5 1 6 ILE H H -4.406 3.341 -0.598 . . . 1.0 . . . . . . . . . . . . E . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3411 . 5 1 6 ILE HA H -3.813 6.098 -0.920 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3412 . 5 1 6 ILE HB H -4.685 6.291 -3.356 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3413 . 5 1 6 ILE HD11 H -5.969 4.899 -4.992 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3414 . 5 1 6 ILE HD12 H -4.997 3.624 -5.710 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3415 . 5 1 6 ILE HD13 H -4.366 5.266 -5.644 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3416 . 5 1 6 ILE HG12 H -3.450 3.668 -3.921 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3417 . 5 1 6 ILE HG13 H -5.059 3.661 -3.194 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3418 . 5 1 6 ILE HG21 H -2.436 7.021 -2.864 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3419 . 5 1 6 ILE HG22 H -2.434 6.134 -4.387 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3420 . 5 1 6 ILE HG23 H -1.843 5.363 -2.915 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3421 . 5 1 6 ILE N N -3.808 4.093 -0.914 . . . 1.0 . . . . . . . . . . . . E . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3422 . 5 1 6 ILE O O -6.525 4.453 -0.923 . . . 1.0 . . . . . . . . . . . . E . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3423 . 5 1 7 SER C C -7.956 8.486 -0.759 . . . 1.0 . . . . . . . . . . . . E . 7 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3424 . 5 1 7 SER CA C -7.605 7.012 -0.634 . . . 1.0 . . . . . . . . . . . . E . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3425 . 5 1 7 SER CB C -7.961 6.479 0.733 . . . 1.0 . . . . . . . . . . . . E . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3426 . 5 1 7 SER H H -5.590 7.506 -0.894 . . . 1.0 . . . . . . . . . . . . E . 7 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3427 . 5 1 7 SER HA H -8.182 6.469 -1.364 . . . 1.0 . . . . . . . . . . . . E . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3428 . 5 1 7 SER HB2 H -8.917 6.857 1.044 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3429 . 5 1 7 SER HB3 H -8.001 5.398 0.684 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3430 . 5 1 7 SER HG H -6.234 7.117 1.250 . . . 1.0 . . . . . . . . . . . . E . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3431 . 5 1 7 SER N N -6.239 6.744 -0.905 . . . 1.0 . . . . . . . . . . . . E . 7 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3432 . 5 1 7 SER O O -7.211 9.337 -1.322 . . . 1.0 . . . . . . . . . . . . E . 7 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3433 . 5 1 7 SER OG O -7.016 6.817 1.699 . . . 1.0 . . . . . . . . . . . . E . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3434 . 5 1 8 DTH C C -10.912 10.258 -1.262 . . . 1.0 . . . . . . . . . . . . E . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 3 . 3435 . 5 1 8 DTH CA C -9.791 9.994 -0.248 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 3 . 3436 . 5 1 8 DTH CB C -10.521 10.308 1.089 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 3 . 3437 . 5 1 8 DTH CG2 C -9.601 10.087 2.294 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3438 . 5 1 8 DTH H H -9.738 7.956 -0.068 . . . 1.0 . . . . . . . . . . . . E . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 3 . 3439 . 5 1 8 DTH HA H -9.046 10.747 -0.439 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 3 . 3440 . 5 1 8 DTH HB H -10.860 11.354 1.080 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 3 . 3441 . 5 1 8 DTH HG21 H -10.129 10.320 3.207 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3442 . 5 1 8 DTH HG22 H -8.718 10.703 2.217 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3443 . 5 1 8 DTH HG23 H -9.301 9.042 2.320 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3444 . 5 1 8 DTH N N -9.178 8.717 -0.297 . . . 1.0 . . . . . . . . . . . . E . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 3 . 3445 . 5 1 8 DTH O O -11.444 11.322 -1.047 . . . 1.0 . . . . . . . . . . . . E . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 3 . 3446 . 5 1 8 DTH OG1 O -11.708 9.510 1.175 . . . 1.0 . . . . . . . . . . . . E . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3447 . 5 1 9 ALA C C -13.902 9.328 -2.649 . . . 1.0 . . . . . . . . . . . . E . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3448 . 5 1 9 ALA CA C -12.464 9.163 -3.158 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3449 . 5 1 9 ALA CB C -12.464 7.787 -3.774 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3450 . 5 1 9 ALA H H -10.857 8.437 -2.067 . . . 1.0 . . . . . . . . . . . . E . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 3 . 3451 . 5 1 9 ALA HA H -12.246 9.870 -3.949 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3452 . 5 1 9 ALA HB1 H -11.805 7.745 -4.625 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3453 . 5 1 9 ALA HB2 H -13.472 7.545 -4.078 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3454 . 5 1 9 ALA HB3 H -12.142 7.079 -3.024 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3455 . 5 1 9 ALA N N -11.350 9.224 -2.127 . . . 1.0 . . . . . . . . . . . . E . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3456 . 5 1 9 ALA O O -14.702 10.129 -3.166 . . . 1.0 . . . . . . . . . . . . E . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3457 . 5 1 10 LEU C C -15.473 8.910 0.307 . . . 1.0 . . . . . . . . . . . . E . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 3 . 3458 . 5 1 10 LEU CA C -15.574 8.402 -1.105 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 3 . 3459 . 5 1 10 LEU CB C -16.119 6.937 -1.035 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 3 . 3460 . 5 1 10 LEU CD1 C -14.445 5.906 -2.533 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3461 . 5 1 10 LEU CD2 C -14.085 5.773 -0.083 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3462 . 5 1 10 LEU CG C -15.116 5.788 -1.199 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 3 . 3463 . 5 1 10 LEU H H -13.501 7.942 -1.361 . . . 1.0 . . . . . . . . . . . . E . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 3 . 3464 . 5 1 10 LEU HA H -16.250 9.021 -1.676 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 3 . 3465 . 5 1 10 LEU HB2 H -16.621 6.804 -0.090 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3466 . 5 1 10 LEU HB3 H -16.861 6.830 -1.819 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3467 . 5 1 10 LEU HD11 H -14.894 6.716 -3.091 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3468 . 5 1 10 LEU HD12 H -14.563 4.982 -3.082 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3469 . 5 1 10 LEU HD13 H -13.397 6.108 -2.388 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3470 . 5 1 10 LEU HD21 H -14.544 5.429 0.835 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 3 . 3471 . 5 1 10 LEU HD22 H -13.690 6.767 0.061 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 3 . 3472 . 5 1 10 LEU HD23 H -13.284 5.103 -0.355 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 3 . 3473 . 5 1 10 LEU HG H -15.650 4.842 -1.181 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 3 . 3474 . 5 1 10 LEU N N -14.220 8.478 -1.712 . . . 1.0 . . . . . . . . . . . . E . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 3 . 3475 . 5 1 10 LEU O O -16.420 9.452 0.888 . . . 1.0 . . . . . . . . . . . . E . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 3 . 3476 . 5 1 11 ILE C C -12.633 9.928 2.178 . . . 1.0 . . . . . . . . . . . . E . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3477 . 5 1 11 ILE CA C -13.919 9.119 2.189 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3478 . 5 1 11 ILE CB C -13.722 7.856 3.123 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3479 . 5 1 11 ILE CD1 C -14.952 5.849 4.215 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3480 . 5 1 11 ILE CG1 C -15.039 7.302 3.735 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3481 . 5 1 11 ILE CG2 C -12.790 8.223 4.260 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3482 . 5 1 11 ILE H H -13.489 8.635 0.150 . . . 1.0 . . . . . . . . . . . . E . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3483 . 5 1 11 ILE HA H -14.715 9.732 2.581 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3484 . 5 1 11 ILE HB H -13.247 7.077 2.543 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3485 . 5 1 11 ILE HD11 H -14.174 5.757 4.961 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3486 . 5 1 11 ILE HD12 H -14.726 5.200 3.382 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3487 . 5 1 11 ILE HD13 H -15.898 5.550 4.652 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3488 . 5 1 11 ILE HG12 H -15.309 7.906 4.589 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3489 . 5 1 11 ILE HG13 H -15.831 7.360 3.000 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3490 . 5 1 11 ILE HG21 H -13.279 8.947 4.898 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3491 . 5 1 11 ILE HG22 H -11.883 8.648 3.861 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3492 . 5 1 11 ILE HG23 H -12.557 7.340 4.834 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3493 . 5 1 11 ILE N N -14.245 8.799 0.800 . . . 1.0 . . . . . . . . . . . . E . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3494 . 6 3 1 . C1 C -7.665 -8.010 7.751 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3495 . 6 3 1 . C10 C -4.800 -10.985 10.361 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 3 . 3496 . 6 3 1 . C11 C -3.788 -8.966 8.941 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 3 . 3497 . 6 3 1 . C2 C -6.370 -8.689 7.351 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3498 . 6 3 1 . C3 C -6.521 -10.192 7.444 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3499 . 6 3 1 . C4 C -7.673 -10.565 8.384 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3500 . 6 3 1 . C5 C -8.993 -10.016 7.871 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3501 . 6 3 1 . C6 C -9.966 -9.815 9.016 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 3 . 3502 . 6 3 1 . C7 C -6.133 -9.116 4.959 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 3 . 3503 . 6 3 1 . C8 C -5.621 -8.743 3.574 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 3 . 3504 . 6 3 1 . C9 C -4.720 -10.213 9.050 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 3 . 3505 . 6 3 1 . H1 H -7.827 -8.024 8.829 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3506 . 6 3 1 . H111 H -3.320 -8.926 7.938 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 3 . 3507 . 6 3 1 . H112 H -3.006 -9.065 9.634 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 3 . 3508 . 6 3 1 . H113 H -4.331 -8.047 9.172 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 3 . 3509 . 6 3 1 . H2 H -5.631 -8.204 8.034 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3510 . 6 3 1 . H3 H -6.619 -10.625 6.439 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 3 . 3511 . 6 3 1 . H4A H -7.422 -10.441 9.429 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 3 . 3512 . 6 3 1 . H5 H -9.510 -10.619 7.275 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 3 . 3513 . 6 3 1 . H61 H -9.905 -10.735 9.637 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 3 . 3514 . 6 3 1 . H62 H -11.037 -9.619 8.734 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 3 . 3515 . 6 3 1 . H81 H -4.544 -8.634 3.605 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 3 . 3516 . 6 3 1 . H82 H -6.064 -7.823 3.248 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 3 . 3517 . 6 3 1 . H83 H -5.901 -9.534 2.876 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 3 . 3518 . 6 3 1 . H9 H -5.670 -9.849 9.313 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 3 . 3519 . 6 3 1 . HN2 H -5.346 -7.507 5.923 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3520 . 6 3 1 . HO6 H -9.842 -7.932 9.792 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 3521 . 6 3 1 . N2 N -5.904 -8.295 5.992 . . . 1.0 . . . . . . . . . . . . C . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 3 . 3522 . 6 3 1 . O1 O -7.714 -6.704 7.272 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 3 . 3523 . 6 3 1 . O10 O -3.807 -10.983 11.096 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 3 . 3524 . 6 3 1 . O3 O -5.273 -10.804 7.852 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 3 . 3525 . 6 3 1 . O4 O -7.696 -12.007 8.538 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 3 . 3526 . 6 3 1 . O5 O -8.791 -8.744 7.214 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 3 . 3527 . 6 3 1 . O6 O -9.463 -8.820 9.888 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 3 . 3528 . 6 3 1 . O7 O -6.824 -10.138 5.081 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 3 . 3529 . 7 1 1 . C C -7.405 13.334 -3.102 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 3 . 3530 . 7 1 1 . C10 C -7.588 15.919 -1.582 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 3 . 3531 . 7 1 1 . CA C -7.797 14.699 -3.710 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3532 . 7 1 1 . CB C -9.327 14.845 -3.703 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3533 . 7 1 1 . CD1 C -10.002 14.387 -6.093 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3534 . 7 1 1 . CD2 C -10.723 12.867 -4.390 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3535 . 7 1 1 . CE1 C -10.659 13.624 -7.051 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3536 . 7 1 1 . CE2 C -11.377 12.104 -5.343 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3537 . 7 1 1 . CG C -10.028 14.017 -4.750 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 3 . 3538 . 7 1 1 . CZ C -11.344 12.481 -6.673 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3539 . 7 1 1 . H H -7.434 16.744 -3.447 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 3 . 3540 . 7 1 1 . H11 H -7.034 16.698 -1.073 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 3 . 3541 . 7 1 1 . H12 H -7.396 14.972 -1.099 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 3 . 3542 . 7 1 1 . H13 H -8.645 16.140 -1.534 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 3 . 3543 . 7 1 1 . HA H -7.456 14.725 -4.735 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3544 . 7 1 1 . HB2 H -9.702 14.546 -2.737 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3545 . 7 1 1 . HB3 H -9.583 15.882 -3.876 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3546 . 7 1 1 . HD1 H -9.466 15.275 -6.388 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3547 . 7 1 1 . HD2 H -10.748 12.567 -3.352 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3548 . 7 1 1 . HE1 H -10.633 13.921 -8.089 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3549 . 7 1 1 . HE2 H -11.912 11.214 -5.048 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3550 . 7 1 1 . HN2 H -6.116 15.762 -3.049 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3551 . 7 1 1 . HZ H -11.855 11.887 -7.417 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 3 . 3552 . 7 1 1 . N N -7.159 15.854 -2.989 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 3 . 3553 . 7 1 1 . O O -8.020 12.874 -2.142 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 3 . 3554 . 7 1 2 ILE C C -4.900 11.534 -2.055 . . . 1.0 . . . . . . . . . . . . F . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3555 . 7 1 2 ILE CA C -5.894 11.373 -3.226 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3556 . 7 1 2 ILE CB C -5.261 10.633 -4.458 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3557 . 7 1 2 ILE CD1 C -5.185 8.482 -5.792 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3558 . 7 1 2 ILE CG1 C -5.688 9.173 -4.567 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3559 . 7 1 2 ILE CG2 C -3.734 10.719 -4.432 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3560 . 7 1 2 ILE H H -5.891 13.157 -4.394 . . . 1.0 . . . . . . . . . . . . F . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3561 . 7 1 2 ILE HA H -6.752 10.817 -2.883 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3562 . 7 1 2 ILE HB H -5.599 11.149 -5.354 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3563 . 7 1 2 ILE HD11 H -4.129 8.287 -5.682 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3564 . 7 1 2 ILE HD12 H -5.350 9.118 -6.641 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3565 . 7 1 2 ILE HD13 H -5.716 7.552 -5.917 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3566 . 7 1 2 ILE HG12 H -5.335 8.629 -3.719 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3567 . 7 1 2 ILE HG13 H -6.766 9.137 -4.603 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3568 . 7 1 2 ILE HG21 H -3.423 11.750 -4.305 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3569 . 7 1 2 ILE HG22 H -3.340 10.343 -5.365 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3570 . 7 1 2 ILE HG23 H -3.346 10.126 -3.616 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3571 . 7 1 2 ILE N N -6.371 12.707 -3.669 . . . 1.0 . . . . . . . . . . . . F . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3572 . 7 1 2 ILE O O -4.133 12.502 -2.041 . . . 1.0 . . . . . . . . . . . . F . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3573 . 7 1 3 SER C C -3.411 9.439 0.516 . . . 1.0 . . . . . . . . . . . . F . 3 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3574 . 7 1 3 SER CA C -3.981 10.781 0.065 . . . 1.0 . . . . . . . . . . . . F . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3575 . 7 1 3 SER CB C -4.639 11.560 1.232 . . . 1.0 . . . . . . . . . . . . F . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3576 . 7 1 3 SER H H -5.524 9.825 -1.083 . . . 1.0 . . . . . . . . . . . . F . 3 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3577 . 7 1 3 SER HA H -3.147 11.374 -0.297 . . . 1.0 . . . . . . . . . . . . F . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3578 . 7 1 3 SER HB2 H -4.069 11.411 2.141 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3579 . 7 1 3 SER HB3 H -4.622 12.615 0.986 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3580 . 7 1 3 SER HG H -6.563 11.565 0.826 . . . 1.0 . . . . . . . . . . . . F . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3581 . 7 1 3 SER N N -4.910 10.625 -1.056 . . . 1.0 . . . . . . . . . . . . F . 3 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3582 . 7 1 3 SER O O -3.901 8.357 0.130 . . . 1.0 . . . . . . . . . . . . F . 3 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3583 . 7 1 3 SER OG O -5.984 11.180 1.481 . . . 1.0 . . . . . . . . . . . . F . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3584 . 7 1 4 . C C -0.230 8.342 1.286 . . . 1.0 . . . . . . . . . . . . F . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 3 . 3585 . 7 1 4 . CA C -1.647 8.361 1.807 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 3 . 3586 . 7 1 4 . CB C -1.652 8.394 3.351 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 3 . 3587 . 7 1 4 . CD C -3.967 8.825 4.156 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 3 . 3588 . 7 1 4 . CG C -2.587 9.441 3.952 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 3 . 3589 . 7 1 4 . CZ C -6.038 9.545 5.225 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 3 . 3590 . 7 1 4 . H H -1.901 10.413 1.409 . . . 1.0 . . . . . . . . . . . . F . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 3 . 3591 . 7 1 4 . HA H -2.162 7.476 1.458 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 3 . 3592 . 7 1 4 . HB2 H -0.646 8.581 3.700 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3593 . 7 1 4 . HB3 H -1.970 7.425 3.711 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3594 . 7 1 4 . HD2 H -3.835 7.765 4.320 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3595 . 7 1 4 . HD3 H -4.536 8.976 3.259 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3596 . 7 1 4 . HE H -4.239 9.670 6.063 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 3 . 3597 . 7 1 4 . HG2 H -2.663 10.288 3.281 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3598 . 7 1 4 . HG3 H -2.187 9.769 4.906 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3599 . 7 1 4 . HH11 H -7.684 10.195 6.277 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 3 . 3600 . 7 1 4 . HH12 H -6.098 10.331 7.116 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 3 . 3601 . 7 1 4 . HH21 H -7.736 9.333 4.074 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 3 . 3602 . 7 1 4 . HH22 H -6.209 8.706 3.358 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 3 . 3603 . 7 1 4 . N N -2.312 9.528 1.263 . . . 1.0 . . . . . . . . . . . . F . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 3 . 3604 . 7 1 4 . NE N -4.726 9.382 5.269 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 3 . 3605 . 7 1 4 . NH1 N -6.649 10.058 6.282 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 3 . 3606 . 7 1 4 . NH2 N -6.718 9.164 4.134 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 3 . 3607 . 7 1 4 . O O 0.485 9.334 1.424 . . . 1.0 . . . . . . . . . . . . F . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 3 . 3608 . 7 1 5 . C C 2.097 5.718 0.278 . . . 1.0 . . . . . . . . . . . . F . 5 28J C . . . . . . . . . c50202_6yfy 1 . 3 . 3609 . 7 1 5 . CA C 1.521 7.157 0.120 . . . 1.0 . . . . . . . . . . . . F . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 3 . 3610 . 7 1 5 . CB C 1.616 7.671 -1.366 . . . 1.0 . . . . . . . . . . . . F . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 3 . 3611 . 7 1 5 . CD1 C 1.108 7.040 -3.809 . . . 1.0 . . . . . . . . . . . . F . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3612 . 7 1 5 . CG1 C 1.135 6.596 -2.350 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3613 . 7 1 5 . CG2 C 3.058 8.043 -1.736 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3614 . 7 1 5 . H21 H 2.125 7.817 0.727 . . . 1.0 . . . . . . . . . . . . F . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 3 . 3615 . 7 1 5 . H22 H 1.005 8.553 -1.468 . . . 1.0 . . . . . . . . . . . . F . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 3 . 3616 . 7 1 5 . H23 H 3.072 8.499 -2.715 . . . 1.0 . . . . . . . . . . . . F . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 3 . 3617 . 7 1 5 . H24 H 3.680 7.160 -1.742 . . . 1.0 . . . . . . . . . . . . F . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 3 . 3618 . 7 1 5 . H25 H 3.444 8.748 -1.012 . . . 1.0 . . . . . . . . . . . . F . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 3 . 3619 . 7 1 5 . H26 H 0.141 6.285 -2.076 . . . 1.0 . . . . . . . . . . . . F . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 3 . 3620 . 7 1 5 . H27 H 1.803 5.749 -2.287 . . . 1.0 . . . . . . . . . . . . F . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 3 . 3621 . 7 1 5 . H28 H 0.608 6.292 -4.408 . . . 1.0 . . . . . . . . . . . . F . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 3 . 3622 . 7 1 5 . H29 H 2.117 7.172 -4.169 . . . 1.0 . . . . . . . . . . . . F . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 3 . 3623 . 7 1 5 . H30 H 0.573 7.976 -3.888 . . . 1.0 . . . . . . . . . . . . F . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 3 . 3624 . 7 1 5 . N N 0.168 7.246 0.650 . . . 1.0 . . . . . . . . . . . . F . 5 28J N . . . . . . . . . c50202_6yfy 1 . 3 . 3625 . 7 1 5 . O O 1.396 4.747 0.578 . . . 1.0 . . . . . . . . . . . . F . 5 28J O . . . . . . . . . c50202_6yfy 1 . 3 . 3626 . 7 1 6 ILE C C 5.187 4.360 1.360 . . . 1.0 . . . . . . . . . . . . F . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3627 . 7 1 6 ILE CA C 4.096 4.320 0.276 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3628 . 7 1 6 ILE CB C 4.680 3.944 -1.123 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3629 . 7 1 6 ILE CD1 C 6.708 4.361 -2.605 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3630 . 7 1 6 ILE CG1 C 5.815 4.889 -1.541 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3631 . 7 1 6 ILE CG2 C 3.565 3.866 -2.199 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3632 . 7 1 6 ILE H H 3.940 6.423 0.062 . . . 1.0 . . . . . . . . . . . . F . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3633 . 7 1 6 ILE HA H 3.368 3.568 0.546 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3634 . 7 1 6 ILE HB H 5.082 2.948 -1.032 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3635 . 7 1 6 ILE HD11 H 7.126 3.415 -2.295 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3636 . 7 1 6 ILE HD12 H 7.507 5.068 -2.784 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3637 . 7 1 6 ILE HD13 H 6.133 4.227 -3.501 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3638 . 7 1 6 ILE HG12 H 5.393 5.794 -1.926 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3639 . 7 1 6 ILE HG13 H 6.429 5.111 -0.685 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3640 . 7 1 6 ILE HG21 H 3.771 3.056 -2.890 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3641 . 7 1 6 ILE HG22 H 3.495 4.797 -2.747 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3642 . 7 1 6 ILE HG23 H 2.620 3.674 -1.708 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3643 . 7 1 6 ILE N N 3.409 5.611 0.178 . . . 1.0 . . . . . . . . . . . . F . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3644 . 7 1 6 ILE O O 5.927 5.342 1.443 . . . 1.0 . . . . . . . . . . . . F . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 3 . 3645 . 7 1 7 SER C C 6.611 1.889 3.692 . . . 1.0 . . . . . . . . . . . . F . 7 SER C . . . . . . . . . c50202_6yfy 1 . 3 . 3646 . 7 1 7 SER CA C 6.285 3.304 3.274 . . . 1.0 . . . . . . . . . . . . F . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 3 . 3647 . 7 1 7 SER CB C 5.830 3.998 4.542 . . . 1.0 . . . . . . . . . . . . F . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 3 . 3648 . 7 1 7 SER H H 4.609 2.566 2.192 . . . 1.0 . . . . . . . . . . . . F . 7 SER H . . . . . . . . . c50202_6yfy 1 . 3 . 3649 . 7 1 7 SER HA H 7.175 3.796 2.897 . . . 1.0 . . . . . . . . . . . . F . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 3 . 3650 . 7 1 7 SER HB2 H 6.411 3.622 5.379 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3651 . 7 1 7 SER HB3 H 5.969 5.062 4.455 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3652 . 7 1 7 SER HG H 3.985 3.711 3.955 . . . 1.0 . . . . . . . . . . . . F . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 3 . 3653 . 7 1 7 SER N N 5.261 3.327 2.235 . . . 1.0 . . . . . . . . . . . . F . 7 SER N . . . . . . . . . c50202_6yfy 1 . 3 . 3654 . 7 1 7 SER O O 6.153 0.884 3.091 . . . 1.0 . . . . . . . . . . . . F . 7 SER O . . . . . . . . . c50202_6yfy 1 . 3 . 3655 . 7 1 7 SER OG O 4.460 3.724 4.780 . . . 1.0 . . . . . . . . . . . . F . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 3 . 3656 . 7 1 8 DTH C C 9.084 0.172 4.731 . . . 1.0 . . . . . . . . . . . . F . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 3 . 3657 . 7 1 8 DTH CA C 7.696 0.546 5.349 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 3 . 3658 . 7 1 8 DTH CB C 7.838 0.562 6.881 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 3 . 3659 . 7 1 8 DTH CG2 C 6.633 1.261 7.467 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3660 . 7 1 8 DTH H H 7.630 2.660 5.247 . . . 1.0 . . . . . . . . . . . . F . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 3 . 3661 . 7 1 8 DTH HA H 6.972 -0.187 5.059 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 3 . 3662 . 7 1 8 DTH HB H 7.881 -0.464 7.247 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 3 . 3663 . 7 1 8 DTH HG21 H 6.682 1.201 8.542 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3664 . 7 1 8 DTH HG22 H 5.723 0.786 7.122 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3665 . 7 1 8 DTH HG23 H 6.635 2.297 7.165 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3666 . 7 1 8 DTH N N 7.317 1.817 4.796 . . . 1.0 . . . . . . . . . . . . F . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 3 . 3667 . 7 1 8 DTH O O 9.417 -1.010 4.696 . . . 1.0 . . . . . . . . . . . . F . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 3 . 3668 . 7 1 8 DTH OG1 O 9.068 1.187 7.284 . . . 1.0 . . . . . . . . . . . . F . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3669 . 7 1 9 ALA C C 11.990 0.767 4.825 . . . 1.0 . . . . . . . . . . . . F . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3670 . 7 1 9 ALA CA C 11.007 1.057 3.688 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3671 . 7 1 9 ALA CB C 11.250 2.381 2.932 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3672 . 7 1 9 ALA H H 9.458 2.069 4.348 . . . 1.0 . . . . . . . . . . . . F . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 3 . 3673 . 7 1 9 ALA HA H 10.968 0.245 2.980 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3674 . 7 1 9 ALA HB1 H 11.108 3.222 3.617 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3675 . 7 1 9 ALA HB2 H 10.577 2.481 2.117 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3676 . 7 1 9 ALA HB3 H 12.272 2.406 2.571 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3677 . 7 1 9 ALA N N 9.786 1.184 4.270 . . . 1.0 . . . . . . . . . . . . F . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3678 . 7 1 9 ALA O O 12.183 -0.388 5.222 . . . 1.0 . . . . . . . . . . . . F . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3679 . 7 1 10 LEU C C 12.887 1.552 7.828 . . . 1.0 . . . . . . . . . . . . F . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 3 . 3680 . 7 1 10 LEU CA C 13.535 1.747 6.472 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 3 . 3681 . 7 1 10 LEU CB C 14.373 3.029 6.490 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 3 . 3682 . 7 1 10 LEU CD1 C 12.968 4.500 5.085 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3683 . 7 1 10 LEU CD2 C 12.464 4.410 7.483 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3684 . 7 1 10 LEU CG C 13.579 4.347 6.443 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 3 . 3685 . 7 1 10 LEU H H 12.323 2.707 5.015 . . . 1.0 . . . . . . . . . . . . F . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 3 . 3686 . 7 1 10 LEU HA H 14.180 0.908 6.268 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 3 . 3687 . 7 1 10 LEU HB2 H 14.988 3.027 7.378 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3688 . 7 1 10 LEU HB3 H 15.026 3.004 5.627 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3689 . 7 1 10 LEU HD11 H 13.162 5.492 4.710 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3690 . 7 1 10 LEU HD12 H 11.901 4.339 5.150 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3691 . 7 1 10 LEU HD13 H 13.401 3.771 4.420 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3692 . 7 1 10 LEU HD21 H 11.674 3.726 7.205 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 3 . 3693 . 7 1 10 LEU HD22 H 12.068 5.416 7.522 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 3 . 3694 . 7 1 10 LEU HD23 H 12.854 4.138 8.443 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 3 . 3695 . 7 1 10 LEU HG H 14.254 5.180 6.609 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 3 . 3696 . 7 1 10 LEU N N 12.543 1.828 5.388 . . . 1.0 . . . . . . . . . . . . F . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 3 . 3697 . 7 1 10 LEU O O 13.537 1.211 8.815 . . . 1.0 . . . . . . . . . . . . F . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 3 . 3698 . 7 1 11 ILE C C 9.438 0.963 8.650 . . . 1.0 . . . . . . . . . . . . F . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 3 . 3699 . 7 1 11 ILE CA C 10.770 1.599 9.028 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 3 . 3700 . 7 1 11 ILE CB C 10.509 2.964 9.725 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 3 . 3701 . 7 1 11 ILE CD1 C 11.570 4.750 11.235 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 3 . 3702 . 7 1 11 ILE CG1 C 11.637 3.326 10.707 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 3 . 3703 . 7 1 11 ILE CG2 C 9.186 2.914 10.466 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3704 . 7 1 11 ILE H H 11.159 1.855 6.937 . . . 1.0 . . . . . . . . . . . . F . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 3 . 3705 . 7 1 11 ILE HA H 11.286 0.947 9.722 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 3 . 3706 . 7 1 11 ILE HB H 10.440 3.725 8.964 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 3 . 3707 . 7 1 11 ILE HD11 H 10.632 4.903 11.751 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 3 . 3708 . 7 1 11 ILE HD12 H 11.642 5.447 10.412 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 3 . 3709 . 7 1 11 ILE HD13 H 12.387 4.921 11.922 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 3 . 3710 . 7 1 11 ILE HG12 H 11.587 2.662 11.558 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 3 . 3711 . 7 1 11 ILE HG13 H 12.589 3.198 10.216 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 3 . 3712 . 7 1 11 ILE HG21 H 9.236 2.160 11.239 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 3 . 3713 . 7 1 11 ILE HG22 H 8.394 2.670 9.774 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 3 . 3714 . 7 1 11 ILE HG23 H 8.990 3.876 10.915 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 3 . 3715 . 7 1 11 ILE N N 11.591 1.722 7.823 . . . 1.0 . . . . . . . . . . . . F . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 3 . 3716 . 8 4 1 . C1 C -7.458 -12.764 7.349 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3717 . 8 4 1 . C2 C -7.488 -14.235 7.671 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3718 . 8 4 1 . C3 C -7.192 -15.040 6.431 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3719 . 8 4 1 . C4 C -8.111 -14.613 5.276 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3720 . 8 4 1 . C5 C -8.082 -13.092 5.093 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3721 . 8 4 1 . C6 C -9.046 -12.592 4.021 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 3 . 3722 . 8 4 1 . C7 C -5.240 -14.527 8.565 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 3 . 3723 . 8 4 1 . C8 C -4.349 -14.847 9.758 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 3 . 3724 . 8 4 1 . H1 H -6.449 -12.460 7.044 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3725 . 8 4 1 . H2 H -8.265 -14.640 8.124 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3726 . 8 4 1 . H3 H -6.170 -14.882 6.102 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 3 . 3727 . 8 4 1 . H4 H -9.094 -15.119 5.488 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 3 . 3728 . 8 4 1 . H5 H -7.128 -12.711 4.738 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 3 . 3729 . 8 4 1 . H61 H -10.055 -13.028 4.131 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 3 . 3730 . 8 4 1 . H62 H -8.662 -12.940 3.048 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 3 . 3731 . 8 4 1 . H81 H -4.422 -14.041 10.476 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 3 . 3732 . 8 4 1 . H82 H -3.326 -14.937 9.434 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 3 . 3733 . 8 4 1 . H83 H -4.665 -15.788 10.196 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 3 . 3734 . 8 4 1 . HN2 H -6.892 -14.672 9.652 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3735 . 8 4 1 . HO3 H -6.818 -16.716 7.377 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 3 . 3736 . 8 4 1 . HO4 H -7.472 -16.168 4.274 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 3 . 3737 . 8 4 1 . HO6 H -8.388 -10.843 4.448 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 3738 . 8 4 1 . N2 N -6.550 -14.532 8.752 . . . 1.0 . . . . . . . . . . . . C . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 3 . 3739 . 8 4 1 . O3 O -7.393 -16.423 6.692 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 3 . 3740 . 8 4 1 . O4 O -7.676 -15.242 4.078 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 3 . 3741 . 8 4 1 . O5 O -8.414 -12.446 6.328 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 3 . 3742 . 8 4 1 . O6 O -9.214 -11.180 4.082 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 3 . 3743 . 8 4 1 . O7 O -4.734 -14.352 7.457 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 3 . 3744 . 9 5 1 ALA C C -7.641 -13.042 11.824 . . . 1.0 . . . . . . . . . . . . C . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3745 . 9 5 1 ALA CA C -6.213 -12.484 11.839 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3746 . 9 5 1 ALA CB C -6.107 -11.565 13.002 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3747 . 9 5 1 ALA H1 H -6.583 -11.809 9.867 . . . 1.0 . . . . . . . . . . . . C . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3748 . 9 5 1 ALA HA H -5.465 -13.281 11.977 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3749 . 9 5 1 ALA HB1 H -5.107 -11.156 13.043 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3750 . 9 5 1 ALA HB2 H -6.327 -12.108 13.917 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3751 . 9 5 1 ALA HB3 H -6.817 -10.795 12.845 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3752 . 9 5 1 ALA N N -5.940 -11.724 10.594 . . . 1.0 . . . . . . . . . . . . C . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3753 . 9 5 1 ALA O O -8.410 -12.863 10.813 . . . 1.0 . . . . . . . . . . . . C . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3754 . 9 5 2 . C C -10.518 -13.307 12.335 . . . 1.0 . . . . . . . . . . . . C . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 3 . 3755 . 9 5 2 . CA C -9.445 -14.278 13.043 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3756 . 9 5 2 . CB C -9.658 -15.571 12.181 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3757 . 9 5 2 . CD C -10.173 -15.794 9.635 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 3 . 3758 . 9 5 2 . CG C -9.091 -15.560 10.716 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 3 . 3759 . 9 5 2 . H H -7.408 -13.887 13.684 . . . 1.0 . . . . . . . . . . . . C . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 3 . 3760 . 9 5 2 . HA H -9.594 -14.373 14.119 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3761 . 9 5 2 . HB2 H -10.751 -15.680 12.155 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3762 . 9 5 2 . HB3 H -9.250 -16.404 12.726 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3763 . 9 5 2 . HG2 H -8.400 -16.373 10.668 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3764 . 9 5 2 . HG3 H -8.575 -14.631 10.491 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3765 . 9 5 2 . N N -8.004 -13.799 12.953 . . . 1.0 . . . . . . . . . . . . C . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 3 . 3766 . 9 5 2 . O O -10.298 -12.086 12.409 . . . 1.0 . . . . . . . . . . . . C . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 3 . 3767 . 9 5 2 . OE1 O -10.513 -16.951 9.331 . . . 1.0 . . . . . . . . . . . . C . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3768 . 9 5 3 LYS C C -13.111 -15.096 8.535 . . . 1.0 . . . . . . . . . . . . C . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 3 . 3769 . 9 5 3 LYS CA C -11.674 -14.789 8.013 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 3 . 3770 . 9 5 3 LYS CB C -11.122 -15.595 6.822 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 3 . 3771 . 9 5 3 LYS CD C -12.770 -14.457 5.061 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 3 . 3772 . 9 5 3 LYS CE C -13.437 -13.057 5.459 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 3 . 3773 . 9 5 3 LYS CG C -11.291 -14.771 5.536 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 3 . 3774 . 9 5 3 LYS H H -10.348 -13.869 9.339 . . . 1.0 . . . . . . . . . . . . C . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 3 . 3775 . 9 5 3 LYS HA H -11.724 -13.778 7.654 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 3 . 3776 . 9 5 3 LYS HB2 H -10.047 -15.784 6.980 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3777 . 9 5 3 LYS HB3 H -11.622 -16.558 6.716 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3778 . 9 5 3 LYS HD2 H -12.827 -14.663 3.996 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3779 . 9 5 3 LYS HD3 H -13.325 -15.145 5.580 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3780 . 9 5 3 LYS HE2 H -12.589 -12.397 5.640 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3781 . 9 5 3 LYS HE3 H -14.138 -12.984 4.628 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 3 . 3782 . 9 5 3 LYS HG2 H -10.737 -13.859 5.685 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3783 . 9 5 3 LYS HG3 H -10.823 -15.332 4.738 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3784 . 9 5 3 LYS HZ1 H -15.425 -12.452 6.279 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 3 . 3785 . 9 5 3 LYS HZ2 H -14.079 -11.922 7.109 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 3 . 3786 . 9 5 3 LYS HZ3 H -14.507 -13.518 7.195 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 3 . 3787 . 9 5 3 LYS N N -10.661 -14.745 9.047 . . . 1.0 . . . . . . . . . . . . C . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 3 . 3788 . 9 5 3 LYS NZ N -14.441 -12.727 6.617 . . . 1.0 . . . . . . . . . . . . C . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 3 . 3789 . 9 5 3 LYS O O -13.989 -15.592 7.795 . . . 1.0 . . . . . . . . . . . . C . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 3 . 3790 . 9 5 4 DAL C C -15.144 -13.471 10.484 . . . 1.0 . . . . . . . . . . . . C . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3791 . 9 5 4 DAL CA C -14.404 -14.916 10.921 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3792 . 9 5 4 DAL CB C -15.133 -16.412 11.270 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3793 . 9 5 4 DAL H H -12.286 -14.617 10.270 . . . 1.0 . . . . . . . . . . . . C . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3794 . 9 5 4 DAL HA H -14.257 -14.939 12.001 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3795 . 9 5 4 DAL HB1 H -15.710 -16.788 10.427 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3796 . 9 5 4 DAL HB2 H -15.815 -16.353 12.135 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3797 . 9 5 4 DAL HB3 H -14.374 -17.212 11.513 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3798 . 9 5 4 DAL N N -13.163 -14.860 9.909 . . . 1.0 . . . . . . . . . . . . C . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 3799 . 9 5 4 DAL O O -16.220 -13.377 9.911 . . . 1.0 . . . . . . . . . . . . C . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 3 . 3800 . 9 5 5 DAL C C -14.910 -10.755 8.959 . . . 1.0 . . . . . . . . . . . . C . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3801 . 9 5 5 DAL CA C -14.758 -10.728 10.628 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3802 . 9 5 5 DAL CB C -16.219 -10.898 11.351 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3803 . 9 5 5 DAL H H -13.434 -12.555 11.027 . . . 1.0 . . . . . . . . . . . . C . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3804 . 9 5 5 DAL HA H -14.169 -9.888 10.995 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3805 . 9 5 5 DAL HB1 H -16.169 -10.864 12.421 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3806 . 9 5 5 DAL HB2 H -16.520 -11.835 11.020 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3807 . 9 5 5 DAL HB3 H -16.948 -10.119 10.993 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3808 . 9 5 5 DAL N N -14.404 -12.339 10.753 . . . 1.0 . . . . . . . . . . . . C . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 3809 . 10 3 1 . C1 C 12.735 -2.406 -3.136 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3810 . 10 3 1 . C10 C 15.676 1.530 -3.333 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 3 . 3811 . 10 3 1 . C11 C 14.345 1.285 -1.030 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 3 . 3812 . 10 3 1 . C2 C 12.623 -0.978 -2.600 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3813 . 10 3 1 . C3 C 12.626 0.033 -3.748 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3814 . 10 3 1 . C4 C 13.426 -0.536 -4.932 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3815 . 10 3 1 . C5 C 12.770 -1.812 -5.461 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3816 . 10 3 1 . C6 C 13.794 -2.765 -6.032 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 3 . 3817 . 10 3 1 . C7 C 10.291 -0.327 -2.294 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 3 . 3818 . 10 3 1 . C8 C 9.083 -0.054 -1.416 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 3 . 3819 . 10 3 1 . C9 C 14.365 1.280 -2.593 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 3 . 3820 . 10 3 1 . H1 H 13.738 -2.725 -3.351 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3821 . 10 3 1 . H111 H 13.659 2.072 -0.657 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 3 . 3822 . 10 3 1 . H112 H 15.303 1.532 -0.675 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 3 . 3823 . 10 3 1 . H113 H 14.084 0.299 -0.638 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 3 . 3824 . 10 3 1 . H2 H 13.459 -0.889 -1.872 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3825 . 10 3 1 . H3 H 11.607 0.363 -3.975 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 3 . 3826 . 10 3 1 . H4A H 14.496 -0.520 -4.750 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 3 . 3827 . 10 3 1 . H5 H 12.200 -1.723 -6.251 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 3 . 3828 . 10 3 1 . H61 H 14.110 -2.363 -7.020 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 3 . 3829 . 10 3 1 . H62 H 13.434 -3.832 -6.129 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 3 . 3830 . 10 3 1 . H81 H 8.840 -0.948 -0.855 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 3 . 3831 . 10 3 1 . H82 H 8.242 0.228 -2.019 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 3 . 3832 . 10 3 1 . H83 H 9.324 0.765 -0.738 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 3 . 3833 . 10 3 1 . H9 H 14.476 0.273 -2.884 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 3 . 3834 . 10 3 1 . HN2 H 11.562 -0.828 -0.782 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3835 . 10 3 1 . HO6 H 15.723 -2.301 -5.701 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 3836 . 10 3 1 . N2 N 11.430 -0.767 -1.740 . . . 1.0 . . . . . . . . . . . . D . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 3 . 3837 . 10 3 1 . O1 O 12.255 -3.378 -2.247 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 3 . 3838 . 10 3 1 . O10 O 16.621 2.010 -2.695 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 3 . 3839 . 10 3 1 . O3 O 13.119 1.330 -3.321 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 3 . 3840 . 10 3 1 . O4 O 13.536 0.479 -5.959 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 3 . 3841 . 10 3 1 . O5 O 12.050 -2.500 -4.406 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 3 . 3842 . 10 3 1 . O6 O 14.969 -2.702 -5.251 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 3 . 3843 . 10 3 1 . O7 O 10.161 -0.231 -3.521 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 3 . 3844 . 11 5 1 ALA C C 16.651 0.822 -6.927 . . . 1.0 . . . . . . . . . . . . D . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3845 . 11 5 1 ALA CA C 16.923 1.372 -5.532 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3846 . 11 5 1 ALA CB C 18.002 0.535 -4.946 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3847 . 11 5 1 ALA H1 H 14.874 1.033 -5.126 . . . 1.0 . . . . . . . . . . . . D . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3848 . 11 5 1 ALA HA H 17.288 2.413 -5.557 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3849 . 11 5 1 ALA HB1 H 18.219 0.883 -3.945 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3850 . 11 5 1 ALA HB2 H 18.892 0.597 -5.565 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3851 . 11 5 1 ALA HB3 H 17.631 -0.456 -4.921 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3852 . 11 5 1 ALA N N 15.713 1.256 -4.683 . . . 1.0 . . . . . . . . . . . . D . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3853 . 11 5 1 ALA O O 15.743 1.356 -7.677 . . . 1.0 . . . . . . . . . . . . D . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3854 . 11 5 2 . C C 15.583 -0.950 -9.034 . . . 1.0 . . . . . . . . . . . . D . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 3 . 3855 . 11 5 2 . CA C 17.146 -0.888 -8.676 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3856 . 11 5 2 . CB C 17.632 0.032 -9.886 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3857 . 11 5 2 . CD C 16.605 2.283 -10.711 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 3 . 3858 . 11 5 2 . CG C 17.542 1.585 -9.695 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 3 . 3859 . 11 5 2 . H H 18.125 -0.601 -6.766 . . . 1.0 . . . . . . . . . . . . D . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 3 . 3860 . 11 5 2 . HA H 17.616 -1.867 -8.576 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3861 . 11 5 2 . HB2 H 16.962 -0.275 -10.710 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3862 . 11 5 2 . HB3 H 18.628 -0.257 -10.146 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3863 . 11 5 2 . HG2 H 18.530 1.953 -9.856 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3864 . 11 5 2 . HG3 H 17.213 1.852 -8.692 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3865 . 11 5 2 . N N 17.462 -0.251 -7.339 . . . 1.0 . . . . . . . . . . . . D . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 3 . 3866 . 11 5 2 . O O 15.172 -0.299 -10.096 . . . 1.0 . . . . . . . . . . . . D . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 3 . 3867 . 11 5 2 . OE1 O 17.072 2.764 -11.761 . . . 1.0 . . . . . . . . . . . . D . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3868 . 11 5 3 LYS C C 14.043 2.216 -12.551 . . . 1.0 . . . . . . . . . . . . D . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 3 . 3869 . 11 5 3 LYS CA C 14.348 2.992 -11.234 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 3 . 3870 . 11 5 3 LYS CB C 14.637 4.503 -11.304 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 3 . 3871 . 11 5 3 LYS CD C 12.220 5.193 -12.195 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 3 . 3872 . 11 5 3 LYS CE C 11.032 4.132 -12.040 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 3 . 3873 . 11 5 3 LYS CG C 13.333 5.279 -11.068 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 3 . 3874 . 11 5 3 LYS H H 15.060 1.970 -9.558 . . . 1.0 . . . . . . . . . . . . D . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 3 . 3875 . 11 5 3 LYS HA H 13.445 2.917 -10.657 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 3 . 3876 . 11 5 3 LYS HB2 H 15.355 4.772 -10.509 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3877 . 11 5 3 LYS HB3 H 15.074 4.789 -12.262 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3878 . 11 5 3 LYS HD2 H 11.863 6.202 -12.386 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3879 . 11 5 3 LYS HD3 H 12.746 4.850 -13.006 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3880 . 11 5 3 LYS HE2 H 10.926 4.001 -10.963 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3881 . 11 5 3 LYS HE3 H 10.311 4.616 -12.699 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 3 . 3882 . 11 5 3 LYS HG2 H 12.944 4.939 -10.123 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3883 . 11 5 3 LYS HG3 H 13.597 6.323 -10.975 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3884 . 11 5 3 LYS HZ1 H 10.105 2.553 -13.318 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 3 . 3885 . 11 5 3 LYS HZ2 H 10.724 1.950 -11.828 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 3 . 3886 . 11 5 3 LYS HZ3 H 11.761 2.462 -13.065 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 3 . 3887 . 11 5 3 LYS N N 15.352 2.371 -10.398 . . . 1.0 . . . . . . . . . . . . D . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 3 . 3888 . 11 5 3 LYS NZ N 10.914 2.681 -12.620 . . . 1.0 . . . . . . . . . . . . D . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 3 . 3889 . 11 5 3 LYS O O 13.614 2.795 -13.573 . . . 1.0 . . . . . . . . . . . . D . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 3 . 3890 . 11 5 4 DAL C C 12.769 -0.868 -12.910 . . . 1.0 . . . . . . . . . . . . D . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3891 . 11 5 4 DAL CA C 14.289 -0.353 -13.409 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3892 . 11 5 4 DAL CB C 14.901 -0.242 -14.992 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3893 . 11 5 4 DAL H H 14.902 0.736 -11.552 . . . 1.0 . . . . . . . . . . . . D . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3894 . 11 5 4 DAL HA H 14.983 -1.193 -13.390 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3895 . 11 5 4 DAL HB1 H 14.293 0.411 -15.616 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3896 . 11 5 4 DAL HB2 H 14.947 -1.225 -15.492 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3897 . 11 5 4 DAL HB3 H 15.946 0.181 -15.021 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3898 . 11 5 4 DAL N N 14.456 0.891 -12.411 . . . 1.0 . . . . . . . . . . . . D . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 3899 . 11 5 4 DAL O O 11.810 -1.045 -13.649 . . . 1.0 . . . . . . . . . . . . D . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 3 . 3900 . 11 5 5 DAL C C 10.256 -0.528 -11.195 . . . 1.0 . . . . . . . . . . . . D . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3901 . 11 5 5 DAL CA C 11.393 -1.615 -10.618 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3902 . 11 5 5 DAL CB C 11.326 -3.026 -11.451 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3903 . 11 5 5 DAL H H 13.424 -0.630 -11.021 . . . 1.0 . . . . . . . . . . . . D . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3904 . 11 5 5 DAL HA H 11.374 -1.728 -9.534 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3905 . 11 5 5 DAL HB1 H 12.038 -3.752 -11.113 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3906 . 11 5 5 DAL HB2 H 11.538 -2.718 -12.419 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3907 . 11 5 5 DAL HB3 H 10.296 -3.477 -11.414 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3908 . 11 5 5 DAL N N 12.627 -1.019 -11.547 . . . 1.0 . . . . . . . . . . . . D . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 3909 . 12 4 1 . C1 C 12.301 1.061 -6.376 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 3 . 3910 . 12 4 1 . C2 C 12.570 1.988 -7.522 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 3 . 3911 . 12 4 1 . C3 C 11.289 2.650 -7.936 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 3 . 3912 . 12 4 1 . C4 C 10.206 1.595 -8.219 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 3 . 3913 . 12 4 1 . C5 C 10.087 0.596 -7.062 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 3 . 3914 . 12 4 1 . C6 C 9.134 -0.554 -7.366 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 3 . 3915 . 12 4 1 . C7 C 13.421 3.843 -6.206 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 3 . 3916 . 12 4 1 . C8 C 14.556 4.806 -5.899 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 3 . 3917 . 12 4 1 . H1 H 11.935 1.615 -5.493 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3918 . 12 4 1 . H2 H 13.043 1.754 -8.349 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 3 . 3919 . 12 4 1 . H3 H 10.911 3.291 -7.147 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 3 . 3920 . 12 4 1 . H4 H 10.458 1.207 -9.248 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 3 . 3921 . 12 4 1 . H5 H 9.665 1.007 -6.152 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 3 . 3922 . 12 4 1 . H61 H 9.429 -1.088 -8.285 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 3 . 3923 . 12 4 1 . H62 H 8.137 -0.129 -7.562 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 3 . 3924 . 12 4 1 . H81 H 14.741 5.415 -6.772 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 3 . 3925 . 12 4 1 . H82 H 15.449 4.252 -5.660 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 3 . 3926 . 12 4 1 . H83 H 14.281 5.419 -5.047 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 3 . 3927 . 12 4 1 . HN2 H 14.488 2.886 -7.569 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 3928 . 12 4 1 . HO3 H 12.034 4.169 -8.918 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 3 . 3929 . 12 4 1 . HO4 H 9.039 2.863 -9.147 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 3 . 3930 . 12 4 1 . HO6 H 9.813 -1.223 -5.708 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 3931 . 12 4 1 . N2 N 13.605 2.959 -7.165 . . . 1.0 . . . . . . . . . . . . D . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 3 . 3932 . 12 4 1 . O3 O 11.502 3.419 -9.113 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 3 . 3933 . 12 4 1 . O4 O 8.956 2.245 -8.408 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 3 . 3934 . 12 4 1 . O5 O 11.372 0.041 -6.761 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 3 . 3935 . 12 4 1 . O6 O 9.142 -1.531 -6.331 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 3 . 3936 . 12 4 1 . O7 O 12.334 3.987 -5.647 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 3 . 3937 . 13 5 1 ALA C C -12.213 6.124 -11.993 . . . 1.0 . . . . . . . . . . . . G . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 3938 . 13 5 1 ALA CA C -13.608 5.943 -11.397 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 3939 . 13 5 1 ALA CB C -14.316 7.239 -11.545 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 3940 . 13 5 1 ALA H1 H -12.662 5.339 -9.598 . . . 1.0 . . . . . . . . . . . . G . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 3 . 3941 . 13 5 1 ALA HA H -14.194 5.186 -11.945 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 3942 . 13 5 1 ALA HB1 H -15.329 7.134 -11.183 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3943 . 13 5 1 ALA HB2 H -14.318 7.537 -12.589 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3944 . 13 5 1 ALA HB3 H -13.784 7.941 -10.956 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3945 . 13 5 1 ALA N N -13.534 5.594 -9.956 . . . 1.0 . . . . . . . . . . . . G . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 3946 . 13 5 1 ALA O O -12.009 6.945 -12.969 . . . 1.0 . . . . . . . . . . . . G . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 3947 . 13 5 2 . C C -8.619 4.898 -11.045 . . . 1.0 . . . . . . . . . . . . G . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 3 . 3948 . 13 5 2 . CA C -9.795 5.453 -11.997 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3949 . 13 5 2 . CB C -9.649 4.436 -13.207 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3950 . 13 5 2 . CD C -8.220 2.279 -12.910 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 3 . 3951 . 13 5 2 . CG C -9.633 2.907 -12.865 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 3 . 3952 . 13 5 2 . H H -11.380 4.794 -10.666 . . . 1.0 . . . . . . . . . . . . G . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 3 . 3953 . 13 5 2 . HA H -9.700 6.512 -12.237 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3954 . 13 5 2 . HB2 H -8.686 4.725 -13.655 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3955 . 13 5 2 . HB3 H -10.426 4.648 -13.919 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3956 . 13 5 2 . HG2 H -10.222 2.437 -13.621 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3957 . 13 5 2 . HG3 H -10.067 2.706 -11.889 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3958 . 13 5 2 . N N -11.188 5.381 -11.379 . . . 1.0 . . . . . . . . . . . . G . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 3 . 3959 . 13 5 2 . O O -7.390 5.000 -11.473 . . . 1.0 . . . . . . . . . . . . G . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 3 . 3960 . 13 5 2 . OE1 O -7.805 1.745 -13.954 . . . 1.0 . . . . . . . . . . . . G . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 3 . 3961 . 13 5 3 LYS C C -5.139 2.403 -12.631 . . . 1.0 . . . . . . . . . . . . G . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 3 . 3962 . 13 5 3 LYS CA C -6.193 1.754 -11.683 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 3 . 3963 . 13 5 3 LYS CB C -6.299 0.219 -11.620 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 3 . 3964 . 13 5 3 LYS CD C -5.657 0.611 -9.062 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 3 . 3965 . 13 5 3 LYS CE C -4.076 0.790 -9.219 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 3 . 3966 . 13 5 3 LYS CG C -6.452 -0.217 -10.156 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 3 . 3967 . 13 5 3 LYS H H -7.917 2.737 -11.033 . . . 1.0 . . . . . . . . . . . . G . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 3 . 3968 . 13 5 3 LYS HA H -5.887 2.043 -10.695 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 3 . 3969 . 13 5 3 LYS HB2 H -7.192 -0.106 -12.180 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3970 . 13 5 3 LYS HB3 H -5.428 -0.267 -12.064 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3971 . 13 5 3 LYS HD2 H -6.177 1.553 -8.916 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 3972 . 13 5 3 LYS HD3 H -5.751 0.026 -8.224 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 3973 . 13 5 3 LYS HE2 H -3.718 0.931 -8.200 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 3974 . 13 5 3 LYS HE3 H -3.889 -0.080 -9.850 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 3 . 3975 . 13 5 3 LYS HG2 H -7.510 -0.206 -9.944 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 3976 . 13 5 3 LYS HG3 H -6.100 -1.236 -10.088 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 3977 . 13 5 3 LYS HZ1 H -3.444 2.859 -9.765 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 3 . 3978 . 13 5 3 LYS HZ2 H -3.591 1.767 -11.016 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 3 . 3979 . 13 5 3 LYS HZ3 H -2.318 1.632 -9.968 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 3 . 3980 . 13 5 3 LYS N N -7.527 2.300 -11.813 . . . 1.0 . . . . . . . . . . . . G . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 3 . 3981 . 13 5 3 LYS NZ N -3.273 1.839 -10.060 . . . 1.0 . . . . . . . . . . . . G . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 3 . 3982 . 13 5 3 LYS O O -4.178 1.750 -13.095 . . . 1.0 . . . . . . . . . . . . G . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 3 . 3983 . 13 5 4 DAL C C -3.967 5.582 -12.516 . . . 1.0 . . . . . . . . . . . . G . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3984 . 13 5 4 DAL CA C -4.788 4.843 -13.784 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3985 . 13 5 4 DAL CB C -4.227 4.498 -15.350 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3986 . 13 5 4 DAL H H -6.416 3.913 -12.565 . . . 1.0 . . . . . . . . . . . . G . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3987 . 13 5 4 DAL HA H -5.342 5.593 -14.348 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3988 . 13 5 4 DAL HB1 H -4.995 4.021 -15.959 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3989 . 13 5 4 DAL HB2 H -3.351 3.828 -15.343 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 3990 . 13 5 4 DAL HB3 H -3.918 5.426 -15.908 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 3991 . 13 5 4 DAL N N -5.539 3.703 -12.943 . . . 1.0 . . . . . . . . . . . . G . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 3992 . 13 5 4 DAL O O -2.767 5.829 -12.508 . . . 1.0 . . . . . . . . . . . . G . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 3 . 3993 . 13 5 5 DAL C C -3.177 5.604 -9.529 . . . 1.0 . . . . . . . . . . . . G . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 3994 . 13 5 5 DAL CA C -4.397 6.640 -10.025 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 3995 . 13 5 5 DAL CB C -3.811 7.966 -10.786 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 3996 . 13 5 5 DAL H H -5.657 5.384 -11.434 . . . 1.0 . . . . . . . . . . . . G . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 3997 . 13 5 5 DAL HA H -5.095 6.876 -9.222 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 3998 . 13 5 5 DAL HB1 H -3.238 8.580 -10.153 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 3999 . 13 5 5 DAL HB2 H -4.689 8.444 -11.104 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4000 . 13 5 5 DAL HB3 H -3.204 7.687 -11.702 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4001 . 13 5 5 DAL N N -4.729 5.838 -11.409 . . . 1.0 . . . . . . . . . . . . G . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 4002 . 14 3 1 . C1 C -11.067 5.388 -5.201 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4003 . 14 3 1 . C10 C -14.626 5.517 -9.115 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 3 . 4004 . 14 3 1 . C11 C -14.932 6.146 -6.534 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 3 . 4005 . 14 3 1 . C2 C -12.452 4.829 -5.466 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4006 . 14 3 1 . C3 C -12.461 4.030 -6.766 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4007 . 14 3 1 . C4 C -11.466 4.574 -7.804 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4008 . 14 3 1 . C5 C -10.049 4.600 -7.243 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4009 . 14 3 1 . C6 C -9.323 5.869 -7.655 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 3 . 4010 . 14 3 1 . C7 C -12.669 2.678 -4.348 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 3 . 4011 . 14 3 1 . C8 C -13.161 1.797 -3.212 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 3 . 4012 . 14 3 1 . C9 C -14.363 5.212 -7.645 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 3 . 4013 . 14 3 1 . H1 H -10.928 6.369 -5.658 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 3 . 4014 . 14 3 1 . H111 H -15.288 5.545 -5.675 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 3 . 4015 . 14 3 1 . H112 H -15.768 6.655 -6.915 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 3 . 4016 . 14 3 1 . H113 H -14.193 6.891 -6.231 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 3 . 4017 . 14 3 1 . H2 H -13.073 5.764 -5.431 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4018 . 14 3 1 . H3 H -12.247 2.971 -6.556 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 3 . 4019 . 14 3 1 . H4A H -11.826 5.423 -8.372 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 3 . 4020 . 14 3 1 . H5 H -9.420 3.913 -7.587 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 3 . 4021 . 14 3 1 . H61 H -9.349 5.899 -8.761 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 3 . 4022 . 14 3 1 . H62 H -8.247 5.979 -7.341 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 3 . 4023 . 14 3 1 . H81 H -14.235 1.896 -3.109 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 3 . 4024 . 14 3 1 . H82 H -12.685 2.076 -2.292 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 3 . 4025 . 14 3 1 . H83 H -12.898 0.762 -3.440 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 3 . 4026 . 14 3 1 . H9 H -13.397 5.563 -7.858 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 3 . 4027 . 14 3 1 . HN2 H -13.343 4.439 -3.578 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 4028 . 14 3 1 . HO6 H -9.627 7.841 -7.283 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 4029 . 14 3 1 . N2 N -12.925 3.994 -4.334 . . . 1.0 . . . . . . . . . . . . G . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 3 . 4030 . 14 3 1 . O1 O -10.831 5.459 -3.824 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 3 . 4031 . 14 3 1 . O10 O -15.800 5.559 -9.495 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 3 . 4032 . 14 3 1 . O3 O -13.808 3.928 -7.285 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 3 . 4033 . 14 3 1 . O4 O -11.592 3.709 -8.965 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 3 . 4034 . 14 3 1 . O5 O -10.067 4.528 -5.796 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 3 . 4035 . 14 3 1 . O6 O -10.104 6.996 -7.309 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 3 . 4036 . 14 3 1 . O7 O -12.153 2.135 -5.342 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 3 . 4037 . 15 5 1 ALA C C 17.282 10.861 9.034 . . . 1.0 . . . . . . . . . . . . H . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 3 . 4038 . 15 5 1 ALA CA C 16.662 12.045 8.283 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 3 . 4039 . 15 5 1 ALA CB C 15.718 12.711 9.217 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 3 . 4040 . 15 5 1 ALA H1 H 16.042 10.649 6.814 . . . 1.0 . . . . . . . . . . . . H . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 3 . 4041 . 15 5 1 ALA HA H 17.420 12.791 7.994 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 3 . 4042 . 15 5 1 ALA HB1 H 15.269 13.562 8.723 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 4043 . 15 5 1 ALA HB2 H 16.252 13.032 10.107 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4044 . 15 5 1 ALA HB3 H 14.980 11.992 9.462 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4045 . 15 5 1 ALA N N 15.915 11.577 7.088 . . . 1.0 . . . . . . . . . . . . H . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 3 . 4046 . 15 5 1 ALA O O 16.923 9.655 8.778 . . . 1.0 . . . . . . . . . . . . H . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 3 . 4047 . 15 5 2 . C C 17.836 8.872 11.102 . . . 1.0 . . . . . . . . . . . . H . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 3 . 4048 . 15 5 2 . CA C 18.861 10.076 10.813 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 3 . 4049 . 15 5 2 . CB C 19.976 9.287 10.039 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 3 . 4050 . 15 5 2 . CD C 20.012 7.514 8.131 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 3 . 4051 . 15 5 2 . CG C 19.714 8.980 8.524 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 3 . 4052 . 15 5 2 . H H 18.500 12.106 10.123 . . . 1.0 . . . . . . . . . . . . H . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 3 . 4053 . 15 5 2 . HA H 19.171 10.606 11.714 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 3 . 4054 . 15 5 2 . HB2 H 20.052 8.347 10.602 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4055 . 15 5 2 . HB3 H 20.905 9.822 10.150 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4056 . 15 5 2 . HG2 H 20.388 9.605 7.981 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 4057 . 15 5 2 . HG3 H 18.693 9.211 8.236 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 4058 . 15 5 2 . N N 18.291 11.197 9.952 . . . 1.0 . . . . . . . . . . . . H . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 3 . 4059 . 15 5 2 . O O 16.660 9.192 11.351 . . . 1.0 . . . . . . . . . . . . H . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 3 . 4060 . 15 5 2 . OE1 O 20.808 7.264 7.207 . . . 1.0 . . . . . . . . . . . . H . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 3 . 4061 . 15 5 3 LYS C C 20.860 4.568 9.065 . . . 1.0 . . . . . . . . . . . . H . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 3 . 4062 . 15 5 3 LYS CA C 19.528 5.169 8.521 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 3 . 4063 . 15 5 3 LYS CB C 19.115 4.879 7.066 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 3 . 4064 . 15 5 3 LYS CD C 19.061 2.255 7.537 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 3 . 4065 . 15 5 3 LYS CE C 18.259 0.870 7.567 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 3 . 4066 . 15 5 3 LYS CG C 18.328 3.561 7.017 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 3 . 4067 . 15 5 3 LYS H H 18.762 6.857 9.482 . . . 1.0 . . . . . . . . . . . . H . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 3 . 4068 . 15 5 3 LYS HA H 18.758 4.713 9.115 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 3 . 4069 . 15 5 3 LYS HB2 H 18.461 5.693 6.705 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4070 . 15 5 3 LYS HB3 H 19.979 4.823 6.402 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4071 . 15 5 3 LYS HD2 H 20.013 2.180 7.019 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 3 . 4072 . 15 5 3 LYS HD3 H 19.218 2.465 8.529 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 3 . 4073 . 15 5 3 LYS HE2 H 17.876 0.758 6.553 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 3 . 4074 . 15 5 3 LYS HE3 H 19.033 0.258 8.030 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 3 . 4075 . 15 5 3 LYS HG2 H 17.417 3.730 7.568 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 3 . 4076 . 15 5 3 LYS HG3 H 18.074 3.381 5.981 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 3 . 4077 . 15 5 3 LYS HZ1 H 16.125 0.897 8.228 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 3 . 4078 . 15 5 3 LYS HZ2 H 17.241 0.707 9.527 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 3 . 4079 . 15 5 3 LYS HZ3 H 16.970 -0.542 8.416 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 3 . 4080 . 15 5 3 LYS N N 19.368 6.586 8.770 . . . 1.0 . . . . . . . . . . . . H . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 3 . 4081 . 15 5 3 LYS NZ N 17.063 0.433 8.483 . . . 1.0 . . . . . . . . . . . . H . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 3 . 4082 . 15 5 3 LYS O O 21.949 4.744 8.480 . . . 1.0 . . . . . . . . . . . . H . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 3 . 4083 . 15 5 4 DAL C C 20.733 1.696 11.295 . . . 1.0 . . . . . . . . . . . . H . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 4084 . 15 5 4 DAL CA C 21.607 3.132 11.251 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 4085 . 15 5 4 DAL CB C 23.288 3.343 11.112 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 4086 . 15 5 4 DAL H H 19.701 4.112 10.605 . . . 1.0 . . . . . . . . . . . . H . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 4087 . 15 5 4 DAL HA H 21.834 3.453 12.268 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 4088 . 15 5 4 DAL HB1 H 23.672 2.926 10.182 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 4089 . 15 5 4 DAL HB2 H 23.838 2.866 11.939 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4090 . 15 5 4 DAL HB3 H 23.584 4.431 11.113 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4091 . 15 5 4 DAL N N 20.624 3.976 10.306 . . . 1.0 . . . . . . . . . . . . H . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 4092 . 15 5 4 DAL O O 20.812 0.801 10.465 . . . 1.0 . . . . . . . . . . . . H . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 3 . 4093 . 15 5 5 DAL C C 18.022 0.234 11.398 . . . 1.0 . . . . . . . . . . . . H . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 3 . 4094 . 15 5 5 DAL CA C 18.856 0.365 12.846 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 3 . 4095 . 15 5 5 DAL CB C 20.098 -0.704 12.901 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 3 . 4096 . 15 5 5 DAL H H 19.691 2.499 12.820 . . . 1.0 . . . . . . . . . . . . H . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 3 . 4097 . 15 5 5 DAL HA H 18.209 0.351 13.723 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 3 . 4098 . 15 5 5 DAL HB1 H 20.627 -0.690 13.833 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 3 . 4099 . 15 5 5 DAL HB2 H 20.702 -0.375 12.125 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 3 . 4100 . 15 5 5 DAL HB3 H 19.749 -1.751 12.693 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 3 . 4101 . 15 5 5 DAL N N 19.824 1.603 12.326 . . . 1.0 . . . . . . . . . . . . H . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 3 . 4102 . 16 4 1 . C1 C -11.596 2.302 -8.708 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4103 . 16 4 1 . C2 C -11.333 1.530 -9.982 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4104 . 16 4 1 . C3 C -11.421 0.054 -9.708 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4105 . 16 4 1 . C4 C -10.505 -0.331 -8.537 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4106 . 16 4 1 . C5 C -10.753 0.572 -7.324 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4107 . 16 4 1 . C6 C -9.763 0.318 -6.193 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 3 . 4108 . 16 4 1 . C7 C -13.575 1.788 -10.901 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 3 . 4109 . 16 4 1 . C8 C -14.469 2.252 -12.045 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 3 . 4110 . 16 4 1 . H1 H -12.617 2.112 -8.357 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 3 . 4111 . 16 4 1 . H2 H -10.514 1.700 -10.517 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4112 . 16 4 1 . H3 H -12.431 -0.235 -9.434 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 3 . 4113 . 16 4 1 . H4 H -9.471 -0.357 -8.989 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 3 . 4114 . 16 4 1 . H5 H -11.715 0.422 -6.844 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 3 . 4115 . 16 4 1 . H61 H -9.622 -0.755 -5.977 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 3 . 4116 . 16 4 1 . H62 H -10.186 0.774 -5.285 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 3 . 4117 . 16 4 1 . H81 H -15.498 2.232 -11.715 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 3 . 4118 . 16 4 1 . H82 H -14.356 1.588 -12.887 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 3 . 4119 . 16 4 1 . H83 H -14.174 3.253 -12.342 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 3 . 4120 . 16 4 1 . HN2 H -11.926 2.404 -11.818 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 4121 . 16 4 1 . HO3 H -11.241 -1.588 -10.769 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 3 . 4122 . 16 4 1 . HO4 H -10.460 -2.250 -8.904 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 3 . 4123 . 16 4 1 . HO6 H -8.630 1.672 -6.943 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 4124 . 16 4 1 . N2 N -12.267 1.944 -11.033 . . . 1.0 . . . . . . . . . . . . G . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 3 . 4125 . 16 4 1 . O3 O -11.024 -0.678 -10.862 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 3 . 4126 . 16 4 1 . O4 O -10.746 -1.684 -8.174 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 3 . 4127 . 16 4 1 . O5 O -10.631 1.949 -7.707 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 3 . 4128 . 16 4 1 . O6 O -8.471 0.829 -6.503 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 3 . 4129 . 16 4 1 . O7 O -14.077 1.219 -9.932 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 3 . 4130 . 17 6 1 . O1P O -9.638 -6.184 8.828 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4131 . 17 6 1 . O2P O -8.621 -4.362 7.373 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4132 . 17 6 1 . O3P O -10.011 -6.184 6.344 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4133 . 17 6 1 . P P -9.019 -5.780 7.542 . . . 1.0 . . . . . . . . . . . . A . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4134 . 18 3 1 . C1 C 12.409 8.460 6.054 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4135 . 18 3 1 . C10 C 15.132 12.385 6.293 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 3 . 4136 . 18 3 1 . C11 C 13.154 12.452 4.502 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 3 . 4137 . 18 3 1 . C2 C 12.939 9.353 4.950 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4138 . 18 3 1 . C3 C 14.449 9.334 4.958 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4139 . 18 3 1 . C4 C 14.981 8.979 6.347 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4140 . 18 3 1 . C5 C 14.540 7.582 6.745 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4141 . 18 3 1 . C6 C 14.465 7.452 8.255 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 3 . 4142 . 18 3 1 . C7 C 13.089 8.026 2.916 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 3 . 4143 . 18 3 1 . C8 C 12.590 7.603 1.544 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 3 . 4144 . 18 3 1 . C9 C 14.380 11.732 5.141 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 3 . 4145 . 18 3 1 . H1 H 12.432 8.961 7.023 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 3 . 4146 . 18 3 1 . H111 H 13.245 12.454 3.399 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 3 . 4147 . 18 3 1 . H112 H 13.152 13.456 4.807 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 3 . 4148 . 18 3 1 . H113 H 12.216 11.998 4.830 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 3 . 4149 . 18 3 1 . H2 H 12.440 10.333 5.185 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4150 . 18 3 1 . H3 H 14.824 8.662 4.168 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 3 . 4151 . 18 3 1 . H4A H 14.889 9.784 7.065 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 3 . 4152 . 18 3 1 . H5 H 15.167 6.839 6.518 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 3 . 4153 . 18 3 1 . H61 H 15.522 7.418 8.576 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 3 . 4154 . 18 3 1 . H62 H 13.959 6.556 8.707 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 3 . 4155 . 18 3 1 . H81 H 13.285 6.897 1.103 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 3 . 4156 . 18 3 1 . H82 H 12.495 8.458 0.904 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 3 . 4157 . 18 3 1 . H83 H 11.607 7.142 1.660 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 3 . 4158 . 18 3 1 . H9 H 13.999 11.104 5.886 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 3 . 4159 . 18 3 1 . HN2 H 11.581 9.335 3.310 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 4160 . 18 3 1 . HO6 H 14.696 9.133 9.374 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 4161 . 18 3 1 . N2 N 12.417 8.948 3.619 . . . 1.0 . . . . . . . . . . . . H . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 3 . 4162 . 18 3 1 . O1 O 11.119 8.046 5.746 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 3 . 4163 . 18 3 1 . O10 O 15.078 13.615 6.394 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 3 . 4164 . 18 3 1 . O3 O 14.971 10.595 4.477 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 3 . 4165 . 18 3 1 . O4 O 16.423 9.130 6.356 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 3 . 4166 . 18 3 1 . O5 O 13.242 7.287 6.188 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 3 . 4167 . 18 3 1 . O6 O 14.042 8.682 8.814 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 3 . 4168 . 18 3 1 . O7 O 14.169 7.568 3.321 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 3 . 4169 . 19 6 1 . O1P O -9.144 -4.788 4.420 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4170 . 19 6 1 . O2P O -8.438 -7.230 4.755 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4171 . 19 6 1 . O3P O -10.781 -6.760 4.092 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4172 . 19 6 1 . P P -9.476 -6.200 4.840 . . . 1.0 . . . . . . . . . . . . A . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4173 . 20 4 1 . C1 C 17.116 8.547 5.251 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4174 . 20 4 1 . C2 C 18.599 8.784 5.437 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4175 . 20 4 1 . C3 C 19.388 8.157 4.317 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4176 . 20 4 1 . C4 C 18.969 6.692 4.116 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4177 . 20 4 1 . C5 C 17.450 6.574 3.999 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4178 . 20 4 1 . C6 C 16.993 5.129 3.880 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 3 . 4179 . 20 4 1 . C7 C 18.596 11.065 4.578 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 3 . 4180 . 20 4 1 . C8 C 18.916 12.538 4.803 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 3 . 4181 . 20 4 1 . H1 H 16.733 9.093 4.379 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 3 . 4182 . 20 4 1 . H2 H 19.034 8.541 6.293 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4183 . 20 4 1 . H3 H 19.212 8.672 3.379 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 3 . 4184 . 20 4 1 . H4 H 19.497 6.121 4.932 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 3 . 4185 . 20 4 1 . H5 H 17.030 7.036 3.106 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 3 . 4186 . 20 4 1 . H61 H 17.192 4.678 4.869 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 3 . 4187 . 20 4 1 . H62 H 17.590 4.633 3.097 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 3 . 4188 . 20 4 1 . H81 H 19.978 12.643 4.975 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 3 . 4189 . 20 4 1 . H82 H 18.381 12.897 5.667 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 3 . 4190 . 20 4 1 . H83 H 18.604 13.108 3.933 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 3 . 4191 . 20 4 1 . HN2 H 19.185 10.571 6.407 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 3 . 4192 . 20 4 1 . HO3 H 20.957 7.836 5.466 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 3 . 4193 . 20 4 1 . HO4 H 20.497 6.460 2.902 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 3 . 4194 . 20 4 1 . HO6 H 15.259 5.943 3.737 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 3 . 4195 . 20 4 1 . N2 N 18.873 10.217 5.556 . . . 1.0 . . . . . . . . . . . . H . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 3 . 4196 . 20 4 1 . O3 O 20.778 8.203 4.618 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 3 . 4197 . 20 4 1 . O4 O 19.568 6.192 2.930 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 3 . 4198 . 20 4 1 . O5 O 16.825 7.146 5.151 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 3 . 4199 . 20 4 1 . O6 O 15.586 5.038 3.689 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 3 . 4200 . 20 4 1 . O7 O 18.194 10.692 3.477 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 3 . 4201 . 21 2 1 . C1 C -10.813 -7.922 3.247 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4202 . 21 2 1 . C2 C -12.049 -7.993 2.359 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4203 . 21 2 1 . C3 C -12.330 -9.010 1.488 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4204 . 21 2 1 . C4 C -13.564 -8.988 0.608 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4205 . 21 2 1 . C5 C -11.479 -10.293 1.322 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4206 . 21 2 1 . H11 H -9.944 -7.860 2.603 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4207 . 21 2 1 . H12 H -10.736 -8.801 3.857 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4208 . 21 2 1 . H2 H -12.798 -7.245 2.564 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4209 . 21 2 1 . H42 H -14.366 -8.472 1.122 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4210 . 21 2 1 . H43 H -13.873 -10.006 0.395 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4211 . 21 2 1 . H51 H -10.595 -10.223 1.940 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4212 . 21 2 1 . H52 H -11.181 -10.387 0.288 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4213 . 21 2 1 . H53 H -12.056 -11.163 1.611 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4214 . 22 2 1 . C1 C -13.268 -8.263 -0.722 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4215 . 22 2 1 . C2 C -14.436 -7.414 -1.124 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4216 . 22 2 1 . C3 C -14.443 -6.068 -1.061 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4217 . 22 2 1 . C4 C -15.652 -5.245 -1.454 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4218 . 22 2 1 . C5 C -13.239 -5.227 -0.607 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4219 . 22 2 1 . H11 H -13.072 -9.002 -1.494 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4220 . 22 2 1 . H12 H -12.397 -7.643 -0.594 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4221 . 22 2 1 . H2 H -15.367 -7.960 -1.217 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4222 . 22 2 1 . H42 H -16.391 -5.890 -1.910 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4223 . 22 2 1 . H43 H -15.358 -4.478 -2.158 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4224 . 22 2 1 . H51 H -12.414 -5.389 -1.292 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4225 . 22 2 1 . H52 H -12.941 -5.533 0.384 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4226 . 22 2 1 . H53 H -13.498 -4.181 -0.601 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4227 . 23 2 1 . C1 C 5.216 -5.186 -8.352 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4228 . 23 2 1 . C2 C 5.192 -5.353 -9.830 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4229 . 23 2 1 . C3 C 4.348 -4.693 -10.634 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4230 . 23 2 1 . C4 C 4.329 -4.904 -12.135 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4231 . 23 2 1 . C5 C 3.348 -3.648 -10.131 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4232 . 23 2 1 . H11 H 4.375 -4.577 -8.035 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4233 . 23 2 1 . H12 H 5.170 -6.143 -7.863 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4234 . 23 2 1 . H2 H 5.679 -6.254 -10.176 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4235 . 23 2 1 . H42 H 5.341 -4.852 -12.519 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4236 . 23 2 1 . H43 H 3.724 -4.143 -12.611 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4237 . 23 2 1 . H51 H 2.841 -3.201 -10.976 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4238 . 23 2 1 . H52 H 3.877 -2.881 -9.585 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4239 . 23 2 1 . H53 H 2.623 -4.117 -9.484 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4240 . 24 2 1 . C1 C -16.275 -4.579 -0.226 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4241 . 24 2 1 . C2 C -17.393 -3.653 -0.614 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4242 . 24 2 1 . C3 C -18.530 -3.486 0.078 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4243 . 24 2 1 . C4 C -19.627 -2.499 -0.355 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4244 . 24 2 1 . C5 C -18.855 -4.261 1.359 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4245 . 24 2 1 . H11 H -15.508 -4.012 0.283 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4246 . 24 2 1 . H12 H -16.657 -5.338 0.428 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4247 . 24 2 1 . H2 H -17.201 -3.069 -1.505 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4248 . 24 2 1 . H41 H -20.596 -2.977 -0.285 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 3 . 4249 . 24 2 1 . H42 H -19.453 -2.200 -1.381 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4250 . 24 2 1 . H43 H -19.606 -1.626 0.280 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4251 . 24 2 1 . H51 H -19.340 -5.190 1.096 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4252 . 24 2 1 . H52 H -19.519 -3.670 1.967 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4253 . 24 2 1 . H53 H -17.947 -4.474 1.916 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4254 . 25 2 1 . C1 C 3.750 -6.279 -12.462 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4255 . 25 2 1 . C2 C 2.253 -6.285 -12.320 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4256 . 25 2 1 . C3 C 1.560 -7.246 -11.684 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4257 . 25 2 1 . C4 C 0.031 -7.206 -11.539 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4258 . 25 2 1 . C5 C 2.217 -8.476 -11.044 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4259 . 25 2 1 . H11 H 4.175 -7.000 -11.778 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4260 . 25 2 1 . H12 H 4.012 -6.539 -13.470 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4261 . 25 2 1 . H2 H 1.785 -5.334 -12.543 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4262 . 25 2 1 . H41 H -0.233 -6.916 -10.529 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 3 . 4263 . 25 2 1 . H42 H -0.374 -8.189 -11.742 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4264 . 25 2 1 . H43 H -0.385 -6.497 -12.240 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4265 . 25 2 1 . H51 H 1.448 -9.181 -10.762 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4266 . 25 2 1 . H52 H 2.759 -8.167 -10.164 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4267 . 25 2 1 . H53 H 2.902 -8.949 -11.741 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4268 . 26 6 1 . O1P O 12.078 -5.002 -4.169 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4269 . 26 6 1 . O2P O 11.612 -5.762 -1.800 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4270 . 26 6 1 . O3P O 9.937 -4.374 -3.040 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4271 . 26 6 1 . P P 11.513 -4.709 -2.822 . . . 1.0 . . . . . . . . . . . . B . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4272 . 27 6 1 . O1P O 9.203 -6.323 -1.666 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4273 . 27 6 1 . O2P O 8.305 -3.954 -1.176 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4274 . 27 6 1 . O3P O 7.631 -5.160 -3.299 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4275 . 27 6 1 . P P 8.746 -4.976 -2.166 . . . 1.0 . . . . . . . . . . . . B . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4276 . 28 2 1 . C1 C 7.184 -4.077 -4.111 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4277 . 28 2 1 . C2 C 7.159 -4.507 -5.545 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4278 . 28 2 1 . C3 C 6.425 -3.941 -6.508 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4279 . 28 2 1 . C4 C 6.496 -4.494 -7.928 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4280 . 28 2 1 . C5 C 5.473 -2.740 -6.272 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4281 . 28 2 1 . H11 H 6.190 -3.803 -3.799 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4282 . 28 2 1 . H12 H 7.851 -3.239 -3.988 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4283 . 28 2 1 . H2 H 7.969 -5.160 -5.821 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4284 . 28 2 1 . H42 H 7.307 -5.207 -7.993 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4285 . 28 2 1 . H43 H 6.685 -3.709 -8.622 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4286 . 28 2 1 . H51 H 5.650 -1.987 -7.030 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4287 . 28 2 1 . H52 H 5.666 -2.318 -5.302 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4288 . 28 2 1 . H53 H 4.436 -3.065 -6.325 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4289 . 29 6 1 . O1P O -8.316 5.619 -3.782 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4290 . 29 6 1 . O2P O -9.731 7.725 -3.480 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4291 . 29 6 1 . O3P O -9.626 6.001 -1.706 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4292 . 29 6 1 . P P -9.546 6.271 -3.260 . . . 1.0 . . . . . . . . . . . . E . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4293 . 30 6 1 . O1P O -11.650 7.029 -0.648 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4294 . 30 6 1 . O2P O -11.819 4.816 -1.972 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4295 . 30 6 1 . O3P O -10.653 4.932 0.229 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4296 . 30 6 1 . P P -11.046 5.736 -1.072 . . . 1.0 . . . . . . . . . . . . E . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4297 . 31 2 1 . C1 C -10.716 3.519 0.207 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4298 . 31 2 1 . C2 C -9.911 3.035 -0.961 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4299 . 31 2 1 . C3 C -9.867 1.779 -1.407 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4300 . 31 2 1 . C4 C -9.000 1.443 -2.591 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4301 . 31 2 1 . C5 C -10.659 0.602 -0.803 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4302 . 31 2 1 . H11 H -10.317 3.136 1.132 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4303 . 31 2 1 . H12 H -11.747 3.217 0.097 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4304 . 31 2 1 . H2 H -9.586 3.832 -1.623 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4305 . 31 2 1 . H42 H -7.993 1.786 -2.392 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4306 . 31 2 1 . H43 H -9.375 1.948 -3.473 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4307 . 31 2 1 . H51 H -11.083 0.006 -1.601 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4308 . 31 2 1 . H52 H -11.455 0.988 -0.186 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4309 . 31 2 1 . H53 H -10.002 -0.016 -0.202 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4310 . 32 6 1 . O1P O 10.830 7.569 8.206 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4311 . 32 6 1 . O2P O 8.812 7.508 6.639 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4312 . 32 6 1 . O3P O 10.557 5.769 6.541 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4313 . 32 6 1 . P P 10.255 7.272 6.871 . . . 1.0 . . . . . . . . . . . . F . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4314 . 33 6 1 . O1P O 10.055 3.584 5.562 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 3 . 4315 . 33 6 1 . O2P O 8.155 5.108 6.254 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 3 . 4316 . 33 6 1 . O3P O 9.604 5.691 4.287 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 3 . 4317 . 33 6 1 . P P 9.515 4.940 5.695 . . . 1.0 . . . . . . . . . . . . F . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 3 . 4318 . 34 2 1 . C1 C 8.497 6.402 3.753 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4319 . 34 2 1 . C2 C 8.953 7.164 2.512 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4320 . 34 2 1 . C3 C 8.238 8.098 1.828 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4321 . 34 2 1 . C4 C 8.815 8.808 0.598 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4322 . 34 2 1 . C5 C 6.806 8.519 2.201 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4323 . 34 2 1 . H11 H 7.739 5.675 3.494 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4324 . 34 2 1 . H12 H 8.110 7.076 4.504 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4325 . 34 2 1 . H2 H 9.852 6.771 2.071 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4326 . 34 2 1 . H42 H 9.845 9.086 0.797 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4327 . 34 2 1 . H43 H 8.245 9.708 0.383 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4328 . 34 2 1 . H51 H 6.840 9.180 3.055 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4329 . 34 2 1 . H52 H 6.227 7.644 2.450 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4330 . 34 2 1 . H53 H 6.346 9.033 1.365 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4331 . 35 2 1 . C1 C -8.956 -0.067 -2.857 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4332 . 35 2 1 . C2 C -7.778 -0.435 -3.710 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4333 . 35 2 1 . C3 C -7.644 -1.643 -4.290 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4334 . 35 2 1 . C4 C -6.446 -2.009 -5.147 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4335 . 35 2 1 . C5 C -8.678 -2.770 -4.162 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4336 . 35 2 1 . H11 H -9.873 -0.358 -3.359 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4337 . 35 2 1 . H12 H -8.893 -0.575 -1.913 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4338 . 35 2 1 . H2 H -6.903 0.180 -3.539 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4339 . 35 2 1 . H42 H -5.936 -2.854 -4.706 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4340 . 35 2 1 . H43 H -5.769 -1.167 -5.202 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4341 . 35 2 1 . H51 H -9.052 -2.794 -3.146 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4342 . 35 2 1 . H52 H -8.207 -3.713 -4.390 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4343 . 35 2 1 . H53 H -9.497 -2.601 -4.841 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 3 . 4344 . 36 2 1 . C1 C 8.778 7.892 -0.636 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 3 . 4345 . 36 2 1 . C2 C 9.544 8.517 -1.745 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 3 . 4346 . 36 2 1 . C3 C 9.001 9.389 -2.600 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 3 . 4347 . 36 2 1 . C4 C 9.798 9.997 -3.739 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 3 . 4348 . 36 2 1 . C5 C 7.543 9.857 -2.538 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 3 . 4349 . 36 2 1 . H11 H 7.747 7.734 -0.946 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 3 . 4350 . 36 2 1 . H12 H 9.219 6.945 -0.379 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 3 . 4351 . 36 2 1 . H2 H 10.426 7.960 -2.035 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 3 . 4352 . 36 2 1 . H42 H 9.141 10.200 -4.577 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 3 . 4353 . 36 2 1 . H43 H 10.579 9.314 -4.048 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 3 . 4354 . 36 2 1 . H51 H 7.274 10.025 -1.502 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 3 . 4355 . 36 2 1 . H52 H 6.903 9.097 -2.949 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 3 . 4356 . 36 2 1 . H53 H 7.419 10.775 -3.090 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 4357 . 1 1 1 . C C 6.697 -13.680 -3.680 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 4 . 4358 . 1 1 1 . C10 C 6.301 -16.372 -2.510 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 4 . 4359 . 1 1 1 . CA C 7.089 -14.985 -4.388 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4360 . 1 1 1 . CB C 8.564 -15.299 -4.114 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4361 . 1 1 1 . CD1 C 8.987 -15.582 -6.585 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4362 . 1 1 1 . CD2 C 10.742 -14.710 -5.223 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4363 . 1 1 1 . CE1 C 9.822 -15.538 -7.689 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4364 . 1 1 1 . CE2 C 11.578 -14.666 -6.321 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4365 . 1 1 1 . CG C 9.459 -15.224 -5.327 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 4 . 4366 . 1 1 1 . CZ C 11.100 -15.025 -7.567 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4367 . 1 1 1 . H H 6.501 -16.995 -4.452 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 4 . 4368 . 1 1 1 . H11 H 5.964 -15.493 -1.976 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4369 . 1 1 1 . H12 H 7.326 -16.582 -2.240 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4370 . 1 1 1 . H13 H 5.680 -17.216 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 4 . 4371 . 1 1 1 . HA H 6.959 -14.844 -5.453 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4372 . 1 1 1 . HB2 H 8.944 -14.598 -3.386 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4373 . 1 1 1 . HB3 H 8.645 -16.300 -3.717 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4374 . 1 1 1 . HD1 H 7.985 -15.972 -6.684 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4375 . 1 1 1 . HD2 H 11.116 -14.412 -4.253 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4376 . 1 1 1 . HE1 H 9.450 -15.830 -8.662 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4377 . 1 1 1 . HE2 H 12.578 -14.280 -6.221 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4378 . 1 1 1 . HN2 H 5.217 -15.914 -4.232 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 4379 . 1 1 1 . HZ H 11.750 -14.979 -8.428 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 4 . 4380 . 1 1 1 . N N 6.208 -16.129 -3.964 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 4 . 4381 . 1 1 1 . O O 7.274 -13.315 -2.655 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 4 . 4382 . 1 1 2 ILE C C 4.270 -12.014 -2.519 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4383 . 1 1 2 ILE CA C 5.245 -11.738 -3.662 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4384 . 1 1 2 ILE CB C 4.565 -10.849 -4.753 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4385 . 1 1 2 ILE CD1 C 2.827 -9.008 -5.105 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4386 . 1 1 2 ILE CG1 C 3.688 -9.764 -4.124 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4387 . 1 1 2 ILE CG2 C 3.745 -11.703 -5.715 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4388 . 1 1 2 ILE H H 5.242 -13.358 -5.008 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4389 . 1 1 2 ILE HA H 6.103 -11.207 -3.273 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4390 . 1 1 2 ILE HB H 5.346 -10.369 -5.327 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4391 . 1 1 2 ILE HD11 H 2.217 -9.706 -5.658 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4392 . 1 1 2 ILE HD12 H 3.460 -8.461 -5.783 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4393 . 1 1 2 ILE HD13 H 2.190 -8.319 -4.567 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4394 . 1 1 2 ILE HG12 H 3.034 -10.218 -3.396 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4395 . 1 1 2 ILE HG13 H 4.322 -9.044 -3.627 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4396 . 1 1 2 ILE HG21 H 3.188 -11.066 -6.389 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4397 . 1 1 2 ILE HG22 H 3.057 -12.319 -5.153 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4398 . 1 1 2 ILE HG23 H 4.409 -12.335 -6.284 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4399 . 1 1 2 ILE N N 5.703 -12.996 -4.227 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4400 . 1 1 2 ILE O O 3.486 -12.964 -2.580 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4401 . 1 1 3 SER C C 2.891 -9.967 0.029 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4402 . 1 1 3 SER CA C 3.466 -11.330 -0.322 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4403 . 1 1 3 SER CB C 4.115 -11.979 0.913 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4404 . 1 1 3 SER H H 5.081 -10.537 -1.448 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4405 . 1 1 3 SER HA H 2.646 -11.955 -0.639 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4406 . 1 1 3 SER HB2 H 4.783 -11.260 1.371 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4407 . 1 1 3 SER HB3 H 3.344 -12.243 1.618 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4408 . 1 1 3 SER HG H 4.790 -13.338 -0.339 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4409 . 1 1 3 SER N N 4.378 -11.220 -1.460 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4410 . 1 1 3 SER O O 3.456 -8.912 -0.316 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4411 . 1 1 3 SER OG O 4.864 -13.136 0.604 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4412 . 1 1 4 . C C -0.372 -8.831 0.702 . . . 1.0 . . . . . . . . . . . . A . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 4 . 4413 . 1 1 4 . CA C 1.064 -8.809 1.135 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 4 . 4414 . 1 1 4 . CB C 1.083 -8.698 2.640 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 4 . 4415 . 1 1 4 . CD C 2.865 -7.292 3.567 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 4 . 4416 . 1 1 4 . CG C 2.473 -8.688 3.180 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 4 . 4417 . 1 1 4 . CZ C 3.210 -5.183 2.421 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4418 . 1 1 4 . H H 1.421 -10.879 1.015 . . . 1.0 . . . . . . . . . . . . A . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 4 . 4419 . 1 1 4 . HA H 1.556 -7.955 0.706 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 4 . 4420 . 1 1 4 . HB2 H 0.555 -9.541 3.061 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4421 . 1 1 4 . HB3 H 0.587 -7.784 2.932 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4422 . 1 1 4 . HD2 H 3.755 -7.334 4.177 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4423 . 1 1 4 . HD3 H 2.060 -6.840 4.129 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 4424 . 1 1 4 . HE H 3.273 -6.974 1.553 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 4 . 4425 . 1 1 4 . HG2 H 3.148 -9.042 2.415 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4426 . 1 1 4 . HG3 H 2.525 -9.329 4.044 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 4427 . 1 1 4 . HH11 H 3.560 -3.502 1.304 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 4 . 4428 . 1 1 4 . HH12 H 3.634 -5.061 0.421 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 4 . 4429 . 1 1 4 . HH21 H 3.060 -3.489 3.582 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 4 . 4430 . 1 1 4 . HH22 H 2.680 -5.034 4.408 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 4 . 4431 . 1 1 4 . N N 1.768 -10.008 0.730 . . . 1.0 . . . . . . . . . . . . A . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 4 . 4432 . 1 1 4 . NE N 3.129 -6.496 2.399 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 4 . 4433 . 1 1 4 . NH1 N 3.488 -4.532 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 4 . 4434 . 1 1 4 . NH2 N 2.973 -4.516 3.550 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 4 . 4435 . 1 1 4 . O O -1.132 -9.698 1.131 . . . 1.0 . . . . . . . . . . . . A . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 4 . 4436 . 1 1 5 . C C -2.752 -6.476 -0.193 . . . 1.0 . . . . . . . . . . . . A . 5 28J C . . . . . . . . . c50202_6yfy 1 . 4 . 4437 . 1 1 5 . CA C -2.140 -7.820 -0.546 . . . 1.0 . . . . . . . . . . . . A . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 4 . 4438 . 1 1 5 . CB C -2.322 -8.141 -2.051 . . . 1.0 . . . . . . . . . . . . A . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 4 . 4439 . 1 1 5 . CD1 C -4.040 -9.998 -1.715 . . . 1.0 . . . . . . . . . . . . A . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4440 . 1 1 5 . CG1 C -2.679 -9.617 -2.259 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4441 . 1 1 5 . CG2 C -1.040 -7.828 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4442 . 1 1 5 . H21 H -2.668 -8.578 0.014 . . . 1.0 . . . . . . . . . . . . A . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 4 . 4443 . 1 1 5 . H22 H -3.114 -7.520 -2.445 . . . 1.0 . . . . . . . . . . . . A . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 4 . 4444 . 1 1 5 . H23 H -1.190 -8.036 -3.859 . . . 1.0 . . . . . . . . . . . . A . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 4 . 4445 . 1 1 5 . H24 H -0.235 -8.441 -2.431 . . . 1.0 . . . . . . . . . . . . A . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 4 . 4446 . 1 1 5 . H25 H -0.793 -6.786 -2.682 . . . 1.0 . . . . . . . . . . . . A . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 4 . 4447 . 1 1 5 . H26 H -1.939 -10.235 -1.775 . . . 1.0 . . . . . . . . . . . . A . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 4 . 4448 . 1 1 5 . H27 H -2.680 -9.828 -3.319 . . . 1.0 . . . . . . . . . . . . A . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 4 . 4449 . 1 1 5 . H28 H -4.799 -9.387 -2.183 . . . 1.0 . . . . . . . . . . . . A . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 4 . 4450 . 1 1 5 . H29 H -4.058 -9.838 -0.647 . . . 1.0 . . . . . . . . . . . . A . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 4 . 4451 . 1 1 5 . H30 H -4.234 -11.038 -1.928 . . . 1.0 . . . . . . . . . . . . A . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 4 . 4452 . 1 1 5 . N N -0.759 -7.880 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 28J N . . . . . . . . . c50202_6yfy 1 . 4 . 4453 . 1 1 5 . O O -2.045 -5.492 0.067 . . . 1.0 . . . . . . . . . . . . A . 5 28J O . . . . . . . . . c50202_6yfy 1 . 4 . 4454 . 1 1 6 ILE C C -5.558 -5.377 1.578 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4455 . 1 1 6 ILE CA C -4.876 -5.305 0.184 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4456 . 1 1 6 ILE CB C -5.927 -5.141 -0.950 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4457 . 1 1 6 ILE CD1 C -8.238 -5.872 -1.695 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4458 . 1 1 6 ILE CG1 C -7.101 -6.112 -0.757 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4459 . 1 1 6 ILE CG2 C -5.290 -5.301 -2.340 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4460 . 1 1 6 ILE H H -4.538 -7.341 -0.253 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4461 . 1 1 6 ILE HA H -4.225 -4.445 0.154 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4462 . 1 1 6 ILE HB H -6.295 -4.129 -0.894 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4463 . 1 1 6 ILE HD11 H -9.008 -6.612 -1.536 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4464 . 1 1 6 ILE HD12 H -7.884 -5.936 -2.715 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4465 . 1 1 6 ILE HD13 H -8.650 -4.883 -1.521 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4466 . 1 1 6 ILE HG12 H -6.772 -7.124 -0.908 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4467 . 1 1 6 ILE HG13 H -7.483 -6.001 0.247 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4468 . 1 1 6 ILE HG21 H -4.501 -4.572 -2.474 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4469 . 1 1 6 ILE HG22 H -6.039 -5.153 -3.098 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4470 . 1 1 6 ILE HG23 H -4.872 -6.296 -2.439 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4471 . 1 1 6 ILE N N -4.077 -6.487 -0.107 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4472 . 1 1 6 ILE O O -5.953 -6.451 2.033 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4473 . 1 1 7 SER C C -6.884 -2.781 3.856 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4474 . 1 1 7 SER CA C -6.301 -4.160 3.600 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4475 . 1 1 7 SER CB C -5.313 -4.419 4.731 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4476 . 1 1 7 SER H H -5.279 -3.401 1.892 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4477 . 1 1 7 SER HA H -7.085 -4.904 3.637 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4478 . 1 1 7 SER HB2 H -4.644 -5.220 4.450 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4479 . 1 1 7 SER HB3 H -4.750 -3.525 4.943 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4480 . 1 1 7 SER HG H -6.248 -5.738 5.836 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4481 . 1 1 7 SER N N -5.655 -4.226 2.275 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4482 . 1 1 7 SER O O -6.916 -1.920 2.963 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4483 . 1 1 7 SER OG O -6.002 -4.812 5.900 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4484 . 1 1 8 DTH C C -9.362 -1.381 5.403 . . . 1.0 . . . . . . . . . . . . A . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 4 . 4485 . 1 1 8 DTH CA C -7.835 -1.267 5.515 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 4 . 4486 . 1 1 8 DTH CB C -7.493 -0.852 6.976 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 4 . 4487 . 1 1 8 DTH CG2 C -6.008 -1.007 7.226 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4488 . 1 1 8 DTH H H -7.171 -3.283 5.772 . . . 1.0 . . . . . . . . . . . . A . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 4 . 4489 . 1 1 8 DTH HA H -7.467 -0.501 4.846 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 4 . 4490 . 1 1 8 DTH HB H -7.777 0.199 7.138 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 4 . 4491 . 1 1 8 DTH HG21 H -5.458 -0.392 6.533 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4492 . 1 1 8 DTH HG22 H -5.722 -2.040 7.109 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4493 . 1 1 8 DTH HG23 H -5.790 -0.687 8.238 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4494 . 1 1 8 DTH N N -7.262 -2.553 5.106 . . . 1.0 . . . . . . . . . . . . A . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 4 . 4495 . 1 1 8 DTH O O -10.097 -0.419 5.612 . . . 1.0 . . . . . . . . . . . . A . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 4 . 4496 . 1 1 8 DTH OG1 O -8.240 -1.618 7.922 . . . 1.0 . . . . . . . . . . . . A . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4497 . 1 1 9 ALA C C -11.902 -2.514 6.296 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 4498 . 1 1 9 ALA CA C -11.244 -2.865 4.959 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 4499 . 1 1 9 ALA CB C -11.463 -4.323 4.580 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 4500 . 1 1 9 ALA H H -9.190 -3.308 4.866 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 4 . 4501 . 1 1 9 ALA HA H -11.662 -2.240 4.181 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 4502 . 1 1 9 ALA HB1 H -11.187 -4.955 5.415 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 4503 . 1 1 9 ALA HB2 H -10.855 -4.580 3.725 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4504 . 1 1 9 ALA HB3 H -12.504 -4.481 4.341 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4505 . 1 1 9 ALA N N -9.820 -2.588 5.060 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 4506 . 1 1 9 ALA O O -12.618 -1.520 6.390 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 4507 . 1 1 10 LEU C C -11.236 -2.198 9.491 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 4 . 4508 . 1 1 10 LEU CA C -12.197 -3.013 8.680 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 4 . 4509 . 1 1 10 LEU CB C -12.491 -4.278 9.484 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 4 . 4510 . 1 1 10 LEU CD1 C -14.047 -5.084 7.754 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4511 . 1 1 10 LEU CD2 C -11.778 -6.117 7.980 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4512 . 1 1 10 LEU CG C -12.935 -5.475 8.695 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 4 . 4513 . 1 1 10 LEU H H -11.031 -4.084 7.228 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 4 . 4514 . 1 1 10 LEU HA H -13.104 -2.450 8.549 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 4 . 4515 . 1 1 10 LEU HB2 H -11.612 -4.549 10.045 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4516 . 1 1 10 LEU HB3 H -13.281 -4.047 10.182 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4517 . 1 1 10 LEU HD11 H -14.860 -4.677 8.339 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4518 . 1 1 10 LEU HD12 H -14.392 -5.955 7.224 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4519 . 1 1 10 LEU HD13 H -13.706 -4.338 7.048 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4520 . 1 1 10 LEU HD21 H -12.110 -6.493 7.022 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 4 . 4521 . 1 1 10 LEU HD22 H -11.411 -6.936 8.576 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 4 . 4522 . 1 1 10 LEU HD23 H -10.983 -5.395 7.832 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 4 . 4523 . 1 1 10 LEU HG H -13.334 -6.196 9.386 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 4 . 4524 . 1 1 10 LEU N N -11.622 -3.300 7.350 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 4 . 4525 . 1 1 10 LEU O O -11.588 -1.193 10.111 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 4 . 4526 . 1 1 11 ILE C C -8.142 -1.164 9.273 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4527 . 1 1 11 ILE CA C -8.980 -1.975 10.238 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4528 . 1 1 11 ILE CB C -8.099 -2.952 11.060 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4529 . 1 1 11 ILE CD1 C -8.177 -4.912 12.707 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4530 . 1 1 11 ILE CG1 C -8.970 -3.885 11.923 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4531 . 1 1 11 ILE CG2 C -7.153 -2.171 11.952 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4532 . 1 1 11 ILE H H -9.801 -3.466 8.934 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4533 . 1 1 11 ILE HA H -9.463 -1.294 10.928 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4534 . 1 1 11 ILE HB H -7.513 -3.544 10.374 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4535 . 1 1 11 ILE HD11 H -7.536 -5.465 12.035 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4536 . 1 1 11 ILE HD12 H -8.855 -5.593 13.198 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4537 . 1 1 11 ILE HD13 H -7.572 -4.410 13.448 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4538 . 1 1 11 ILE HG12 H -9.527 -3.291 12.632 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4539 . 1 1 11 ILE HG13 H -9.663 -4.416 11.285 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4540 . 1 1 11 ILE HG21 H -7.727 -1.576 12.649 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4541 . 1 1 11 ILE HG22 H -6.542 -1.520 11.344 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4542 . 1 1 11 ILE HG23 H -6.523 -2.856 12.496 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4543 . 1 1 11 ILE N N -10.015 -2.657 9.496 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4544 . 2 2 1 . C1 C -15.570 -1.126 1.434 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 4545 . 2 2 1 . C2 C -15.018 -2.499 1.154 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 4546 . 2 2 1 . C3 C -13.969 -2.769 0.358 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 4547 . 2 2 1 . C4 C -13.451 -4.199 0.125 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 4548 . 2 2 1 . C5 C -13.183 -1.697 -0.393 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 4549 . 2 2 1 . H11 H -15.722 -1.018 2.496 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4550 . 2 2 1 . H12 H -14.861 -0.384 1.097 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4551 . 2 2 1 . H2 H -15.534 -3.292 1.665 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 4552 . 2 2 1 . H41 H -12.370 -4.192 0.072 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 4 . 4553 . 2 2 1 . H42 H -13.851 -4.574 -0.806 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 4554 . 2 2 1 . H43 H -13.770 -4.839 0.936 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 4555 . 2 2 1 . H51 H -12.343 -2.158 -0.888 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 4556 . 2 2 1 . H52 H -12.831 -0.966 0.314 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 4557 . 2 2 1 . H53 H -13.817 -1.212 -1.129 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 4558 . 3 1 1 . C C -8.585 2.062 2.409 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 4 . 4559 . 3 1 1 . C10 C -7.477 4.541 3.880 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 4 . 4560 . 3 1 1 . CA C -9.313 3.403 2.707 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4561 . 3 1 1 . CB C -10.053 3.316 4.057 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4562 . 3 1 1 . CD1 C -12.488 3.898 3.876 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4563 . 3 1 1 . CD2 C -11.848 1.601 3.640 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4564 . 3 1 1 . CE1 C -13.817 3.538 3.732 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4565 . 3 1 1 . CE2 C -13.181 1.238 3.501 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4566 . 3 1 1 . CG C -11.497 2.924 3.912 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 4 . 4567 . 3 1 1 . CZ C -14.157 2.219 3.466 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4568 . 3 1 1 . H H -8.922 5.457 2.765 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 4 . 4569 . 3 1 1 . H11 H -6.843 3.669 3.812 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4570 . 3 1 1 . H12 H -8.059 4.492 4.791 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4571 . 3 1 1 . H13 H -6.867 5.431 3.892 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 4 . 4572 . 3 1 1 . HA H -10.036 3.567 1.929 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4573 . 3 1 1 . HB2 H -9.574 2.581 4.687 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4574 . 3 1 1 . HB3 H -10.023 4.283 4.553 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4575 . 3 1 1 . HD1 H -12.226 4.932 4.072 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4576 . 3 1 1 . HD2 H -11.081 0.838 3.650 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4577 . 3 1 1 . HE1 H -14.579 4.295 3.717 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4578 . 3 1 1 . HE2 H -13.447 0.210 3.307 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4579 . 3 1 1 . HN2 H -7.814 4.582 1.826 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 4580 . 3 1 1 . HZ H -15.192 1.944 3.340 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 4 . 4581 . 3 1 1 . N N -8.375 4.578 2.713 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 4 . 4582 . 3 1 1 . O O -8.706 1.123 3.194 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 4 . 4583 . 3 1 2 ILE C C -5.654 0.791 1.238 . . . 1.0 . . . . . . . . . . . . B . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4584 . 3 1 2 ILE CA C -7.147 0.694 0.979 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4585 . 3 1 2 ILE CB C -7.341 0.206 -0.484 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4586 . 3 1 2 ILE CD1 C -7.455 -2.335 -0.139 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4587 . 3 1 2 ILE CG1 C -6.671 -1.154 -0.652 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4588 . 3 1 2 ILE CG2 C -6.783 1.210 -1.482 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4589 . 3 1 2 ILE H H -7.718 2.717 0.649 . . . 1.0 . . . . . . . . . . . . B . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4590 . 3 1 2 ILE HA H -7.557 -0.062 1.634 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4591 . 3 1 2 ILE HB H -8.394 0.096 -0.678 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4592 . 3 1 2 ILE HD11 H -6.811 -2.965 0.454 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4593 . 3 1 2 ILE HD12 H -7.844 -2.892 -0.975 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4594 . 3 1 2 ILE HD13 H -8.274 -1.978 0.471 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4595 . 3 1 2 ILE HG12 H -6.494 -1.323 -1.702 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4596 . 3 1 2 ILE HG13 H -5.725 -1.143 -0.136 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4597 . 3 1 2 ILE HG21 H -5.901 1.680 -1.075 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4598 . 3 1 2 ILE HG22 H -7.536 1.964 -1.686 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4599 . 3 1 2 ILE HG23 H -6.526 0.698 -2.392 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4600 . 3 1 2 ILE N N -7.831 1.956 1.275 . . . 1.0 . . . . . . . . . . . . B . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4601 . 3 1 2 ILE O O -4.946 1.584 0.584 . . . 1.0 . . . . . . . . . . . . B . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4602 . 3 1 3 SER C C -3.220 -1.539 2.197 . . . 1.0 . . . . . . . . . . . . B . 3 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4603 . 3 1 3 SER CA C -3.782 -0.171 2.504 . . . 1.0 . . . . . . . . . . . . B . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4604 . 3 1 3 SER CB C -3.525 0.101 3.981 . . . 1.0 . . . . . . . . . . . . B . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4605 . 3 1 3 SER H H -5.835 -0.666 2.608 . . . 1.0 . . . . . . . . . . . . B . 3 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4606 . 3 1 3 SER HA H -3.243 0.552 1.921 . . . 1.0 . . . . . . . . . . . . B . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4607 . 3 1 3 SER HB2 H -3.997 -0.680 4.569 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4608 . 3 1 3 SER HB3 H -2.466 0.103 4.163 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4609 . 3 1 3 SER HG H -4.778 1.209 5.027 . . . 1.0 . . . . . . . . . . . . B . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4610 . 3 1 3 SER N N -5.193 -0.075 2.156 . . . 1.0 . . . . . . . . . . . . B . 3 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4611 . 3 1 3 SER O O -3.912 -2.468 1.753 . . . 1.0 . . . . . . . . . . . . B . 3 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4612 . 3 1 3 SER OG O -4.064 1.347 4.388 . . . 1.0 . . . . . . . . . . . . B . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4613 . 3 1 4 . C C -0.207 -2.594 1.154 . . . 1.0 . . . . . . . . . . . . B . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 4 . 4614 . 3 1 4 . CA C -1.212 -2.838 2.219 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 4 . 4615 . 3 1 4 . CB C -0.479 -3.242 3.503 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 4 . 4616 . 3 1 4 . CD C -1.502 -4.873 5.139 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 4 . 4617 . 3 1 4 . CG C -1.361 -3.414 4.737 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 4 . 4618 . 3 1 4 . CZ C -2.188 -6.996 4.090 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4619 . 3 1 4 . H H -1.435 -0.773 2.531 . . . 1.0 . . . . . . . . . . . . B . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 4 . 4620 . 3 1 4 . HA H -1.895 -3.617 1.916 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 4 . 4621 . 3 1 4 . HB2 H 0.259 -2.483 3.720 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4622 . 3 1 4 . HB3 H 0.027 -4.176 3.322 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4623 . 3 1 4 . HD2 H -2.042 -4.922 6.073 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4624 . 3 1 4 . HD3 H -0.519 -5.296 5.270 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 4625 . 3 1 4 . HE H -2.753 -5.175 3.470 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 4 . 4626 . 3 1 4 . HG2 H -2.340 -3.004 4.537 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4627 . 3 1 4 . HG3 H -0.907 -2.876 5.555 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 4628 . 3 1 4 . HH11 H -2.847 -8.691 3.126 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 4 . 4629 . 3 1 4 . HH12 H -3.443 -7.126 2.463 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 4 . 4630 . 3 1 4 . HH21 H -1.416 -8.718 4.921 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 4 . 4631 . 3 1 4 . HH22 H -0.882 -7.172 5.672 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 4 . 4632 . 3 1 4 . N N -1.936 -1.612 2.386 . . . 1.0 . . . . . . . . . . . . B . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 4 . 4633 . 3 1 4 . NE N -2.224 -5.663 4.140 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 4 . 4634 . 3 1 4 . NH1 N -2.877 -7.649 3.161 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 4 . 4635 . 3 1 4 . NH2 N -1.445 -7.677 4.957 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 4 . 4636 . 3 1 4 . O O 0.386 -1.517 1.114 . . . 1.0 . . . . . . . . . . . . B . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 4 . 4637 . 3 1 5 . C C 1.565 -4.620 -1.201 . . . 1.0 . . . . . . . . . . . . B . 5 28J C . . . . . . . . . c50202_6yfy 1 . 4 . 4638 . 3 1 5 . CA C 0.919 -3.334 -0.776 . . . 1.0 . . . . . . . . . . . . B . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 4 . 4639 . 3 1 5 . CB C 0.315 -2.624 -1.997 . . . 1.0 . . . . . . . . . . . . B . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 4 . 4640 . 3 1 5 . CD1 C 2.123 -0.835 -2.154 . . . 1.0 . . . . . . . . . . . . B . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4641 . 3 1 5 . CG1 C 0.656 -1.137 -1.952 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4642 . 3 1 5 . CG2 C -1.191 -2.807 -2.005 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4643 . 3 1 5 . H21 H 1.688 -2.691 -0.378 . . . 1.0 . . . . . . . . . . . . B . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 4 . 4644 . 3 1 5 . H22 H 0.723 -3.062 -2.896 . . . 1.0 . . . . . . . . . . . . B . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 4 . 4645 . 3 1 5 . H23 H -1.604 -2.288 -2.858 . . . 1.0 . . . . . . . . . . . . B . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 4 . 4646 . 3 1 5 . H24 H -1.611 -2.398 -1.098 . . . 1.0 . . . . . . . . . . . . B . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 4 . 4647 . 3 1 5 . H25 H -1.426 -3.856 -2.075 . . . 1.0 . . . . . . . . . . . . B . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 4 . 4648 . 3 1 5 . H26 H 0.358 -0.736 -0.994 . . . 1.0 . . . . . . . . . . . . B . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 4 . 4649 . 3 1 5 . H27 H 0.107 -0.632 -2.732 . . . 1.0 . . . . . . . . . . . . B . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 4 . 4650 . 3 1 5 . H28 H 2.442 -1.230 -3.107 . . . 1.0 . . . . . . . . . . . . B . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 4 . 4651 . 3 1 5 . H29 H 2.697 -1.293 -1.362 . . . 1.0 . . . . . . . . . . . . B . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 4 . 4652 . 3 1 5 . H30 H 2.272 0.234 -2.139 . . . 1.0 . . . . . . . . . . . . B . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 4 . 4653 . 3 1 5 . N N -0.039 -3.536 0.265 . . . 1.0 . . . . . . . . . . . . B . 5 28J N . . . . . . . . . c50202_6yfy 1 . 4 . 4654 . 3 1 5 . O O 0.970 -5.714 -1.078 . . . 1.0 . . . . . . . . . . . . B . 5 28J O . . . . . . . . . c50202_6yfy 1 . 4 . 4655 . 3 1 6 ILE C C 4.999 -5.700 -1.613 . . . 1.0 . . . . . . . . . . . . B . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4656 . 3 1 6 ILE CA C 3.563 -5.612 -2.130 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4657 . 3 1 6 ILE CB C 3.472 -5.592 -3.694 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4658 . 3 1 6 ILE CD1 C 4.764 -5.993 -5.839 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4659 . 3 1 6 ILE CG1 C 4.738 -6.147 -4.337 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4660 . 3 1 6 ILE CG2 C 3.110 -4.217 -4.296 . . . 1.0 . . . . . . . . . . . . B . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4661 . 3 1 6 ILE H H 3.290 -3.607 -1.471 . . . 1.0 . . . . . . . . . . . . B . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4662 . 3 1 6 ILE HA H 3.053 -6.497 -1.796 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4663 . 3 1 6 ILE HB H 2.657 -6.250 -3.951 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4664 . 3 1 6 ILE HD11 H 5.648 -6.474 -6.232 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4665 . 3 1 6 ILE HD12 H 4.781 -4.945 -6.097 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4666 . 3 1 6 ILE HD13 H 3.890 -6.450 -6.271 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4667 . 3 1 6 ILE HG12 H 5.591 -5.617 -3.941 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4668 . 3 1 6 ILE HG13 H 4.826 -7.196 -4.105 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4669 . 3 1 6 ILE HG21 H 3.082 -4.298 -5.378 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4670 . 3 1 6 ILE HG22 H 3.839 -3.474 -4.015 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4671 . 3 1 6 ILE HG23 H 2.133 -3.912 -3.945 . . . 1.0 . . . . . . . . . . . . B . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4672 . 3 1 6 ILE N N 2.830 -4.486 -1.595 . . . 1.0 . . . . . . . . . . . . B . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4673 . 3 1 6 ILE O O 5.662 -4.680 -1.334 . . . 1.0 . . . . . . . . . . . . B . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4674 . 3 1 7 SER C C 7.168 -8.687 -1.095 . . . 1.0 . . . . . . . . . . . . B . 7 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4675 . 3 1 7 SER CA C 6.782 -7.221 -0.913 . . . 1.0 . . . . . . . . . . . . B . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4676 . 3 1 7 SER CB C 6.941 -6.833 0.548 . . . 1.0 . . . . . . . . . . . . B . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4677 . 3 1 7 SER H H 4.798 -7.711 -1.481 . . . 1.0 . . . . . . . . . . . . B . 7 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4678 . 3 1 7 SER HA H 7.442 -6.614 -1.494 . . . 1.0 . . . . . . . . . . . . B . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4679 . 3 1 7 SER HB2 H 7.801 -7.332 0.958 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4680 . 3 1 7 SER HB3 H 7.063 -5.764 0.627 . . . 1.0 . . . . . . . . . . . . B . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4681 . 3 1 7 SER HG H 5.505 -8.070 0.996 . . . 1.0 . . . . . . . . . . . . B . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4682 . 3 1 7 SER N N 5.429 -6.952 -1.375 . . . 1.0 . . . . . . . . . . . . B . 7 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4683 . 3 1 7 SER O O 6.395 -9.499 -1.624 . . . 1.0 . . . . . . . . . . . . B . 7 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4684 . 3 1 7 SER OG O 5.811 -7.206 1.293 . . . 1.0 . . . . . . . . . . . . B . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4685 . 3 1 8 DTH C C 9.967 -10.423 -1.813 . . . 1.0 . . . . . . . . . . . . B . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 4 . 4686 . 3 1 8 DTH CA C 8.925 -10.364 -0.703 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 4 . 4687 . 3 1 8 DTH CB C 9.610 -10.810 0.616 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 4 . 4688 . 3 1 8 DTH CG2 C 8.618 -10.682 1.759 . . . 1.0 . . . . . . . . . . . . B . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4689 . 3 1 8 DTH H H 8.924 -8.292 -0.225 . . . 1.0 . . . . . . . . . . . . B . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 4 . 4690 . 3 1 8 DTH HA H 8.113 -11.043 -0.915 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 4 . 4691 . 3 1 8 DTH HB H 9.947 -11.853 0.535 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 4 . 4692 . 3 1 8 DTH HG21 H 9.079 -10.992 2.684 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4693 . 3 1 8 DTH HG22 H 7.750 -11.293 1.561 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4694 . 3 1 8 DTH HG23 H 8.312 -9.646 1.842 . . . 1.0 . . . . . . . . . . . . B . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4695 . 3 1 8 DTH N N 8.373 -9.009 -0.620 . . . 1.0 . . . . . . . . . . . . B . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 4 . 4696 . 3 1 8 DTH O O 10.450 -11.501 -2.167 . . . 1.0 . . . . . . . . . . . . B . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 4 . 4697 . 3 1 8 DTH OG1 O 10.760 -10.004 0.880 . . . 1.0 . . . . . . . . . . . . B . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4698 . 3 1 9 ALA C C 12.723 -8.984 -2.632 . . . 1.0 . . . . . . . . . . . . B . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 4699 . 3 1 9 ALA CA C 11.417 -9.085 -3.332 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 4700 . 3 1 9 ALA CB C 11.251 -7.802 -4.148 . . . 1.0 . . . . . . . . . . . . B . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 4701 . 3 1 9 ALA H H 9.952 -8.431 -1.963 . . . 1.0 . . . . . . . . . . . . B . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 4 . 4702 . 3 1 9 ALA HA H 11.416 -9.933 -3.995 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 4703 . 3 1 9 ALA HB1 H 10.463 -7.919 -4.873 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 4704 . 3 1 9 ALA HB2 H 12.181 -7.584 -4.656 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4705 . 3 1 9 ALA HB3 H 11.011 -6.980 -3.487 . . . 1.0 . . . . . . . . . . . . B . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4706 . 3 1 9 ALA N N 10.365 -9.237 -2.312 . . . 1.0 . . . . . . . . . . . . B . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 4707 . 3 1 9 ALA O O 13.649 -9.749 -2.874 . . . 1.0 . . . . . . . . . . . . B . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 4708 . 3 1 10 LEU C C 13.937 -8.660 0.271 . . . 1.0 . . . . . . . . . . . . B . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 4 . 4709 . 3 1 10 LEU CA C 13.943 -7.762 -0.933 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 4 . 4710 . 3 1 10 LEU CB C 14.014 -6.301 -0.475 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 4 . 4711 . 3 1 10 LEU CD1 C 13.152 -5.418 -2.634 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4712 . 3 1 10 LEU CD2 C 14.235 -3.854 -1.036 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4713 . 3 1 10 LEU CG C 14.222 -5.272 -1.586 . . . 1.0 . . . . . . . . . . . . B . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 4 . 4714 . 3 1 10 LEU H H 11.936 -7.467 -1.611 . . . 1.0 . . . . . . . . . . . . B . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 4 . 4715 . 3 1 10 LEU HA H 14.808 -7.994 -1.533 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 4 . 4716 . 3 1 10 LEU HB2 H 13.101 -6.060 0.048 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4717 . 3 1 10 LEU HB3 H 14.838 -6.214 0.221 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4718 . 3 1 10 LEU HD11 H 12.598 -6.329 -2.455 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4719 . 3 1 10 LEU HD12 H 13.610 -5.465 -3.611 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4720 . 3 1 10 LEU HD13 H 12.481 -4.575 -2.590 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4721 . 3 1 10 LEU HD21 H 13.234 -3.449 -1.064 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 4 . 4722 . 3 1 10 LEU HD22 H 14.887 -3.246 -1.645 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 4 . 4723 . 3 1 10 LEU HD23 H 14.595 -3.860 -0.018 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 4 . 4724 . 3 1 10 LEU HG H 15.174 -5.456 -2.063 . . . 1.0 . . . . . . . . . . . . B . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 4 . 4725 . 3 1 10 LEU N N 12.755 -8.021 -1.734 . . . 1.0 . . . . . . . . . . . . B . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 4 . 4726 . 3 1 10 LEU O O 14.891 -9.394 0.532 . . . 1.0 . . . . . . . . . . . . B . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 4 . 4727 . 3 1 11 ILE C C 11.527 -10.347 2.035 . . . 1.0 . . . . . . . . . . . . B . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4728 . 3 1 11 ILE CA C 12.728 -9.434 2.191 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4729 . 3 1 11 ILE CB C 12.621 -8.607 3.502 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4730 . 3 1 11 ILE CD1 C 13.591 -6.605 4.775 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4731 . 3 1 11 ILE CG1 C 13.700 -7.510 3.561 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4732 . 3 1 11 ILE CG2 C 12.772 -9.524 4.701 . . . 1.0 . . . . . . . . . . . . B . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4733 . 3 1 11 ILE H H 12.079 -8.012 0.715 . . . 1.0 . . . . . . . . . . . . B . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4734 . 3 1 11 ILE HA H 13.619 -10.045 2.249 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4735 . 3 1 11 ILE HB H 11.644 -8.150 3.541 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4736 . 3 1 11 ILE HD11 H 12.605 -6.166 4.812 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4737 . 3 1 11 ILE HD12 H 14.331 -5.821 4.710 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4738 . 3 1 11 ILE HD13 H 13.761 -7.184 5.673 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4739 . 3 1 11 ILE HG12 H 14.673 -7.979 3.591 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4740 . 3 1 11 ILE HG13 H 13.631 -6.893 2.678 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4741 . 3 1 11 ILE HG21 H 13.740 -10.005 4.662 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4742 . 3 1 11 ILE HG22 H 11.997 -10.275 4.679 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4743 . 3 1 11 ILE HG23 H 12.693 -8.946 5.608 . . . 1.0 . . . . . . . . . . . . B . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4744 . 3 1 11 ILE N N 12.848 -8.603 1.007 . . . 1.0 . . . . . . . . . . . . B . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4745 . 4 2 1 . C1 C 5.997 12.625 -0.098 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 4746 . 4 2 1 . C2 C 6.473 12.972 1.293 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 4747 . 4 2 1 . C3 C 5.824 12.671 2.431 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 4748 . 4 2 1 . C4 C 6.369 13.038 3.825 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 4749 . 4 2 1 . C5 C 4.485 11.946 2.461 . . . 1.0 . . . . . . . . . . . . F . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 4750 . 4 2 1 . H11 H 5.206 11.897 -0.020 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4751 . 4 2 1 . H12 H 5.616 13.516 -0.576 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4752 . 4 2 1 . H2 H 7.450 13.423 1.324 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 4753 . 4 2 1 . H41 H 6.910 13.975 3.770 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 4 . 4754 . 4 2 1 . H42 H 7.037 12.261 4.160 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 4755 . 4 2 1 . H43 H 5.549 13.133 4.524 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 4756 . 4 2 1 . H51 H 4.093 11.969 3.466 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 4757 . 4 2 1 . H52 H 4.633 10.927 2.153 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 4758 . 4 2 1 . H53 H 3.783 12.429 1.788 . . . 1.0 . . . . . . . . . . . . F . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 4759 . 5 1 1 . C C 7.164 -2.758 2.063 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 4 . 4760 . 5 1 1 . C10 C 6.402 -4.739 4.124 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 4 . 4761 . 5 1 1 . CA C 7.926 -4.063 2.347 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4762 . 5 1 1 . CB C 8.995 -3.777 3.409 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4763 . 5 1 1 . CD1 C 11.207 -4.505 2.477 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4764 . 5 1 1 . CD2 C 10.845 -2.167 2.762 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4765 . 5 1 1 . CE1 C 12.479 -4.253 1.994 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4766 . 5 1 1 . CE2 C 12.118 -1.906 2.266 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4767 . 5 1 1 . CG C 10.367 -3.475 2.849 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 4 . 4768 . 5 1 1 . CZ C 12.944 -2.956 1.905 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4769 . 5 1 1 . H H 7.573 -6.009 3.011 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 4 . 4770 . 5 1 1 . H11 H 5.906 -3.786 3.994 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4771 . 5 1 1 . H12 H 7.172 -4.638 4.876 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4772 . 5 1 1 . H13 H 5.681 -5.477 4.449 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 4 . 4773 . 5 1 1 . HA H 8.405 -4.401 1.440 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4774 . 5 1 1 . HB2 H 8.683 -2.924 3.994 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4775 . 5 1 1 . HB3 H 9.080 -4.635 4.062 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4776 . 5 1 1 . HD1 H 10.849 -5.519 2.530 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4777 . 5 1 1 . HD2 H 10.201 -1.348 3.046 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4778 . 5 1 1 . HE1 H 13.120 -5.075 1.710 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4779 . 5 1 1 . HE2 H 12.475 -0.889 2.189 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4780 . 5 1 1 . HN2 H 6.294 -5.347 2.115 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 4781 . 5 1 1 . HZ H 13.941 -2.763 1.533 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 4 . 4782 . 5 1 1 . N N 7.019 -5.147 2.843 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 4 . 4783 . 5 1 1 . O O 6.960 -1.963 2.980 . . . 1.0 . . . . . . . . . . . . E . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 4 . 4784 . 5 1 2 ILE C C 4.557 -1.355 0.858 . . . 1.0 . . . . . . . . . . . . E . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4785 . 5 1 2 ILE CA C 6.031 -1.284 0.524 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4786 . 5 1 2 ILE CB C 6.207 -0.843 -0.954 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4787 . 5 1 2 ILE CD1 C 5.499 0.960 -2.622 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4788 . 5 1 2 ILE CG1 C 5.525 0.509 -1.187 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4789 . 5 1 2 ILE CG2 C 5.663 -1.910 -1.901 . . . 1.0 . . . . . . . . . . . . E . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4790 . 5 1 2 ILE H H 6.816 -3.225 0.111 . . . 1.0 . . . . . . . . . . . . E . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4791 . 5 1 2 ILE HA H 6.470 -0.519 1.146 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4792 . 5 1 2 ILE HB H 7.264 -0.734 -1.147 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4793 . 5 1 2 ILE HD11 H 6.500 1.207 -2.940 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4794 . 5 1 2 ILE HD12 H 4.863 1.823 -2.709 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4795 . 5 1 2 ILE HD13 H 5.112 0.159 -3.240 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4796 . 5 1 2 ILE HG12 H 4.499 0.442 -0.853 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4797 . 5 1 2 ILE HG13 H 6.032 1.270 -0.612 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4798 . 5 1 2 ILE HG21 H 5.892 -1.649 -2.924 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4799 . 5 1 2 ILE HG22 H 4.593 -1.986 -1.779 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4800 . 5 1 2 ILE HG23 H 6.118 -2.858 -1.661 . . . 1.0 . . . . . . . . . . . . E . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4801 . 5 1 2 ILE N N 6.717 -2.539 0.822 . . . 1.0 . . . . . . . . . . . . E . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4802 . 5 1 2 ILE O O 3.796 -2.153 0.278 . . . 1.0 . . . . . . . . . . . . E . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4803 . 5 1 3 SER C C 2.270 0.996 2.013 . . . 1.0 . . . . . . . . . . . . E . 3 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4804 . 5 1 3 SER CA C 2.811 -0.395 2.246 . . . 1.0 . . . . . . . . . . . . E . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4805 . 5 1 3 SER CB C 2.622 -0.777 3.709 . . . 1.0 . . . . . . . . . . . . E . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4806 . 5 1 3 SER H H 4.870 0.054 2.245 . . . 1.0 . . . . . . . . . . . . E . 3 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4807 . 5 1 3 SER HA H 2.234 -1.072 1.644 . . . 1.0 . . . . . . . . . . . . E . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4808 . 5 1 3 SER HB2 H 2.932 0.059 4.327 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4809 . 5 1 3 SER HB3 H 1.581 -0.989 3.888 . . . 1.0 . . . . . . . . . . . . E . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4810 . 5 1 3 SER HG H 4.333 -1.709 3.990 . . . 1.0 . . . . . . . . . . . . E . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4811 . 5 1 3 SER N N 4.188 -0.507 1.818 . . . 1.0 . . . . . . . . . . . . E . 3 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4812 . 5 1 3 SER O O 2.980 1.933 1.612 . . . 1.0 . . . . . . . . . . . . E . 3 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4813 . 5 1 3 SER OG O 3.391 -1.905 4.079 . . . 1.0 . . . . . . . . . . . . E . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4814 . 5 1 4 . C C -0.925 2.057 1.242 . . . 1.0 . . . . . . . . . . . . E . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 4 . 4815 . 5 1 4 . CA C 0.260 2.325 2.117 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 4 . 4816 . 5 1 4 . CB C -0.236 2.834 3.465 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 4 . 4817 . 5 1 4 . CD C 0.959 4.503 4.873 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 4 . 4818 . 5 1 4 . CG C 0.859 3.046 4.489 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 4 . 4819 . 5 1 4 . CZ C 1.693 6.597 3.845 . . . 1.0 . . . . . . . . . . . . E . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4820 . 5 1 4 . H H 0.515 0.288 2.581 . . . 1.0 . . . . . . . . . . . . E . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 4 . 4821 . 5 1 4 . HA H 0.897 3.058 1.654 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 4 . 4822 . 5 1 4 . HB2 H -0.939 2.118 3.866 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4823 . 5 1 4 . HB3 H -0.744 3.773 3.313 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4824 . 5 1 4 . HD2 H 1.454 4.573 5.829 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4825 . 5 1 4 . HD3 H -0.036 4.912 4.951 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 4826 . 5 1 4 . HE H 2.251 4.774 3.246 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 4 . 4827 . 5 1 4 . HG2 H 1.803 2.722 4.075 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4828 . 5 1 4 . HG3 H 0.629 2.467 5.371 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 4829 . 5 1 4 . HH11 H 2.393 8.264 2.877 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 4 . 4830 . 5 1 4 . HH12 H 2.951 6.681 2.226 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 4 . 4831 . 5 1 4 . HH21 H 0.936 8.329 4.666 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 4 . 4832 . 5 1 4 . HH22 H 0.356 6.792 5.399 . . . 1.0 . . . . . . . . . . . . E . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 4 . 4833 . 5 1 4 . N N 0.993 1.095 2.280 . . . 1.0 . . . . . . . . . . . . E . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 4 . 4834 . 5 1 4 . NE N 1.708 5.272 3.896 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 4 . 4835 . 5 1 4 . NH1 N 2.396 7.225 2.918 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 4 . 4836 . 5 1 4 . NH2 N 0.945 7.289 4.699 . . . 1.0 . . . . . . . . . . . . E . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 4 . 4837 . 5 1 4 . O O -1.582 1.027 1.441 . . . 1.0 . . . . . . . . . . . . E . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 4 . 4838 . 5 1 5 . C C -2.918 4.122 -1.017 . . . 1.0 . . . . . . . . . . . . E . 5 28J C . . . . . . . . . c50202_6yfy 1 . 4 . 4839 . 5 1 5 . CA C -2.311 2.785 -0.615 . . . 1.0 . . . . . . . . . . . . E . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 4 . 4840 . 5 1 5 . CB C -1.935 2.030 -1.908 . . . 1.0 . . . . . . . . . . . . E . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 4 . 4841 . 5 1 5 . CD1 C -3.563 0.131 -2.420 . . . 1.0 . . . . . . . . . . . . E . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4842 . 5 1 5 . CG1 C -2.260 0.538 -1.766 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4843 . 5 1 5 . CG2 C -0.466 2.224 -2.246 . . . 1.0 . . . . . . . . . . . . E . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4844 . 5 1 5 . H21 H -3.057 2.205 -0.094 . . . 1.0 . . . . . . . . . . . . E . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 4 . 4845 . 5 1 5 . H22 H -2.521 2.439 -2.718 . . . 1.0 . . . . . . . . . . . . E . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 4 . 4846 . 5 1 5 . H23 H -0.258 3.278 -2.355 . . . 1.0 . . . . . . . . . . . . E . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 4 . 4847 . 5 1 5 . H24 H -0.236 1.714 -3.170 . . . 1.0 . . . . . . . . . . . . E . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 4 . 4848 . 5 1 5 . H25 H 0.140 1.818 -1.450 . . . 1.0 . . . . . . . . . . . . E . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 4 . 4849 . 5 1 5 . H26 H -2.325 0.291 -0.716 . . . 1.0 . . . . . . . . . . . . E . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 4 . 4850 . 5 1 5 . H27 H -1.468 -0.041 -2.217 . . . 1.0 . . . . . . . . . . . . E . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 4 . 4851 . 5 1 5 . H28 H -3.818 -0.876 -2.122 . . . 1.0 . . . . . . . . . . . . E . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 4 . 4852 . 5 1 5 . H29 H -3.455 0.171 -3.494 . . . 1.0 . . . . . . . . . . . . E . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 4 . 4853 . 5 1 5 . H30 H -4.348 0.806 -2.111 . . . 1.0 . . . . . . . . . . . . E . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 4 . 4854 . 5 1 5 . N N -1.178 2.948 0.270 . . . 1.0 . . . . . . . . . . . . E . 5 28J N . . . . . . . . . c50202_6yfy 1 . 4 . 4855 . 5 1 5 . O O -2.232 5.167 -0.999 . . . 1.0 . . . . . . . . . . . . E . 5 28J O . . . . . . . . . c50202_6yfy 1 . 4 . 4856 . 5 1 6 ILE C C -6.218 5.574 -0.983 . . . 1.0 . . . . . . . . . . . . E . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4857 . 5 1 6 ILE CA C -4.935 5.286 -1.778 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4858 . 5 1 6 ILE CB C -5.182 5.176 -3.349 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4859 . 5 1 6 ILE CD1 C -7.762 5.350 -3.397 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4860 . 5 1 6 ILE CG1 C -6.445 5.930 -3.831 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4861 . 5 1 6 ILE CG2 C -5.247 3.729 -3.884 . . . 1.0 . . . . . . . . . . . . E . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4862 . 5 1 6 ILE H H -4.757 3.295 -0.984 . . . 1.0 . . . . . . . . . . . . E . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4863 . 5 1 6 ILE HA H -4.268 6.122 -1.623 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4864 . 5 1 6 ILE HB H -4.326 5.632 -3.822 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4865 . 5 1 6 ILE HD11 H -7.784 4.293 -3.619 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4866 . 5 1 6 ILE HD12 H -8.570 5.846 -3.916 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4867 . 5 1 6 ILE HD13 H -7.874 5.493 -2.332 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4868 . 5 1 6 ILE HG12 H -6.414 6.931 -3.437 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4869 . 5 1 6 ILE HG13 H -6.445 5.975 -4.907 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4870 . 5 1 6 ILE HG21 H -5.533 3.752 -4.933 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4871 . 5 1 6 ILE HG22 H -5.980 3.157 -3.336 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4872 . 5 1 6 ILE HG23 H -4.279 3.253 -3.797 . . . 1.0 . . . . . . . . . . . . E . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4873 . 5 1 6 ILE N N -4.234 4.099 -1.265 . . . 1.0 . . . . . . . . . . . . E . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4874 . 5 1 6 ILE O O -6.844 4.661 -0.387 . . . 1.0 . . . . . . . . . . . . E . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 4875 . 5 1 7 SER C C -8.075 8.708 -0.373 . . . 1.0 . . . . . . . . . . . . E . 7 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 4876 . 5 1 7 SER CA C -7.732 7.273 -0.144 . . . 1.0 . . . . . . . . . . . . E . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 4877 . 5 1 7 SER CB C -7.520 7.161 1.336 . . . 1.0 . . . . . . . . . . . . E . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 4878 . 5 1 7 SER H H -5.914 7.567 -1.188 . . . 1.0 . . . . . . . . . . . . E . 7 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 4879 . 5 1 7 SER HA H -8.553 6.631 -0.434 . . . 1.0 . . . . . . . . . . . . E . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 4880 . 5 1 7 SER HB2 H -6.994 6.248 1.551 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4881 . 5 1 7 SER HB3 H -6.959 8.008 1.689 . . . 1.0 . . . . . . . . . . . . E . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4882 . 5 1 7 SER HG H -8.974 7.997 2.356 . . . 1.0 . . . . . . . . . . . . E . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 4883 . 5 1 7 SER N N -6.536 6.866 -0.851 . . . 1.0 . . . . . . . . . . . . E . 7 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 4884 . 5 1 7 SER O O -7.234 9.522 -0.791 . . . 1.0 . . . . . . . . . . . . E . 7 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 4885 . 5 1 7 SER OG O -8.773 7.131 2.000 . . . 1.0 . . . . . . . . . . . . E . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 4886 . 5 1 8 DTH C C -11.159 10.407 -0.873 . . . 1.0 . . . . . . . . . . . . E . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 4 . 4887 . 5 1 8 DTH CA C -9.817 10.360 -0.075 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 4 . 4888 . 5 1 8 DTH CB C -10.224 10.947 1.299 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 4 . 4889 . 5 1 8 DTH CG2 C -9.061 10.842 2.247 . . . 1.0 . . . . . . . . . . . . E . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4890 . 5 1 8 DTH H H -9.924 8.302 0.293 . . . 1.0 . . . . . . . . . . . . E . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 4 . 4891 . 5 1 8 DTH HA H -9.109 11.009 -0.567 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 4 . 4892 . 5 1 8 DTH HB H -10.512 11.998 1.183 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 4 . 4893 . 5 1 8 DTH HG21 H -8.226 11.395 1.847 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4894 . 5 1 8 DTH HG22 H -8.781 9.807 2.377 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4895 . 5 1 8 DTH HG23 H -9.343 11.262 3.202 . . . 1.0 . . . . . . . . . . . . E . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4896 . 5 1 8 DTH N N -9.297 9.024 0.001 . . . 1.0 . . . . . . . . . . . . E . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 4 . 4897 . 5 1 8 DTH O O -11.626 11.526 -1.078 . . . 1.0 . . . . . . . . . . . . E . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 4 . 4898 . 5 1 8 DTH OG1 O -11.375 10.266 1.828 . . . 1.0 . . . . . . . . . . . . E . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4899 . 5 1 9 ALA C C -14.011 9.384 -0.736 . . . 1.0 . . . . . . . . . . . . E . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 4900 . 5 1 9 ALA CA C -12.944 9.155 -1.836 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 4901 . 5 1 9 ALA CB C -12.984 7.767 -2.514 . . . 1.0 . . . . . . . . . . . . E . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 4902 . 5 1 9 ALA H H -11.225 8.432 -1.197 . . . 1.0 . . . . . . . . . . . . E . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 4 . 4903 . 5 1 9 ALA HA H -12.995 9.898 -2.584 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 4904 . 5 1 9 ALA HB1 H -13.466 7.856 -3.478 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 4905 . 5 1 9 ALA HB2 H -13.545 7.069 -1.915 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4906 . 5 1 9 ALA HB3 H -11.975 7.393 -2.650 . . . 1.0 . . . . . . . . . . . . E . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4907 . 5 1 9 ALA N N -11.714 9.252 -1.257 . . . 1.0 . . . . . . . . . . . . E . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 4908 . 5 1 9 ALA O O -14.501 10.496 -0.526 . . . 1.0 . . . . . . . . . . . . E . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 4909 . 5 1 10 LEU C C -14.913 9.269 2.198 . . . 1.0 . . . . . . . . . . . . E . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 4 . 4910 . 5 1 10 LEU CA C -15.291 8.327 1.075 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 4 . 4911 . 5 1 10 LEU CB C -15.391 6.923 1.675 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 4 . 4912 . 5 1 10 LEU CD1 C -16.292 6.413 -0.563 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4913 . 5 1 10 LEU CD2 C -15.237 4.571 0.740 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4914 . 5 1 10 LEU CG C -16.058 5.856 0.813 . . . 1.0 . . . . . . . . . . . . E . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 4 . 4915 . 5 1 10 LEU H H -13.882 7.472 -0.257 . . . 1.0 . . . . . . . . . . . . E . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 4 . 4916 . 5 1 10 LEU HA H -16.242 8.619 0.670 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 4 . 4917 . 5 1 10 LEU HB2 H -14.394 6.594 1.910 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4918 . 5 1 10 LEU HB3 H -15.946 7.006 2.596 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4919 . 5 1 10 LEU HD11 H -16.699 5.637 -1.196 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4920 . 5 1 10 LEU HD12 H -15.359 6.763 -0.978 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4921 . 5 1 10 LEU HD13 H -16.993 7.232 -0.507 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4922 . 5 1 10 LEU HD21 H -14.337 4.687 1.322 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 4 . 4923 . 5 1 10 LEU HD22 H -14.976 4.360 -0.279 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 4 . 4924 . 5 1 10 LEU HD23 H -15.817 3.757 1.128 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 4 . 4925 . 5 1 10 LEU HG H -17.022 5.613 1.241 . . . 1.0 . . . . . . . . . . . . E . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 4 . 4926 . 5 1 10 LEU N N -14.303 8.321 -0.012 . . . 1.0 . . . . . . . . . . . . E . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 4 . 4927 . 5 1 10 LEU O O -15.739 10.005 2.746 . . . 1.0 . . . . . . . . . . . . E . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 4 . 4928 . 5 1 11 ILE C C -11.841 10.753 3.091 . . . 1.0 . . . . . . . . . . . . E . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 4929 . 5 1 11 ILE CA C -13.079 10.031 3.602 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4930 . 5 1 11 ILE CB C -12.689 9.190 4.865 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4931 . 5 1 11 ILE CD1 C -13.301 7.129 6.272 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4932 . 5 1 11 ILE CG1 C -13.729 8.100 5.175 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 4933 . 5 1 11 ILE CG2 C -12.539 10.101 6.081 . . . 1.0 . . . . . . . . . . . . E . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 4934 . 5 1 11 ILE H H -13.066 8.695 1.922 . . . 1.0 . . . . . . . . . . . . E . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 4935 . 5 1 11 ILE HA H -13.817 10.768 3.893 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4936 . 5 1 11 ILE HB H -11.733 8.724 4.679 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 4937 . 5 1 11 ILE HD11 H -13.092 7.676 7.180 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 4938 . 5 1 11 ILE HD12 H -12.414 6.599 5.960 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 4939 . 5 1 11 ILE HD13 H -14.097 6.421 6.456 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 4940 . 5 1 11 ILE HG12 H -14.646 8.570 5.499 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 4941 . 5 1 11 ILE HG13 H -13.920 7.527 4.282 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 4942 . 5 1 11 ILE HG21 H -13.475 10.605 6.272 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 4943 . 5 1 11 ILE HG22 H -11.768 10.833 5.891 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 4944 . 5 1 11 ILE HG23 H -12.267 9.508 6.941 . . . 1.0 . . . . . . . . . . . . E . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 4945 . 5 1 11 ILE N N -13.652 9.226 2.514 . . . 1.0 . . . . . . . . . . . . E . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 4946 . 6 3 1 . C1 C -9.161 -9.037 8.794 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 4 . 4947 . 6 3 1 . C10 C -10.351 -12.408 11.816 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 4 . 4948 . 6 3 1 . C11 C -7.659 -12.391 11.498 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 4 . 4949 . 6 3 1 . C2 C -8.483 -10.446 8.889 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 4 . 4950 . 6 3 1 . C3 C -9.571 -11.516 8.683 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 4 . 4951 . 6 3 1 . C4 C -10.938 -10.971 8.988 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 4 . 4952 . 6 3 1 . C5 C -11.300 -9.828 8.030 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 4 . 4953 . 6 3 1 . C6 C -12.324 -8.901 8.669 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 4 . 4954 . 6 3 1 . C7 C -7.540 -11.276 6.839 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 4 . 4955 . 6 3 1 . C8 C -6.363 -11.457 5.943 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 4 . 4956 . 6 3 1 . C9 C -9.121 -12.424 10.876 . . . 1.0 . . . . . . . . . . . . C . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 4 . 4957 . 6 3 1 . H1 H -9.735 -8.791 9.736 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 4 . 4958 . 6 3 1 . H111 H -7.087 -13.327 11.298 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 4 . 4959 . 6 3 1 . H112 H -7.735 -12.269 12.523 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 4 . 4960 . 6 3 1 . H113 H -7.143 -11.515 11.094 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 4 . 4961 . 6 3 1 . H2 H -7.982 -10.388 9.875 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 4 . 4962 . 6 3 1 . H3 H -9.509 -11.971 7.713 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 4 . 4963 . 6 3 1 . H4A H -11.062 -10.845 10.060 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 4 . 4964 . 6 3 1 . H5 H -11.704 -10.111 7.172 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 4 . 4965 . 6 3 1 . H61 H -13.248 -9.502 8.859 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 4 . 4966 . 6 3 1 . H62 H -12.619 -8.039 7.997 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 4 . 4967 . 6 3 1 . H81 H -5.598 -12.003 6.483 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 4 . 4968 . 6 3 1 . H82 H -5.983 -10.498 5.659 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 4 . 4969 . 6 3 1 . H83 H -6.682 -11.997 5.059 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 4 . 4970 . 6 3 1 . H9 H -9.381 -11.345 10.706 . . . 1.0 . . . . . . . . . . . . C . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 4 . 4971 . 6 3 1 . HN2 H -6.447 -10.336 8.238 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 4972 . 6 3 1 . HO6 H -11.442 -7.653 9.979 . . . 1.0 . . . . . . . . . . . . C . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 4973 . 6 3 1 . N2 N -7.377 -10.604 7.968 . . . 1.0 . . . . . . . . . . . . C . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 4 . 4974 . 6 3 1 . O1 O -8.226 -8.041 8.651 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 4 . 4975 . 6 3 1 . O10 O -10.186 -12.302 13.030 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 4 . 4976 . 6 3 1 . O3 O -9.284 -12.703 9.480 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 4 . 4977 . 6 3 1 . O4 O -11.932 -12.043 8.939 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 4 . 4978 . 6 3 1 . O5 O -10.118 -9.029 7.743 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 4 . 4979 . 6 3 1 . O6 O -11.906 -8.497 9.963 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 4 . 4980 . 6 3 1 . O7 O -8.649 -11.626 6.455 . . . 1.0 . . . . . . . . . . . . C . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 4 . 4981 . 7 1 1 . C C -7.488 13.046 -3.468 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 4 . 4982 . 7 1 1 . C10 C -7.313 15.662 -2.038 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 4 . 4983 . 7 1 1 . CA C -7.979 14.383 -4.041 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 4 . 4984 . 7 1 1 . CB C -9.478 14.548 -3.738 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 4 . 4985 . 7 1 1 . CD1 C -10.507 14.941 -6.010 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4986 . 7 1 1 . CD2 C -11.107 12.947 -4.824 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 4987 . 7 1 1 . CE1 C -11.339 14.569 -7.056 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 4 . 4988 . 7 1 1 . CE2 C -11.939 12.571 -5.870 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 4 . 4989 . 7 1 1 . CG C -10.380 14.136 -4.880 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 4 . 4990 . 7 1 1 . CZ C -12.056 13.384 -6.987 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 4 . 4991 . 7 1 1 . H H -7.514 16.425 -3.930 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 4 . 4992 . 7 1 1 . H11 H -6.954 14.755 -1.568 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 4 . 4993 . 7 1 1 . H12 H -8.350 15.815 -1.776 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 4 . 4994 . 7 1 1 . H13 H -6.727 16.502 -1.688 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 4 . 4995 . 7 1 1 . HA H -7.847 14.361 -5.114 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 4 . 4996 . 7 1 1 . HB2 H -9.734 13.942 -2.881 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 4997 . 7 1 1 . HB3 H -9.683 15.584 -3.512 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 4998 . 7 1 1 . HD1 H -9.948 15.863 -6.069 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 4 . 4999 . 7 1 1 . HD2 H -11.016 12.311 -3.956 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5000 . 7 1 1 . HE1 H -11.429 15.204 -7.928 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 4 . 5001 . 7 1 1 . HE2 H -12.496 11.646 -5.813 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 5002 . 7 1 1 . HN2 H -6.173 15.406 -3.766 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5003 . 7 1 1 . HZ H -12.706 13.094 -7.801 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 4 . 5004 . 7 1 1 . N N -7.180 15.542 -3.505 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 4 . 5005 . 7 1 1 . O O -8.087 12.497 -2.544 . . . 1.0 . . . . . . . . . . . . F . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 4 . 5006 . 7 1 2 ILE C C -4.916 11.484 -2.359 . . . 1.0 . . . . . . . . . . . . F . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 5007 . 7 1 2 ILE CA C -5.836 11.271 -3.560 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 5008 . 7 1 2 ILE CB C -5.069 10.557 -4.718 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 5009 . 7 1 2 ILE CD1 C -4.101 8.302 -5.445 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 5010 . 7 1 2 ILE CG1 C -4.669 9.135 -4.323 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 5011 . 7 1 2 ILE CG2 C -3.846 11.360 -5.134 . . . 1.0 . . . . . . . . . . . . F . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5012 . 7 1 2 ILE H H -5.911 13.048 -4.699 . . . 1.0 . . . . . . . . . . . . F . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 5013 . 7 1 2 ILE HA H -6.660 10.641 -3.258 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 5014 . 7 1 2 ILE HB H -5.730 10.502 -5.573 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 5015 . 7 1 2 ILE HD11 H -3.229 8.792 -5.856 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 5016 . 7 1 2 ILE HD12 H -4.849 8.188 -6.210 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 5017 . 7 1 2 ILE HD13 H -3.822 7.332 -5.060 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 5018 . 7 1 2 ILE HG12 H -3.918 9.188 -3.551 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 5019 . 7 1 2 ILE HG13 H -5.535 8.617 -3.935 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 5020 . 7 1 2 ILE HG21 H -3.350 10.872 -5.962 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 5021 . 7 1 2 ILE HG22 H -3.166 11.433 -4.299 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 5022 . 7 1 2 ILE HG23 H -4.154 12.350 -5.433 . . . 1.0 . . . . . . . . . . . . F . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 5023 . 7 1 2 ILE N N -6.386 12.546 -4.008 . . . 1.0 . . . . . . . . . . . . F . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 5024 . 7 1 2 ILE O O -4.279 12.531 -2.232 . . . 1.0 . . . . . . . . . . . . F . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 5025 . 7 1 3 SER C C -3.470 9.185 0.034 . . . 1.0 . . . . . . . . . . . . F . 3 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 5026 . 7 1 3 SER CA C -4.030 10.564 -0.289 . . . 1.0 . . . . . . . . . . . . F . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 5027 . 7 1 3 SER CB C -4.721 11.167 0.945 . . . 1.0 . . . . . . . . . . . . F . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 5028 . 7 1 3 SER H H -5.508 9.739 -1.568 . . . 1.0 . . . . . . . . . . . . F . 3 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 5029 . 7 1 3 SER HA H -3.200 11.198 -0.554 . . . 1.0 . . . . . . . . . . . . F . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 5030 . 7 1 3 SER HB2 H -5.487 10.480 1.282 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5031 . 7 1 3 SER HB3 H -3.991 11.296 1.730 . . . 1.0 . . . . . . . . . . . . F . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5032 . 7 1 3 SER HG H -5.221 12.653 -0.246 . . . 1.0 . . . . . . . . . . . . F . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 5033 . 7 1 3 SER N N -4.908 10.508 -1.453 . . . 1.0 . . . . . . . . . . . . F . 3 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 5034 . 7 1 3 SER O O -4.000 8.148 -0.414 . . . 1.0 . . . . . . . . . . . . F . 3 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 5035 . 7 1 3 SER OG O -5.337 12.413 0.681 . . . 1.0 . . . . . . . . . . . . F . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 5036 . 7 1 4 . C C -0.233 8.059 0.838 . . . 1.0 . . . . . . . . . . . . F . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 4 . 5037 . 7 1 4 . CA C -1.693 8.003 1.229 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 4 . 5038 . 7 1 4 . CB C -1.763 7.865 2.750 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 4 . 5039 . 7 1 4 . CD C -3.679 6.672 3.728 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 4 . 5040 . 7 1 4 . CG C -3.157 8.024 3.308 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 4 . 5041 . 7 1 4 . CZ C -4.222 4.567 2.670 . . . 1.0 . . . . . . . . . . . . F . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 4 . 5042 . 7 1 4 . H H -2.033 10.073 1.098 . . . 1.0 . . . . . . . . . . . . F . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 4 . 5043 . 7 1 4 . HA H -2.158 7.151 0.766 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 4 . 5044 . 7 1 4 . HB2 H -1.125 8.612 3.200 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5045 . 7 1 4 . HB3 H -1.404 6.885 3.019 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5046 . 7 1 4 . HD2 H -4.452 6.812 4.466 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5047 . 7 1 4 . HD3 H -2.863 6.126 4.168 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 5048 . 7 1 4 . HE H -4.449 6.359 1.806 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 4 . 5049 . 7 1 4 . HG2 H -3.804 8.435 2.545 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5050 . 7 1 4 . HG3 H -3.125 8.684 4.162 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5051 . 7 1 4 . HH11 H -4.621 2.843 1.630 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 4 . 5052 . 7 1 4 . HH12 H -4.782 4.384 0.709 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 4 . 5053 . 7 1 4 . HH21 H -3.814 2.906 3.829 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 4 . 5054 . 7 1 4 . HH22 H -3.643 4.504 4.643 . . . 1.0 . . . . . . . . . . . . F . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 4 . 5055 . 7 1 4 . N N -2.383 9.206 0.806 . . . 1.0 . . . . . . . . . . . . F . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 4 . 5056 . 7 1 4 . NE N -4.203 5.886 2.631 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 4 . 5057 . 7 1 4 . NH1 N -4.589 3.882 1.601 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 4 . 5058 . 7 1 4 . NH2 N -3.863 3.946 3.788 . . . 1.0 . . . . . . . . . . . . F . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 4 . 5059 . 7 1 4 . O O 0.483 8.970 1.252 . . . 1.0 . . . . . . . . . . . . F . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 4 . 5060 . 7 1 5 . C C 2.247 5.700 -0.127 . . . 1.0 . . . . . . . . . . . . F . 5 28J C . . . . . . . . . c50202_6yfy 1 . 4 . 5061 . 7 1 5 . CA C 1.622 7.092 -0.339 . . . 1.0 . . . . . . . . . . . . F . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 4 . 5062 . 7 1 5 . CB C 1.837 7.604 -1.794 . . . 1.0 . . . . . . . . . . . . F . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 4 . 5063 . 7 1 5 . CD1 C 2.863 9.825 -1.057 . . . 1.0 . . . . . . . . . . . . F . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 5064 . 7 1 5 . CG1 C 1.772 9.135 -1.853 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 5065 . 7 1 5 . CG2 C 0.770 7.023 -2.722 . . . 1.0 . . . . . . . . . . . . F . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5066 . 7 1 5 . H21 H 2.126 7.780 0.324 . . . 1.0 . . . . . . . . . . . . F . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 4 . 5067 . 7 1 5 . H22 H 2.804 7.272 -2.140 . . . 1.0 . . . . . . . . . . . . F . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 4 . 5068 . 7 1 5 . H23 H 0.935 7.385 -3.727 . . . 1.0 . . . . . . . . . . . . F . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 4 . 5069 . 7 1 5 . H24 H -0.210 7.328 -2.388 . . . 1.0 . . . . . . . . . . . . F . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 4 . 5070 . 7 1 5 . H25 H 0.834 5.945 -2.715 . . . 1.0 . . . . . . . . . . . . F . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 4 . 5071 . 7 1 5 . H26 H 0.819 9.465 -1.471 . . . 1.0 . . . . . . . . . . . . F . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 4 . 5072 . 7 1 5 . H27 H 1.870 9.449 -2.882 . . . 1.0 . . . . . . . . . . . . F . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 4 . 5073 . 7 1 5 . H28 H 2.691 9.673 -0.001 . . . 1.0 . . . . . . . . . . . . F . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 4 . 5074 . 7 1 5 . H29 H 2.853 10.883 -1.274 . . . 1.0 . . . . . . . . . . . . F . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 4 . 5075 . 7 1 5 . H30 H 3.823 9.411 -1.328 . . . 1.0 . . . . . . . . . . . . F . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 4 . 5076 . 7 1 5 . N N 0.219 7.104 0.040 . . . 1.0 . . . . . . . . . . . . F . 5 28J N . . . . . . . . . c50202_6yfy 1 . 4 . 5077 . 7 1 5 . O O 1.529 4.688 -0.025 . . . 1.0 . . . . . . . . . . . . F . 5 28J O . . . . . . . . . c50202_6yfy 1 . 4 . 5078 . 7 1 6 ILE C C 5.195 4.457 1.521 . . . 1.0 . . . . . . . . . . . . F . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 5079 . 7 1 6 ILE CA C 4.391 4.466 0.192 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 5080 . 7 1 6 ILE CB C 5.376 4.333 -1.014 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 5081 . 7 1 6 ILE CD1 C 7.813 3.836 -1.660 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 5082 . 7 1 6 ILE CG1 C 6.826 4.071 -0.553 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 5083 . 7 1 6 ILE CG2 C 5.327 5.588 -1.916 . . . 1.0 . . . . . . . . . . . . F . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5084 . 7 1 6 ILE H H 4.057 6.552 -0.017 . . . 1.0 . . . . . . . . . . . . F . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 5085 . 7 1 6 ILE HA H 3.722 3.619 0.177 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 5086 . 7 1 6 ILE HB H 5.041 3.497 -1.613 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 5087 . 7 1 6 ILE HD11 H 7.762 4.647 -2.373 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 5088 . 7 1 6 ILE HD12 H 7.580 2.904 -2.158 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 5089 . 7 1 6 ILE HD13 H 8.809 3.784 -1.245 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 5090 . 7 1 6 ILE HG12 H 7.182 4.921 0.004 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 5091 . 7 1 6 ILE HG13 H 6.839 3.199 0.081 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 5092 . 7 1 6 ILE HG21 H 5.989 5.457 -2.764 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 5093 . 7 1 6 ILE HG22 H 5.637 6.458 -1.356 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 5094 . 7 1 6 ILE HG23 H 4.315 5.741 -2.277 . . . 1.0 . . . . . . . . . . . . F . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 5095 . 7 1 6 ILE N N 3.587 5.691 0.012 . . . 1.0 . . . . . . . . . . . . F . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 5096 . 7 1 6 ILE O O 5.779 5.473 1.908 . . . 1.0 . . . . . . . . . . . . F . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 4 . 5097 . 7 1 7 SER C C 6.182 1.659 3.796 . . . 1.0 . . . . . . . . . . . . F . 7 SER C . . . . . . . . . c50202_6yfy 1 . 4 . 5098 . 7 1 7 SER CA C 5.960 3.140 3.489 . . . 1.0 . . . . . . . . . . . . F . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 4 . 5099 . 7 1 7 SER CB C 5.214 3.723 4.686 . . . 1.0 . . . . . . . . . . . . F . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 4 . 5100 . 7 1 7 SER H H 4.640 2.549 1.919 . . . 1.0 . . . . . . . . . . . . F . 7 SER H . . . . . . . . . c50202_6yfy 1 . 4 . 5101 . 7 1 7 SER HA H 6.914 3.644 3.381 . . . 1.0 . . . . . . . . . . . . F . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 4 . 5102 . 7 1 7 SER HB2 H 4.486 3.008 5.041 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5103 . 7 1 7 SER HB3 H 5.910 3.958 5.474 . . . 1.0 . . . . . . . . . . . . F . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5104 . 7 1 7 SER HG H 5.020 5.365 3.626 . . . 1.0 . . . . . . . . . . . . F . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 4 . 5105 . 7 1 7 SER N N 5.194 3.306 2.233 . . . 1.0 . . . . . . . . . . . . F . 7 SER N . . . . . . . . . c50202_6yfy 1 . 4 . 5106 . 7 1 7 SER O O 6.026 0.796 2.916 . . . 1.0 . . . . . . . . . . . . F . 7 SER O . . . . . . . . . c50202_6yfy 1 . 4 . 5107 . 7 1 7 SER OG O 4.530 4.909 4.316 . . . 1.0 . . . . . . . . . . . . F . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 4 . 5108 . 7 1 8 DTH C C 8.237 -0.349 5.452 . . . 1.0 . . . . . . . . . . . . F . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 4 . 5109 . 7 1 8 DTH CA C 6.709 -0.016 5.523 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 4 . 5110 . 7 1 8 DTH CB C 6.323 -0.226 7.022 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 4 . 5111 . 7 1 8 DTH CG2 C 4.897 0.237 7.241 . . . 1.0 . . . . . . . . . . . . F . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5112 . 7 1 8 DTH H H 6.633 2.115 5.710 . . . 1.0 . . . . . . . . . . . . F . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 4 . 5113 . 7 1 8 DTH HA H 6.149 -0.696 4.898 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 4 . 5114 . 7 1 8 DTH HB H 6.401 -1.289 7.285 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 4 . 5115 . 7 1 8 DTH HG21 H 4.235 -0.314 6.592 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 5116 . 7 1 8 DTH HG22 H 4.814 1.294 7.034 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 5117 . 7 1 8 DTH HG23 H 4.623 0.051 8.271 . . . 1.0 . . . . . . . . . . . . F . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 5118 . 7 1 8 DTH N N 6.496 1.368 5.060 . . . 1.0 . . . . . . . . . . . . F . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 4 . 5119 . 7 1 8 DTH O O 8.571 -1.538 5.573 . . . 1.0 . . . . . . . . . . . . F . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 4 . 5120 . 7 1 8 DTH OG1 O 7.219 0.481 7.902 . . . 1.0 . . . . . . . . . . . . F . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 4 . 5121 . 7 1 9 ALA C C 10.777 0.715 6.812 . . . 1.0 . . . . . . . . . . . . F . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 5122 . 7 1 9 ALA CA C 10.427 0.687 5.317 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 5123 . 7 1 9 ALA CB C 10.792 1.992 4.548 . . . 1.0 . . . . . . . . . . . . F . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 5124 . 7 1 9 ALA H H 8.673 1.529 5.140 . . . 1.0 . . . . . . . . . . . . F . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 4 . 5125 . 7 1 9 ALA HA H 10.828 -0.180 4.812 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 5126 . 7 1 9 ALA HB1 H 11.793 2.283 4.822 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5127 . 7 1 9 ALA HB2 H 10.133 2.794 4.773 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5128 . 7 1 9 ALA HB3 H 10.761 1.796 3.483 . . . 1.0 . . . . . . . . . . . . F . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5129 . 7 1 9 ALA N N 9.051 0.684 5.290 . . . 1.0 . . . . . . . . . . . . F . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 5130 . 7 1 9 ALA O O 10.820 -0.326 7.476 . . . 1.0 . . . . . . . . . . . . F . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 5131 . 7 1 10 LEU C C 10.313 1.517 9.704 . . . 1.0 . . . . . . . . . . . . F . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 4 . 5132 . 7 1 10 LEU CA C 11.246 2.218 8.717 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 4 . 5133 . 7 1 10 LEU CB C 11.117 3.728 8.901 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 4 . 5134 . 7 1 10 LEU CD1 C 13.331 3.822 7.803 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 5135 . 7 1 10 LEU CD2 C 12.144 5.975 8.167 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5136 . 7 1 10 LEU CG C 12.400 4.558 8.713 . . . 1.0 . . . . . . . . . . . . F . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 4 . 5137 . 7 1 10 LEU H H 10.838 2.691 6.704 . . . 1.0 . . . . . . . . . . . . F . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 4 . 5138 . 7 1 10 LEU HA H 12.260 1.911 8.905 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 4 . 5139 . 7 1 10 LEU HB2 H 10.382 4.082 8.190 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5140 . 7 1 10 LEU HB3 H 10.738 3.907 9.896 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5141 . 7 1 10 LEU HD11 H 13.998 3.212 8.395 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 5142 . 7 1 10 LEU HD12 H 13.906 4.532 7.228 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 5143 . 7 1 10 LEU HD13 H 12.762 3.193 7.137 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 5144 . 7 1 10 LEU HD21 H 13.074 6.394 7.805 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 4 . 5145 . 7 1 10 LEU HD22 H 11.754 6.599 8.956 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 4 . 5146 . 7 1 10 LEU HD23 H 11.433 5.929 7.360 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 4 . 5147 . 7 1 10 LEU HG H 12.889 4.655 9.671 . . . 1.0 . . . . . . . . . . . . F . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 4 . 5148 . 7 1 10 LEU N N 10.921 1.930 7.319 . . . 1.0 . . . . . . . . . . . . F . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 4 . 5149 . 7 1 10 LEU O O 10.735 0.907 10.694 . . . 1.0 . . . . . . . . . . . . F . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 4 . 5150 . 7 1 11 ILE C C 6.991 0.287 9.309 . . . 1.0 . . . . . . . . . . . . F . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 4 . 5151 . 7 1 11 ILE CA C 7.969 1.031 10.218 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 4 . 5152 . 7 1 11 ILE CB C 7.166 2.074 11.078 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 4 . 5153 . 7 1 11 ILE CD1 C 7.286 4.507 11.900 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 4 . 5154 . 7 1 11 ILE CG1 C 8.054 3.226 11.586 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 4 . 5155 . 7 1 11 ILE CG2 C 6.517 1.386 12.279 . . . 1.0 . . . . . . . . . . . . F . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5156 . 7 1 11 ILE H H 8.842 2.051 8.527 . . . 1.0 . . . . . . . . . . . . F . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 4 . 5157 . 7 1 11 ILE HA H 8.426 0.315 10.891 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 4 . 5158 . 7 1 11 ILE HB H 6.376 2.480 10.464 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 4 . 5159 . 7 1 11 ILE HD11 H 6.506 4.297 12.620 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 4 . 5160 . 7 1 11 ILE HD12 H 6.841 4.896 10.996 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 4 . 5161 . 7 1 11 ILE HD13 H 7.961 5.242 12.312 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 4 . 5162 . 7 1 11 ILE HG12 H 8.550 2.915 12.493 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 4 . 5163 . 7 1 11 ILE HG13 H 8.795 3.460 10.838 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 4 . 5164 . 7 1 11 ILE HG21 H 7.284 0.940 12.899 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 4 . 5165 . 7 1 11 ILE HG22 H 5.842 0.617 11.936 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 4 . 5166 . 7 1 11 ILE HG23 H 5.969 2.115 12.857 . . . 1.0 . . . . . . . . . . . . F . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 4 . 5167 . 7 1 11 ILE N N 9.049 1.623 9.397 . . . 1.0 . . . . . . . . . . . . F . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 4 . 5168 . 8 4 1 . C1 C -11.832 -12.893 7.800 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5169 . 8 4 1 . C2 C -12.888 -13.981 7.878 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5170 . 8 4 1 . C3 C -12.794 -14.896 6.689 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5171 . 8 4 1 . C4 C -12.833 -14.047 5.392 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5172 . 8 4 1 . C5 C -11.820 -12.907 5.440 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5173 . 8 4 1 . C6 C -11.918 -11.982 4.226 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5174 . 8 4 1 . C7 C -11.701 -15.452 9.444 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5175 . 8 4 1 . C8 C -11.697 -16.204 10.764 . . . 1.0 . . . . . . . . . . . . C . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5176 . 8 4 1 . H1 H -10.776 -13.306 7.848 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5177 . 8 4 1 . H2 H -13.943 -13.724 8.066 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5178 . 8 4 1 . H3 H -11.843 -15.483 6.659 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5179 . 8 4 1 . H4 H -13.926 -13.836 5.250 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 4 . 5180 . 8 4 1 . H5 H -10.783 -13.251 5.409 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5181 . 8 4 1 . H61 H -12.844 -11.408 4.250 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5182 . 8 4 1 . H62 H -11.977 -12.613 3.328 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5183 . 8 4 1 . H81 H -12.512 -16.923 10.759 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5184 . 8 4 1 . H82 H -11.835 -15.520 11.578 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5185 . 8 4 1 . H83 H -10.742 -16.712 10.881 . . . 1.0 . . . . . . . . . . . . C . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5186 . 8 4 1 . HN2 H -13.511 -14.630 9.773 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5187 . 8 4 1 . HO3 H -13.818 -16.275 7.523 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 4 . 5188 . 8 4 1 . HO4 H -13.017 -15.714 4.366 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 4 . 5189 . 8 4 1 . HO6 H -10.355 -11.206 5.006 . . . 1.0 . . . . . . . . . . . . C . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5190 . 8 4 1 . N2 N -12.798 -14.761 9.141 . . . 1.0 . . . . . . . . . . . . C . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5191 . 8 4 1 . O3 O -13.880 -15.791 6.717 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5192 . 8 4 1 . O4 O -12.548 -14.881 4.283 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5193 . 8 4 1 . O5 O -12.013 -12.113 6.608 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5194 . 8 4 1 . O6 O -10.862 -11.038 4.197 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5195 . 8 4 1 . O7 O -10.779 -15.641 8.657 . . . 1.0 . . . . . . . . . . . . C . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5196 . 9 5 1 ALA C C -14.034 -12.632 11.102 . . . 1.0 . . . . . . . . . . . . C . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 5197 . 9 5 1 ALA CA C -12.848 -12.517 12.048 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 5198 . 9 5 1 ALA CB C -12.917 -11.193 12.802 . . . 1.0 . . . . . . . . . . . . C . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 5199 . 9 5 1 ALA H1 H -11.643 -12.840 10.310 . . . 1.0 . . . . . . . . . . . . C . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5200 . 9 5 1 ALA HA H -12.884 -13.317 12.789 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 5201 . 9 5 1 ALA HB1 H -12.044 -11.103 13.433 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5202 . 9 5 1 ALA HB2 H -13.823 -11.149 13.402 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5203 . 9 5 1 ALA HB3 H -12.925 -10.379 12.084 . . . 1.0 . . . . . . . . . . . . C . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5204 . 9 5 1 ALA N N -11.576 -12.582 11.270 . . . 1.0 . . . . . . . . . . . . C . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 5205 . 9 5 1 ALA O O -13.923 -12.402 9.895 . . . 1.0 . . . . . . . . . . . . C . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 5206 . 9 5 2 . C C -16.401 -11.878 9.735 . . . 1.0 . . . . . . . . . . . . C . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 4 . 5207 . 9 5 2 . CA C -16.330 -13.200 10.687 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5208 . 9 5 2 . CB C -16.268 -14.229 9.693 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5209 . 9 5 2 . CD C -17.845 -14.739 7.617 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 4 . 5210 . 9 5 2 . CG C -17.687 -14.812 9.157 . . . 1.0 . . . . . . . . . . . . C . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 4 . 5211 . 9 5 2 . H H -15.211 -13.462 12.579 . . . 1.0 . . . . . . . . . . . . C . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 4 . 5212 . 9 5 2 . HA H -17.165 -13.319 11.377 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5213 . 9 5 2 . HB2 H -15.726 -15.052 10.177 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5214 . 9 5 2 . HB3 H -15.686 -13.831 8.930 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5215 . 9 5 2 . HG2 H -18.482 -14.195 9.579 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5216 . 9 5 2 . HG3 H -17.890 -15.859 9.472 . . . 1.0 . . . . . . . . . . . . C . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5217 . 9 5 2 . N N -15.174 -13.175 11.687 . . . 1.0 . . . . . . . . . . . . C . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 4 . 5218 . 9 5 2 . O O -16.606 -10.806 10.191 . . . 1.0 . . . . . . . . . . . . C . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 4 . 5219 . 9 5 2 . OE1 O -18.333 -15.658 6.984 . . . 1.0 . . . . . . . . . . . . C . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 4 . 5220 . 9 5 3 LYS C C -18.946 -13.391 5.005 . . . 1.0 . . . . . . . . . . . . C . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 4 . 5221 . 9 5 3 LYS CA C -17.514 -13.369 5.600 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 4 . 5222 . 9 5 3 LYS CB C -16.405 -14.189 4.906 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 4 . 5223 . 9 5 3 LYS CD C -16.754 -13.353 2.393 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 4 . 5224 . 9 5 3 LYS CE C -16.787 -12.029 1.486 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 4 . 5225 . 9 5 3 LYS CG C -15.875 -13.375 3.707 . . . 1.0 . . . . . . . . . . . . C . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 4 . 5226 . 9 5 3 LYS H H -17.089 -12.906 7.587 . . . 1.0 . . . . . . . . . . . . C . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 4 . 5227 . 9 5 3 LYS HA H -17.201 -12.363 5.509 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 4 . 5228 . 9 5 3 LYS HB2 H -15.588 -14.345 5.613 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5229 . 9 5 3 LYS HB3 H -16.774 -15.137 4.559 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5230 . 9 5 3 LYS HD2 H -16.566 -14.255 1.801 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5231 . 9 5 3 LYS HD3 H -17.733 -13.417 2.766 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 5232 . 9 5 3 LYS HE2 H -16.198 -11.300 2.044 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 5233 . 9 5 3 LYS HE3 H -16.492 -12.477 0.538 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 4 . 5234 . 9 5 3 LYS HG2 H -15.696 -12.351 4.041 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5235 . 9 5 3 LYS HG3 H -14.898 -13.793 3.431 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5236 . 9 5 3 LYS HZ1 H -17.907 -10.189 1.082 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 4 . 5237 . 9 5 3 LYS HZ2 H -18.832 -11.464 1.547 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 4 . 5238 . 9 5 3 LYS HZ3 H -18.153 -11.481 0.021 . . . 1.0 . . . . . . . . . . . . C . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 4 . 5239 . 9 5 3 LYS N N -17.454 -13.611 7.036 . . . 1.0 . . . . . . . . . . . . C . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 4 . 5240 . 9 5 3 LYS NZ N -18.026 -11.230 0.985 . . . 1.0 . . . . . . . . . . . . C . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 4 . 5241 . 9 5 3 LYS O O -19.411 -14.395 4.406 . . . 1.0 . . . . . . . . . . . . C . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 4 . 5242 . 9 5 4 DAL C C -20.481 -10.618 3.618 . . . 1.0 . . . . . . . . . . . . C . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5243 . 9 5 4 DAL CA C -21.001 -11.637 4.878 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5244 . 9 5 4 DAL CB C -22.317 -12.770 4.759 . . . 1.0 . . . . . . . . . . . . C . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5245 . 9 5 4 DAL H H -19.094 -11.615 5.944 . . . 1.0 . . . . . . . . . . . . C . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5246 . 9 5 4 DAL HA H -21.605 -11.080 5.596 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5247 . 9 5 4 DAL HB1 H -22.024 -13.526 4.038 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5248 . 9 5 4 DAL HB2 H -23.224 -12.286 4.394 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5249 . 9 5 4 DAL HB3 H -22.546 -13.313 5.764 . . . 1.0 . . . . . . . . . . . . C . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5250 . 9 5 4 DAL N N -19.607 -12.190 5.324 . . . 1.0 . . . . . . . . . . . . C . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5251 . 9 5 4 DAL O O -20.200 -11.004 2.531 . . . 1.0 . . . . . . . . . . . . C . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 4 . 5252 . 9 5 5 DAL C C -18.566 -8.643 2.593 . . . 1.0 . . . . . . . . . . . . C . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5253 . 9 5 5 DAL CA C -19.998 -8.033 3.101 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5254 . 9 5 5 DAL CB C -21.188 -8.300 2.103 . . . 1.0 . . . . . . . . . . . . C . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5255 . 9 5 5 DAL H H -20.617 -9.086 4.970 . . . 1.0 . . . . . . . . . . . . C . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5256 . 9 5 5 DAL HA H -19.887 -6.990 3.396 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5257 . 9 5 5 DAL HB1 H -22.034 -8.550 2.660 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5258 . 9 5 5 DAL HB2 H -20.857 -9.095 1.471 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5259 . 9 5 5 DAL HB3 H -21.385 -7.407 1.497 . . . 1.0 . . . . . . . . . . . . C . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5260 . 9 5 5 DAL N N -20.414 -9.277 4.011 . . . 1.0 . . . . . . . . . . . . C . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5261 . 10 3 1 . C1 C 11.132 -2.032 -3.834 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5262 . 10 3 1 . C10 C 12.800 1.770 -6.586 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 4 . 5263 . 10 3 1 . C11 C 10.210 2.018 -5.809 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 4 . 5264 . 10 3 1 . C2 C 10.556 -1.023 -4.869 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5265 . 10 3 1 . C3 C 11.310 -1.224 -6.183 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5266 . 10 3 1 . C4 C 12.815 -1.473 -5.958 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5267 . 10 3 1 . C5 C 13.021 -2.750 -5.137 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5268 . 10 3 1 . C6 C 14.043 -2.529 -4.029 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5269 . 10 3 1 . C7 C 8.646 -2.024 -5.913 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5270 . 10 3 1 . C8 C 7.174 -2.133 -6.089 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5271 . 10 3 1 . C9 C 11.387 1.162 -6.447 . . . 1.0 . . . . . . . . . . . . D . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 4 . 5272 . 10 3 1 . H1 H 11.883 -1.521 -3.180 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5273 . 10 3 1 . H111 H 9.315 2.072 -6.469 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 4 . 5274 . 10 3 1 . H112 H 10.550 2.981 -5.642 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 4 . 5275 . 10 3 1 . H113 H 9.964 1.577 -4.838 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 4 . 5276 . 10 3 1 . H2 H 10.688 -0.068 -4.325 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5277 . 10 3 1 . H3 H 10.879 -2.013 -6.778 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5278 . 10 3 1 . H4A H 13.338 -0.564 -5.671 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 4 . 5279 . 10 3 1 . H5 H 13.369 -3.539 -5.681 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5280 . 10 3 1 . H61 H 14.385 -3.542 -3.725 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5281 . 10 3 1 . H62 H 13.650 -2.032 -3.087 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5282 . 10 3 1 . H81 H 6.796 -1.183 -6.445 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5283 . 10 3 1 . H82 H 6.725 -2.369 -5.150 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5284 . 10 3 1 . H83 H 6.972 -2.929 -6.798 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5285 . 10 3 1 . H9 H 11.869 0.654 -5.579 . . . 1.0 . . . . . . . . . . . . D . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 4 . 5286 . 10 3 1 . HN2 H 8.473 -0.586 -4.526 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5287 . 10 3 1 . HO6 H 15.522 -2.315 -5.362 . . . 1.0 . . . . . . . . . . . . D . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5288 . 10 3 1 . N2 N 9.122 -1.166 -5.031 . . . 1.0 . . . . . . . . . . . . D . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5289 . 10 3 1 . O1 O 10.143 -2.451 -2.997 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 4 . 5290 . 10 3 1 . O10 O 12.966 2.970 -6.373 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 4 . 5291 . 10 3 1 . O3 O 11.085 -0.092 -7.071 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5292 . 10 3 1 . O4 O 13.498 -1.552 -7.245 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5293 . 10 3 1 . O5 O 11.765 -3.120 -4.499 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5294 . 10 3 1 . O6 O 15.228 -1.925 -4.528 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5295 . 10 3 1 . O7 O 9.385 -2.758 -6.556 . . . 1.0 . . . . . . . . . . . . D . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5296 . 11 5 1 ALA C C 16.100 0.265 -7.562 . . . 1.0 . . . . . . . . . . . . D . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 5297 . 11 5 1 ALA CA C 15.216 1.428 -7.150 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 5298 . 11 5 1 ALA CB C 15.678 1.987 -5.810 . . . 1.0 . . . . . . . . . . . . D . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 5299 . 11 5 1 ALA H1 H 13.583 0.063 -7.374 . . . 1.0 . . . . . . . . . . . . D . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5300 . 11 5 1 ALA HA H 15.298 2.232 -7.883 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 5301 . 11 5 1 ALA HB1 H 14.974 2.742 -5.485 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5302 . 11 5 1 ALA HB2 H 16.673 2.415 -5.902 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5303 . 11 5 1 ALA HB3 H 15.701 1.184 -5.080 . . . 1.0 . . . . . . . . . . . . D . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5304 . 11 5 1 ALA N N 13.801 0.977 -7.036 . . . 1.0 . . . . . . . . . . . . D . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 5305 . 11 5 1 ALA O O 15.855 -0.414 -8.563 . . . 1.0 . . . . . . . . . . . . D . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 5306 . 11 5 2 . C C 17.223 -2.331 -7.714 . . . 1.0 . . . . . . . . . . . . D . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 4 . 5307 . 11 5 2 . CA C 18.082 -1.057 -7.260 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5308 . 11 5 2 . CB C 18.860 -0.896 -8.453 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5309 . 11 5 2 . CD C 18.070 -0.490 -10.949 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 4 . 5310 . 11 5 2 . CG C 18.292 0.146 -9.553 . . . 1.0 . . . . . . . . . . . . D . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 4 . 5311 . 11 5 2 . H H 17.504 0.754 -6.136 . . . 1.0 . . . . . . . . . . . . D . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 4 . 5312 . 11 5 2 . HA H 18.631 -1.204 -6.330 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5313 . 11 5 2 . HB2 H 18.905 -1.890 -8.901 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5314 . 11 5 2 . HB3 H 19.812 -0.628 -8.099 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5315 . 11 5 2 . HG2 H 19.033 0.936 -9.686 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5316 . 11 5 2 . HG3 H 17.345 0.644 -9.249 . . . 1.0 . . . . . . . . . . . . D . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5317 . 11 5 2 . N N 17.313 0.168 -6.876 . . . 1.0 . . . . . . . . . . . . D . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 4 . 5318 . 11 5 2 . O O 17.435 -2.786 -8.886 . . . 1.0 . . . . . . . . . . . . D . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 4 . 5319 . 11 5 2 . OE1 O 18.887 -0.359 -11.842 . . . 1.0 . . . . . . . . . . . . D . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 4 . 5320 . 11 5 3 LYS C C 17.396 -3.148 -12.676 . . . 1.0 . . . . . . . . . . . . D . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 4 . 5321 . 11 5 3 LYS CA C 16.584 -1.866 -12.349 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 4 . 5322 . 11 5 3 LYS CB C 16.412 -0.797 -13.447 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 4 . 5323 . 11 5 3 LYS CD C 15.268 -1.983 -15.549 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 4 . 5324 . 11 5 3 LYS CE C 15.179 -3.582 -15.449 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 4 . 5325 . 11 5 3 LYS CG C 15.125 -1.112 -14.236 . . . 1.0 . . . . . . . . . . . . D . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 4 . 5326 . 11 5 3 LYS H H 16.359 -1.300 -10.353 . . . 1.0 . . . . . . . . . . . . D . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 4 . 5327 . 11 5 3 LYS HA H 15.604 -2.212 -12.154 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 4 . 5328 . 11 5 3 LYS HB2 H 16.302 0.181 -12.973 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5329 . 11 5 3 LYS HB3 H 17.250 -0.785 -14.120 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5330 . 11 5 3 LYS HD2 H 14.625 -1.580 -16.337 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5331 . 11 5 3 LYS HD3 H 16.264 -1.811 -15.834 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 5332 . 11 5 3 LYS HE2 H 15.389 -3.932 -16.460 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 5333 . 11 5 3 LYS HE3 H 15.834 -3.725 -14.589 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 4 . 5334 . 11 5 3 LYS HG2 H 14.417 -1.592 -13.559 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5335 . 11 5 3 LYS HG3 H 14.678 -0.154 -14.536 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5336 . 11 5 3 LYS HZ1 H 14.050 -4.728 -13.956 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 4 . 5337 . 11 5 3 LYS HZ2 H 13.914 -5.378 -15.537 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 4 . 5338 . 11 5 3 LYS HZ3 H 13.151 -3.915 -15.137 . . . 1.0 . . . . . . . . . . . . D . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 4 . 5339 . 11 5 3 LYS N N 16.965 -1.211 -11.103 . . . 1.0 . . . . . . . . . . . . D . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 4 . 5340 . 11 5 3 LYS NZ N 13.982 -4.457 -14.972 . . . 1.0 . . . . . . . . . . . . D . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 4 . 5341 . 11 5 3 LYS O O 17.843 -3.387 -13.828 . . . 1.0 . . . . . . . . . . . . D . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 4 . 5342 . 11 5 4 DAL C C 16.920 -6.254 -11.821 . . . 1.0 . . . . . . . . . . . . D . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5343 . 11 5 4 DAL CA C 18.224 -5.305 -11.269 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5344 . 11 5 4 DAL CB C 19.891 -5.526 -11.719 . . . 1.0 . . . . . . . . . . . . D . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5345 . 11 5 4 DAL H H 17.290 -3.423 -10.684 . . . 1.0 . . . . . . . . . . . . D . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5346 . 11 5 4 DAL HA H 18.515 -5.608 -10.262 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5347 . 11 5 4 DAL HB1 H 19.963 -5.329 -12.785 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5348 . 11 5 4 DAL HB2 H 20.220 -6.550 -11.541 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5349 . 11 5 4 DAL HB3 H 20.609 -4.788 -11.178 . . . 1.0 . . . . . . . . . . . . D . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5350 . 11 5 4 DAL N N 17.594 -3.893 -11.499 . . . 1.0 . . . . . . . . . . . . D . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5351 . 11 5 4 DAL O O 16.927 -6.847 -12.861 . . . 1.0 . . . . . . . . . . . . D . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 4 . 5352 . 11 5 5 DAL C C 13.995 -6.566 -12.627 . . . 1.0 . . . . . . . . . . . . D . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5353 . 11 5 5 DAL CA C 14.529 -7.037 -11.169 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5354 . 11 5 5 DAL CB C 15.089 -8.519 -11.100 . . . 1.0 . . . . . . . . . . . . D . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5355 . 11 5 5 DAL H H 15.898 -5.685 -10.125 . . . 1.0 . . . . . . . . . . . . D . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5356 . 11 5 5 DAL HA H 13.682 -6.900 -10.496 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5357 . 11 5 5 DAL HB1 H 15.894 -8.465 -11.750 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5358 . 11 5 5 DAL HB2 H 14.301 -9.165 -11.488 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5359 . 11 5 5 DAL HB3 H 15.377 -8.826 -10.109 . . . 1.0 . . . . . . . . . . . . D . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5360 . 11 5 5 DAL N N 15.836 -6.264 -10.922 . . . 1.0 . . . . . . . . . . . . D . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5361 . 12 4 1 . C1 C 12.807 -2.335 -8.230 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5362 . 12 4 1 . C2 C 13.533 -2.246 -9.545 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5363 . 12 4 1 . C3 C 12.788 -3.056 -10.598 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5364 . 12 4 1 . C4 C 12.516 -4.477 -10.066 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5365 . 12 4 1 . C5 C 11.873 -4.440 -8.686 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5366 . 12 4 1 . C6 C 11.673 -5.833 -8.090 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5367 . 12 4 1 . C7 C 12.564 -0.096 -10.197 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5368 . 12 4 1 . C8 C 12.774 1.346 -10.600 . . . 1.0 . . . . . . . . . . . . D . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5369 . 12 4 1 . H1 H 11.800 -1.828 -8.288 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5370 . 12 4 1 . H2 H 14.616 -2.470 -9.576 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5371 . 12 4 1 . H3 H 11.794 -2.611 -10.856 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5372 . 12 4 1 . H4 H 13.489 -5.011 -10.233 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 4 . 5373 . 12 4 1 . H5 H 10.863 -4.021 -8.697 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5374 . 12 4 1 . H61 H 12.579 -6.436 -8.196 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5375 . 12 4 1 . H62 H 10.905 -6.349 -8.682 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5376 . 12 4 1 . H81 H 11.806 1.800 -10.800 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5377 . 12 4 1 . H82 H 13.374 1.399 -11.487 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5378 . 12 4 1 . H83 H 13.280 1.872 -9.793 . . . 1.0 . . . . . . . . . . . . D . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5379 . 12 4 1 . HN2 H 14.531 -0.461 -9.942 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5380 . 12 4 1 . HO3 H 13.516 -3.987 -12.096 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 4 . 5381 . 12 4 1 . HO4 H 12.109 -5.326 -11.794 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 4 . 5382 . 12 4 1 . HO6 H 11.515 -4.851 -6.468 . . . 1.0 . . . . . . . . . . . . D . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5383 . 12 4 1 . N2 N 13.643 -0.860 -9.959 . . . 1.0 . . . . . . . . . . . . D . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5384 . 12 4 1 . O3 O 13.580 -3.106 -11.762 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5385 . 12 4 1 . O4 O 11.654 -5.151 -10.966 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5386 . 12 4 1 . O5 O 12.678 -3.684 -7.776 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5387 . 12 4 1 . O6 O 11.390 -5.781 -6.704 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5388 . 12 4 1 . O7 O 11.423 -0.561 -10.235 . . . 1.0 . . . . . . . . . . . . D . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5389 . 13 5 1 ALA C C -13.867 -1.830 -6.832 . . . 1.0 . . . . . . . . . . . . G . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 5390 . 13 5 1 ALA CA C -12.380 -2.105 -7.009 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 5391 . 13 5 1 ALA CB C -11.890 -3.019 -5.893 . . . 1.0 . . . . . . . . . . . . G . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 5392 . 13 5 1 ALA H1 H -12.129 0.023 -6.999 . . . 1.0 . . . . . . . . . . . . G . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5393 . 13 5 1 ALA HA H -12.208 -2.627 -7.952 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 5394 . 13 5 1 ALA HB1 H -12.421 -3.960 -5.952 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5395 . 13 5 1 ALA HB2 H -12.052 -2.553 -4.925 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5396 . 13 5 1 ALA HB3 H -10.829 -3.201 -6.030 . . . 1.0 . . . . . . . . . . . . G . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5397 . 13 5 1 ALA N N -11.608 -0.830 -6.972 . . . 1.0 . . . . . . . . . . . . G . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 5398 . 13 5 1 ALA O O -14.358 -0.727 -7.101 . . . 1.0 . . . . . . . . . . . . G . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 5399 . 13 5 2 . C C -16.410 -1.160 -5.715 . . . 1.0 . . . . . . . . . . . . G . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 4 . 5400 . 13 5 2 . CA C -16.077 -2.599 -6.296 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5401 . 13 5 2 . CB C -16.873 -2.471 -7.496 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5402 . 13 5 2 . CD C -17.382 -0.568 -9.250 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 4 . 5403 . 13 5 2 . CG C -16.300 -1.500 -8.648 . . . 1.0 . . . . . . . . . . . . G . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 4 . 5404 . 13 5 2 . H H -14.240 -3.820 -6.430 . . . 1.0 . . . . . . . . . . . . G . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 4 . 5405 . 13 5 2 . HA H -16.276 -3.401 -5.585 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5406 . 13 5 2 . HB2 H -17.829 -2.099 -7.148 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5407 . 13 5 2 . HB3 H -16.985 -3.468 -7.828 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5408 . 13 5 2 . HG2 H -15.932 -2.118 -9.469 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5409 . 13 5 2 . HG3 H -15.448 -0.866 -8.317 . . . 1.0 . . . . . . . . . . . . G . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5410 . 13 5 2 . N N -14.669 -2.947 -6.607 . . . 1.0 . . . . . . . . . . . . G . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 4 . 5411 . 13 5 2 . O O -17.400 -0.521 -6.151 . . . 1.0 . . . . . . . . . . . . G . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 4 . 5412 . 13 5 2 . OE1 O -17.459 -0.378 -10.451 . . . 1.0 . . . . . . . . . . . . G . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 4 . 5413 . 13 5 3 LYS C C -20.541 0.205 -9.409 . . . 1.0 . . . . . . . . . . . . G . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 4 . 5414 . 13 5 3 LYS CA C -19.304 0.894 -8.775 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 4 . 5415 . 13 5 3 LYS CB C -18.688 2.118 -9.484 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 4 . 5416 . 13 5 3 LYS CD C -19.870 3.705 -7.690 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 4 . 5417 . 13 5 3 LYS CE C -19.897 3.660 -6.087 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 4 . 5418 . 13 5 3 LYS CG C -18.560 3.262 -8.458 . . . 1.0 . . . . . . . . . . . . G . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 4 . 5419 . 13 5 3 LYS H H -18.139 -0.218 -7.451 . . . 1.0 . . . . . . . . . . . . G . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 4 . 5420 . 13 5 3 LYS HA H -19.650 1.267 -7.848 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 4 . 5421 . 13 5 3 LYS HB2 H -17.691 1.853 -9.842 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5422 . 13 5 3 LYS HB3 H -19.297 2.443 -10.308 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5423 . 13 5 3 LYS HD2 H -20.229 4.661 -8.084 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5424 . 13 5 3 LYS HD3 H -20.562 2.967 -7.969 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 5425 . 13 5 3 LYS HE2 H -18.987 4.176 -5.781 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 5426 . 13 5 3 LYS HE3 H -20.909 4.035 -5.934 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 4 . 5427 . 13 5 3 LYS HG2 H -17.789 2.989 -7.734 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5428 . 13 5 3 LYS HG3 H -18.189 4.146 -8.994 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5429 . 13 5 3 LYS HZ1 H -19.543 1.552 -5.586 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 4 . 5430 . 13 5 3 LYS HZ2 H -20.939 2.178 -4.984 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 4 . 5431 . 13 5 3 LYS HZ3 H -19.489 2.662 -4.311 . . . 1.0 . . . . . . . . . . . . G . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 4 . 5432 . 13 5 3 LYS N N -18.234 -0.020 -8.393 . . . 1.0 . . . . . . . . . . . . G . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 4 . 5433 . 13 5 3 LYS NZ N -19.972 2.414 -5.155 . . . 1.0 . . . . . . . . . . . . G . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 4 . 5434 . 13 5 3 LYS O O -20.439 -0.681 -10.296 . . . 1.0 . . . . . . . . . . . . G . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 4 . 5435 . 13 5 4 DAL C C -23.891 1.145 -7.709 . . . 1.0 . . . . . . . . . . . . G . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5436 . 13 5 4 DAL CA C -23.222 0.407 -9.090 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5437 . 13 5 4 DAL CB C -23.758 0.661 -10.726 . . . 1.0 . . . . . . . . . . . . G . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5438 . 13 5 4 DAL H H -21.530 1.243 -7.994 . . . 1.0 . . . . . . . . . . . . G . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5439 . 13 5 4 DAL HA H -23.586 -0.616 -9.187 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5440 . 13 5 4 DAL HB1 H -23.167 0.008 -11.361 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5441 . 13 5 4 DAL HB2 H -23.589 1.690 -11.046 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5442 . 13 5 4 DAL HB3 H -24.877 0.386 -10.884 . . . 1.0 . . . . . . . . . . . . G . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5443 . 13 5 4 DAL N N -21.711 0.667 -8.778 . . . 1.0 . . . . . . . . . . . . G . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5444 . 13 5 4 DAL O O -24.169 2.309 -7.648 . . . 1.0 . . . . . . . . . . . . G . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 4 . 5445 . 13 5 5 DAL C C -23.753 1.846 -4.698 . . . 1.0 . . . . . . . . . . . . G . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5446 . 13 5 5 DAL CA C -24.676 0.648 -5.272 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5447 . 13 5 5 DAL CB C -26.130 1.089 -5.723 . . . 1.0 . . . . . . . . . . . . G . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5448 . 13 5 5 DAL H H -23.758 -0.682 -6.766 . . . 1.0 . . . . . . . . . . . . G . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5449 . 13 5 5 DAL HA H -24.709 -0.092 -4.472 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5450 . 13 5 5 DAL HB1 H -25.909 1.651 -6.576 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5451 . 13 5 5 DAL HB2 H -26.527 1.710 -4.930 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5452 . 13 5 5 DAL HB3 H -26.783 0.266 -5.943 . . . 1.0 . . . . . . . . . . . . G . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5453 . 13 5 5 DAL N N -24.085 0.237 -6.647 . . . 1.0 . . . . . . . . . . . . G . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5454 . 14 3 1 . C1 C -10.773 2.950 -3.788 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5455 . 14 3 1 . C10 C -10.254 -0.780 -6.997 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 4 . 5456 . 14 3 1 . C11 C -8.014 0.685 -6.523 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 4 . 5457 . 14 3 1 . C2 C -9.957 2.755 -5.084 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5458 . 14 3 1 . C3 C -10.953 2.399 -6.189 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5459 . 14 3 1 . C4 C -12.150 1.548 -5.745 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5460 . 14 3 1 . C5 C -12.912 2.211 -4.594 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5461 . 14 3 1 . C6 C -13.102 1.225 -3.443 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5462 . 14 3 1 . C7 C -9.679 4.870 -6.169 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5463 . 14 3 1 . C8 C -8.844 6.046 -6.527 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5464 . 14 3 1 . C9 C -9.559 0.593 -6.888 . . . 1.0 . . . . . . . . . . . . G . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 4 . 5465 . 14 3 1 . H1 H -10.816 1.958 -3.241 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5466 . 14 3 1 . H111 H -7.841 0.923 -5.448 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 4 . 5467 . 14 3 1 . H112 H -7.579 1.428 -7.095 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 4 . 5468 . 14 3 1 . H113 H -7.546 -0.265 -6.801 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 4 . 5469 . 14 3 1 . H2 H -9.225 2.001 -4.727 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5470 . 14 3 1 . H3 H -11.349 3.296 -6.652 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5471 . 14 3 1 . H4A H -11.860 0.500 -5.652 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 4 . 5472 . 14 3 1 . H5 H -13.851 2.561 -4.848 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5473 . 14 3 1 . H61 H -14.120 1.409 -3.020 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5474 . 14 3 1 . H62 H -12.359 1.327 -2.591 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5475 . 14 3 1 . H81 H -9.376 6.643 -7.257 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5476 . 14 3 1 . H82 H -7.923 5.708 -6.947 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5477 . 14 3 1 . H83 H -8.641 6.612 -5.625 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5478 . 14 3 1 . H9 H -10.082 0.570 -5.905 . . . 1.0 . . . . . . . . . . . . G . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 4 . 5479 . 14 3 1 . HN2 H -8.178 3.956 -5.190 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5480 . 14 3 1 . HO6 H -14.039 -0.378 -4.304 . . . 1.0 . . . . . . . . . . . . G . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5481 . 14 3 1 . N2 N -9.162 3.919 -5.408 . . . 1.0 . . . . . . . . . . . . G . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5482 . 14 3 1 . O1 O -10.164 3.885 -3.014 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 4 . 5483 . 14 3 1 . O10 O -9.572 -1.785 -7.178 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 4 . 5484 . 14 3 1 . O3 O -10.255 1.776 -7.297 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5485 . 14 3 1 . O4 O -13.018 1.303 -6.894 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5486 . 14 3 1 . O5 O -12.115 3.318 -4.086 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5487 . 14 3 1 . O6 O -13.194 -0.111 -3.915 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5488 . 14 3 1 . O7 O -10.872 4.869 -6.461 . . . 1.0 . . . . . . . . . . . . G . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5489 . 15 5 1 ALA C C 19.493 6.315 4.995 . . . 1.0 . . . . . . . . . . . . H . 1 ALA C . . . . . . . . . c50202_6yfy 1 . 4 . 5490 . 15 5 1 ALA CA C 19.047 7.146 6.189 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CA . . . . . . . . . c50202_6yfy 1 . 4 . 5491 . 15 5 1 ALA CB C 18.748 6.228 7.370 . . . 1.0 . . . . . . . . . . . . H . 1 ALA CB . . . . . . . . . c50202_6yfy 1 . 4 . 5492 . 15 5 1 ALA H1 H 17.541 7.931 4.887 . . . 1.0 . . . . . . . . . . . . H . 1 ALA H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5493 . 15 5 1 ALA HA H 19.850 7.819 6.499 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HA . . . . . . . . . c50202_6yfy 1 . 4 . 5494 . 15 5 1 ALA HB1 H 18.325 6.815 8.173 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5495 . 15 5 1 ALA HB2 H 19.656 5.732 7.702 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5496 . 15 5 1 ALA HB3 H 18.027 5.478 7.057 . . . 1.0 . . . . . . . . . . . . H . 1 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5497 . 15 5 1 ALA N N 17.822 7.922 5.846 . . . 1.0 . . . . . . . . . . . . H . 1 ALA N . . . . . . . . . c50202_6yfy 1 . 4 . 5498 . 15 5 1 ALA O O 19.426 6.752 3.841 . . . 1.0 . . . . . . . . . . . . H . 1 ALA O . . . . . . . . . c50202_6yfy 1 . 4 . 5499 . 15 5 2 . C C 19.529 4.442 2.837 . . . 1.0 . . . . . . . . . . . . H . 2 DGL C . . . . . . . . . c50202_6yfy 1 . 4 . 5500 . 15 5 2 . CA C 20.481 4.317 4.098 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5501 . 15 5 2 . CB C 21.698 4.717 3.426 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5502 . 15 5 2 . CD C 22.574 6.876 2.188 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CD . . . . . . . . . c50202_6yfy 1 . 4 . 5503 . 15 5 2 . CG C 22.110 6.271 3.538 . . . 1.0 . . . . . . . . . . . . H . 2 DGL CG . . . . . . . . . c50202_6yfy 1 . 4 . 5504 . 15 5 2 . H H 20.273 4.860 6.231 . . . 1.0 . . . . . . . . . . . . H . 2 DGL H . . . . . . . . . c50202_6yfy 1 . 4 . 5505 . 15 5 2 . HA H 20.420 3.342 4.580 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5506 . 15 5 2 . HB2 H 21.533 4.458 2.386 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5507 . 15 5 2 . HB3 H 22.433 4.076 3.835 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5508 . 15 5 2 . HG2 H 22.955 6.356 4.221 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5509 . 15 5 2 . HG3 H 21.303 6.919 3.943 . . . 1.0 . . . . . . . . . . . . H . 2 DGL HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5510 . 15 5 2 . N N 20.209 5.157 5.290 . . . 1.0 . . . . . . . . . . . . H . 2 DGL N . . . . . . . . . c50202_6yfy 1 . 4 . 5511 . 15 5 2 . O O 18.296 4.130 2.999 . . . 1.0 . . . . . . . . . . . . H . 2 DGL O . . . . . . . . . c50202_6yfy 1 . 4 . 5512 . 15 5 2 . OE1 O 23.518 7.644 2.128 . . . 1.0 . . . . . . . . . . . . H . 2 DGL OE1 . . . . . . . . . c50202_6yfy 1 . 4 . 5513 . 15 5 3 LYS C C 23.619 6.622 -0.756 . . . 1.0 . . . . . . . . . . . . H . 3 LYS C . . . . . . . . . c50202_6yfy 1 . 4 . 5514 . 15 5 3 LYS CA C 22.195 6.964 -0.241 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CA . . . . . . . . . c50202_6yfy 1 . 4 . 5515 . 15 5 3 LYS CB C 21.680 8.411 -0.381 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CB . . . . . . . . . c50202_6yfy 1 . 4 . 5516 . 15 5 3 LYS CD C 21.958 9.856 -2.610 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CD . . . . . . . . . c50202_6yfy 1 . 4 . 5517 . 15 5 3 LYS CE C 23.521 9.784 -2.967 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CE . . . . . . . . . c50202_6yfy 1 . 4 . 5518 . 15 5 3 LYS CG C 21.279 8.646 -1.850 . . . 1.0 . . . . . . . . . . . . H . 3 LYS CG . . . . . . . . . c50202_6yfy 1 . 4 . 5519 . 15 5 3 LYS H H 21.179 5.863 1.209 . . . 1.0 . . . . . . . . . . . . H . 3 LYS H . . . . . . . . . c50202_6yfy 1 . 4 . 5520 . 15 5 3 LYS HA H 21.546 6.388 -0.846 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HA . . . . . . . . . c50202_6yfy 1 . 4 . 5521 . 15 5 3 LYS HB2 H 20.796 8.533 0.249 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5522 . 15 5 3 LYS HB3 H 22.432 9.125 -0.096 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5523 . 15 5 3 LYS HD2 H 21.348 10.149 -3.470 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD2 . . . . . . . . . c50202_6yfy 1 . 4 . 5524 . 15 5 3 LYS HD3 H 21.904 10.632 -1.905 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HD3 . . . . . . . . . c50202_6yfy 1 . 4 . 5525 . 15 5 3 LYS HE2 H 23.677 10.593 -3.680 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE2 . . . . . . . . . c50202_6yfy 1 . 4 . 5526 . 15 5 3 LYS HE3 H 23.917 9.762 -1.952 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HE3 . . . . . . . . . c50202_6yfy 1 . 4 . 5527 . 15 5 3 LYS HG2 H 21.456 7.723 -2.407 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG2 . . . . . . . . . c50202_6yfy 1 . 4 . 5528 . 15 5 3 LYS HG3 H 20.194 8.825 -1.873 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HG3 . . . . . . . . . c50202_6yfy 1 . 4 . 5529 . 15 5 3 LYS HZ1 H 25.032 8.879 -4.277 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ1 . . . . . . . . . c50202_6yfy 1 . 4 . 5530 . 15 5 3 LYS HZ2 H 23.673 7.863 -4.028 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ2 . . . . . . . . . c50202_6yfy 1 . 4 . 5531 . 15 5 3 LYS HZ3 H 24.782 8.143 -2.775 . . . 1.0 . . . . . . . . . . . . H . 3 LYS HZ3 . . . . . . . . . c50202_6yfy 1 . 4 . 5532 . 15 5 3 LYS N N 21.911 6.488 1.107 . . . 1.0 . . . . . . . . . . . . H . 3 LYS N . . . . . . . . . c50202_6yfy 1 . 4 . 5533 . 15 5 3 LYS NZ N 24.324 8.585 -3.552 . . . 1.0 . . . . . . . . . . . . H . 3 LYS NZ . . . . . . . . . c50202_6yfy 1 . 4 . 5534 . 15 5 3 LYS O O 24.467 7.510 -1.029 . . . 1.0 . . . . . . . . . . . . H . 3 LYS O . . . . . . . . . c50202_6yfy 1 . 4 . 5535 . 15 5 4 DAL C C 25.043 4.952 -2.885 . . . 1.0 . . . . . . . . . . . . H . 4 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5536 . 15 5 4 DAL CA C 24.964 4.338 -1.299 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5537 . 15 5 4 DAL CB C 26.328 4.093 -0.246 . . . 1.0 . . . . . . . . . . . . H . 4 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5538 . 15 5 4 DAL H H 23.040 4.736 -0.353 . . . 1.0 . . . . . . . . . . . . H . 4 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5539 . 15 5 4 DAL HA H 24.853 3.254 -1.318 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5540 . 15 5 4 DAL HB1 H 26.748 5.072 -0.032 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5541 . 15 5 4 DAL HB2 H 27.101 3.492 -0.726 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5542 . 15 5 4 DAL HB3 H 26.035 3.607 0.770 . . . 1.0 . . . . . . . . . . . . H . 4 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5543 . 15 5 4 DAL N N 23.792 5.226 -0.767 . . . 1.0 . . . . . . . . . . . . H . 4 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5544 . 15 5 4 DAL O O 25.774 5.842 -3.216 . . . 1.0 . . . . . . . . . . . . H . 4 DAL O . . . . . . . . . c50202_6yfy 1 . 4 . 5545 . 15 5 5 DAL C C 23.826 6.267 -5.339 . . . 1.0 . . . . . . . . . . . . H . 5 DAL C . . . . . . . . . c50202_6yfy 1 . 4 . 5546 . 15 5 5 DAL CA C 24.023 4.661 -5.264 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CA . . . . . . . . . c50202_6yfy 1 . 4 . 5547 . 15 5 5 DAL CB C 25.423 4.134 -5.792 . . . 1.0 . . . . . . . . . . . . H . 5 DAL CB . . . . . . . . . c50202_6yfy 1 . 4 . 5548 . 15 5 5 DAL H H 23.545 3.630 -3.385 . . . 1.0 . . . . . . . . . . . . H . 5 DAL H . . . . . . . . . c50202_6yfy 1 . 4 . 5549 . 15 5 5 DAL HA H 23.196 4.246 -5.839 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HA . . . . . . . . . c50202_6yfy 1 . 4 . 5550 . 15 5 5 DAL HB1 H 26.067 4.514 -5.066 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB1 . . . . . . . . . c50202_6yfy 1 . 4 . 5551 . 15 5 5 DAL HB2 H 25.587 4.603 -6.757 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB2 . . . . . . . . . c50202_6yfy 1 . 4 . 5552 . 15 5 5 DAL HB3 H 25.482 3.063 -5.866 . . . 1.0 . . . . . . . . . . . . H . 5 DAL HB3 . . . . . . . . . c50202_6yfy 1 . 4 . 5553 . 15 5 5 DAL N N 24.158 4.299 -3.767 . . . 1.0 . . . . . . . . . . . . H . 5 DAL N . . . . . . . . . c50202_6yfy 1 . 4 . 5554 . 16 4 1 . C1 C -13.475 2.490 -7.556 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5555 . 16 4 1 . C2 C -14.277 2.121 -8.780 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5556 . 16 4 1 . C3 C -14.684 3.392 -9.511 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5557 . 16 4 1 . C4 C -15.385 4.353 -8.528 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5558 . 16 4 1 . C5 C -14.560 4.560 -7.264 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5559 . 16 4 1 . C6 C -15.279 5.413 -6.220 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5560 . 16 4 1 . C7 C -12.260 1.559 -10.055 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5561 . 16 4 1 . C8 C -11.530 0.584 -10.954 . . . 1.0 . . . . . . . . . . . . G . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5562 . 16 4 1 . H1 H -12.507 3.003 -7.829 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5563 . 16 4 1 . H2 H -15.145 1.444 -8.631 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5564 . 16 4 1 . H3 H -13.808 3.942 -9.938 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5565 . 16 4 1 . H4 H -16.427 3.942 -8.471 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 4 . 5566 . 16 4 1 . H5 H -13.631 5.110 -7.440 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5567 . 16 4 1 . H61 H -16.085 4.852 -5.740 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5568 . 16 4 1 . H62 H -15.760 6.248 -6.743 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5569 . 16 4 1 . H81 H -12.101 0.452 -11.869 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5570 . 16 4 1 . H82 H -11.429 -0.365 -10.465 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5571 . 16 4 1 . H83 H -10.540 0.978 -11.178 . . . 1.0 . . . . . . . . . . . . G . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5572 . 16 4 1 . HN2 H -13.887 0.381 -9.859 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5573 . 16 4 1 . HO3 H -16.123 2.365 -10.239 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 4 . 5574 . 16 4 1 . HO4 H -15.950 5.461 -10.043 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 4 . 5575 . 16 4 1 . HO6 H -13.844 5.053 -5.020 . . . 1.0 . . . . . . . . . . . . G . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5576 . 16 4 1 . N2 N -13.509 1.255 -9.664 . . . 1.0 . . . . . . . . . . . . G . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5577 . 16 4 1 . O3 O -15.551 3.041 -10.565 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5578 . 16 4 1 . O4 O -15.585 5.603 -9.167 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5579 . 16 4 1 . O5 O -14.246 3.297 -6.660 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5580 . 16 4 1 . O6 O -14.409 5.823 -5.180 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5581 . 16 4 1 . O7 O -11.746 2.657 -9.833 . . . 1.0 . . . . . . . . . . . . G . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5582 . 17 6 1 . O1P O -9.771 -6.568 9.970 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5583 . 17 6 1 . O2P O -7.333 -5.922 9.761 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5584 . 17 6 1 . O3P O -8.905 -5.637 7.805 . . . 1.0 . . . . . . . . . . . . A . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5585 . 17 6 1 . P P -8.546 -6.518 9.132 . . . 1.0 . . . . . . . . . . . . A . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5586 . 18 3 1 . C1 C 12.901 6.581 5.251 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5587 . 18 3 1 . C10 C 17.136 8.678 6.738 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C10 . . . . . . . . . c50202_6yfy 1 . 4 . 5588 . 18 3 1 . C11 C 15.027 10.299 7.278 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C11 . . . . . . . . . c50202_6yfy 1 . 4 . 5589 . 18 3 1 . C2 C 13.497 7.994 5.492 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5590 . 18 3 1 . C3 C 14.687 8.158 4.547 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5591 . 18 3 1 . C4 C 15.611 6.924 4.497 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5592 . 18 3 1 . C5 C 14.822 5.690 4.067 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5593 . 18 3 1 . C6 C 15.006 4.578 5.090 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5594 . 18 3 1 . C7 C 12.310 9.528 4.089 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5595 . 18 3 1 . C8 C 11.311 10.611 3.904 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5596 . 18 3 1 . C9 C 15.832 9.371 6.273 . . . 1.0 . . . . . . . . . . . . H . 101 MUB C9 . . . . . . . . . c50202_6yfy 1 . 4 . 5597 . 18 3 1 . H1 H 13.211 5.899 6.093 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5598 . 18 3 1 . H111 H 14.986 11.360 6.943 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H111 . . . . . . . . . c50202_6yfy 1 . 4 . 5599 . 18 3 1 . H112 H 15.486 10.266 8.205 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H112 . . . . . . . . . c50202_6yfy 1 . 4 . 5600 . 18 3 1 . H113 H 14.023 9.878 7.388 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H113 . . . . . . . . . c50202_6yfy 1 . 4 . 5601 . 18 3 1 . H2 H 13.687 7.967 6.587 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5602 . 18 3 1 . H3 H 14.373 8.411 3.544 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5603 . 18 3 1 . H4A H 16.295 6.849 5.338 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H4A . . . . . . . . . c50202_6yfy 1 . 4 . 5604 . 18 3 1 . H5 H 15.141 5.315 3.128 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5605 . 18 3 1 . H61 H 15.866 3.985 4.697 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5606 . 18 3 1 . H62 H 14.156 3.839 5.202 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5607 . 18 3 1 . H81 H 11.595 11.454 4.521 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5608 . 18 3 1 . H82 H 10.348 10.256 4.201 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5609 . 18 3 1 . H83 H 11.292 10.880 2.853 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5610 . 18 3 1 . H9 H 15.423 8.348 6.440 . . . 1.0 . . . . . . . . . . . . H . 101 MUB H9 . . . . . . . . . c50202_6yfy 1 . 4 . 5611 . 18 3 1 . HN2 H 12.015 9.446 6.075 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5612 . 18 3 1 . HO6 H 15.847 4.411 6.925 . . . 1.0 . . . . . . . . . . . . H . 101 MUB HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5613 . 18 3 1 . N2 N 12.503 9.030 5.300 . . . 1.0 . . . . . . . . . . . . H . 101 MUB N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5614 . 18 3 1 . O1 O 11.539 6.668 5.212 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O1 . . . . . . . . . c50202_6yfy 1 . 4 . 5615 . 18 3 1 . O10 O 17.541 8.853 7.886 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O10 . . . . . . . . . c50202_6yfy 1 . 4 . 5616 . 18 3 1 . O3 O 15.451 9.347 4.892 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5617 . 18 3 1 . O4 O 16.717 7.210 3.583 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5618 . 18 3 1 . O5 O 13.405 6.026 4.031 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5619 . 18 3 1 . O6 O 15.519 5.084 6.314 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5620 . 18 3 1 . O7 O 12.876 9.059 3.107 . . . 1.0 . . . . . . . . . . . . H . 101 MUB O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5621 . 19 6 1 . O1P O -8.777 -4.964 5.384 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5622 . 19 6 1 . O2P O -7.513 -7.041 6.269 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5623 . 19 6 1 . O3P O -10.042 -7.070 6.154 . . . 1.0 . . . . . . . . . . . . A . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5624 . 19 6 1 . P P -8.714 -6.169 6.307 . . . 1.0 . . . . . . . . . . . . A . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5625 . 20 4 1 . C1 C 16.319 7.636 2.266 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5626 . 20 4 1 . C2 C 17.493 7.564 1.315 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5627 . 20 4 1 . C3 C 17.060 8.045 -0.071 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5628 . 20 4 1 . C4 C 15.790 7.296 -0.516 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5629 . 20 4 1 . C5 C 14.721 7.339 0.566 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5630 . 20 4 1 . C6 C 13.476 6.534 0.205 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C6 . . . . . . . . . c50202_6yfy 1 . 4 . 5631 . 20 4 1 . C7 C 18.437 9.648 2.208 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C7 . . . . . . . . . c50202_6yfy 1 . 4 . 5632 . 20 4 1 . C8 C 19.643 10.400 2.728 . . . 1.0 . . . . . . . . . . . . H . 102 NAG C8 . . . . . . . . . c50202_6yfy 1 . 4 . 5633 . 20 4 1 . H1 H 15.984 8.704 2.441 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H1 . . . . . . . . . c50202_6yfy 1 . 4 . 5634 . 20 4 1 . H2 H 17.998 6.571 1.270 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5635 . 20 4 1 . H3 H 16.824 9.141 -0.090 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H3 . . . . . . . . . c50202_6yfy 1 . 4 . 5636 . 20 4 1 . H4 H 16.174 6.320 -0.909 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H4 . . . . . . . . . c50202_6yfy 1 . 4 . 5637 . 20 4 1 . H5 H 14.335 8.349 0.733 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H5 . . . . . . . . . c50202_6yfy 1 . 4 . 5638 . 20 4 1 . H61 H 13.737 5.503 -0.049 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H61 . . . . . . . . . c50202_6yfy 1 . 4 . 5639 . 20 4 1 . H62 H 13.056 6.969 -0.711 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H62 . . . . . . . . . c50202_6yfy 1 . 4 . 5640 . 20 4 1 . H81 H 19.341 11.406 3.013 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H81 . . . . . . . . . c50202_6yfy 1 . 4 . 5641 . 20 4 1 . H82 H 20.396 10.465 1.966 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H82 . . . . . . . . . c50202_6yfy 1 . 4 . 5642 . 20 4 1 . H83 H 20.053 9.870 3.588 . . . 1.0 . . . . . . . . . . . . H . 102 NAG H83 . . . . . . . . . c50202_6yfy 1 . 4 . 5643 . 20 4 1 . HN2 H 19.445 7.921 1.934 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HN2 . . . . . . . . . c50202_6yfy 1 . 4 . 5644 . 20 4 1 . HO3 H 18.872 8.280 -0.649 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO3 . . . . . . . . . c50202_6yfy 1 . 4 . 5645 . 20 4 1 . HO4 H 15.981 7.981 -2.355 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO4 . . . . . . . . . c50202_6yfy 1 . 4 . 5646 . 20 4 1 . HO6 H 13.106 6.248 2.053 . . . 1.0 . . . . . . . . . . . . H . 102 NAG HO6 . . . . . . . . . c50202_6yfy 1 . 4 . 5647 . 20 4 1 . N2 N 18.587 8.369 1.803 . . . 1.0 . . . . . . . . . . . . H . 102 NAG N2 . . . . . . . . . c50202_6yfy 1 . 4 . 5648 . 20 4 1 . O3 O 18.119 7.809 -0.974 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O3 . . . . . . . . . c50202_6yfy 1 . 4 . 5649 . 20 4 1 . O4 O 15.286 7.903 -1.696 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O4 . . . . . . . . . c50202_6yfy 1 . 4 . 5650 . 20 4 1 . O5 O 15.241 6.822 1.799 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O5 . . . . . . . . . c50202_6yfy 1 . 4 . 5651 . 20 4 1 . O6 O 12.561 6.464 1.282 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O6 . . . . . . . . . c50202_6yfy 1 . 4 . 5652 . 20 4 1 . O7 O 17.377 10.263 2.058 . . . 1.0 . . . . . . . . . . . . H . 102 NAG O7 . . . . . . . . . c50202_6yfy 1 . 4 . 5653 . 21 2 1 . C1 C -10.520 -7.570 4.897 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5654 . 21 2 1 . C2 C -9.472 -8.445 4.247 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5655 . 21 2 1 . C3 C -8.887 -8.190 3.079 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5656 . 21 2 1 . C4 C -7.824 -9.129 2.511 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5657 . 21 2 1 . C5 C -9.232 -6.956 2.231 . . . 1.0 . . . . . . . . . . . . A . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5658 . 21 2 1 . H11 H -11.413 -8.152 5.079 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5659 . 21 2 1 . H12 H -10.761 -6.738 4.253 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5660 . 21 2 1 . H2 H -9.042 -9.182 4.885 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5661 . 21 2 1 . H42 H -7.798 -10.047 3.089 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5662 . 21 2 1 . H43 H -6.867 -8.651 2.578 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5663 . 21 2 1 . H51 H -8.558 -6.901 1.387 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5664 . 21 2 1 . H52 H -9.136 -6.063 2.820 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5665 . 21 2 1 . H53 H -10.247 -7.043 1.874 . . . 1.0 . . . . . . . . . . . . A . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5666 . 22 2 1 . C1 C -8.099 -9.467 1.052 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5667 . 22 2 1 . C2 C -9.314 -10.347 0.939 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5668 . 22 2 1 . C3 C -9.368 -11.438 0.175 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5669 . 22 2 1 . C4 C -10.619 -12.284 0.058 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5670 . 22 2 1 . C5 C -8.185 -11.971 -0.625 . . . 1.0 . . . . . . . . . . . . A . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5671 . 22 2 1 . H11 H -7.241 -9.978 0.625 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5672 . 22 2 1 . H12 H -8.267 -8.546 0.519 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5673 . 22 2 1 . H2 H -10.228 -9.892 1.286 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5674 . 22 2 1 . H42 H -11.307 -12.023 0.856 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5675 . 22 2 1 . H43 H -10.359 -13.330 0.135 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5676 . 22 2 1 . H51 H -8.534 -12.737 -1.294 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5677 . 22 2 1 . H52 H -7.447 -12.385 0.050 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5678 . 22 2 1 . H53 H -7.739 -11.168 -1.195 . . . 1.0 . . . . . . . . . . . . A . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5679 . 23 2 1 . C1 C 9.092 -7.826 -7.321 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5680 . 23 2 1 . C2 C 9.501 -9.142 -6.708 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5681 . 23 2 1 . C3 C 10.482 -9.918 -7.201 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5682 . 23 2 1 . C4 C 10.866 -11.250 -6.592 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5683 . 23 2 1 . C5 C 11.326 -9.542 -8.417 . . . 1.0 . . . . . . . . . . . . A . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5684 . 23 2 1 . H11 H 9.862 -7.088 -7.119 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5685 . 23 2 1 . H12 H 8.989 -7.940 -8.389 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5686 . 23 2 1 . H2 H 8.782 -9.555 -6.023 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5687 . 23 2 1 . H42 H 10.831 -12.015 -7.357 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5688 . 23 2 1 . H43 H 10.166 -11.492 -5.808 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5689 . 23 2 1 . H51 H 11.828 -10.423 -8.777 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5690 . 23 2 1 . H52 H 12.056 -8.797 -8.135 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5691 . 23 2 1 . H53 H 10.691 -9.145 -9.196 . . . 1.0 . . . . . . . . . . . . A . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5692 . 24 2 1 . C1 C -11.307 -12.033 -1.287 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5693 . 24 2 1 . C2 C -12.491 -12.947 -1.468 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5694 . 24 2 1 . C3 C -13.741 -12.525 -1.730 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5695 . 24 2 1 . C4 C -14.923 -13.497 -1.909 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5696 . 24 2 1 . C5 C -14.122 -11.055 -1.894 . . . 1.0 . . . . . . . . . . . . A . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5697 . 24 2 1 . H11 H -10.605 -12.212 -2.086 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5698 . 24 2 1 . H12 H -11.641 -11.008 -1.326 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5699 . 24 2 1 . H2 H -12.205 -13.952 -1.739 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5700 . 24 2 1 . H41 H -15.084 -13.688 -2.962 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 4 . 5701 . 24 2 1 . H42 H -15.813 -13.058 -1.485 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5702 . 24 2 1 . H43 H -14.707 -14.428 -1.402 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5703 . 24 2 1 . H51 H -15.133 -10.991 -2.265 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5704 . 24 2 1 . H52 H -13.450 -10.599 -2.598 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5705 . 24 2 1 . H53 H -14.051 -10.538 -0.941 . . . 1.0 . . . . . . . . . . . . A . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5706 . 25 2 1 . C1 C 12.279 -11.204 -6.001 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5707 . 25 2 1 . C2 C 12.344 -11.950 -4.694 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5708 . 25 2 1 . C3 C 13.425 -12.591 -4.217 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5709 . 25 2 1 . C4 C 13.426 -13.328 -2.865 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5710 . 25 2 1 . C5 C 14.756 -12.658 -4.960 . . . 1.0 . . . . . . . . . . . . A . 107 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5711 . 25 2 1 . H11 H 12.567 -10.179 -5.833 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5712 . 25 2 1 . H12 H 12.964 -11.659 -6.702 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5713 . 25 2 1 . H2 H 11.434 -11.913 -4.120 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5714 . 25 2 1 . H41 H 14.227 -12.948 -2.245 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H41 . . . . . . . . . c50202_6yfy 1 . 4 . 5715 . 25 2 1 . H42 H 13.577 -14.383 -3.035 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5716 . 25 2 1 . H43 H 12.479 -13.176 -2.366 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5717 . 25 2 1 . H51 H 14.570 -12.876 -6.000 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5718 . 25 2 1 . H52 H 15.355 -13.441 -4.528 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5719 . 25 2 1 . H53 H 15.282 -11.712 -4.875 . . . 1.0 . . . . . . . . . . . . A . 107 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5720 . 26 6 1 . O1P O 11.664 -1.921 -1.074 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5721 . 26 6 1 . O2P O 9.273 -2.601 -0.602 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5722 . 26 6 1 . O3P O 10.932 -4.251 -1.419 . . . 1.0 . . . . . . . . . . . . B . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5723 . 26 6 1 . P P 10.485 -2.735 -1.440 . . . 1.0 . . . . . . . . . . . . B . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5724 . 27 6 1 . O1P O 10.642 -6.555 -0.671 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5725 . 27 6 1 . O2P O 8.654 -4.904 -0.616 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5726 . 27 6 1 . O3P O 9.480 -5.702 -2.833 . . . 1.0 . . . . . . . . . . . . B . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5727 . 27 6 1 . P P 9.866 -5.419 -1.286 . . . 1.0 . . . . . . . . . . . . B . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5728 . 28 2 1 . C1 C 8.356 -5.104 -3.512 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5729 . 28 2 1 . C2 C 8.234 -5.592 -4.954 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5730 . 28 2 1 . C3 C 7.872 -6.856 -5.296 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5731 . 28 2 1 . C4 C 7.756 -7.324 -6.733 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5732 . 28 2 1 . C5 C 7.529 -7.923 -4.279 . . . 1.0 . . . . . . . . . . . . B . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5733 . 28 2 1 . H11 H 7.455 -5.368 -2.973 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5734 . 28 2 1 . H12 H 8.475 -4.032 -3.494 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5735 . 28 2 1 . H2 H 8.235 -4.814 -5.701 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5736 . 28 2 1 . H42 H 7.412 -6.499 -7.322 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5737 . 28 2 1 . H43 H 7.034 -8.130 -6.787 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5738 . 28 2 1 . H51 H 6.779 -7.541 -3.604 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5739 . 28 2 1 . H52 H 8.418 -8.179 -3.723 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5740 . 28 2 1 . H53 H 7.149 -8.797 -4.788 . . . 1.0 . . . . . . . . . . . . B . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5741 . 29 6 1 . O1P O -11.429 2.886 -1.109 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5742 . 29 6 1 . O2P O -9.025 3.652 -0.752 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5743 . 29 6 1 . O3P O -10.876 5.336 -1.126 . . . 1.0 . . . . . . . . . . . . E . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5744 . 29 6 1 . P P -10.349 3.852 -1.416 . . . 1.0 . . . . . . . . . . . . E . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5745 . 30 6 1 . O1P O -11.853 4.549 1.055 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5746 . 30 6 1 . O2P O -11.991 6.981 0.376 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5747 . 30 6 1 . O3P O -13.364 5.268 -0.765 . . . 1.0 . . . . . . . . . . . . E . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5748 . 30 6 1 . P P -11.998 5.562 -0.005 . . . 1.0 . . . . . . . . . . . . E . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5749 . 31 2 1 . C1 C -13.329 4.800 -2.123 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5750 . 31 2 1 . C2 C -14.707 4.349 -2.516 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5751 . 31 2 1 . C3 C -15.253 3.167 -2.144 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5752 . 31 2 1 . C4 C -16.638 2.765 -2.597 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5753 . 31 2 1 . C5 C -14.589 2.174 -1.183 . . . 1.0 . . . . . . . . . . . . E . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5754 . 31 2 1 . H11 H -12.998 5.590 -2.769 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5755 . 31 2 1 . H12 H -12.651 3.960 -2.190 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5756 . 31 2 1 . H2 H -15.373 5.186 -2.610 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5757 . 31 2 1 . H42 H -16.554 1.922 -3.270 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5758 . 31 2 1 . H43 H -17.093 3.592 -3.125 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5759 . 31 2 1 . H51 H -13.516 2.196 -1.322 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5760 . 31 2 1 . H52 H -14.954 1.176 -1.384 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5761 . 31 2 1 . H53 H -14.827 2.445 -0.162 . . . 1.0 . . . . . . . . . . . . E . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5762 . 32 6 1 . O1P O 9.944 5.120 3.983 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5763 . 32 6 1 . O2P O 11.315 4.234 5.933 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5764 . 32 6 1 . O3P O 9.449 5.839 6.307 . . . 1.0 . . . . . . . . . . . . F . 101 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5765 . 32 6 1 . P P 10.578 5.362 5.301 . . . 1.0 . . . . . . . . . . . . F . 101 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5766 . 33 6 1 . O1P O 8.457 3.590 6.563 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O1P . . . . . . . . . c50202_6yfy 1 . 4 . 5767 . 33 6 1 . O2P O 7.214 5.638 7.425 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O2P . . . . . . . . . c50202_6yfy 1 . 4 . 5768 . 33 6 1 . O3P O 7.427 5.258 4.960 . . . 1.0 . . . . . . . . . . . . F . 102 2PO O3P . . . . . . . . . c50202_6yfy 1 . 4 . 5769 . 33 6 1 . P P 8.094 5.018 6.400 . . . 1.0 . . . . . . . . . . . . F . 102 2PO P . . . . . . . . . c50202_6yfy 1 . 4 . 5770 . 34 2 1 . C1 C 7.108 6.573 4.504 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5771 . 34 2 1 . C2 C 8.080 6.974 3.399 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5772 . 34 2 1 . C3 C 8.271 8.239 2.953 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5773 . 34 2 1 . C4 C 9.274 8.553 1.858 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5774 . 34 2 1 . C5 C 7.502 9.443 3.484 . . . 1.0 . . . . . . . . . . . . F . 103 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5775 . 34 2 1 . H11 H 6.096 6.590 4.125 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5776 . 34 2 1 . H12 H 7.189 7.249 5.350 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5777 . 34 2 1 . H2 H 8.390 6.148 2.756 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5778 . 34 2 1 . H42 H 9.990 7.745 1.805 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5779 . 34 2 1 . H43 H 9.793 9.470 2.105 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5780 . 34 2 1 . H51 H 7.739 10.308 2.879 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5781 . 34 2 1 . H52 H 7.788 9.633 4.507 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5782 . 34 2 1 . H53 H 6.445 9.240 3.428 . . . 1.0 . . . . . . . . . . . . F . 103 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5783 . 35 2 1 . C1 C -17.551 2.369 -1.425 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5784 . 35 2 1 . C2 C -17.363 0.921 -0.991 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5785 . 35 2 1 . C3 C -17.074 0.539 0.274 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5786 . 35 2 1 . C4 C -16.894 -0.908 0.700 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5787 . 35 2 1 . C5 C -16.885 1.519 1.426 . . . 1.0 . . . . . . . . . . . . F . 104 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5788 . 35 2 1 . H11 H -18.580 2.505 -1.739 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5789 . 35 2 1 . H12 H -17.352 3.029 -0.596 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5790 . 35 2 1 . H2 H -17.251 0.222 -1.803 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5791 . 35 2 1 . H42 H -16.917 -1.544 -0.177 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5792 . 35 2 1 . H43 H -17.704 -1.180 1.358 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5793 . 35 2 1 . H51 H -17.157 1.029 2.346 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5794 . 35 2 1 . H52 H -17.519 2.382 1.275 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5795 . 35 2 1 . H53 H -15.854 1.834 1.475 . . . 1.0 . . . . . . . . . . . . F . 104 P1W H53 . . . . . . . . . c50202_6yfy 1 . 4 . 5796 . 36 2 1 . C1 C 8.610 8.718 0.482 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C1 . . . . . . . . . c50202_6yfy 1 . 4 . 5797 . 36 2 1 . C2 C 8.347 10.164 0.157 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C2 . . . . . . . . . c50202_6yfy 1 . 4 . 5798 . 36 2 1 . C3 C 7.349 10.583 -0.626 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C3 . . . . . . . . . c50202_6yfy 1 . 4 . 5799 . 36 2 1 . C4 C 7.137 12.048 -0.948 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C4 . . . . . . . . . c50202_6yfy 1 . 4 . 5800 . 36 2 1 . C5 C 6.330 9.661 -1.297 . . . 1.0 . . . . . . . . . . . . F . 105 P1W C5 . . . . . . . . . c50202_6yfy 1 . 4 . 5801 . 36 2 1 . H11 H 7.668 8.182 0.479 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H11 . . . . . . . . . c50202_6yfy 1 . 4 . 5802 . 36 2 1 . H12 H 9.258 8.295 -0.270 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H12 . . . . . . . . . c50202_6yfy 1 . 4 . 5803 . 36 2 1 . H2 H 9.147 10.840 0.410 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H2 . . . . . . . . . c50202_6yfy 1 . 4 . 5804 . 36 2 1 . H42 H 6.877 12.150 -1.996 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H42 . . . . . . . . . c50202_6yfy 1 . 4 . 5805 . 36 2 1 . H43 H 8.044 12.596 -0.746 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H43 . . . . . . . . . c50202_6yfy 1 . 4 . 5806 . 36 2 1 . H51 H 6.859 8.875 -1.807 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H51 . . . . . . . . . c50202_6yfy 1 . 4 . 5807 . 36 2 1 . H52 H 5.743 10.226 -2.009 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H52 . . . . . . . . . c50202_6yfy 1 . 4 . 5808 . 36 2 1 . H53 H 5.678 9.232 -0.551 . . . 1.0 . . . . . . . . . . . . F . 105 P1W H53 . . . . . . . . . c50202_6yfy 1 . 5 . 5809 . 1 1 1 . C C 7.751 -13.270 -2.404 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 5 . 5810 . 1 1 1 . C10 C 8.270 -15.537 -0.568 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 5 . 5811 . 1 1 1 . CA C 8.517 -14.535 -2.791 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 5 . 5812 . 1 1 1 . CB C 10.025 -14.292 -2.612 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 5 . 5813 . 1 1 1 . CD1 C 11.644 -15.625 -4.005 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5814 . 1 1 1 . CD2 C 10.730 -13.621 -4.934 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 5 . 5815 . 1 1 1 . CE1 C 12.352 -15.847 -5.177 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 5 . 5816 . 1 1 1 . CE2 C 11.437 -13.836 -6.105 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 5 . 5817 . 1 1 1 . CG C 10.815 -14.517 -3.875 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 5 . 5818 . 1 1 1 . CZ C 12.257 -14.945 -6.222 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 5 . 5819 . 1 1 1 . H H 8.609 -16.565 -2.303 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 5 . 5820 . 1 1 1 . H11 H 7.851 -14.584 -0.274 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 5 . 5821 . 1 1 1 . H12 H 9.328 -15.545 -0.350 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 5 . 5822 . 1 1 1 . H13 H 7.783 -16.330 -0.017 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 5 . 5823 . 1 1 1 . HA H 8.327 -14.731 -3.838 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 5 . 5824 . 1 1 1 . HB2 H 10.181 -13.269 -2.293 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5825 . 1 1 1 . HB3 H 10.404 -14.960 -1.854 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5826 . 1 1 1 . HD1 H 11.723 -16.330 -3.189 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5827 . 1 1 1 . HD2 H 10.096 -12.753 -4.842 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 5 . 5828 . 1 1 1 . HE1 H 12.992 -16.713 -5.267 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 5 . 5829 . 1 1 1 . HE2 H 11.357 -13.132 -6.921 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 5 . 5830 . 1 1 1 . HN2 H 7.048 -15.913 -2.216 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 5 . 5831 . 1 1 1 . HZ H 12.808 -15.115 -7.136 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 5 . 5832 . 1 1 1 . N N 8.062 -15.734 -2.013 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 5 . 5833 . 1 1 1 . O O 8.060 -12.623 -1.407 . . . 1.0 . . . . . . . . . . . . A . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 5 . 5834 . 1 1 2 ILE C C 4.793 -11.956 -2.001 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 5 . 5835 . 1 1 2 ILE CA C 5.971 -11.727 -2.962 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 5 . 5836 . 1 1 2 ILE CB C 5.458 -11.132 -4.312 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 5 . 5837 . 1 1 2 ILE CD1 C 3.464 -9.919 -5.340 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5838 . 1 1 2 ILE CG1 C 4.098 -10.455 -4.094 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 5839 . 1 1 2 ILE CG2 C 5.392 -12.202 -5.433 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5840 . 1 1 2 ILE H H 6.522 -13.503 -3.960 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 5 . 5841 . 1 1 2 ILE HA H 6.634 -11.001 -2.513 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 5 . 5842 . 1 1 2 ILE HB H 6.168 -10.388 -4.629 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 5 . 5843 . 1 1 2 ILE HD11 H 4.030 -9.078 -5.703 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 5 . 5844 . 1 1 2 ILE HD12 H 2.453 -9.606 -5.111 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 5 . 5845 . 1 1 2 ILE HD13 H 3.443 -10.697 -6.084 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 5 . 5846 . 1 1 2 ILE HG12 H 3.420 -11.170 -3.678 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 5 . 5847 . 1 1 2 ILE HG13 H 4.220 -9.630 -3.400 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 5 . 5848 . 1 1 2 ILE HG21 H 4.942 -11.776 -6.323 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 5 . 5849 . 1 1 2 ILE HG22 H 4.802 -13.051 -5.113 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 5 . 5850 . 1 1 2 ILE HG23 H 6.393 -12.540 -5.674 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 5 . 5851 . 1 1 2 ILE N N 6.749 -12.933 -3.196 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 5 . 5852 . 1 1 2 ILE O O 4.011 -12.895 -2.189 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 5 . 5853 . 1 1 3 SER C C 3.088 -9.886 0.498 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c50202_6yfy 1 . 5 . 5854 . 1 1 3 SER CA C 3.556 -11.246 -0.025 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 5 . 5855 . 1 1 3 SER CB C 3.899 -12.156 1.161 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 5 . 5856 . 1 1 3 SER H H 5.375 -10.432 -0.776 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c50202_6yfy 1 . 5 . 5857 . 1 1 3 SER HA H 2.741 -11.685 -0.573 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 5 . 5858 . 1 1 3 SER HB2 H 4.644 -11.679 1.771 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5859 . 1 1 3 SER HB3 H 3.003 -12.315 1.752 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5860 . 1 1 3 SER HG H 4.194 -13.559 -0.190 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 5 . 5861 . 1 1 3 SER N N 4.675 -11.122 -0.947 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c50202_6yfy 1 . 5 . 5862 . 1 1 3 SER O O 3.819 -8.876 0.429 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c50202_6yfy 1 . 5 . 5863 . 1 1 3 SER OG O 4.395 -13.422 0.741 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 5 . 5864 . 1 1 4 . C C -0.287 -8.706 1.268 . . . 1.0 . . . . . . . . . . . . A . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 5 . 5865 . 1 1 4 . CA C 1.193 -8.724 1.592 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 5 . 5866 . 1 1 4 . CB C 1.298 -8.743 3.116 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 5 . 5867 . 1 1 4 . CD C 3.016 -6.990 3.232 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 5 . 5868 . 1 1 4 . CG C 2.659 -8.391 3.643 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 5 . 5869 . 1 1 4 . CZ C 3.821 -4.999 4.374 . . . 1.0 . . . . . . . . . . . . A . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 5 . 5870 . 1 1 4 . H H 1.355 -10.747 1.016 . . . 1.0 . . . . . . . . . . . . A . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 5 . 5871 . 1 1 4 . HA H 1.662 -7.838 1.208 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 5 . 5872 . 1 1 4 . HB2 H 1.034 -9.726 3.477 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5873 . 1 1 4 . HB3 H 0.594 -8.026 3.514 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5874 . 1 1 4 . HD2 H 2.103 -6.436 3.053 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 5 . 5875 . 1 1 4 . HD3 H 3.597 -7.029 2.329 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 5 . 5876 . 1 1 4 . HE H 4.273 -6.874 4.891 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 5 . 5877 . 1 1 4 . HG2 H 3.387 -9.077 3.236 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5878 . 1 1 4 . HG3 H 2.648 -8.458 4.721 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 5 . 5879 . 1 1 4 . HH11 H 4.515 -3.412 5.469 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 5 . 5880 . 1 1 4 . HH12 H 5.013 -5.044 6.042 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 5 . 5881 . 1 1 4 . HH21 H 3.245 -3.188 3.574 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 5 . 5882 . 1 1 4 . HH22 H 2.742 -4.654 2.651 . . . 1.0 . . . . . . . . . . . . A . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 5 . 5883 . 1 1 4 . N N 1.850 -9.900 1.022 . . . 1.0 . . . . . . . . . . . . A . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 5 . 5884 . 1 1 4 . NE N 3.780 -6.312 4.253 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 5 . 5885 . 1 1 4 . NH1 N 4.497 -4.445 5.366 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 5 . 5886 . 1 1 4 . NH2 N 3.223 -4.231 3.472 . . . 1.0 . . . . . . . . . . . . A . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 5 . 5887 . 1 1 4 . O O -1.028 -9.586 1.703 . . . 1.0 . . . . . . . . . . . . A . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 5 . 5888 . 1 1 5 . C C -2.683 -6.197 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 28J C . . . . . . . . . c50202_6yfy 1 . 5 . 5889 . 1 1 5 . CA C -2.159 -7.611 0.242 . . . 1.0 . . . . . . . . . . . . A . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 5 . 5890 . 1 1 5 . CB C -2.488 -8.128 -1.169 . . . 1.0 . . . . . . . . . . . . A . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 5 . 5891 . 1 1 5 . CD1 C -2.779 -10.266 -2.519 . . . 1.0 . . . . . . . . . . . . A . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5892 . 1 1 5 . CG1 C -2.452 -9.654 -1.179 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 5893 . 1 1 5 . CG2 C -1.513 -7.563 -2.188 . . . 1.0 . . . . . . . . . . . . A . 5 28J CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5894 . 1 1 5 . H21 H -2.673 -8.240 0.947 . . . 1.0 . . . . . . . . . . . . A . 5 28J H21 . . . . . . . . . c50202_6yfy 1 . 5 . 5895 . 1 1 5 . H22 H -3.488 -7.795 -1.430 . . . 1.0 . . . . . . . . . . . . A . 5 28J H22 . . . . . . . . . c50202_6yfy 1 . 5 . 5896 . 1 1 5 . H23 H -1.764 -7.934 -3.168 . . . 1.0 . . . . . . . . . . . . A . 5 28J H23 . . . . . . . . . c50202_6yfy 1 . 5 . 5897 . 1 1 5 . H24 H -0.511 -7.877 -1.929 . . . 1.0 . . . . . . . . . . . . A . 5 28J H24 . . . . . . . . . c50202_6yfy 1 . 5 . 5898 . 1 1 5 . H25 H -1.566 -6.486 -2.182 . . . 1.0 . . . . . . . . . . . . A . 5 28J H25 . . . . . . . . . c50202_6yfy 1 . 5 . 5899 . 1 1 5 . H26 H -3.162 -10.033 -0.457 . . . 1.0 . . . . . . . . . . . . A . 5 28J H26 . . . . . . . . . c50202_6yfy 1 . 5 . 5900 . 1 1 5 . H27 H -1.460 -9.976 -0.903 . . . 1.0 . . . . . . . . . . . . A . 5 28J H27 . . . . . . . . . c50202_6yfy 1 . 5 . 5901 . 1 1 5 . H28 H -2.756 -11.342 -2.436 . . . 1.0 . . . . . . . . . . . . A . 5 28J H28 . . . . . . . . . c50202_6yfy 1 . 5 . 5902 . 1 1 5 . H29 H -2.050 -9.943 -3.248 . . . 1.0 . . . . . . . . . . . . A . 5 28J H29 . . . . . . . . . c50202_6yfy 1 . 5 . 5903 . 1 1 5 . H30 H -3.763 -9.949 -2.827 . . . 1.0 . . . . . . . . . . . . A . 5 28J H30 . . . . . . . . . c50202_6yfy 1 . 5 . 5904 . 1 1 5 . N N -0.738 -7.703 0.544 . . . 1.0 . . . . . . . . . . . . A . 5 28J N . . . . . . . . . c50202_6yfy 1 . 5 . 5905 . 1 1 5 . O O -1.913 -5.254 0.608 . . . 1.0 . . . . . . . . . . . . A . 5 28J O . . . . . . . . . c50202_6yfy 1 . 5 . 5906 . 1 1 6 ILE C C -5.943 -4.871 1.258 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . c50202_6yfy 1 . 5 . 5907 . 1 1 6 ILE CA C -4.689 -4.798 0.416 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . c50202_6yfy 1 . 5 . 5908 . 1 1 6 ILE CB C -5.131 -4.314 -0.993 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . c50202_6yfy 1 . 5 . 5909 . 1 1 6 ILE CD1 C -6.486 -2.501 -2.207 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5910 . 1 1 6 ILE CG1 C -6.159 -3.175 -0.893 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 5911 . 1 1 6 ILE CG2 C -5.736 -5.467 -1.740 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5912 . 1 1 6 ILE H H -4.558 -6.895 0.268 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . c50202_6yfy 1 . 5 . 5913 . 1 1 6 ILE HA H -4.011 -4.069 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . c50202_6yfy 1 . 5 . 5914 . 1 1 6 ILE HB H -4.258 -3.976 -1.527 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . c50202_6yfy 1 . 5 . 5915 . 1 1 6 ILE HD11 H -7.247 -1.750 -2.043 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 5 . 5916 . 1 1 6 ILE HD12 H -6.865 -3.218 -2.885 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 5 . 5917 . 1 1 6 ILE HD13 H -5.612 -2.045 -2.607 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 5 . 5918 . 1 1 6 ILE HG12 H -7.084 -3.584 -0.522 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 5 . 5919 . 1 1 6 ILE HG13 H -5.793 -2.431 -0.224 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 5 . 5920 . 1 1 6 ILE HG21 H -6.590 -5.842 -1.179 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 5 . 5921 . 1 1 6 ILE HG22 H -5.005 -6.241 -1.846 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 5 . 5922 . 1 1 6 ILE HG23 H -6.068 -5.130 -2.709 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 5 . 5923 . 1 1 6 ILE N N -4.011 -6.081 0.339 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . c50202_6yfy 1 . 5 . 5924 . 1 1 6 ILE O O -6.830 -5.691 1.002 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . c50202_6yfy 1 . 5 . 5925 . 1 1 7 SER C C -7.230 -2.620 3.849 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c50202_6yfy 1 . 5 . 5926 . 1 1 7 SER CA C -7.146 -3.959 3.125 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c50202_6yfy 1 . 5 . 5927 . 1 1 7 SER CB C -7.187 -5.084 4.132 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c50202_6yfy 1 . 5 . 5928 . 1 1 7 SER H H -5.150 -3.622 2.576 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c50202_6yfy 1 . 5 . 5929 . 1 1 7 SER HA H -7.992 -4.039 2.474 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c50202_6yfy 1 . 5 . 5930 . 1 1 7 SER HB2 H -7.756 -4.764 4.988 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5931 . 1 1 7 SER HB3 H -7.650 -5.941 3.680 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5932 . 1 1 7 SER HG H -5.729 -6.339 4.271 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c50202_6yfy 1 . 5 . 5933 . 1 1 7 SER N N -5.970 -4.076 2.303 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c50202_6yfy 1 . 5 . 5934 . 1 1 7 SER O O -6.488 -1.658 3.562 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c50202_6yfy 1 . 5 . 5935 . 1 1 7 SER OG O -5.896 -5.441 4.555 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c50202_6yfy 1 . 5 . 5936 . 1 1 8 DTH C C -9.792 -0.778 5.221 . . . 1.0 . . . . . . . . . . . . A . 8 DTH C . . . . . . . . . c50202_6yfy 1 . 5 . 5937 . 1 1 8 DTH CA C -8.502 -1.492 5.660 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CA . . . . . . . . . c50202_6yfy 1 . 5 . 5938 . 1 1 8 DTH CB C -8.723 -1.939 7.136 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CB . . . . . . . . . c50202_6yfy 1 . 5 . 5939 . 1 1 8 DTH CG2 C -7.563 -2.817 7.568 . . . 1.0 . . . . . . . . . . . . A . 8 DTH CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5940 . 1 1 8 DTH H H -8.744 -3.426 4.869 . . . 1.0 . . . . . . . . . . . . A . 8 DTH H . . . . . . . . . c50202_6yfy 1 . 5 . 5941 . 1 1 8 DTH HA H -7.676 -0.802 5.633 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HA . . . . . . . . . c50202_6yfy 1 . 5 . 5942 . 1 1 8 DTH HB H -8.779 -1.051 7.783 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HB . . . . . . . . . c50202_6yfy 1 . 5 . 5943 . 1 1 8 DTH HG21 H -6.635 -2.274 7.481 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG21 . . . . . . . . . c50202_6yfy 1 . 5 . 5944 . 1 1 8 DTH HG22 H -7.526 -3.704 6.953 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG22 . . . . . . . . . c50202_6yfy 1 . 5 . 5945 . 1 1 8 DTH HG23 H -7.712 -3.107 8.601 . . . 1.0 . . . . . . . . . . . . A . 8 DTH HG23 . . . . . . . . . c50202_6yfy 1 . 5 . 5946 . 1 1 8 DTH N N -8.196 -2.618 4.783 . . . 1.0 . . . . . . . . . . . . A . 8 DTH N . . . . . . . . . c50202_6yfy 1 . 5 . 5947 . 1 1 8 DTH O O -10.021 0.370 5.598 . . . 1.0 . . . . . . . . . . . . A . 8 DTH O . . . . . . . . . c50202_6yfy 1 . 5 . 5948 . 1 1 8 DTH OG1 O -9.966 -2.660 7.294 . . . 1.0 . . . . . . . . . . . . A . 8 DTH OG1 . . . . . . . . . c50202_6yfy 1 . 5 . 5949 . 1 1 9 ALA C C -12.986 -1.160 5.040 . . . 1.0 . . . . . . . . . . . . A . 9 ALA C . . . . . . . . . c50202_6yfy 1 . 5 . 5950 . 1 1 9 ALA CA C -11.921 -0.904 3.989 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CA . . . . . . . . . c50202_6yfy 1 . 5 . 5951 . 1 1 9 ALA CB C -12.396 -1.512 2.677 . . . 1.0 . . . . . . . . . . . . A . 9 ALA CB . . . . . . . . . c50202_6yfy 1 . 5 . 5952 . 1 1 9 ALA H H -10.357 -2.341 4.094 . . . 1.0 . . . . . . . . . . . . A . 9 ALA H . . . . . . . . . c50202_6yfy 1 . 5 . 5953 . 1 1 9 ALA HA H -11.809 0.161 3.855 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HA . . . . . . . . . c50202_6yfy 1 . 5 . 5954 . 1 1 9 ALA HB1 H -11.552 -1.734 2.056 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB1 . . . . . . . . . c50202_6yfy 1 . 5 . 5955 . 1 1 9 ALA HB2 H -13.039 -0.802 2.173 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5956 . 1 1 9 ALA HB3 H -12.954 -2.412 2.884 . . . 1.0 . . . . . . . . . . . . A . 9 ALA HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5957 . 1 1 9 ALA N N -10.628 -1.459 4.421 . . . 1.0 . . . . . . . . . . . . A . 9 ALA N . . . . . . . . . c50202_6yfy 1 . 5 . 5958 . 1 1 9 ALA O O -13.473 -0.233 5.681 . . . 1.0 . . . . . . . . . . . . A . 9 ALA O . . . . . . . . . c50202_6yfy 1 . 5 . 5959 . 1 1 10 LEU C C -13.739 -2.906 7.527 . . . 1.0 . . . . . . . . . . . . A . 10 LEU C . . . . . . . . . c50202_6yfy 1 . 5 . 5960 . 1 1 10 LEU CA C -14.372 -2.833 6.169 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CA . . . . . . . . . c50202_6yfy 1 . 5 . 5961 . 1 1 10 LEU CB C -14.990 -4.194 5.836 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CB . . . . . . . . . c50202_6yfy 1 . 5 . 5962 . 1 1 10 LEU CD1 C -13.273 -5.995 6.050 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5963 . 1 1 10 LEU CD2 C -14.876 -6.054 4.166 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CD2 . . . . . . . . . c50202_6yfy 1 . 5 . 5964 . 1 1 10 LEU CG C -14.076 -5.158 5.084 . . . 1.0 . . . . . . . . . . . . A . 10 LEU CG . . . . . . . . . c50202_6yfy 1 . 5 . 5965 . 1 1 10 LEU H H -12.952 -3.121 4.594 . . . 1.0 . . . . . . . . . . . . A . 10 LEU H . . . . . . . . . c50202_6yfy 1 . 5 . 5966 . 1 1 10 LEU HA H -15.148 -2.083 6.181 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HA . . . . . . . . . c50202_6yfy 1 . 5 . 5967 . 1 1 10 LEU HB2 H -15.272 -4.669 6.773 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 5968 . 1 1 10 LEU HB3 H -15.873 -4.037 5.252 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 5969 . 1 1 10 LEU HD11 H -13.948 -6.583 6.659 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD11 . . . . . . . . . c50202_6yfy 1 . 5 . 5970 . 1 1 10 LEU HD12 H -12.691 -5.346 6.684 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD12 . . . . . . . . . c50202_6yfy 1 . 5 . 5971 . 1 1 10 LEU HD13 H -12.620 -6.650 5.503 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD13 . . . . . . . . . c50202_6yfy 1 . 5 . 5972 . 1 1 10 LEU HD21 H -15.363 -5.457 3.410 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD21 . . . . . . . . . c50202_6yfy 1 . 5 . 5973 . 1 1 10 LEU HD22 H -15.622 -6.584 4.742 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD22 . . . . . . . . . c50202_6yfy 1 . 5 . 5974 . 1 1 10 LEU HD23 H -14.218 -6.767 3.693 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HD23 . . . . . . . . . c50202_6yfy 1 . 5 . 5975 . 1 1 10 LEU HG H -13.386 -4.591 4.480 . . . 1.0 . . . . . . . . . . . . A . 10 LEU HG . . . . . . . . . c50202_6yfy 1 . 5 . 5976 . 1 1 10 LEU N N -13.363 -2.434 5.175 . . . 1.0 . . . . . . . . . . . . A . 10 LEU N . . . . . . . . . c50202_6yfy 1 . 5 . 5977 . 1 1 10 LEU O O -14.326 -2.524 8.541 . . . 1.0 . . . . . . . . . . . . A . 10 LEU O . . . . . . . . . c50202_6yfy 1 . 5 . 5978 . 1 1 11 ILE C C -10.468 -2.787 8.639 . . . 1.0 . . . . . . . . . . . . A . 11 ILE C . . . . . . . . . c50202_6yfy 1 . 5 . 5979 . 1 1 11 ILE CA C -11.789 -3.546 8.766 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CA . . . . . . . . . c50202_6yfy 1 . 5 . 5980 . 1 1 11 ILE CB C -11.550 -5.034 9.153 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CB . . . . . . . . . c50202_6yfy 1 . 5 . 5981 . 1 1 11 ILE CD1 C -12.723 -7.228 9.775 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 5982 . 1 1 11 ILE CG1 C -12.872 -5.737 9.522 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 5983 . 1 1 11 ILE CG2 C -10.589 -5.126 10.323 . . . 1.0 . . . . . . . . . . . . A . 11 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 5984 . 1 1 11 ILE H H -12.111 -3.684 6.665 . . . 1.0 . . . . . . . . . . . . A . 11 ILE H . . . . . . . . . c50202_6yfy 1 . 5 . 5985 . 1 1 11 ILE HA H -12.377 -3.084 9.549 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HA . . . . . . . . . c50202_6yfy 1 . 5 . 5986 . 1 1 11 ILE HB H -11.105 -5.540 8.309 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HB . . . . . . . . . c50202_6yfy 1 . 5 . 5987 . 1 1 11 ILE HD11 H -11.987 -7.391 10.550 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 5 . 5988 . 1 1 11 ILE HD12 H -12.404 -7.718 8.868 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 5 . 5989 . 1 1 11 ILE HD13 H -13.673 -7.638 10.090 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 5 . 5990 . 1 1 11 ILE HG12 H -13.266 -5.293 10.424 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 5 . 5991 . 1 1 11 ILE HG13 H -13.584 -5.605 8.722 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 5 . 5992 . 1 1 11 ILE HG21 H -10.403 -6.161 10.556 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 5 . 5993 . 1 1 11 ILE HG22 H -11.027 -4.635 11.183 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 5 . 5994 . 1 1 11 ILE HG23 H -9.662 -4.638 10.065 . . . 1.0 . . . . . . . . . . . . A . 11 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 5 . 5995 . 1 1 11 ILE N N -12.529 -3.413 7.533 . . . 1.0 . . . . . . . . . . . . A . 11 ILE N . . . . . . . . . c50202_6yfy 1 . 5 . 5996 . 2 2 1 . C1 C -7.312 2.400 -10.984 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C1 . . . . . . . . . c50202_6yfy 1 . 5 . 5997 . 2 2 1 . C2 C -6.857 1.992 -12.360 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C2 . . . . . . . . . c50202_6yfy 1 . 5 . 5998 . 2 2 1 . C3 C -5.575 2.023 -12.790 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C3 . . . . . . . . . c50202_6yfy 1 . 5 . 5999 . 2 2 1 . C4 C -5.171 1.591 -14.205 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C4 . . . . . . . . . c50202_6yfy 1 . 5 . 6000 . 2 2 1 . C5 C -4.411 2.485 -11.917 . . . 1.0 . . . . . . . . . . . . F . 106 P1W C5 . . . . . . . . . c50202_6yfy 1 . 5 . 6001 . 2 2 1 . H11 H -7.533 1.515 -10.408 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H11 . . . . . . . . . c50202_6yfy 1 . 5 . 6002 . 2 2 1 . H12 H -6.535 2.966 -10.504 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H12 . . . . . . . . . c50202_6yfy 1 . 5 . 6003 . 2 2 1 . H2 H -7.624 1.557 -12.975 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H2 . . . . . . . . . c50202_6yfy 1 . 5 . 6004 . 2 2 1 . H41 H -6.009 1.720 -14.876 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H41 . . . . . . . . . c50202_6yfy 1 . 5 . 6005 . 2 2 1 . H42 H -4.880 0.549 -14.192 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H42 . . . . . . . . . c50202_6yfy 1 . 5 . 6006 . 2 2 1 . H43 H -4.340 2.193 -14.544 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H43 . . . . . . . . . c50202_6yfy 1 . 5 . 6007 . 2 2 1 . H51 H -3.485 2.120 -12.338 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H51 . . . . . . . . . c50202_6yfy 1 . 5 . 6008 . 2 2 1 . H52 H -4.535 2.089 -10.922 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H52 . . . . . . . . . c50202_6yfy 1 . 5 . 6009 . 2 2 1 . H53 H -4.389 3.566 -11.877 . . . 1.0 . . . . . . . . . . . . F . 106 P1W H53 . . . . . . . . . c50202_6yfy 1 . 5 . 6010 . 3 1 1 . C C -8.385 2.211 2.200 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C . . . . . . . . . c50202_6yfy 1 . 5 . 6011 . 3 1 1 . C10 C -8.030 3.833 4.600 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE C10 . . . . . . . . . c50202_6yfy 1 . 5 . 6012 . 3 1 1 . CA C -9.220 3.463 2.498 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CA . . . . . . . . . c50202_6yfy 1 . 5 . 6013 . 3 1 1 . CB C -10.509 3.055 3.237 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CB . . . . . . . . . c50202_6yfy 1 . 5 . 6014 . 3 1 1 . CD1 C -12.850 3.926 2.893 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 6015 . 3 1 1 . CD2 C -11.863 2.587 1.179 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CD2 . . . . . . . . . c50202_6yfy 1 . 5 . 6016 . 3 1 1 . CE1 C -14.008 4.039 2.139 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE1 . . . . . . . . . c50202_6yfy 1 . 5 . 6017 . 3 1 1 . CE2 C -13.015 2.697 0.421 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CE2 . . . . . . . . . c50202_6yfy 1 . 5 . 6018 . 3 1 1 . CG C -11.766 3.194 2.421 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CG . . . . . . . . . c50202_6yfy 1 . 5 . 6019 . 3 1 1 . CZ C -14.088 3.427 0.898 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE CZ . . . . . . . . . c50202_6yfy 1 . 5 . 6020 . 3 1 1 . H H -9.071 5.259 3.551 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H . . . . . . . . . c50202_6yfy 1 . 5 . 6021 . 3 1 1 . H11 H -7.501 2.914 4.385 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H11 . . . . . . . . . c50202_6yfy 1 . 5 . 6022 . 3 1 1 . H12 H -8.899 3.614 5.200 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H12 . . . . . . . . . c50202_6yfy 1 . 5 . 6023 . 3 1 1 . H13 H -7.378 4.505 5.142 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE H13 . . . . . . . . . c50202_6yfy 1 . 5 . 6024 . 3 1 1 . HA H -9.483 3.928 1.561 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HA . . . . . . . . . c50202_6yfy 1 . 5 . 6025 . 3 1 1 . HB2 H -10.428 2.023 3.538 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 6026 . 3 1 1 . HB3 H -10.616 3.670 4.118 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 6027 . 3 1 1 . HD1 H -12.787 4.405 3.858 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD1 . . . . . . . . . c50202_6yfy 1 . 5 . 6028 . 3 1 1 . HD2 H -11.029 2.015 0.804 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HD2 . . . . . . . . . c50202_6yfy 1 . 5 . 6029 . 3 1 1 . HE1 H -14.846 4.607 2.513 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE1 . . . . . . . . . c50202_6yfy 1 . 5 . 6030 . 3 1 1 . HE2 H -13.072 2.222 -0.544 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HE2 . . . . . . . . . c50202_6yfy 1 . 5 . 6031 . 3 1 1 . HN2 H -7.634 4.806 2.776 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HN2 . . . . . . . . . c50202_6yfy 1 . 5 . 6032 . 3 1 1 . HZ H -14.987 3.516 0.306 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE HZ . . . . . . . . . c50202_6yfy 1 . 5 . 6033 . 3 1 1 . N N -8.463 4.448 3.331 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE N . . . . . . . . . c50202_6yfy 1 . 5 . 6034 . 3 1 1 . O O -8.355 1.279 3.004 . . . 1.0 . . . . . . . . . . . . B . 1 ZAE O . . . . . . . . . c50202_6yfy 1 . 5 . 6035 . 3 1 2 ILE C C -5.462 1.075 1.182 . . . 1.0 . . . . . . . . . . . . B . 2 ILE C . . . . . . . . . c50202_6yfy 1 . 5 . 6036 . 3 1 2 ILE CA C -6.916 0.983 0.727 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CA . . . . . . . . . c50202_6yfy 1 . 5 . 6037 . 3 1 2 ILE CB C -6.956 0.633 -0.797 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CB . . . . . . . . . c50202_6yfy 1 . 5 . 6038 . 3 1 2 ILE CD1 C -5.805 1.178 -3.011 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 6039 . 3 1 2 ILE CG1 C -6.076 1.608 -1.598 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 6040 . 3 1 2 ILE CG2 C -8.403 0.607 -1.349 . . . 1.0 . . . . . . . . . . . . B . 2 ILE CG2 . . . . . . . . . c50202_6yfy 1 . 5 . 6041 . 3 1 2 ILE H H -7.689 2.976 0.436 . . . 1.0 . . . . . . . . . . . . B . 2 ILE H . . . . . . . . . c50202_6yfy 1 . 5 . 6042 . 3 1 2 ILE HA H -7.357 0.163 1.265 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HA . . . . . . . . . c50202_6yfy 1 . 5 . 6043 . 3 1 2 ILE HB H -6.557 -0.359 -0.908 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HB . . . . . . . . . c50202_6yfy 1 . 5 . 6044 . 3 1 2 ILE HD11 H -5.562 0.131 -3.030 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD11 . . . . . . . . . c50202_6yfy 1 . 5 . 6045 . 3 1 2 ILE HD12 H -4.971 1.752 -3.400 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD12 . . . . . . . . . c50202_6yfy 1 . 5 . 6046 . 3 1 2 ILE HD13 H -6.680 1.367 -3.606 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HD13 . . . . . . . . . c50202_6yfy 1 . 5 . 6047 . 3 1 2 ILE HG12 H -6.556 2.562 -1.649 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG12 . . . . . . . . . c50202_6yfy 1 . 5 . 6048 . 3 1 2 ILE HG13 H -5.121 1.715 -1.098 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG13 . . . . . . . . . c50202_6yfy 1 . 5 . 6049 . 3 1 2 ILE HG21 H -8.841 1.590 -1.282 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG21 . . . . . . . . . c50202_6yfy 1 . 5 . 6050 . 3 1 2 ILE HG22 H -9.007 -0.093 -0.784 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG22 . . . . . . . . . c50202_6yfy 1 . 5 . 6051 . 3 1 2 ILE HG23 H -8.386 0.294 -2.386 . . . 1.0 . . . . . . . . . . . . B . 2 ILE HG23 . . . . . . . . . c50202_6yfy 1 . 5 . 6052 . 3 1 2 ILE N N -7.686 2.182 1.060 . . . 1.0 . . . . . . . . . . . . B . 2 ILE N . . . . . . . . . c50202_6yfy 1 . 5 . 6053 . 3 1 2 ILE O O -4.800 2.110 0.978 . . . 1.0 . . . . . . . . . . . . B . 2 ILE O . . . . . . . . . c50202_6yfy 1 . 5 . 6054 . 3 1 3 SER C C -3.101 -1.523 2.303 . . . 1.0 . . . . . . . . . . . . B . 3 SER C . . . . . . . . . c50202_6yfy 1 . 5 . 6055 . 3 1 3 SER CA C -3.620 -0.094 2.305 . . . 1.0 . . . . . . . . . . . . B . 3 SER CA . . . . . . . . . c50202_6yfy 1 . 5 . 6056 . 3 1 3 SER CB C -3.452 0.506 3.699 . . . 1.0 . . . . . . . . . . . . B . 3 SER CB . . . . . . . . . c50202_6yfy 1 . 5 . 6057 . 3 1 3 SER H H -5.598 -0.787 2.017 . . . 1.0 . . . . . . . . . . . . B . 3 SER H . . . . . . . . . c50202_6yfy 1 . 5 . 6058 . 3 1 3 SER HA H -3.013 0.475 1.612 . . . 1.0 . . . . . . . . . . . . B . 3 SER HA . . . . . . . . . c50202_6yfy 1 . 5 . 6059 . 3 1 3 SER HB2 H -3.443 -0.285 4.426 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 6060 . 3 1 3 SER HB3 H -2.509 1.042 3.739 . . . 1.0 . . . . . . . . . . . . B . 3 SER HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 6061 . 3 1 3 SER HG H -5.346 0.973 3.880 . . . 1.0 . . . . . . . . . . . . B . 3 SER HG . . . . . . . . . c50202_6yfy 1 . 5 . 6062 . 3 1 3 SER N N -4.991 -0.013 1.841 . . . 1.0 . . . . . . . . . . . . B . 3 SER N . . . . . . . . . c50202_6yfy 1 . 5 . 6063 . 3 1 3 SER O O -3.860 -2.499 2.436 . . . 1.0 . . . . . . . . . . . . B . 3 SER O . . . . . . . . . c50202_6yfy 1 . 5 . 6064 . 3 1 3 SER OG O -4.498 1.416 4.007 . . . 1.0 . . . . . . . . . . . . B . 3 SER OG . . . . . . . . . c50202_6yfy 1 . 5 . 6065 . 3 1 4 . C C 0.140 -2.681 1.200 . . . 1.0 . . . . . . . . . . . . B . 4 DAR C . . . . . . . . . c50202_6yfy 1 . 5 . 6066 . 3 1 4 . CA C -1.033 -2.848 2.125 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CA . . . . . . . . . c50202_6yfy 1 . 5 . 6067 . 3 1 4 . CB C -0.445 -3.231 3.481 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CB . . . . . . . . . c50202_6yfy 1 . 5 . 6068 . 3 1 4 . CD C -1.849 -5.160 4.053 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CD . . . . . . . . . c50202_6yfy 1 . 5 . 6069 . 3 1 4 . CG C -1.422 -3.784 4.483 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CG . . . . . . . . . c50202_6yfy 1 . 5 . 6070 . 3 1 4 . CZ C -2.894 -7.155 4.971 . . . 1.0 . . . . . . . . . . . . B . 4 DAR CZ . . . . . . . . . c50202_6yfy 1 . 5 . 6071 . 3 1 4 . H H -1.283 -0.747 2.098 . . . 1.0 . . . . . . . . . . . . B . 4 DAR H . . . . . . . . . c50202_6yfy 1 . 5 . 6072 . 3 1 4 . HA H -1.678 -3.632 1.758 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HA . . . . . . . . . c50202_6yfy 1 . 5 . 6073 . 3 1 4 . HB2 H 0.029 -2.365 3.910 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB2 . . . . . . . . . c50202_6yfy 1 . 5 . 6074 . 3 1 4 . HB3 H 0.306 -3.989 3.312 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HB3 . . . . . . . . . c50202_6yfy 1 . 5 . 6075 . 3 1 4 . HD2 H -0.960 -5.743 3.851 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD2 . . . . . . . . . c50202_6yfy 1 . 5 . 6076 . 3 1 4 . HD3 H -2.430 -5.076 3.152 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HD3 . . . . . . . . . c50202_6yfy 1 . 5 . 6077 . 3 1 4 . HE H -2.986 -5.330 5.805 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HE . . . . . . . . . c50202_6yfy 1 . 5 . 6078 . 3 1 4 . HG2 H -2.284 -3.138 4.546 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG2 . . . . . . . . . c50202_6yfy 1 . 5 . 6079 . 3 1 4 . HG3 H -0.931 -3.843 5.445 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HG3 . . . . . . . . . c50202_6yfy 1 . 5 . 6080 . 3 1 4 . HH11 H -3.780 -8.782 5.847 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH11 . . . . . . . . . c50202_6yfy 1 . 5 . 6081 . 3 1 4 . HH12 H -3.990 -7.215 6.705 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH12 . . . . . . . . . c50202_6yfy 1 . 5 . 6082 . 3 1 4 . HH21 H -2.659 -8.869 3.845 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH21 . . . . . . . . . c50202_6yfy 1 . 5 . 6083 . 3 1 4 . HH22 H -1.973 -7.362 3.137 . . . 1.0 . . . . . . . . . . . . B . 4 DAR HH22 . . . . . . . . . c50202_6yfy 1 . 5 . 6084 . 3 1 4 . N N -1.782 -1.598 2.174 . . . 1.0 . . . . . . . . . . . . B . 4 DAR N . . . . . . . . . c50202_6yfy 1 . 5 . 6085 . 3 1 4 . NE N -2.635 -5.855 5.051 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NE . . . . . . . . . c50202_6yfy 1 . 5 . 6086 . 3 1 4 . NH1 N -3.599 -7.762 5.911 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH1 . . . . . . . . . c50202_6yfy 1 . 5 . 6087 . 3 1 4 . NH2 N -2.474 -7.847 3.913 . . . 1.0 . . . . . . . . . . . . B . 4 DAR NH2 . . . . . . . . . c50202_6yfy 1 . 5 . 6088 . 3 1 4 . O O 0.743 -1.601 1.182 . . . 1.0 . . . . . . . . . . . . B . 4 DAR O . . . . . . . . . c50202_6yfy 1 . 5 . 6089 . 3 1 5 . C C 2.171 -5.068 -0.760 . . . 1.0 . . . . . . . . . . . . B . 5 28J C . . . . . . . . . c50202_6yfy 1 . 5 . 6090 . 3 1 5 . CA C 1.579 -3.695 -0.491 . . . 1.0 . . . . . . . . . . . . B . 5 28J CA . . . . . . . . . c50202_6yfy 1 . 5 . 6091 . 3 1 5 . CB C 1.194 -3.094 -1.855 . . . 1.0 . . . . . . . . . . . . B . 5 28J CB . . . . . . . . . c50202_6yfy 1 . 5 . 6092 . 3 1 5 . CD1 C 0.573 -0.905 -2.990 . . . 1.0 . . . . . . . . . . . . B . 5 28J CD1 . . . . . . . . . c50202_6yfy 1 . 5 . 6093 . 3 1 5 . CG1 C 0.808 -1.633 -1.693 . . . 1.0 . . . . . . . . . . . . B . 5 28J CG1 . . . . . . . . . c50202_6yfy 1 . 5 . 6094 . 3 1 5 . CG2 C 0.085 -3.899 -2.544 . . . 1.0 . . . . . . .