data_nef_c30683_6uxs save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30683_6uxs _Entry.Title ; Solution structure of the cyclic peptide 3.1B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-08 _Entry.Accession_date 2019-11-08 _Entry.Last_release_date 2020-05-07 _Entry.Original_release_date 2020-05-07 _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 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Solomon P. D. . . c30683_6uxs stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BET . c30683_6uxs Bromodomain . c30683_6uxs 'Cyclic Peptide' . c30683_6uxs Inhibitor . c30683_6uxs RAPID . c30683_6uxs TRANSCRIPTION . c30683_6uxs stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30683_6uxs spectral_peak_list 1 c30683_6uxs stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 111 c30683_6uxs 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 . . 2020-11-13 . original BMRB . c30683_6uxs stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6UXS 'BMRB Entry Tracking System' c30683_6uxs stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30683_6uxs _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 ; Solution structure of the cyclic peptide 3.1B ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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 P. Solomon P. D. . . c30683_6uxs 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30683_6uxs _Assembly.ID 1 _Assembly.Name 'Cyclic peptide 3.1B' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass 1916.273 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . ? c30683_6uxs 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent sing 1 entity_1 1 ACE 1 1 C 1 entity_1 1 TRP 2 2 N A 0 ACE C A 1 TRP N c30683_6uxs 1 2 covalent sing 1 entity_1 1 ACE 1 1 CH3 1 entity_1 1 CYS 15 15 SG A 0 ACE CH3 A 14 CYS SG c30683_6uxs 1 3 covalent sing 1 entity_1 1 ILE 5 5 C 1 entity_1 1 ALY 6 6 N A 4 ILE C A 5 ALY N c30683_6uxs 1 4 covalent sing 1 entity_1 1 ALY 6 6 C 1 entity_1 1 GLY 7 7 N A 5 ALY C A 6 GLY N c30683_6uxs 1 5 covalent sing 1 entity_1 1 GLY 7 7 C 1 entity_1 1 ALY 8 8 N A 6 GLY C A 7 ALY N c30683_6uxs 1 6 covalent sing 1 entity_1 1 ALY 8 8 C 1 entity_1 1 THR 9 9 N A 7 ALY C A 8 THR N c30683_6uxs 1 7 covalent sing 1 entity_1 1 THR 12 12 C 1 entity_1 1 ALY 13 13 N A 11 THR C A 12 ALY N c30683_6uxs 1 8 covalent sing 1 entity_1 1 ALY 13 13 C 1 entity_1 1 GLN 14 14 N A 12 ALY C A 13 GLN N c30683_6uxs 1 9 covalent sing 1 entity_1 1 CYS 15 15 C 1 entity_1 1 NH2 16 16 N A 14 CYS C A 15 NH2 N c30683_6uxs 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 1 TRP 2 2 H2 A 1 TRP H2 c30683_6uxs 1 2 1 CYS 15 15 HG A 14 CYS HG c30683_6uxs 1 3 1 ILE 5 5 OXT A 4 ILE OXT c30683_6uxs 1 4 1 ALY 6 6 H2 A 5 ALY H2 c30683_6uxs 1 5 1 ALY 6 6 OXT A 5 ALY OXT c30683_6uxs 1 6 1 GLY 7 7 H2 A 6 GLY H2 c30683_6uxs 1 7 1 GLY 7 7 OXT A 6 GLY OXT c30683_6uxs 1 8 1 ALY 8 8 H2 A 7 ALY H2 c30683_6uxs 1 9 1 ALY 8 8 OXT A 7 ALY OXT c30683_6uxs 1 10 1 THR 9 9 H2 A 8 THR H2 c30683_6uxs 1 11 1 THR 12 12 OXT A 11 THR OXT c30683_6uxs 1 12 1 ALY 13 13 H2 A 12 ALY H2 c30683_6uxs 1 13 1 ALY 13 13 OXT A 12 ALY OXT c30683_6uxs 1 14 1 GLN 14 14 H2 A 13 GLN H2 c30683_6uxs 1 15 1 CYS 15 15 OXT A 14 CYS OXT c30683_6uxs 1 stop_ loop_ _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID 1 1 1 ACE 1 A 0 ACE . start . c30683_6uxs 1 1 1 2 TRP 2 A 1 TRP . middle . c30683_6uxs 1 1 1 3 LYS 3 A 2 LYS . middle . c30683_6uxs 1 1 1 4 THR 4 A 3 THR . middle . c30683_6uxs 1 1 1 5 ILE 5 A 4 ILE . middle . c30683_6uxs 1 1 1 6 ALY 6 A 5 ALY . middle . c30683_6uxs 1 1 1 7 GLY 7 A 6 GLY . middle no c30683_6uxs 1 1 1 8 ALY 8 A 7 ALY . middle . c30683_6uxs 1 1 1 9 THR 9 A 8 THR . middle . c30683_6uxs 1 1 1 10 TRP 10 A 9 TRP . middle . c30683_6uxs 1 1 1 11 ARG 11 A 10 ARG . middle . c30683_6uxs 1 1 1 12 THR 12 A 11 THR . middle . c30683_6uxs 1 1 1 13 ALY 13 A 12 ALY . middle . c30683_6uxs 1 1 1 14 GLN 14 A 13 GLN . middle . c30683_6uxs 1 1 1 15 CYS 15 A 14 CYS . middle . c30683_6uxs 1 1 1 16 NH2 16 A 15 NH2 . end . c30683_6uxs 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30683_6uxs _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cyclic peptide 3.1B' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can XWKTIKGKTWRTKQCX _Entity.Polymer_seq_one_letter_code (ACE)WKTI(ALY)G(ALY)TWRT(ALY)QC(NH2) _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment ? _Entity.Mutation ? _Entity.EC_number ? _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1916.273 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ? _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ACE $chem_comp_ACE c30683_6uxs 1 2 1 TRP . c30683_6uxs 1 3 2 LYS . c30683_6uxs 1 4 3 THR . c30683_6uxs 1 5 4 ILE . c30683_6uxs 1 6 5 ALY $chem_comp_ALY c30683_6uxs 1 7 6 GLY . c30683_6uxs 1 8 7 ALY $chem_comp_ALY c30683_6uxs 1 9 8 THR . c30683_6uxs 1 10 9 TRP . c30683_6uxs 1 11 10 ARG . c30683_6uxs 1 12 11 THR . c30683_6uxs 1 13 12 ALY $chem_comp_ALY c30683_6uxs 1 14 13 GLN . c30683_6uxs 1 15 14 CYS . c30683_6uxs 1 16 15 NH2 $chem_comp_NH2 c30683_6uxs 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ACE 1 1 c30683_6uxs 1 . TRP 2 2 c30683_6uxs 1 . LYS 3 3 c30683_6uxs 1 . THR 4 4 c30683_6uxs 1 . ILE 5 5 c30683_6uxs 1 . ALY 6 6 c30683_6uxs 1 . GLY 7 7 c30683_6uxs 1 . ALY 8 8 c30683_6uxs 1 . THR 9 9 c30683_6uxs 1 . TRP 10 10 c30683_6uxs 1 . ARG 11 11 c30683_6uxs 1 . THR 12 12 c30683_6uxs 1 . ALY 13 13 c30683_6uxs 1 . GLN 14 14 c30683_6uxs 1 . CYS 15 15 c30683_6uxs 1 . NH2 16 16 c30683_6uxs 1 stop_ save_ save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c30683_6uxs _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . c30683_6uxs 1 stop_ save_ save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c30683_6uxs _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30683_6uxs 1 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c30683_6uxs _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 c30683_6uxs ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ACE CC=O SMILES_CANONICAL CACTVS 3.341 c30683_6uxs ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c30683_6uxs ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c30683_6uxs ACE O=CC SMILES ACDLabs 10.04 c30683_6uxs ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c30683_6uxs ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c30683_6uxs ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c30683_6uxs ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c30683_6uxs ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c30683_6uxs ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c30683_6uxs ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c30683_6uxs ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c30683_6uxs ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . c30683_6uxs ACE 2 . SING C CH3 no N 2 . c30683_6uxs ACE 3 . SING C H no N 3 . c30683_6uxs ACE 4 . SING CH3 H1 no N 4 . c30683_6uxs ACE 5 . SING CH3 H2 no N 5 . c30683_6uxs ACE 6 . SING CH3 H3 no N 6 . c30683_6uxs ACE stop_ save_ save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID c30683_6uxs _Chem_comp.ID ALY _Chem_comp.Provenance PDB _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ALY _Chem_comp.PDB_code ALY _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 K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _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 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _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 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30683_6uxs ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30683_6uxs ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 c30683_6uxs ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 c30683_6uxs ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 c30683_6uxs ALY 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)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30683_6uxs ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 c30683_6uxs ALY 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 OH OH OH OH . O . . N 0 . . . 1 no no . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . c30683_6uxs ALY CH CH CH CH . C . . N 0 . . . 1 no no . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . c30683_6uxs ALY CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . c30683_6uxs ALY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . c30683_6uxs ALY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . c30683_6uxs ALY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . c30683_6uxs ALY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . c30683_6uxs ALY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . c30683_6uxs ALY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . c30683_6uxs ALY N N N N . N . . N 0 . . . 1 no no . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . c30683_6uxs ALY C C C C . C . . N 0 . . . 1 no no . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . c30683_6uxs ALY O O O O . O . . N 0 . . . 1 no no . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . c30683_6uxs ALY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . c30683_6uxs ALY HH31 HH31 HH31 1HH3 . H . . N 0 . . . 0 no no . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . c30683_6uxs ALY HH32 HH32 HH32 2HH3 . H . . N 0 . . . 0 no no . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . c30683_6uxs ALY HH33 HH33 HH33 3HH3 . H . . N 0 . . . 0 no no . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . c30683_6uxs ALY HZ HZ HZ HNZ . H . . N 0 . . . 1 no no . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . c30683_6uxs ALY HE3 HE3 HE3 1HCE . H . . N 0 . . . 1 no no . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . c30683_6uxs ALY HE2 HE2 HE2 2HCE . H . . N 0 . . . 1 no no . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . c30683_6uxs ALY HD3 HD3 HD3 1HCD . H . . N 0 . . . 1 no no . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . c30683_6uxs ALY HD2 HD2 HD2 2HCD . H . . N 0 . . . 1 no no . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . c30683_6uxs ALY HG3 HG3 HG3 1HCG . H . . N 0 . . . 1 no no . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . c30683_6uxs ALY HG2 HG2 HG2 2HCG . H . . N 0 . . . 1 no no . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . c30683_6uxs ALY HB3 HB3 HB3 1HCB . H . . N 0 . . . 1 no no . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . c30683_6uxs ALY HB2 HB2 HB2 2HCB . H . . N 0 . . . 1 no no . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . c30683_6uxs ALY HCA HCA HCA HCA . H . . N 0 . . . 1 no no . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . c30683_6uxs ALY H H H 1HN . H . . N 0 . . . 1 no no . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . c30683_6uxs ALY H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . c30683_6uxs ALY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . c30683_6uxs ALY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB OH CH no N 1 . c30683_6uxs ALY 2 . SING CH CH3 no N 2 . c30683_6uxs ALY 3 . SING CH NZ no N 3 . c30683_6uxs ALY 4 . SING CH3 HH31 no N 4 . c30683_6uxs ALY 5 . SING CH3 HH32 no N 5 . c30683_6uxs ALY 6 . SING CH3 HH33 no N 6 . c30683_6uxs ALY 7 . SING NZ CE no N 7 . c30683_6uxs ALY 8 . SING NZ HZ no N 8 . c30683_6uxs ALY 9 . SING CE CD no N 9 . c30683_6uxs ALY 10 . SING CE HE3 no N 10 . c30683_6uxs ALY 11 . SING CE HE2 no N 11 . c30683_6uxs ALY 12 . SING CD CG no N 12 . c30683_6uxs ALY 13 . SING CD HD3 no N 13 . c30683_6uxs ALY 14 . SING CD HD2 no N 14 . c30683_6uxs ALY 15 . SING CG CB no N 15 . c30683_6uxs ALY 16 . SING CG HG3 no N 16 . c30683_6uxs ALY 17 . SING CG HG2 no N 17 . c30683_6uxs ALY 18 . SING CB CA no N 18 . c30683_6uxs ALY 19 . SING CB HB3 no N 19 . c30683_6uxs ALY 20 . SING CB HB2 no N 20 . c30683_6uxs ALY 21 . SING CA N no N 21 . c30683_6uxs ALY 22 . SING CA C no N 22 . c30683_6uxs ALY 23 . SING CA HCA no N 23 . c30683_6uxs ALY 24 . SING N H no N 24 . c30683_6uxs ALY 25 . SING N H2 no N 25 . c30683_6uxs ALY 26 . DOUB C O no N 26 . c30683_6uxs ALY 27 . SING C OXT no N 27 . c30683_6uxs ALY 28 . SING OXT HXT no N 28 . c30683_6uxs ALY stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30683_6uxs _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c30683_6uxs NH2 N SMILES ACDLabs 10.04 c30683_6uxs NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30683_6uxs NH2 [NH2] SMILES CACTVS 3.341 c30683_6uxs NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30683_6uxs NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30683_6uxs NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30683_6uxs NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30683_6uxs NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30683_6uxs NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30683_6uxs NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30683_6uxs NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30683_6uxs NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c30683_6uxs NH2 2 . SING N HN2 no N 2 . c30683_6uxs NH2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30683_6uxs _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '835 uM 3.1B, 10 mM Phosphate Buffer, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 3.1B 'natural abundance' . . 1 $entity_1 . . 835 . . uM . . . . c30683_6uxs 1 2 'Phosphate Buffer' 'natural abundance' . . . . . . 10 . . mM . . . . c30683_6uxs 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 c30683_6uxs _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0 . mM c30683_6uxs 1 pH 7.2 . pH c30683_6uxs 1 pressure 1 . atm c30683_6uxs 1 temperature 278 . K c30683_6uxs 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30683_6uxs _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.98.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c30683_6uxs 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . c30683_6uxs 1 'structure calculation' . c30683_6uxs 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30683_6uxs _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30683_6uxs 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . c30683_6uxs 2 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30683_6uxs _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30683_6uxs _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . c30683_6uxs 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30683_6uxs _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 COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30683_6uxs 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30683_6uxs 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30683_6uxs 1 4 1D no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30683_6uxs 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 c30683_6uxs _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30683_6uxs 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 c30683_6uxs _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Data_file_name merged_30683_6uxs.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D COSY' . . . c30683_6uxs 1 2 '2D TOCSY' . . . c30683_6uxs 1 3 '2D NOESY' . . . c30683_6uxs 1 4 1D . . . c30683_6uxs 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Original_PDB_strand_ID _Atom_chem_shift.Original_PDB_residue_no _Atom_chem_shift.Original_PDB_residue_name _Atom_chem_shift.Original_PDB_atom_name _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 1 1 1 1 ACE H1 H 1 3.469 0.002 . . . . . A 0 ACE H1 A 0 ACE H1 ; _Atom_chem_shift.Val 3.469 is not within expected range (avg 2.054, std 0.079, min 1.848, max 2.222, Z_score 17.91). The nearest aromatic ring 1:2:TRP:['CG', 'CD1', 'NE1', 'CE2', 'CD2'] is located at a distance of 5.2Å, and has an elevation angle of 23.3° with the ring plane. ; c30683_6uxs 1 2 1 1 1 1 ACE H2 H 1 3.353 0.005 . . . . . A 0 ACE H2 A 0 ACE H2 . c30683_6uxs 1 3 1 1 2 2 TRP H H 1 8.747 0.000 . . . . . A 1 TRP H A 1 TRP H . c30683_6uxs 1 4 1 1 2 2 TRP HA H 1 5.068 0.002 . . . . . A 1 TRP HA A 1 TRP HA . c30683_6uxs 1 5 1 1 2 2 TRP HB2 H 1 3.048 0.005 . . . . . A 1 TRP HB2 A 1 TRP HB2 . c30683_6uxs 1 6 1 1 2 2 TRP HB3 H 1 2.940 0.004 . . . . . A 1 TRP HB3 A 1 TRP HB3 . c30683_6uxs 1 7 1 1 2 2 TRP HD1 H 1 7.221 0.001 . . . . . A 1 TRP HD1 A 1 TRP HD1 . c30683_6uxs 1 8 1 1 2 2 TRP HE1 H 1 10.279 0.002 . . . . . A 1 TRP HE1 A 1 TRP HE1 . c30683_6uxs 1 9 1 1 2 2 TRP HE3 H 1 7.382 0.000 . . . . . A 1 TRP HE3 A 1 TRP HE3 . c30683_6uxs 1 10 1 1 2 2 TRP HH2 H 1 7.225 0.004 . . . . . A 1 TRP HH2 A 1 TRP HH2 . c30683_6uxs 1 11 1 1 2 2 TRP HZ2 H 1 7.478 0.000 . . . . . A 1 TRP HZ2 A 1 TRP HZ2 . c30683_6uxs 1 12 1 1 2 2 TRP HZ3 H 1 7.072 0.003 . . . . . A 1 TRP HZ3 A 1 TRP HZ3 . c30683_6uxs 1 13 1 1 3 3 LYS H H 1 9.031 0.002 . . . . . A 2 LYS H A 2 LYS H . c30683_6uxs 1 14 1 1 3 3 LYS HA H 1 4.538 0.001 . . . . . A 2 LYS HA A 2 LYS HA . c30683_6uxs 1 15 1 1 3 3 LYS HB2 H 1 1.184 0.005 . . . . . A 2 LYS HB2 A 2 LYS HB2 . c30683_6uxs 1 16 1 1 3 3 LYS HB3 H 1 1.026 0.004 . . . . . A 2 LYS HB3 A 2 LYS HB3 . c30683_6uxs 1 17 1 1 3 3 LYS HD2 H 1 1.580 0.005 . . . . . A 2 LYS HD2 A 2 LYS HD2 . c30683_6uxs 1 18 1 1 3 3 LYS HD3 H 1 1.580 0.005 . . . . . A 2 LYS HD3 A 2 LYS HD3 . c30683_6uxs 1 19 1 1 3 3 LYS HE2 H 1 2.888 0.005 . . . . . A 2 LYS HE2 A 2 LYS HE2 . c30683_6uxs 1 20 1 1 3 3 LYS HE3 H 1 2.888 0.005 . . . . . A 2 LYS HE3 A 2 LYS HE3 . c30683_6uxs 1 21 1 1 3 3 LYS HG2 H 1 1.108 0.006 . . . . . A 2 LYS HG2 A 2 LYS HG2 . c30683_6uxs 1 22 1 1 3 3 LYS HG3 H 1 1.110 0.007 . . . . . A 2 LYS HG3 A 2 LYS HG3 . c30683_6uxs 1 23 1 1 4 4 THR H H 1 8.451 0.003 . . . . . A 3 THR H A 3 THR H . c30683_6uxs 1 24 1 1 4 4 THR HA H 1 5.260 0.004 . . . . . A 3 THR HA A 3 THR HA . c30683_6uxs 1 25 1 1 4 4 THR HB H 1 3.873 0.005 . . . . . A 3 THR HB A 3 THR HB . c30683_6uxs 1 26 1 1 4 4 THR HG21 H 1 1.061 0.004 . . . . . A 3 THR HG21 A 3 THR HG21 . c30683_6uxs 1 27 1 1 4 4 THR HG22 H 1 1.061 0.004 . . . . . A 3 THR HG22 A 3 THR HG22 . c30683_6uxs 1 28 1 1 4 4 THR HG23 H 1 1.061 0.004 . . . . . A 3 THR HG23 A 3 THR HG23 . c30683_6uxs 1 29 1 1 5 5 ILE H H 1 9.035 0.003 . . . . . A 4 ILE H A 4 ILE H . c30683_6uxs 1 30 1 1 5 5 ILE HA H 1 4.323 0.004 . . . . . A 4 ILE HA A 4 ILE HA . c30683_6uxs 1 31 1 1 5 5 ILE HB H 1 1.939 0.003 . . . . . A 4 ILE HB A 4 ILE HB . c30683_6uxs 1 32 1 1 5 5 ILE HD11 H 1 0.897 0.004 . . . . . A 4 ILE HD11 A 4 ILE HD11 . c30683_6uxs 1 33 1 1 5 5 ILE HD12 H 1 0.897 0.004 . . . . . A 4 ILE HD12 A 4 ILE HD12 . c30683_6uxs 1 34 1 1 5 5 ILE HD13 H 1 0.897 0.004 . . . . . A 4 ILE HD13 A 4 ILE HD13 . c30683_6uxs 1 35 1 1 5 5 ILE HG12 H 1 1.544 0.004 . . . . . A 4 ILE HG12 A 4 ILE HG12 . c30683_6uxs 1 36 1 1 5 5 ILE HG13 H 1 1.190 0.006 . . . . . A 4 ILE HG13 A 4 ILE HG13 . c30683_6uxs 1 37 1 1 5 5 ILE HG21 H 1 0.971 0.003 . . . . . A 4 ILE HG21 A 4 ILE HG21 . c30683_6uxs 1 38 1 1 5 5 ILE HG22 H 1 0.971 0.003 . . . . . A 4 ILE HG22 A 4 ILE HG22 . c30683_6uxs 1 39 1 1 5 5 ILE HG23 H 1 0.971 0.003 . . . . . A 4 ILE HG23 A 4 ILE HG23 . c30683_6uxs 1 40 1 1 6 6 ALY H H 1 9.451 0.003 . . . . . A 5 ALY H A 5 ALY H ; _Atom_chem_shift.Val 9.451 is not within expected range (avg 8.191, std 0.267, min 7.867, max 8.82, Z_score 4.72). Neither aromatic ring nor paramagnetic/ferromagnetic atom were found in the vicinity. Please check for folded/aliased signals. ; c30683_6uxs 1 41 1 1 6 6 ALY HB2 H 1 1.961 0.002 . . . . . A 5 ALY HB2 A 5 ALY HB2 . c30683_6uxs 1 42 1 1 6 6 ALY HB3 H 1 1.834 0.004 . . . . . A 5 ALY HB3 A 5 ALY HB3 . c30683_6uxs 1 43 1 1 6 6 ALY HCA H 1 3.909 0.001 . . . . . A 5 ALY HCA A 5 ALY HCA . c30683_6uxs 1 44 1 1 6 6 ALY HD2 H 1 1.584 0.000 . . . . . A 5 ALY HD2 A 5 ALY HD2 . c30683_6uxs 1 45 1 1 6 6 ALY HD3 H 1 1.489 0.000 . . . . . A 5 ALY HD3 A 5 ALY HD3 . c30683_6uxs 1 46 1 1 6 6 ALY HE2 H 1 3.182 0.000 . . . . . A 5 ALY HE2 A 5 ALY HE2 . c30683_6uxs 1 47 1 1 6 6 ALY HG2 H 1 1.455 0.000 . . . . . A 5 ALY HG2 A 5 ALY HG2 . c30683_6uxs 1 48 1 1 6 6 ALY HG3 H 1 1.364 0.001 . . . . . A 5 ALY HG3 A 5 ALY HG3 . c30683_6uxs 1 49 1 1 6 6 ALY HZ H 1 8.126 0.002 . . . . . A 5 ALY HZ A 5 ALY HZ . c30683_6uxs 1 50 1 1 7 7 GLY H H 1 8.585 0.003 . . . . . A 6 GLY H A 6 GLY H . c30683_6uxs 1 51 1 1 7 7 GLY HA2 H 1 4.097 0.002 . . . . . A 6 GLY HA2 A 6 GLY HA2 . c30683_6uxs 1 52 1 1 7 7 GLY HA3 H 1 3.661 0.002 . . . . . A 6 GLY HA3 A 6 GLY HA3 . c30683_6uxs 1 53 1 1 8 8 ALY H H 1 8.136 0.003 . . . . . A 7 ALY H A 7 ALY H . c30683_6uxs 1 54 1 1 8 8 ALY HB2 H 1 1.887 0.002 . . . . . A 7 ALY HB2 A 7 ALY HB2 . c30683_6uxs 1 55 1 1 8 8 ALY HB3 H 1 1.817 0.004 . . . . . A 7 ALY HB3 A 7 ALY HB3 . c30683_6uxs 1 56 1 1 8 8 ALY HCA H 1 4.663 0.003 . . . . . A 7 ALY HCA A 7 ALY HCA . c30683_6uxs 1 57 1 1 8 8 ALY HD2 H 1 1.481 0.009 . . . . . A 7 ALY HD2 A 7 ALY HD2 . c30683_6uxs 1 58 1 1 8 8 ALY HD3 H 1 1.421 0.013 . . . . . A 7 ALY HD3 A 7 ALY HD3 . c30683_6uxs 1 59 1 1 8 8 ALY HE2 H 1 3.042 0.003 . . . . . A 7 ALY HE2 A 7 ALY HE2 . c30683_6uxs 1 60 1 1 8 8 ALY HE3 H 1 2.947 0.003 . . . . . A 7 ALY HE3 A 7 ALY HE3 . c30683_6uxs 1 61 1 1 8 8 ALY HG3 H 1 1.290 0.005 . . . . . A 7 ALY HG3 A 7 ALY HG3 . c30683_6uxs 1 62 1 1 8 8 ALY HZ H 1 7.826 0.002 . . . . . A 7 ALY HZ A 7 ALY HZ . c30683_6uxs 1 63 1 1 9 9 THR H H 1 8.655 0.003 . . . . . A 8 THR H A 8 THR H . c30683_6uxs 1 64 1 1 9 9 THR HA H 1 5.415 0.003 . . . . . A 8 THR HA A 8 THR HA . c30683_6uxs 1 65 1 1 9 9 THR HB H 1 3.979 0.003 . . . . . A 8 THR HB A 8 THR HB . c30683_6uxs 1 66 1 1 9 9 THR HG21 H 1 1.201 0.005 . . . . . A 8 THR HG21 A 8 THR HG21 . c30683_6uxs 1 67 1 1 9 9 THR HG22 H 1 1.201 0.005 . . . . . A 8 THR HG22 A 8 THR HG22 . c30683_6uxs 1 68 1 1 9 9 THR HG23 H 1 1.201 0.005 . . . . . A 8 THR HG23 A 8 THR HG23 . c30683_6uxs 1 69 1 1 10 10 TRP H H 1 9.210 0.006 . . . . . A 9 TRP H A 9 TRP H . c30683_6uxs 1 70 1 1 10 10 TRP HB2 H 1 3.300 0.004 . . . . . A 9 TRP HB2 A 9 TRP HB2 . c30683_6uxs 1 71 1 1 10 10 TRP HB3 H 1 3.181 0.003 . . . . . A 9 TRP HB3 A 9 TRP HB3 . c30683_6uxs 1 72 1 1 10 10 TRP HD1 H 1 7.003 0.005 . . . . . A 9 TRP HD1 A 9 TRP HD1 . c30683_6uxs 1 73 1 1 10 10 TRP HE1 H 1 10.215 0.002 . . . . . A 9 TRP HE1 A 9 TRP HE1 . c30683_6uxs 1 74 1 1 10 10 TRP HE3 H 1 7.469 0.001 . . . . . A 9 TRP HE3 A 9 TRP HE3 . c30683_6uxs 1 75 1 1 10 10 TRP HH2 H 1 7.137 0.003 . . . . . A 9 TRP HH2 A 9 TRP HH2 . c30683_6uxs 1 76 1 1 10 10 TRP HZ2 H 1 7.390 0.009 . . . . . A 9 TRP HZ2 A 9 TRP HZ2 . c30683_6uxs 1 77 1 1 10 10 TRP HZ3 H 1 7.055 0.003 . . . . . A 9 TRP HZ3 A 9 TRP HZ3 . c30683_6uxs 1 78 1 1 11 11 ARG H H 1 8.555 0.002 . . . . . A 10 ARG H A 10 ARG H . c30683_6uxs 1 79 1 1 11 11 ARG HA H 1 3.863 0.003 . . . . . A 10 ARG HA A 10 ARG HA . c30683_6uxs 1 80 1 1 11 11 ARG HB2 H 1 1.393 0.004 . . . . . A 10 ARG HB2 A 10 ARG HB2 . c30683_6uxs 1 81 1 1 11 11 ARG HB3 H 1 1.393 0.004 . . . . . A 10 ARG HB3 A 10 ARG HB3 . c30683_6uxs 1 82 1 1 11 11 ARG HD2 H 1 2.745 0.005 . . . . . A 10 ARG HD2 A 10 ARG HD2 . c30683_6uxs 1 83 1 1 11 11 ARG HD3 H 1 2.745 0.005 . . . . . A 10 ARG HD3 A 10 ARG HD3 . c30683_6uxs 1 84 1 1 11 11 ARG HE H 1 6.912 0.000 . . . . . A 10 ARG HE A 10 ARG HE . c30683_6uxs 1 85 1 1 11 11 ARG HG2 H 1 1.108 0.005 . . . . . A 10 ARG HG2 A 10 ARG HG2 . c30683_6uxs 1 86 1 1 11 11 ARG HG3 H 1 0.564 0.012 . . . . . A 10 ARG HG3 A 10 ARG HG3 . c30683_6uxs 1 87 1 1 12 12 THR H H 1 8.357 0.003 . . . . . A 11 THR H A 11 THR H . c30683_6uxs 1 88 1 1 12 12 THR HA H 1 4.462 0.006 . . . . . A 11 THR HA A 11 THR HA . c30683_6uxs 1 89 1 1 12 12 THR HB H 1 4.479 0.002 . . . . . A 11 THR HB A 11 THR HB . c30683_6uxs 1 90 1 1 12 12 THR HG21 H 1 1.121 0.002 . . . . . A 11 THR HG21 A 11 THR HG21 . c30683_6uxs 1 91 1 1 12 12 THR HG22 H 1 1.121 0.002 . . . . . A 11 THR HG22 A 11 THR HG22 . c30683_6uxs 1 92 1 1 12 12 THR HG23 H 1 1.121 0.002 . . . . . A 11 THR HG23 A 11 THR HG23 . c30683_6uxs 1 93 1 1 13 13 ALY H H 1 8.878 0.003 . . . . . A 12 ALY H A 12 ALY H . c30683_6uxs 1 94 1 1 13 13 ALY HB3 H 1 1.762 0.005 . . . . . A 12 ALY HB3 A 12 ALY HB3 . c30683_6uxs 1 95 1 1 13 13 ALY HCA H 1 4.013 0.003 . . . . . A 12 ALY HCA A 12 ALY HCA . c30683_6uxs 1 96 1 1 13 13 ALY HD2 H 1 1.474 0.005 . . . . . A 12 ALY HD2 A 12 ALY HD2 . c30683_6uxs 1 97 1 1 13 13 ALY HE2 H 1 3.133 0.002 . . . . . A 12 ALY HE2 A 12 ALY HE2 . c30683_6uxs 1 98 1 1 13 13 ALY HG3 H 1 1.348 0.003 . . . . . A 12 ALY HG3 A 12 ALY HG3 . c30683_6uxs 1 99 1 1 13 13 ALY HZ H 1 8.041 0.002 . . . . . A 12 ALY HZ A 12 ALY HZ . c30683_6uxs 1 100 1 1 14 14 GLN H H 1 8.412 0.002 . . . . . A 13 GLN H A 13 GLN H . c30683_6uxs 1 101 1 1 14 14 GLN HA H 1 4.160 0.003 . . . . . A 13 GLN HA A 13 GLN HA . c30683_6uxs 1 102 1 1 14 14 GLN HB2 H 1 2.055 0.004 . . . . . A 13 GLN HB2 A 13 GLN HB2 . c30683_6uxs 1 103 1 1 14 14 GLN HB3 H 1 2.024 0.005 . . . . . A 13 GLN HB3 A 13 GLN HB3 . c30683_6uxs 1 104 1 1 14 14 GLN HE21 H 1 6.959 0.001 . . . . . A 13 GLN HE21 A 13 GLN HE21 . c30683_6uxs 1 105 1 1 14 14 GLN HE22 H 1 7.689 0.002 . . . . . A 13 GLN HE22 A 13 GLN HE22 . c30683_6uxs 1 106 1 1 14 14 GLN HG2 H 1 2.466 0.005 . . . . . A 13 GLN HG2 A 13 GLN HG2 . c30683_6uxs 1 107 1 1 14 14 GLN HG3 H 1 2.378 0.003 . . . . . A 13 GLN HG3 A 13 GLN HG3 . c30683_6uxs 1 108 1 1 15 15 CYS H H 1 7.692 0.005 . . . . . A 14 CYS H A 14 CYS H . c30683_6uxs 1 109 1 1 15 15 CYS HA H 1 4.445 0.002 . . . . . A 14 CYS HA A 14 CYS HA . c30683_6uxs 1 110 1 1 15 15 CYS HB2 H 1 2.941 0.003 . . . . . A 14 CYS HB2 A 14 CYS HB2 . c30683_6uxs 1 111 1 1 15 15 CYS HB3 H 1 2.749 0.004 . . . . . A 14 CYS HB3 A 14 CYS HB3 . c30683_6uxs 1 stop_ save_ save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30683_6uxs _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H #INAME 2 H #CYANAFORMAT HH 1 3.664 4.097 1 T 4.827e+06 0.00e+00 a 0 HA3.6 HA2.6 2 4.098 3.661 1 T 2.245e+06 0.00e+00 a 0 HA2.6 HA3.6 3 8.588 3.662 1 T 1.890e+06 0.00e+00 a 0 H.6 HA3.6 4 8.587 4.094 1 T 1.423e+06 0.00e+00 a 0 H.6 HA2.6 5 8.139 3.664 1 T 4.896e+05 0.00e+00 a 0 H.7 HA3.6 6 8.137 4.094 1 T 6.289e+05 0.00e+00 a 0 H.7 HA2.6 7 8.143 4.673 1 T 5.397e+05 0.00e+00 a 0 H.7 HA.7 12 7.828 2.950 1 T 2.146e+05 0.00e+00 a 0 QZ.7 HE3.7 13 7.822 3.045 1 T 2.440e+05 0.00e+00 a 0 QZ.7 HE2.7 14 8.138 1.888 1 T 9.306e+05 0.00e+00 a 0 H.7 HB2.7 15 8.137 1.817 1 T 1.240e+06 0.00e+00 a 0 H.7 HB3.7 16 7.828 1.284 1 T 1.502e+05 0.00e+00 a 0 QZ.7 HG3.7 17 7.829 1.418 1 T 3.528e+05 0.00e+00 a 0 QZ.7 HD3.7 18 8.137 1.292 1 T 2.561e+05 0.00e+00 a 0 H.7 HG3.7 19 8.135 1.419 1 T 4.362e+05 0.00e+00 a 0 H.7 HD3.7 20 3.041 1.296 1 T 2.132e+05 0.00e+00 a 0 HE2.7 HG3.7 23 2.944 1.293 1 T 2.073e+05 0.00e+00 a 0 HE3.7 HG2.7 26 3.041 2.945 1 T 2.031e+07 0.00e+00 a 0 HE2.7 HE3.7 27 2.941 3.039 1 T 1.871e+07 0.00e+00 a 0 HE3.7 HE2.7 28 1.289 3.041 1 T 2.351e+05 0.00e+00 a 0 HG3.7 HE2.7 29 1.290 2.944 1 T 2.395e+05 0.00e+00 a 0 HG2.7 HE3.7 33 1.462 3.040 1 T 3.989e+05 0.00e+00 a 0 HD3.7 HE2.7 34 1.411 3.041 1 T 5.625e+05 0.00e+00 a 0 HD3.7 HE2.7 36 1.472 2.945 1 T 4.073e+05 0.00e+00 a 0 HD2.7 HE3.7 37 1.416 2.946 1 T 6.019e+05 0.00e+00 a 0 HD3.7 HE3.7 38 1.889 4.661 1 T 7.939e+05 0.00e+00 a 0 HB2.7 HA.7 39 1.818 4.661 1 T 9.381e+05 0.00e+00 a 0 HB3.7 HA.7 40 1.480 4.662 1 T 2.023e+05 0.00e+00 a 0 HD2.7 HA.7 41 1.414 4.661 1 T 6.116e+05 0.00e+00 a 0 HD3.7 HA.7 42 1.288 4.661 1 T 3.714e+05 0.00e+00 a 0 HG3.7 HA.7 43 1.199 5.414 1 T 7.563e+05 0.00e+00 a 0 QG2.8 HA.8 43 1.199 5.414 1 T 7.563e+05 0.00e+00 a 0 HG1.8 HA.8 44 1.199 3.977 1 T 3.396e+06 0.00e+00 a 0 QG2.8 HB.8 44 1.199 3.977 1 T 3.396e+06 0.00e+00 a 0 HG1.8 HB.8 45 3.984 5.412 1 T 3.179e+05 0.00e+00 a 0 HB.8 HA.8 46 3.975 1.205 1 T 1.704e+06 0.00e+00 a 0 HB.8 HG1.8 46 3.975 1.205 1 T 1.704e+06 0.00e+00 a 0 HB.8 QG2.8 47 8.660 1.202 1 T 3.057e+05 0.00e+00 a 0 H.8 HG1.8 47 8.660 1.202 1 T 3.057e+05 0.00e+00 a 0 H.8 QG2.8 48 8.655 3.979 1 T 6.965e+05 0.00e+00 a 0 H.8 HB.8 49 8.660 5.414 1 T 1.346e+05 0.00e+00 a 0 H.8 HA.8 50 8.655 4.661 1 T 1.961e+06 0.00e+00 a 0 H.8 HA.7 51 8.656 1.889 1 T 2.178e+05 0.00e+00 a 0 H.8 HB2.7 52 8.655 1.817 1 T 1.939e+05 0.00e+00 a 0 H.8 HB3.7 53 8.655 1.415 1 T 1.804e+05 0.00e+00 a 0 H.8 HD3.7 54 8.656 1.289 1 T 1.434e+05 0.00e+00 a 0 H.8 HG3.7 55 3.308 3.179 1 T 8.844e+06 0.00e+00 a 0 HB2.9 HB3.9 56 3.186 3.296 1 T 9.730e+06 0.00e+00 a 0 HB3.9 HB2.9 57 10.214 7.138 1 T 1.368e+05 0.00e+00 a 0 HE1.9 HH2.9 58 10.215 7.005 1 T 2.633e+06 0.00e+00 a 0 HE1.9 HD1.9 59 10.215 7.384 1 T 1.397e+06 0.00e+00 a 0 HE1.9 HZ2.9 60 9.219 7.470 1 T 1.024e+05 0.00e+00 a 0 H.9 HE3.9 61 9.204 7.382 1 T 5.343e+04 0.00e+00 a 0 H.9 HZ2.9 62 7.050 7.470 1 T 3.367e+06 0.00e+00 a 0 HZ3.9 HE3.9 64 7.054 7.142 1 T 4.146e+06 0.00e+00 a 0 HZ3.9 HH2.9 65 7.137 7.055 1 T 4.145e+06 0.00e+00 a 0 HH2.9 HZ3.9 67 7.469 3.298 1 T 1.496e+06 0.00e+00 a 0 HE3.9 HB2.9 68 7.468 3.181 1 T 9.160e+05 0.00e+00 a 0 HE3.9 HB3.9 69 7.001 3.296 1 T 1.126e+06 0.00e+00 a 0 HD1.9 HB2.9 70 7.001 3.179 1 T 1.852e+06 0.00e+00 a 0 HD1.9 HB3.9 71 7.059 3.300 1 T 1.338e+05 0.00e+00 a 0 HZ3.9 HB2.9 72 7.058 3.177 1 T 9.804e+04 0.00e+00 a 0 HZ3.9 HB3.9 78 9.212 3.181 1 T 1.108e+05 0.00e+00 a 0 H.9 HB3.9 79 9.211 3.300 1 T 7.366e+04 0.00e+00 a 0 H.9 HB2.9 81 9.218 3.979 1 T 4.899e+04 0.00e+00 a 0 H.9 HB.8 82 3.861 2.743 1 T 1.782e+05 0.00e+00 a 0 HA.10 HD2.10 83 8.557 0.585 1 T 6.695e+05 0.00e+00 a 0 H.10 HG3.10 84 8.557 1.390 1 T 1.160e+06 0.00e+00 a 0 H.10 HB2.10 85 8.555 2.740 1 T 1.553e+05 0.00e+00 a 0 H.10 HD2.10 87 8.557 3.296 1 T 6.628e+05 0.00e+00 a 0 H.10 HB2.9 88 8.557 3.180 1 T 9.541e+05 0.00e+00 a 0 H.10 HB3.9 89 8.555 3.862 1 T 5.426e+05 0.00e+00 a 0 H.10 HA.10 90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HA.11 HG1.11 90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HA.11 QG2.11 90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HB.11 HG1.11 90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HB.11 QG2.11 91 1.121 4.459 1 T 4.623e+06 0.00e+00 a 0 QG2.11 HA.11 91 1.121 4.459 1 T 4.623e+06 0.00e+00 a 0 HG1.11 HA.11 92 1.122 4.481 1 T 5.612e+06 0.00e+00 a 0 HG1.11 HB.11 92 1.122 4.481 1 T 5.612e+06 0.00e+00 a 0 QG2.11 HB.11 93 8.358 1.119 1 T 2.042e+06 0.00e+00 a 0 H.11 HG1.11 93 8.358 1.119 1 T 2.042e+06 0.00e+00 a 0 H.11 QG2.11 94 8.360 3.861 1 T 2.249e+06 0.00e+00 a 0 H.11 HA.10 96 8.362 4.460 1 T 1.041e+06 0.00e+00 a 0 H.11 HA.11 97 8.362 4.478 1 T 1.041e+06 0.00e+00 a 0 H.11 HB.11 98 8.882 1.762 1 T 3.350e+05 0.00e+00 a 0 H.12 HB2.12 100 8.881 1.348 1 T 1.014e+05 0.00e+00 a 0 H.12 HG2.12 101 8.880 4.010 1 T 1.540e+05 0.00e+00 a 0 H.12 HA.12 102 8.880 4.458 1 T 4.556e+05 0.00e+00 a 0 H.12 HA.11 103 8.879 4.478 1 T 5.779e+05 0.00e+00 a 0 H.12 HB.11 104 8.045 1.346 1 T 1.620e+05 0.00e+00 a 0 QZ.12 HG2.12 105 8.043 3.133 1 T 1.272e+05 0.00e+00 a 0 QZ.12 HE2.12 106 4.015 3.129 1 T 4.292e+04 0.00e+00 a 0 HA.12 HE3.12 107 1.760 4.012 1 T 1.812e+06 0.00e+00 a 0 HB2.12 HA.12 108 1.476 4.010 1 T 3.419e+05 0.00e+00 a 0 HD3.12 HA.12 109 1.344 4.011 1 T 5.803e+05 0.00e+00 a 0 HG2.12 HA.12 110 1.345 3.134 1 T 5.983e+05 0.00e+00 a 0 HG2.12 HE3.12 111 1.474 1.353 1 T 1.098e+07 0.00e+00 a 0 HD2.12 HG2.12 112 1.350 1.465 1 T 1.027e+07 0.00e+00 a 0 HG3.12 HD2.12 113 4.016 1.753 1 T 1.976e+06 0.00e+00 a 0 HA.12 HB2.12 114 4.013 1.473 1 T 3.147e+05 0.00e+00 a 0 HA.12 HD2.12 115 4.012 1.346 1 T 7.298e+05 0.00e+00 a 0 HA.12 HG3.12 116 8.410 2.464 1 T 1.231e+05 0.00e+00 a 0 H.13 HG2.13 117 8.414 2.378 1 T 1.326e+05 0.00e+00 a 0 H.13 HG3.13 118 8.413 2.026 1 T 6.451e+05 0.00e+00 a 0 H.13 HB3.13 119 8.414 2.054 1 T 6.244e+05 0.00e+00 a 0 H.13 HB2.13 120 8.415 4.158 1 T 3.403e+05 0.00e+00 a 0 H.13 HA.13 121 8.411 4.009 1 T 3.182e+05 0.00e+00 a 0 H.13 HA.12 122 2.469 4.157 1 T 3.582e+05 0.00e+00 a 0 HG2.13 HA.13 123 2.383 4.160 1 T 5.712e+05 0.00e+00 a 0 HG3.13 HA.13 124 2.062 4.159 1 T 1.407e+06 0.00e+00 a 0 HB2.13 HA.13 125 2.024 4.163 1 T 1.097e+06 0.00e+00 a 0 HB3.13 HA.13 126 2.376 2.459 1 T 8.866e+06 0.00e+00 a 0 HG3.13 HG2.13 127 2.465 2.380 1 T 9.646e+06 0.00e+00 a 0 HG2.13 HG3.13 128 2.049 2.462 1 T 1.136e+06 0.00e+00 a 0 HB2.13 HG2.13 129 2.021 2.463 1 T 6.837e+05 0.00e+00 a 0 HB3.13 HG2.13 130 2.053 2.376 1 T 9.666e+05 0.00e+00 a 0 HB2.13 HG3.13 132 2.018 2.377 1 T 1.023e+06 0.00e+00 a 0 HB3.13 HG3.13 133 2.942 4.444 1 T 1.020e+06 0.00e+00 a 0 HB2.14 HA.14 134 2.750 4.442 1 T 1.471e+06 0.00e+00 a 0 HB3.14 HA.14 135 2.747 2.938 1 T 7.686e+06 0.00e+00 a 0 HB3.14 HB2.14 136 7.697 2.940 1 T 2.187e+05 0.00e+00 a 0 H.14 HB2.14 137 7.682 2.751 1 T 1.392e+05 0.00e+00 a 0 H.14 HB3.14 140 7.697 4.446 1 T 1.128e+05 0.00e+00 a 0 H.14 HA.14 141 7.689 4.158 1 T 1.978e+05 0.00e+00 a 0 H.14 HA.13 142 9.456 3.909 1 T 3.912e+05 0.00e+00 a 0 H.5 HA.5 143 8.124 3.182 1 T 1.620e+05 0.00e+00 a 0 QZ.5 HE2.5 144 8.130 1.961 1 T 2.793e+05 0.00e+00 a 0 QZ.5 HB2.5 145 8.130 1.489 1 T 2.310e+05 0.00e+00 a 0 QZ.5 HD3.5 146 8.124 1.364 1 T 1.803e+05 0.00e+00 a 0 QZ.5 HG3.5 147 3.911 1.957 1 T 1.319e+06 0.00e+00 a 0 HA.5 HB2.5 148 3.908 1.836 1 T 9.336e+05 0.00e+00 a 0 HA.5 HB3.5 149 1.960 3.909 1 T 1.100e+06 0.00e+00 a 0 HB2.5 HA.5 150 1.827 3.910 1 T 8.248e+05 0.00e+00 a 0 HB3.5 HA.5 151 1.575 3.910 1 T 1.820e+05 0.00e+00 a 0 - HA.5 154 8.587 3.908 1 T 1.562e+06 0.00e+00 a 0 H.6 HA.5 155 0.898 1.937 1 T 1.031e+06 0.00e+00 a 0 QD1.4 HB.4 156 0.895 1.540 1 T 1.895e+06 0.00e+00 a 0 QD1.4 HG12.4 157 0.893 1.189 1 T 2.961e+06 0.00e+00 a 0 QD1.4 HG13.4 158 0.971 1.934 1 T 3.567e+06 0.00e+00 a 0 QG2.4 HB.4 159 0.970 1.543 1 T 1.335e+06 0.00e+00 a 0 QG2.4 HG12.4 160 1.550 4.323 1 T 3.995e+05 0.00e+00 a 0 HG12.4 HA.4 161 0.971 4.323 1 T 1.568e+06 0.00e+00 a 0 QG2.4 HA.4 162 0.897 4.324 1 T 7.582e+05 0.00e+00 a 0 QD1.4 HA.4 163 1.943 4.326 1 T 6.714e+05 0.00e+00 a 0 HB.4 HA.4 164 9.038 4.325 1 T 5.020e+05 0.00e+00 a 0 H.4 HA.4 166 9.455 4.323 1 T 5.192e+05 0.00e+00 a 0 H.5 HA.4 167 9.037 1.936 1 T 5.865e+05 0.00e+00 a 0 H.4 HB.4 168 9.033 1.543 1 T 2.619e+05 0.00e+00 a 0 H.4 HG12.4 169 9.033 1.193 1 T 7.740e+05 0.00e+00 a 0 H.4 HG13.4 170 9.037 0.975 1 T 4.066e+05 0.00e+00 a 0 H.4 QG2.4 171 9.041 0.900 1 T 1.106e+05 0.00e+00 a 0 H.4 QD1.4 172 2.746 3.861 1 T 3.485e+05 0.00e+00 a 0 HD3.10 HA.10 173 1.058 3.867 1 T 3.635e+06 0.00e+00 a 0 QG2.3 HB.3 173 1.058 3.867 1 T 3.635e+06 0.00e+00 a 0 HG1.3 HB.3 174 8.449 3.871 1 T 1.207e+06 0.00e+00 a 0 H.3 HB.3 175 8.456 5.262 1 T 3.544e+05 0.00e+00 a 0 H.3 HA.3 176 3.880 5.259 1 T 3.056e+05 0.00e+00 a 0 HB.3 HA.3 177 1.057 5.254 1 T 1.173e+06 0.00e+00 a 0 HG1.3 HA.3 177 1.057 5.254 1 T 1.173e+06 0.00e+00 a 0 QG2.3 HA.3 178 1.198 5.261 1 T 2.453e+05 0.00e+00 a 0 HG1.8 HA.3 178 1.198 5.261 1 T 2.453e+05 0.00e+00 a 0 QG2.8 HA.3 179 1.057 5.412 1 T 2.181e+05 0.00e+00 a 0 QG2.3 HA.8 179 1.057 5.412 1 T 2.181e+05 0.00e+00 a 0 HG1.3 HA.8 180 3.868 1.063 1 T 2.329e+06 0.00e+00 a 0 HB.3 QG2.3 180 3.868 1.063 1 T 2.329e+06 0.00e+00 a 0 HB.3 HG1.3 181 8.453 1.061 1 T 7.688e+05 0.00e+00 a 0 H.3 HG1.3 181 8.453 1.061 1 T 7.688e+05 0.00e+00 a 0 H.3 QG2.3 183 1.578 4.535 1 T 1.500e+05 0.00e+00 a 0 HD3.2 HA.2 184 1.180 4.535 1 T 5.325e+05 0.00e+00 a 0 HB2.2 HA.2 185 1.021 4.537 1 T 4.003e+05 0.00e+00 a 0 HB3.2 HA.2 186 9.032 1.116 1 T 8.019e+05 0.00e+00 a 0 H.2 HG3.2 189 9.031 4.539 1 T 5.513e+05 0.00e+00 a 0 H.2 HA.2 190 9.035 3.868 1 T 4.252e+05 0.00e+00 a 0 H.2 HA.10 191 8.452 4.535 1 T 3.598e+06 0.00e+00 a 0 - - 192 10.280 7.219 1 T 2.585e+06 0.00e+00 a 0 HE1.1 HD1.1 193 10.280 7.478 1 T 1.069e+06 0.00e+00 a 0 HE1.1 HZ2.1 194 7.227 7.478 1 T 3.905e+06 0.00e+00 a 0 HH2.1 HZ2.1 195 7.230 7.075 1 T 3.932e+06 0.00e+00 a 0 HH2.1 HZ3.1 196 7.072 7.225 1 T 3.694e+06 0.00e+00 a 0 HZ3.1 HH2.1 197 7.067 7.382 1 T 4.291e+06 0.00e+00 a 0 HZ3.1 HE3.1 198 7.137 7.405 1 T 4.464e+06 0.00e+00 a 0 HH2.9 HZ2.9 199 8.751 3.047 1 T 7.685e+05 0.00e+00 a 0 H.1 HB2.1 200 8.752 2.940 1 T 1.764e+06 0.00e+00 a 0 H.1 HB3.1 201 7.221 3.047 1 T 1.054e+06 0.00e+00 a 0 HH2.1 HB2.1 201 7.221 3.047 1 T 1.054e+06 0.00e+00 a 0 HD1.1 HB2.1 202 7.221 2.939 1 T 1.889e+06 0.00e+00 a 0 HD1.1 HB3.1 202 7.221 2.939 1 T 1.889e+06 0.00e+00 a 0 HH2.1 HB3.1 203 7.382 3.051 1 T 1.740e+06 0.00e+00 a 0 HE3.1 HB2.1 204 7.382 2.941 1 T 9.866e+05 0.00e+00 a 0 HE3.1 HB3.1 205 9.032 3.048 1 T 5.373e+05 0.00e+00 a 0 H.2 - 206 9.035 2.935 1 T 3.093e+05 0.00e+00 a 0 H.2 - 207 7.067 3.046 1 T 1.825e+05 0.00e+00 a 0 - - 208 7.068 2.941 1 T 1.324e+05 0.00e+00 a 0 - - 209 8.752 2.749 1 T 1.960e+05 0.00e+00 a 0 - - 210 8.751 3.466 1 T 2.401e+06 0.00e+00 a 0 - - 211 8.751 3.355 1 T 1.654e+06 0.00e+00 a 0 - - 212 8.749 1.192 1 T 6.964e+04 0.00e+00 a 0 - - 213 8.752 1.119 1 T 1.005e+05 0.00e+00 a 0 - - 214 8.747 3.858 1 T 5.218e+04 0.00e+00 a 0 - - 215 8.754 4.446 1 T 5.488e+04 0.00e+00 a 0 - - 216 10.280 3.047 1 T 5.322e+04 0.00e+00 a 0 - - 217 10.281 2.938 1 T 1.522e+05 0.00e+00 a 0 - - 218 3.872 3.051 1 T 7.595e+04 0.00e+00 a 0 - - 219 3.864 2.935 1 T 8.809e+04 0.00e+00 a 0 - - 220 9.030 3.297 1 T 3.779e+04 0.00e+00 a 0 - - 221 9.034 3.181 1 T 5.810e+04 0.00e+00 a 0 - - 222 9.043 1.820 1 T 8.382e+04 0.00e+00 a 0 - - 223 9.036 1.060 1 T 9.964e+05 0.00e+00 a 0 H.4 - 224 8.451 1.113 1 T 5.831e+05 0.00e+00 a 0 - - 225 7.471 1.116 1 T 2.879e+05 0.00e+00 a 0 - - 226 7.404 1.119 1 T 4.898e+05 0.00e+00 a 0 - - 227 7.270 1.109 1 T 7.387e+04 0.00e+00 a 0 - - 228 7.222 1.114 1 T 1.862e+05 0.00e+00 a 0 - - 229 7.138 1.118 1 T 2.894e+05 0.00e+00 a 0 - - 230 7.059 1.122 1 T 3.351e+05 0.00e+00 a 0 - - 231 7.001 1.120 1 T 6.086e+05 0.00e+00 a 0 - - 232 7.406 1.580 1 T 5.665e+05 0.00e+00 a 0 - - 233 4.531 1.182 1 T 1.795e+05 0.00e+00 a 0 - - 234 4.536 1.115 1 T 2.753e+05 0.00e+00 a 0 - - 235 4.531 1.022 1 T 1.168e+05 0.00e+00 a 0 - - 236 4.321 0.969 1 T 5.782e+05 0.00e+00 a 0 - - 237 4.321 0.899 1 T 2.607e+05 0.00e+00 a 0 - - 238 4.325 1.062 1 T 8.070e+04 0.00e+00 a 0 - - 239 4.321 1.189 1 T 3.715e+05 0.00e+00 a 0 - - 240 4.321 1.542 1 T 2.309e+05 0.00e+00 a 0 - - 241 4.330 1.931 1 T 4.215e+05 0.00e+00 a 0 - - 242 4.156 2.047 1 T 1.631e+06 0.00e+00 a 0 - - 243 4.156 2.460 1 T 2.316e+05 0.00e+00 a 0 - - 244 4.158 2.374 1 T 4.446e+05 0.00e+00 a 0 - - 245 4.448 2.747 1 T 4.231e+05 0.00e+00 a 0 - - 246 3.676 1.058 1 T 3.223e+05 0.00e+00 a 0 - - 247 3.647 1.058 1 T 2.761e+05 0.00e+00 a 0 - - 248 3.860 0.554 1 T 4.997e+05 0.00e+00 a 0 - - 249 3.823 0.485 1 T 3.864e+04 0.00e+00 a 0 - - 250 2.744 0.549 1 T 1.664e+06 0.00e+00 a 0 - - 251 2.939 0.541 1 T 2.864e+05 0.00e+00 a 0 - - 252 2.743 1.105 1 T 1.815e+06 0.00e+00 a 0 - - 262 2.937 3.466 1 T 5.537e+05 0.00e+00 a 0 - - 263 2.752 3.467 1 T 8.442e+05 0.00e+00 a 0 - - 264 2.936 3.353 1 T 4.259e+05 0.00e+00 a 0 - - 265 2.749 3.354 1 T 4.791e+05 0.00e+00 a 0 - - 266 7.688 2.465 1 T 2.686e+05 0.00e+00 a 0 HE22.13 HG2.13 267 7.689 2.375 1 T 4.115e+05 0.00e+00 a 0 HE22.13 HG3.13 268 7.139 1.935 1 T 7.484e+05 0.00e+00 a 0 - - 269 7.056 1.934 1 T 8.656e+05 0.00e+00 a 0 - - 270 7.001 1.935 1 T 4.164e+05 0.00e+00 a 0 - - 271 7.057 1.815 1 T 3.833e+05 0.00e+00 a 0 - - 272 7.469 1.890 1 T 3.289e+05 0.00e+00 a 0 - - 273 7.469 1.810 1 T 2.523e+05 0.00e+00 a 0 - - 274 7.407 0.973 1 T 1.605e+05 0.00e+00 a 0 - - 275 7.138 0.971 1 T 4.503e+05 0.00e+00 a 0 - - 276 7.056 0.970 1 T 3.774e+05 0.00e+00 a 0 - - 277 7.001 0.970 1 T 1.576e+05 0.00e+00 a 0 - - 278 7.407 0.899 1 T 2.605e+05 0.00e+00 a 0 - - 279 7.139 0.899 1 T 5.862e+05 0.00e+00 a 0 - - 280 7.057 0.900 1 T 2.335e+05 0.00e+00 a 0 - - 281 7.001 0.898 1 T 2.200e+05 0.00e+00 a 0 - - 282 7.468 1.286 1 T 6.792e+05 0.00e+00 a 0 - - 283 7.384 1.198 1 T 2.859e+06 0.00e+00 a 0 - - 284 7.224 1.198 1 T 6.407e+05 0.00e+00 a 0 - - 285 7.071 1.199 1 T 1.215e+06 0.00e+00 a 0 - - 286 7.470 1.193 1 T 2.764e+05 0.00e+00 a 0 - - 287 7.139 1.190 1 T 3.709e+05 0.00e+00 a 0 - - 288 7.001 1.191 1 T 1.708e+05 0.00e+00 a 0 - - 289 7.470 1.409 1 T 3.884e+05 0.00e+00 a 0 - - 290 7.138 1.543 1 T 5.993e+05 0.00e+00 a 0 - - 291 7.056 1.542 1 T 3.558e+05 0.00e+00 a 0 - - 292 7.481 2.742 1 T 6.153e+05 0.00e+00 a 0 - - 293 7.379 2.741 1 T 2.709e+05 0.00e+00 a 0 - - 294 7.271 2.745 1 T 1.784e+05 0.00e+00 a 0 - - 295 7.222 2.745 1 T 5.196e+05 0.00e+00 a 0 - - 296 7.382 3.982 1 T 3.167e+05 0.00e+00 a 0 - - 297 7.382 3.861 1 T 3.970e+05 0.00e+00 a 0 - - 298 7.221 3.465 1 T 5.023e+05 0.00e+00 a 0 - - 299 7.219 3.352 1 T 2.445e+05 0.00e+00 a 0 - - 300 10.213 1.120 1 T 7.482e+05 0.00e+00 a 0 - - 301 10.214 4.469 1 T 4.516e+05 0.00e+00 a 0 - - 302 8.138 1.060 1 T 3.127e+05 0.00e+00 a 0 - - 303 8.134 0.971 1 T 1.952e+05 0.00e+00 a 0 - - 304 8.588 1.057 1 T 5.372e+05 0.00e+00 a 0 - - 305 8.360 0.548 1 T 2.906e+05 0.00e+00 a 0 - - 306 8.359 1.389 1 T 2.541e+05 0.00e+00 a 0 - - 307 8.412 1.757 1 T 3.011e+05 0.00e+00 a 0 - - 308 7.830 1.789 1 T 4.128e+05 0.00e+00 a 0 - - 309 8.587 1.956 1 T 5.673e+05 0.00e+00 a 0 - - 310 8.587 1.826 1 T 4.762e+05 0.00e+00 a 0 - - 311 8.450 1.188 1 T 4.532e+05 0.00e+00 a 0 - - 312 8.361 2.937 1 T 4.216e+05 0.00e+00 a 0 - - 313 8.359 2.748 1 T 2.922e+05 0.00e+00 a 0 - - 314 7.273 4.440 1 T 4.093e+05 0.00e+00 a 0 - - 315 7.001 4.469 1 T 8.512e+05 0.00e+00 a 0 - - 316 9.037 5.254 1 T 1.454e+06 0.00e+00 a 0 H.4 HA.3 323 7.688 6.960 1 T 5.760e+06 0.00e+00 a 0 HE22.13 HE21.13 324 7.473 7.053 1 T 3.966e+06 0.00e+00 a 0 - - 325 7.483 7.224 1 T 4.831e+06 0.00e+00 a 0 - - 326 7.383 7.073 1 T 4.028e+06 0.00e+00 a 0 - - 327 7.408 7.133 1 T 5.367e+06 0.00e+00 a 0 - - 329 7.378 7.267 1 T 8.037e+05 0.00e+00 a 0 - - 330 7.381 7.220 1 T 2.500e+05 0.00e+00 a 0 - - 331 10.280 2.743 1 T 3.202e+05 0.00e+00 a 0 - - 332 10.214 1.930 1 T 2.999e+05 0.00e+00 a 0 - - 333 10.214 3.295 1 T 8.637e+04 0.00e+00 a 0 - - 334 10.214 3.179 1 T 1.248e+05 0.00e+00 a 0 - - 335 10.214 1.812 1 T 2.493e+05 0.00e+00 a 0 - - 336 10.214 0.971 1 T 1.345e+05 0.00e+00 a 0 - - 337 10.216 0.901 1 T 1.060e+05 0.00e+00 a 0 - - 338 10.280 0.565 1 T 1.137e+05 0.00e+00 a 0 - - 339 10.213 1.561 1 T 1.556e+05 0.00e+00 a 0 - - 341 10.214 1.418 1 T 1.540e+05 0.00e+00 a 0 - - 342 9.459 0.971 1 T 1.061e+05 0.00e+00 a 0 - - 343 9.467 1.948 1 T 9.807e+04 0.00e+00 a 0 - - 344 9.452 1.945 1 T 9.644e+04 0.00e+00 a 0 - - 345 8.585 4.318 1 T 1.011e+05 0.00e+00 a 0 - - 346 6.960 2.467 1 T 1.111e+05 0.00e+00 a 0 HE21.13 HG2.13 347 6.959 2.375 1 T 1.449e+05 0.00e+00 a 0 HE21.13 HG3.13 348 7.221 0.586 1 T 1.964e+05 0.00e+00 a 0 - - 349 7.072 0.590 1 T 2.147e+05 0.00e+00 a 0 - - 350 7.479 0.570 1 T 1.570e+05 0.00e+00 a 0 - - 351 7.382 0.582 1 T 1.870e+05 0.00e+00 a 0 - - 352 7.223 0.533 1 T 1.870e+05 0.00e+00 a 0 - - 353 9.205 1.200 1 T 1.498e+05 0.00e+00 a 0 - - 354 7.222 1.386 1 T 1.554e+05 0.00e+00 a 0 - - 355 7.059 1.409 1 T 2.778e+05 0.00e+00 a 0 - - 356 7.055 1.292 1 T 1.538e+05 0.00e+00 a 0 - - 357 7.003 1.065 1 T 1.042e+05 0.00e+00 a 0 - - 358 7.000 1.400 1 T 1.417e+05 0.00e+00 a 0 - - 359 7.001 1.281 1 T 8.621e+04 0.00e+00 a 0 - - 360 7.406 1.417 1 T 2.295e+05 0.00e+00 a 0 - - 361 7.388 1.396 1 T 2.200e+05 0.00e+00 a 0 - - 362 7.687 2.041 1 T 1.336e+05 0.00e+00 a 0 - - 363 7.070 2.743 1 T 1.382e+05 0.00e+00 a 0 - - 364 7.074 3.979 1 T 1.372e+05 0.00e+00 a 0 - - 365 7.071 3.865 1 T 1.411e+05 0.00e+00 a 0 - - 366 7.272 4.009 1 T 1.273e+05 0.00e+00 a 0 - - 367 7.222 3.860 1 T 1.889e+05 0.00e+00 a 0 - - 368 7.466 3.979 1 T 7.876e+04 0.00e+00 a 0 - - 369 7.472 3.863 1 T 9.603e+04 0.00e+00 a 0 - - 370 7.061 4.469 1 T 2.167e+05 0.00e+00 a 0 - - 371 9.223 5.416 1 T 2.720e+05 0.00e+00 a 0 - - 372 7.470 5.412 1 T 3.109e+05 0.00e+00 a 0 - - 373 7.381 3.471 1 T 1.499e+05 0.00e+00 a 0 - - 379 8.413 7.689 1 T 1.406e+05 0.00e+00 a 0 H.13 HE22.13 383 7.466 9.278 1 T 1.075e+05 0.00e+00 a 0 - - 384 7.470 9.229 1 T 2.757e+05 0.00e+00 a 0 - - 386 7.386 9.208 1 T 1.373e+05 0.00e+00 a 0 - - 387 7.003 9.216 1 T 1.906e+05 0.00e+00 a 0 - - 388 7.468 9.198 1 T 3.050e+05 0.00e+00 a 0 - - 389 8.748 9.034 1 T 1.439e+05 0.00e+00 a 0 - - 390 8.450 9.032 1 T 2.141e+05 0.00e+00 a 0 - - 391 8.359 9.030 1 T 9.452e+04 0.00e+00 a 0 - - 392 8.137 9.036 1 T 3.286e+05 0.00e+00 a 0 - - 393 7.467 9.031 1 T 1.928e+05 0.00e+00 a 0 - - 394 7.382 9.031 1 T 2.717e+05 0.00e+00 a 0 - - 395 7.218 9.026 1 T 1.066e+05 0.00e+00 a 0 - - 396 7.138 9.030 1 T 8.923e+04 0.00e+00 a 0 - - 397 7.056 9.033 1 T 4.735e+05 0.00e+00 a 0 - - 398 7.002 9.035 1 T 2.532e+05 0.00e+00 a 0 - - 399 7.380 8.748 1 T 2.793e+05 0.00e+00 a 0 - - 400 7.220 8.746 1 T 1.218e+06 0.00e+00 a 0 - - 401 7.472 8.557 1 T 1.376e+05 0.00e+00 a 0 - - 402 7.382 8.557 1 T 1.591e+05 0.00e+00 a 0 - - 403 7.221 8.553 1 T 6.924e+04 0.00e+00 a 0 - - 404 7.073 8.556 1 T 2.584e+05 0.00e+00 a 0 - - 405 7.000 8.556 1 T 2.411e+05 0.00e+00 a 0 - - 406 8.135 8.585 1 T 4.829e+05 0.00e+00 a 0 - - 407 8.358 8.556 1 T 1.521e+05 0.00e+00 a 0 - - 408 8.132 8.654 1 T 1.018e+05 0.00e+00 a 0 - - 409 3.465 4.442 1 T 2.190e+05 0.00e+00 a 0 - - 410 3.350 4.442 1 T 2.613e+05 0.00e+00 a 0 - - 411 2.745 1.390 1 T 1.220e+06 0.00e+00 a 0 - - 412 2.939 1.200 1 T 4.540e+05 0.00e+00 a 0 - - 413 2.883 1.187 1 T 3.323e+05 0.00e+00 a 0 - - 414 2.936 1.109 1 T 5.934e+05 0.00e+00 a 0 - - 415 2.885 1.115 1 T 9.574e+05 0.00e+00 a 0 - - 416 2.887 0.899 1 T 3.615e+05 0.00e+00 a 0 - - 417 3.184 1.200 1 T 1.268e+05 0.00e+00 a 0 - - 418 3.188 1.120 1 T 1.840e+05 0.00e+00 a 0 - - 419 3.177 0.971 1 T 1.731e+05 0.00e+00 a 0 - - 420 3.173 1.354 1 T 5.024e+05 0.00e+00 a 0 - - 421 3.127 1.346 1 T 6.749e+05 0.00e+00 a 0 - - 422 3.181 1.958 1 T 1.949e+05 0.00e+00 a 0 - - 423 3.181 1.826 1 T 1.902e+05 0.00e+00 a 0 - - 424 3.134 1.764 1 T 2.277e+05 0.00e+00 a 0 - - 425 3.043 1.421 1 T 6.651e+05 0.00e+00 a 0 - - 435 2.890 1.579 1 T 1.758e+06 0.00e+00 a 0 - - 436 2.953 1.424 1 T 6.625e+05 0.00e+00 a 0 - - 439 1.388 0.583 1 T 2.162e+06 0.00e+00 a 0 - - 441 1.105 0.537 1 T 2.165e+06 0.00e+00 a 0 - - 442 1.934 0.972 1 T 2.125e+06 0.00e+00 a 0 - - 443 1.950 0.900 1 T 6.213e+05 0.00e+00 a 0 - - 444 1.934 0.899 1 T 7.451e+05 0.00e+00 a 0 - - 445 1.189 1.542 1 T 4.312e+06 0.00e+00 a 0 - - 446 1.332 1.762 1 T 2.223e+06 0.00e+00 a 0 - - 447 1.289 1.411 1 T 5.498e+06 0.00e+00 a 0 - - 448 0.973 1.198 1 T 1.172e+06 0.00e+00 a 0 - - 449 0.899 0.976 1 T 1.069e+04 0.00e+00 a 0 - - 450 0.969 1.453 1 T 1.161e+06 0.00e+00 a 0 - - 451 0.625 1.756 1 T 1.118e+06 0.00e+00 a 0 - - 452 9.033 5.412 1 T 1.818e+05 0.00e+00 a 0 H.4 HA.8 454 7.225 8.365 1 T 5.226e+04 0.00e+00 a 0 - - 455 7.005 8.366 1 T 5.881e+04 0.00e+00 a 0 - - 456 7.380 8.356 1 T 5.954e+04 0.00e+00 a 0 - - 461 3.910 4.323 1 T 2.058e+05 0.00e+00 a 0 - - 462 3.872 4.535 1 T 1.518e+05 0.00e+00 a 0 - - 463 4.013 4.471 1 T 1.172e+05 0.00e+00 a 0 - - 464 3.865 4.472 1 T 7.415e+04 0.00e+00 a 0 - - 465 2.938 3.861 1 T 1.660e+05 0.00e+00 a 0 - - 466 3.055 3.863 1 T 1.196e+05 0.00e+00 a 0 - - 467 0.556 3.860 1 T 3.315e+05 0.00e+00 a 0 - - 468 1.448 3.909 1 T 4.034e+05 0.00e+00 a 0 - - 469 1.355 3.908 1 T 7.174e+05 0.00e+00 a 0 - - 470 1.386 3.863 1 T 4.318e+05 0.00e+00 a 0 - - 471 1.197 3.866 1 T 2.180e+05 0.00e+00 a 0 - - 472 1.121 3.860 1 T 6.368e+05 0.00e+00 a 0 - - 473 1.057 3.659 1 T 4.714e+05 0.00e+00 a 0 - - 474 0.971 3.908 1 T 2.126e+05 0.00e+00 a 0 - - 475 1.057 3.981 1 T 2.018e+05 0.00e+00 a 0 - - 476 1.129 4.009 1 T 8.260e+04 0.00e+00 a 0 - - 477 1.060 4.095 1 T 2.628e+05 0.00e+00 a 0 - - 478 1.057 4.319 1 T 2.699e+05 0.00e+00 a 0 - - 479 1.200 4.324 1 T 5.771e+05 0.00e+00 a 0 - - 480 1.760 4.470 1 T 2.339e+05 0.00e+00 a 0 - - 481 1.761 3.131 1 T 2.328e+05 0.00e+00 a 0 - - 482 1.555 3.181 1 T 4.423e+05 0.00e+00 a 0 - - 483 1.477 3.181 1 T 4.664e+05 0.00e+00 a 0 - - 484 1.457 3.172 1 T 6.583e+05 0.00e+00 a 0 - - 485 1.586 3.162 1 T 4.124e+05 0.00e+00 a 0 - - 486 1.454 3.138 1 T 4.591e+05 0.00e+00 a 0 - - 487 1.488 3.109 1 T 5.508e+05 0.00e+00 a 0 - - 488 1.123 2.886 1 T 7.070e+05 0.00e+00 a 0 - - 489 1.386 2.742 1 T 7.675e+05 0.00e+00 a 0 - - 490 1.111 2.742 1 T 1.075e+06 0.00e+00 a 0 - - 491 0.544 2.744 1 T 7.619e+05 0.00e+00 a 0 - - 492 1.542 2.895 1 T 8.769e+05 0.00e+00 a 0 - - 493 1.589 2.879 1 T 6.570e+05 0.00e+00 a 0 - - 494 1.197 3.051 1 T 7.872e+05 0.00e+00 a 0 - - 495 1.200 2.943 1 T 4.179e+05 0.00e+00 a 0 - - 496 0.972 3.179 1 T 2.600e+05 0.00e+00 a 0 - - 497 0.900 2.888 1 T 3.594e+05 0.00e+00 a 0 - - 498 1.426 1.948 1 T 4.069e+05 0.00e+00 a 0 - - 499 1.344 1.952 1 T 5.391e+05 0.00e+00 a 0 - - 500 1.547 1.933 1 T 7.402e+05 0.00e+00 a 0 - - 501 1.460 1.938 1 T 4.526e+05 0.00e+00 a 0 - - 502 1.190 1.930 1 T 4.486e+05 0.00e+00 a 0 - - 503 1.406 1.885 1 T 7.514e+05 0.00e+00 a 0 - - 504 1.281 1.888 1 T 6.205e+05 0.00e+00 a 0 - - 505 1.573 1.823 1 T 2.074e+05 0.00e+00 a 0 - - 506 1.481 1.819 1 T 9.477e+05 0.00e+00 a 0 - - 507 1.416 1.819 1 T 1.263e+06 0.00e+00 a 0 - - 508 1.343 1.818 1 T 7.689e+05 0.00e+00 a 0 - - 509 1.276 1.819 1 T 6.183e+05 0.00e+00 a 0 - - 510 1.476 1.754 1 T 8.842e+05 0.00e+00 a 0 - - 511 1.351 1.571 1 T 6.628e+05 0.00e+00 a 0 - - 512 1.089 1.577 1 T 9.593e+05 0.00e+00 a 0 - - 513 1.122 1.557 1 T 9.071e+05 0.00e+00 a 0 - - 514 1.110 1.390 1 T 5.753e+05 0.00e+00 a 0 - - 515 1.026 1.094 1 T 5.324e+06 0.00e+00 a 0 - - ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . . 12.0166 ppm . . . 4.688 . . c30683_6uxs 1 2 . . H 1 H-aliphatic . . 12.0166 ppm . . . 4.688 . . c30683_6uxs 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30683_6uxs _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 20 save_ 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 c30683_6uxs _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 . . . c30683_6uxs 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 . . . . c30683_6uxs 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ACE C C 1.489 0.959 -2.268 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 1 . 2 . 1 1 1 ACE CH3 C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 1 . 3 . 1 1 1 ACE H1 H 3.066 -0.235 -1.623 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 1 . 4 . 1 1 1 ACE H2 H 1.248 -0.712 -1.198 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 1 . 5 . 1 1 1 ACE O O 0.286 0.942 -2.527 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 1 . 6 . 1 1 2 TRP C C 1.983 2.177 -5.247 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 1 . 7 . 1 1 2 TRP CA C 1.904 2.766 -3.843 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 1 . 8 . 1 1 2 TRP CB C 2.757 4.033 -3.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 1 . 9 . 1 1 2 TRP CD1 C 2.042 4.700 -1.390 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 1 . 10 . 1 1 2 TRP CD2 C 4.247 4.834 -1.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 1 . 11 . 1 1 2 TRP CE2 C 3.988 5.224 -0.430 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 1 . 12 . 1 1 2 TRP CE3 C 5.567 4.837 -2.217 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 1 . 13 . 1 1 2 TRP CG C 2.988 4.502 -2.355 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 1 . 14 . 1 1 2 TRP CH2 C 6.285 5.608 -0.034 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 1 . 15 . 1 1 2 TRP CZ2 C 5.002 5.614 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 1 . 16 . 1 1 2 TRP CZ3 C 6.572 5.225 -1.351 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 1 . 17 . 1 1 2 TRP H H 3.290 1.760 -2.597 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 1 . 18 . 1 1 2 TRP HA H 0.877 3.019 -3.628 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 1 . 19 . 1 1 2 TRP HB2 H 3.719 3.843 -4.210 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 20 . 1 1 2 TRP HB3 H 2.261 4.827 -4.299 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 21 . 1 1 2 TRP HD1 H 0.984 4.536 -1.533 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 1 . 22 . 1 1 2 TRP HE1 H 2.167 5.344 0.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 1 . 23 . 1 1 2 TRP HE3 H 5.808 4.545 -3.228 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 24 . 1 1 2 TRP HH2 H 7.101 5.903 0.608 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 1 . 25 . 1 1 2 TRP HZ2 H 4.797 5.911 1.460 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 1 . 26 . 1 1 2 TRP HZ3 H 7.598 5.234 -1.687 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 1 . 27 . 1 1 2 TRP N N 2.342 1.795 -2.846 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 1 . 28 . 1 1 2 TRP NE1 N 2.636 5.134 -0.230 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 1 . 29 . 1 1 2 TRP O O 2.195 0.976 -5.417 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 1 . 30 . 1 1 3 LYS C C 3.240 2.856 -8.242 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 1 . 31 . 1 1 3 LYS CA C 1.863 2.594 -7.642 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 1 . 32 . 1 1 3 LYS CB C 0.792 3.315 -8.464 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 1 . 33 . 1 1 3 LYS CD C -0.410 3.532 -10.660 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 1 . 34 . 1 1 3 LYS CE C -0.873 2.685 -11.835 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 1 . 35 . 1 1 3 LYS CG C 0.740 2.873 -9.917 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 1 . 36 . 1 1 3 LYS H H 1.644 3.975 -6.053 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 1 . 37 . 1 1 3 LYS HA H 1.669 1.533 -7.665 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 1 . 38 . 1 1 3 LYS HB2 H -0.174 3.128 -8.018 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 39 . 1 1 3 LYS HB3 H 0.990 4.377 -8.440 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 40 . 1 1 3 LYS HD2 H -1.237 3.667 -9.979 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 1 . 41 . 1 1 3 LYS HD3 H -0.084 4.495 -11.028 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 1 . 42 . 1 1 3 LYS HE2 H -1.330 3.330 -12.569 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 1 . 43 . 1 1 3 LYS HE3 H -0.014 2.197 -12.270 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 44 . 1 1 3 LYS HG2 H 1.668 3.142 -10.399 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 45 . 1 1 3 LYS HG3 H 0.612 1.800 -9.952 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 46 . 1 1 3 LYS HZ1 H -2.797 2.081 -11.290 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 1 . 47 . 1 1 3 LYS HZ2 H -1.927 0.908 -12.143 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 1 . 48 . 1 1 3 LYS HZ3 H -1.564 1.217 -10.519 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 1 . 49 . 1 1 3 LYS N N 1.810 3.030 -6.252 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 1 . 50 . 1 1 3 LYS NZ N -1.859 1.650 -11.417 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 1 . 51 . 1 1 3 LYS O O 3.929 3.801 -7.855 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 1 . 52 . 1 1 4 THR C C 4.788 2.123 -11.363 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 1 . 53 . 1 1 4 THR CA C 4.932 2.154 -9.845 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 1 . 54 . 1 1 4 THR CB C 5.904 1.041 -9.411 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 1 . 55 . 1 1 4 THR CG2 C 7.300 1.298 -9.958 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 1 . 56 . 1 1 4 THR H H 3.044 1.280 -9.457 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 1 . 57 . 1 1 4 THR HA H 5.352 3.105 -9.552 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 1 . 58 . 1 1 4 THR HB H 5.548 0.099 -9.802 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 1 . 59 . 1 1 4 THR HG1 H 5.582 0.127 -7.693 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 1 . 60 . 1 1 4 THR HG21 H 8.018 0.714 -9.401 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 1 . 61 . 1 1 4 THR HG22 H 7.336 1.016 -11.000 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 1 . 62 . 1 1 4 THR HG23 H 7.538 2.347 -9.860 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 1 . 63 . 1 1 4 THR N N 3.637 2.014 -9.192 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 1 . 64 . 1 1 4 THR O O 4.253 1.168 -11.925 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 1 . 65 . 1 1 4 THR OG1 O 5.953 0.964 -7.982 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 1 . 66 . 1 1 5 ILE C C 6.410 3.991 -14.040 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 1 . 67 . 1 1 5 ILE CA C 5.196 3.264 -13.472 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 1 . 68 . 1 1 5 ILE CB C 3.917 3.993 -13.926 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 1 . 69 . 1 1 5 ILE CD1 C 1.388 4.046 -13.644 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 1 . 70 . 1 1 5 ILE CG1 C 2.686 3.365 -13.270 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 1 . 71 . 1 1 5 ILE CG2 C 3.795 3.953 -15.442 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 1 . 72 . 1 1 5 ILE H H 5.685 3.903 -11.515 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 1 . 73 . 1 1 5 ILE HA H 5.173 2.259 -13.868 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 1 . 74 . 1 1 5 ILE HB H 3.991 5.026 -13.622 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 1 . 75 . 1 1 5 ILE HD11 H 0.726 3.329 -14.106 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 1 . 76 . 1 1 5 ILE HD12 H 0.922 4.446 -12.756 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 1 . 77 . 1 1 5 ILE HD13 H 1.590 4.849 -14.337 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 1 . 78 . 1 1 5 ILE HG12 H 2.615 2.331 -13.568 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 1 . 79 . 1 1 5 ILE HG13 H 2.793 3.420 -12.196 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 1 . 80 . 1 1 5 ILE HG21 H 2.903 3.408 -15.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 1 . 81 . 1 1 5 ILE HG22 H 3.733 4.961 -15.825 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 1 . 82 . 1 1 5 ILE HG23 H 4.660 3.461 -15.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 1 . 83 . 1 1 5 ILE N N 5.270 3.173 -12.019 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 1 . 84 . 1 1 5 ILE O O 6.742 5.096 -13.610 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 1 . 85 . 1 1 6 . C C 9.364 4.160 -14.627 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 1 . 86 . 1 1 6 . CA C 8.245 3.950 -15.639 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 1 . 87 . 1 1 6 . CB C 7.889 5.276 -16.313 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 1 . 88 . 1 1 6 . CD C 6.080 6.540 -17.516 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 1 . 89 . 1 1 6 . CE C 5.313 6.976 -16.277 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 1 . 90 . 1 1 6 . CG C 6.741 5.185 -17.311 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 1 . 91 . 1 1 6 . CH C 5.982 8.588 -14.502 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 1 . 92 . 1 1 6 . CH3 C 5.591 9.951 -13.987 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 1 . 93 . 1 1 6 . H H 6.745 2.458 -15.318 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 1 . 94 . 1 1 6 . HB2 H 7.615 6.008 -15.554 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 95 . 1 1 6 . HB3 H 8.762 5.662 -16.841 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 96 . 1 1 6 . HCA H 8.610 3.259 -16.401 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 1 . 97 . 1 1 6 . HD2 H 6.842 7.286 -17.744 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 1 . 98 . 1 1 6 . HD3 H 5.390 6.484 -18.358 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 1 . 99 . 1 1 6 . HE2 H 4.245 6.974 -16.490 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 1 . 100 . 1 1 6 . HE3 H 5.501 6.271 -15.466 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 101 . 1 1 6 . HG2 H 7.120 4.826 -18.269 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 102 . 1 1 6 . HG3 H 5.997 4.479 -16.945 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 103 . 1 1 6 . HH31 H 6.449 10.417 -13.501 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 1 . 104 . 1 1 6 . HH32 H 5.264 10.574 -14.821 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 1 . 105 . 1 1 6 . HH33 H 4.779 9.849 -13.269 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 1 . 106 . 1 1 6 . HZ H 6.559 8.615 -16.300 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 1 . 107 . 1 1 6 . N N 7.069 3.364 -15.009 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 1 . 108 . 1 1 6 . NZ N 5.710 8.338 -15.827 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 1 . 109 . 1 1 6 . O O 10.115 5.132 -14.710 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 1 . 110 . 1 1 6 . OH O 6.536 7.682 -13.793 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 1 . 111 . 1 1 7 GLY C C 10.510 4.700 -11.973 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 1 . 112 . 1 1 7 GLY CA C 10.502 3.347 -12.655 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 1 . 113 . 1 1 7 GLY H H 8.844 2.489 -13.655 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 1 . 114 . 1 1 7 GLY HA2 H 10.337 2.581 -11.911 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 1 . 115 . 1 1 7 GLY HA3 H 11.464 3.184 -13.118 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 1 . 116 . 1 1 7 GLY N N 9.471 3.243 -13.671 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 1 . 117 . 1 1 7 GLY O O 11.538 5.376 -11.931 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 1 . 118 . 1 1 8 . C C 8.252 6.294 -9.596 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 1 . 119 . 1 1 8 . CA C 9.236 6.380 -10.756 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 1 . 120 . 1 1 8 . CB C 8.798 7.470 -11.737 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 1 . 121 . 1 1 8 . CD C 10.666 8.563 -13.015 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 1 . 122 . 1 1 8 . CE C 10.111 9.328 -14.207 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 1 . 123 . 1 1 8 . CG C 9.740 8.664 -11.812 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 1 . 124 . 1 1 8 . CH C 11.606 11.130 -15.053 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 1 . 125 . 1 1 8 . CH3 C 12.575 11.566 -16.125 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 1 . 126 . 1 1 8 . H H 8.551 4.497 -11.506 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 1 . 127 . 1 1 8 . HB2 H 8.715 7.046 -12.738 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 128 . 1 1 8 . HB3 H 7.811 7.838 -11.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 129 . 1 1 8 . HCA H 10.210 6.652 -10.347 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 1 . 130 . 1 1 8 . HD2 H 11.645 8.968 -12.756 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 1 . 131 . 1 1 8 . HD3 H 10.789 7.516 -13.293 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 1 . 132 . 1 1 8 . HE2 H 9.448 8.682 -14.778 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 1 . 133 . 1 1 8 . HE3 H 9.535 10.183 -13.854 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 134 . 1 1 8 . HG2 H 9.157 9.583 -11.889 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 135 . 1 1 8 . HG3 H 10.341 8.710 -10.905 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 136 . 1 1 8 . HH31 H 13.416 10.874 -16.160 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 1 . 137 . 1 1 8 . HH32 H 12.068 11.572 -17.091 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 1 . 138 . 1 1 8 . HH33 H 12.939 12.567 -15.900 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 1 . 139 . 1 1 8 . HZ H 12.039 9.297 -14.930 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 1 . 140 . 1 1 8 . N N 9.360 5.098 -11.438 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 1 . 141 . 1 1 8 . NZ N 11.193 9.819 -15.105 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 1 . 142 . 1 1 8 . O O 7.314 5.497 -9.621 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 1 . 143 . 1 1 8 . OH O 11.165 11.892 -14.128 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 1 . 144 . 1 1 9 THR C C 6.795 8.428 -7.341 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 1 . 145 . 1 1 9 THR CA C 7.605 7.138 -7.407 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 1 . 146 . 1 1 9 THR CB C 8.415 6.986 -6.106 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 1 . 147 . 1 1 9 THR CG2 C 7.818 5.904 -5.219 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 1 . 148 . 1 1 9 THR H H 9.236 7.733 -8.618 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 1 . 149 . 1 1 9 THR HA H 6.925 6.301 -7.483 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 1 . 150 . 1 1 9 THR HB H 8.388 7.925 -5.572 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 1 . 151 . 1 1 9 THR HG1 H 10.203 6.301 -5.631 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 1 . 152 . 1 1 9 THR HG21 H 8.284 4.956 -5.444 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 1 . 153 . 1 1 9 THR HG22 H 7.989 6.153 -4.182 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 1 . 154 . 1 1 9 THR HG23 H 6.755 5.835 -5.402 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 1 . 155 . 1 1 9 THR N N 8.471 7.121 -8.579 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 1 . 156 . 1 1 9 THR O O 6.871 9.266 -8.239 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 1 . 157 . 1 1 9 THR OG1 O 9.776 6.662 -6.412 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 1 . 158 . 1 1 10 TRP C C 4.436 9.707 -4.770 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 1 . 159 . 1 1 10 TRP CA C 5.199 9.771 -6.088 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 1 . 160 . 1 1 10 TRP CB C 4.219 9.922 -7.252 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 1 . 161 . 1 1 10 TRP CD1 C 2.594 7.959 -6.981 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 1 . 162 . 1 1 10 TRP CD2 C 3.860 7.859 -8.826 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 1 . 163 . 1 1 10 TRP CE2 C 3.018 6.730 -8.797 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 1 . 164 . 1 1 10 TRP CE3 C 4.745 8.011 -9.897 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 1 . 165 . 1 1 10 TRP CG C 3.572 8.632 -7.656 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 1 . 166 . 1 1 10 TRP CH2 C 3.915 5.935 -10.833 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 1 . 167 . 1 1 10 TRP CZ2 C 3.038 5.761 -9.797 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 1 . 168 . 1 1 10 TRP CZ3 C 4.764 7.048 -10.888 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 1 . 169 . 1 1 10 TRP H H 6.005 7.878 -5.589 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 1 . 170 . 1 1 10 TRP HA H 5.856 10.628 -6.069 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 1 . 171 . 1 1 10 TRP HB2 H 3.438 10.612 -6.970 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 172 . 1 1 10 TRP HB3 H 4.747 10.314 -8.110 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 173 . 1 1 10 TRP HD1 H 2.161 8.289 -6.050 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 1 . 174 . 1 1 10 TRP HE1 H 1.579 6.164 -7.380 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 1 . 175 . 1 1 10 TRP HE3 H 5.407 8.862 -9.957 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 176 . 1 1 10 TRP HH2 H 3.964 5.208 -11.629 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 1 . 177 . 1 1 10 TRP HZ2 H 2.389 4.897 -9.769 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 1 . 178 . 1 1 10 TRP HZ3 H 5.442 7.149 -11.723 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 1 . 179 . 1 1 10 TRP N N 6.023 8.581 -6.272 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 1 . 180 . 1 1 10 TRP NE1 N 2.257 6.814 -7.662 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 1 . 181 . 1 1 10 TRP O O 4.212 10.730 -4.122 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 1 . 182 . 1 1 11 ARG C C 1.945 9.002 -3.196 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 1 . 183 . 1 1 11 ARG CA C 3.301 8.304 -3.137 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 1 . 184 . 1 1 11 ARG CB C 4.107 8.833 -1.949 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 1 . 185 . 1 1 11 ARG CD C 2.791 9.524 0.077 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 1 . 186 . 1 1 11 ARG CG C 3.560 8.399 -0.600 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 1 . 187 . 1 1 11 ARG CZ C 3.258 11.354 1.652 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 1 . 188 . 1 1 11 ARG H H 4.249 7.723 -4.938 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 1 . 189 . 1 1 11 ARG HA H 3.142 7.244 -3.009 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 1 . 190 . 1 1 11 ARG HB2 H 5.124 8.477 -2.032 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 191 . 1 1 11 ARG HB3 H 4.109 9.912 -1.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 192 . 1 1 11 ARG HD2 H 2.510 10.250 -0.670 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 1 . 193 . 1 1 11 ARG HD3 H 1.903 9.111 0.532 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 1 . 194 . 1 1 11 ARG HE H 4.406 9.741 1.406 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 1 . 195 . 1 1 11 ARG HG2 H 2.895 7.560 -0.744 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 196 . 1 1 11 ARG HG3 H 4.383 8.104 0.034 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 197 . 1 1 11 ARG HH11 H 1.569 11.576 0.566 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 1 . 198 . 1 1 11 ARG HH12 H 1.910 12.859 1.679 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 1 . 199 . 1 1 11 ARG HH21 H 4.865 11.423 2.876 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 1 . 200 . 1 1 11 ARG HH22 H 3.785 12.772 2.992 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 1 . 201 . 1 1 11 ARG N N 4.040 8.500 -4.378 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 1 . 202 . 1 1 11 ARG NE N 3.587 10.187 1.107 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 1 . 203 . 1 1 11 ARG NH1 N 2.155 11.981 1.267 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 1 . 204 . 1 1 11 ARG NH2 N 4.033 11.894 2.583 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 1 . 205 . 1 1 11 ARG O O 1.862 10.229 -3.132 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 1 . 206 . 1 1 12 THR C C -1.262 8.410 -2.131 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 1 . 207 . 1 1 12 THR CA C -0.469 8.751 -3.387 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 1 . 208 . 1 1 12 THR CB C -1.224 8.218 -4.618 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 1 . 209 . 1 1 12 THR CG2 C -1.084 6.707 -4.727 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 1 . 210 . 1 1 12 THR H H 1.014 7.241 -3.363 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 1 . 211 . 1 1 12 THR HA H -0.394 9.825 -3.473 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 1 . 212 . 1 1 12 THR HB H -0.802 8.669 -5.504 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 1 . 213 . 1 1 12 THR HG1 H -2.701 9.406 -4.073 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 1 . 214 . 1 1 12 THR HG21 H -1.511 6.241 -3.852 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 1 . 215 . 1 1 12 THR HG22 H -1.602 6.360 -5.609 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 1 . 216 . 1 1 12 THR HG23 H -0.038 6.447 -4.799 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 1 . 217 . 1 1 12 THR N N 0.883 8.211 -3.318 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 1 . 218 . 1 1 12 THR O O -2.020 9.235 -1.621 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 1 . 219 . 1 1 12 THR OG1 O -2.610 8.568 -4.532 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 1 . 220 . 1 1 13 . C C -0.796 6.320 0.647 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 1 . 221 . 1 1 13 . CA C -1.779 6.738 -0.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 1 . 222 . 1 1 13 . CB C -2.720 5.578 -0.772 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 1 . 223 . 1 1 13 . CD C -4.520 4.530 0.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 1 . 224 . 1 1 13 . CE C -5.112 3.419 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 1 . 225 . 1 1 13 . CG C -4.129 5.731 -0.214 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 1 . 226 . 1 1 13 . CH C -7.033 1.860 0.062 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 1 . 227 . 1 1 13 . CH3 C -8.267 2.722 -0.045 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 1 . 228 . 1 1 13 . H H -0.445 6.559 -2.101 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 1 . 229 . 1 1 13 . HB2 H -2.798 5.472 -1.853 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 230 . 1 1 13 . HB3 H -2.304 4.648 -0.381 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 231 . 1 1 13 . HCA H -2.373 7.566 -0.050 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 1 . 232 . 1 1 13 . HD2 H -3.641 4.150 1.155 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 1 . 233 . 1 1 13 . HD3 H -5.256 4.835 1.379 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 1 . 234 . 1 1 13 . HE2 H -5.751 3.850 -0.987 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 1 . 235 . 1 1 13 . HE3 H -4.308 2.870 -0.711 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 1 . 236 . 1 1 13 . HG2 H -4.181 6.631 0.401 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 237 . 1 1 13 . HG3 H -4.836 5.831 -1.036 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 238 . 1 1 13 . HH31 H -9.013 2.381 0.672 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 1 . 239 . 1 1 13 . HH32 H -8.005 3.759 0.168 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 1 . 240 . 1 1 13 . HH33 H -8.673 2.650 -1.053 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 1 . 241 . 1 1 13 . HZ H -5.335 1.684 0.868 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 1 . 242 . 1 1 13 . N N -1.082 7.190 -1.636 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 1 . 243 . 1 1 13 . NZ N -5.915 2.462 0.592 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 1 . 244 . 1 1 13 . O O 0.407 6.550 0.530 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 1 . 245 . 1 1 13 . OH O -6.975 0.637 -0.301 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 1 . 246 . 1 1 14 GLN C C -0.288 3.741 2.768 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 1 . 247 . 1 1 14 GLN CA C -0.483 5.253 2.812 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 1 . 248 . 1 1 14 GLN CB C -1.110 5.660 4.147 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 1 . 249 . 1 1 14 GLN CD C -0.187 7.649 5.402 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 1 . 250 . 1 1 14 GLN CG C -1.173 7.164 4.357 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 1 . 251 . 1 1 14 GLN H H -2.283 5.549 1.739 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 1 . 252 . 1 1 14 GLN HA H 0.480 5.731 2.717 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 1 . 253 . 1 1 14 GLN HB2 H -2.115 5.269 4.193 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 254 . 1 1 14 GLN HB3 H -0.528 5.231 4.950 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 255 . 1 1 14 GLN HE21 H -1.112 6.584 6.803 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 1 . 256 . 1 1 14 GLN HE22 H 0.257 7.495 7.333 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 1 . 257 . 1 1 14 GLN HG2 H -0.951 7.655 3.421 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 1 . 258 . 1 1 14 GLN HG3 H -2.171 7.429 4.673 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 1 . 259 . 1 1 14 GLN N N -1.317 5.704 1.704 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 1 . 260 . 1 1 14 GLN NE2 N -0.365 7.198 6.638 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 1 . 261 . 1 1 14 GLN O O -1.019 2.991 3.415 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 1 . 262 . 1 1 14 GLN OE1 O 0.724 8.421 5.102 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 1 . 263 . 1 1 15 CYS C C 1.146 1.225 3.240 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 1 . 264 . 1 1 15 CYS CA C 0.993 1.877 1.869 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 1 . 265 . 1 1 15 CYS CB C 2.267 1.669 1.048 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 1 . 266 . 1 1 15 CYS H H 1.250 3.947 1.507 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 1 . 267 . 1 1 15 CYS HA H 0.164 1.414 1.355 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 1 . 268 . 1 1 15 CYS HB2 H 2.421 2.530 0.413 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 1 . 269 . 1 1 15 CYS HB3 H 3.107 1.569 1.719 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 1 . 270 . 1 1 15 CYS N N 0.702 3.300 1.999 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 1 . 271 . 1 1 15 CYS O O 1.811 1.767 4.124 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 1 . 272 . 1 1 15 CYS SG S 2.231 0.194 -0.020 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 1 . 273 . 1 1 16 NH2 HN1 H 0.023 -0.346 2.733 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 1 . 274 . 1 1 16 NH2 N N 0.572 0.094 3.476 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 2 . 275 . 1 1 1 ACE C C 1.489 0.944 -2.268 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 2 . 276 . 1 1 1 ACE CH3 C 2.068 -0.012 -1.244 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 2 . 277 . 1 1 1 ACE H1 H 3.057 -0.261 -1.629 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 2 . 278 . 1 1 1 ACE H2 H 1.231 -0.707 -1.181 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 2 . 279 . 1 1 1 ACE O O 0.289 0.919 -2.540 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 2 . 280 . 1 1 2 TRP C C 1.989 2.165 -5.239 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 2 . 281 . 1 1 2 TRP CA C 1.909 2.756 -3.836 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 2 . 282 . 1 1 2 TRP CB C 2.762 4.023 -3.753 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 2 . 283 . 1 1 2 TRP CD1 C 2.044 4.696 -1.388 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 2 . 284 . 1 1 2 TRP CD2 C 4.250 4.824 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 2 . 285 . 1 1 2 TRP CE2 C 3.988 5.218 -0.424 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 2 . 286 . 1 1 2 TRP CE3 C 5.571 4.824 -2.205 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 2 . 287 . 1 1 2 TRP CG C 2.992 4.494 -2.349 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 2 . 288 . 1 1 2 TRP CH2 C 6.285 5.598 -0.022 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 2 . 289 . 1 1 2 TRP CZ2 C 5.000 5.608 0.450 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 2 . 290 . 1 1 2 TRP CZ3 C 6.574 5.212 -1.337 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 2 . 291 . 1 1 2 TRP H H 3.289 1.758 -2.578 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 2 . 292 . 1 1 2 TRP HA H 0.882 3.012 -3.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 2 . 293 . 1 1 2 TRP HB2 H 3.727 3.830 -4.201 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 294 . 1 1 2 TRP HB3 H 2.271 4.816 -4.296 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 295 . 1 1 2 TRP HD1 H 0.986 4.535 -1.533 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 2 . 296 . 1 1 2 TRP HE1 H 2.165 5.345 0.606 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 2 . 297 . 1 1 2 TRP HE3 H 5.814 4.530 -3.216 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 298 . 1 1 2 TRP HH2 H 7.100 5.893 0.620 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 2 . 299 . 1 1 2 TRP HZ2 H 4.794 5.909 1.466 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 2 . 300 . 1 1 2 TRP HZ3 H 7.601 5.218 -1.671 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 2 . 301 . 1 1 2 TRP N N 2.343 1.787 -2.837 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 2 . 302 . 1 1 2 TRP NE1 N 2.636 5.132 -0.227 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 2 . 303 . 1 1 2 TRP O O 2.200 0.964 -5.406 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 2 . 304 . 1 1 3 LYS C C 3.248 2.852 -8.239 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 2 . 305 . 1 1 3 LYS CA C 1.875 2.578 -7.636 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 2 . 306 . 1 1 3 LYS CB C 0.794 3.284 -8.457 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 2 . 307 . 1 1 3 LYS CD C -0.471 3.405 -10.623 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 2 . 308 . 1 1 3 LYS CE C -0.355 4.912 -10.794 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 2 . 309 . 1 1 3 LYS CG C 0.738 2.831 -9.906 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 2 . 310 . 1 1 3 LYS H H 1.655 3.962 -6.049 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 2 . 311 . 1 1 3 LYS HA H 1.692 1.514 -7.656 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 2 . 312 . 1 1 3 LYS HB2 H -0.168 3.094 -8.004 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 313 . 1 1 3 LYS HB3 H 0.985 4.347 -8.441 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 314 . 1 1 3 LYS HD2 H -0.552 2.948 -11.599 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 2 . 315 . 1 1 3 LYS HD3 H -1.360 3.184 -10.047 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 2 . 316 . 1 1 3 LYS HE2 H 0.689 5.183 -10.776 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 2 . 317 . 1 1 3 LYS HE3 H -0.782 5.187 -11.748 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 318 . 1 1 3 LYS HG2 H 1.634 3.162 -10.412 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 319 . 1 1 3 LYS HG3 H 0.684 1.752 -9.934 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 320 . 1 1 3 LYS HZ1 H -2.004 5.227 -9.551 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 2 . 321 . 1 1 3 LYS HZ2 H -0.520 5.606 -8.831 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 2 . 322 . 1 1 3 LYS HZ3 H -1.191 6.647 -9.984 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 2 . 323 . 1 1 3 LYS N N 1.820 3.015 -6.245 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 2 . 324 . 1 1 3 LYS NZ N -1.068 5.649 -9.714 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 2 . 325 . 1 1 3 LYS O O 3.933 3.798 -7.847 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 2 . 326 . 1 1 4 THR C C 4.790 2.143 -11.371 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 2 . 327 . 1 1 4 THR CA C 4.938 2.173 -9.854 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 2 . 328 . 1 1 4 THR CB C 5.922 1.071 -9.422 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 2 . 329 . 1 1 4 THR CG2 C 7.324 1.366 -9.934 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 2 . 330 . 1 1 4 THR H H 3.056 1.285 -9.465 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 2 . 331 . 1 1 4 THR HA H 5.350 3.129 -9.561 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 2 . 332 . 1 1 4 THR HB H 5.593 0.130 -9.843 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 2 . 333 . 1 1 4 THR HG1 H 5.492 0.157 -7.728 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 2 . 334 . 1 1 4 THR HG21 H 7.833 0.437 -10.147 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 2 . 335 . 1 1 4 THR HG22 H 7.262 1.959 -10.834 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 2 . 336 . 1 1 4 THR HG23 H 7.874 1.913 -9.181 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 2 . 337 . 1 1 4 THR N N 3.647 2.020 -9.196 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 2 . 338 . 1 1 4 THR O O 4.242 1.193 -11.931 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 2 . 339 . 1 1 4 THR OG1 O 5.942 0.962 -7.995 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 2 . 340 . 1 1 5 ILE C C 6.426 3.989 -14.054 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 2 . 341 . 1 1 5 ILE CA C 5.205 3.276 -13.483 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 2 . 342 . 1 1 5 ILE CB C 3.934 4.018 -13.934 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 2 . 343 . 1 1 5 ILE CD1 C 1.409 4.116 -13.622 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 2 . 344 . 1 1 5 ILE CG1 C 2.697 3.401 -13.277 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 2 . 345 . 1 1 5 ILE CG2 C 3.808 3.980 -15.450 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 2 . 346 . 1 1 5 ILE H H 5.708 3.912 -11.527 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 2 . 347 . 1 1 5 ILE HA H 5.171 2.270 -13.877 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 2 . 348 . 1 1 5 ILE HB H 4.018 5.049 -13.630 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 2 . 349 . 1 1 5 ILE HD11 H 0.594 3.677 -13.068 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 2 . 350 . 1 1 5 ILE HD12 H 1.498 5.162 -13.364 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 2 . 351 . 1 1 5 ILE HD13 H 1.218 4.023 -14.681 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 2 . 352 . 1 1 5 ILE HG12 H 2.601 2.376 -13.594 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 2 . 353 . 1 1 5 ILE HG13 H 2.817 3.432 -12.203 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 2 . 354 . 1 1 5 ILE HG21 H 3.779 4.989 -15.834 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 2 . 355 . 1 1 5 ILE HG22 H 4.657 3.459 -15.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 2 . 356 . 1 1 5 ILE HG23 H 2.899 3.465 -15.723 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 2 . 357 . 1 1 5 ILE N N 5.282 3.186 -12.029 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 2 . 358 . 1 1 5 ILE O O 6.778 5.086 -13.619 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 2 . 359 . 1 1 6 . C C 9.365 4.155 -14.655 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 2 . 360 . 1 1 6 . CA C 8.249 3.931 -15.667 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 2 . 361 . 1 1 6 . CB C 7.898 5.249 -16.363 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 2 . 362 . 1 1 6 . CD C 6.108 6.508 -17.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 2 . 363 . 1 1 6 . CE C 5.348 6.992 -16.372 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 2 . 364 . 1 1 6 . CG C 6.746 5.149 -17.354 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 2 . 365 . 1 1 6 . CH C 5.638 8.640 -14.530 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 2 . 366 . 1 1 6 . CH3 C 4.481 9.598 -14.379 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 2 . 367 . 1 1 6 . H H 6.729 2.460 -15.345 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 2 . 368 . 1 1 6 . HB2 H 7.632 5.996 -15.616 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 369 . 1 1 6 . HB3 H 8.771 5.620 -16.900 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 370 . 1 1 6 . HCA H 8.614 3.229 -16.418 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 2 . 371 . 1 1 6 . HD2 H 6.882 7.234 -17.847 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 2 . 372 . 1 1 6 . HD3 H 5.417 6.440 -18.439 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 2 . 373 . 1 1 6 . HE2 H 4.309 7.178 -16.637 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 2 . 374 . 1 1 6 . HE3 H 5.371 6.219 -15.603 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 375 . 1 1 6 . HG2 H 7.116 4.754 -18.303 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 376 . 1 1 6 . HG3 H 5.991 4.466 -16.967 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 377 . 1 1 6 . HH31 H 4.098 9.866 -15.364 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 2 . 378 . 1 1 6 . HH32 H 3.690 9.124 -13.798 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 2 . 379 . 1 1 6 . HH33 H 4.820 10.497 -13.865 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 2 . 380 . 1 1 6 . HZ H 6.939 8.173 -15.814 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 2 . 381 . 1 1 6 . N N 7.068 3.359 -15.033 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 2 . 382 . 1 1 6 . NZ N 5.932 8.241 -15.813 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 2 . 383 . 1 1 6 . O O 10.113 5.127 -14.744 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 2 . 384 . 1 1 6 . OH O 6.335 8.195 -13.557 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 2 . 385 . 1 1 7 GLY C C 10.501 4.721 -12.002 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 2 . 386 . 1 1 7 GLY CA C 10.500 3.361 -12.673 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 2 . 387 . 1 1 7 GLY H H 8.847 2.490 -13.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 2 . 388 . 1 1 7 GLY HA2 H 10.338 2.601 -11.924 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 2 . 389 . 1 1 7 GLY HA3 H 11.464 3.199 -13.133 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 2 . 390 . 1 1 7 GLY N N 9.472 3.246 -13.691 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 2 . 391 . 1 1 7 GLY O O 11.516 5.417 -11.997 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 2 . 392 . 1 1 8 . C C 8.245 6.300 -9.601 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 2 . 393 . 1 1 8 . CA C 9.231 6.383 -10.758 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 2 . 394 . 1 1 8 . CB C 8.793 7.467 -11.745 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 2 . 395 . 1 1 8 . CD C 10.585 8.513 -13.163 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 2 . 396 . 1 1 8 . CE C 9.983 9.357 -14.277 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 2 . 397 . 1 1 8 . CG C 9.772 8.625 -11.882 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 2 . 398 . 1 1 8 . CH C 11.752 10.341 -15.726 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 2 . 399 . 1 1 8 . CH3 C 12.441 10.322 -17.070 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 2 . 400 . 1 1 8 . H H 8.563 4.481 -11.473 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 2 . 401 . 1 1 8 . HB2 H 8.655 7.027 -12.732 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 402 . 1 1 8 . HB3 H 7.831 7.876 -11.433 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 403 . 1 1 8 . HCA H 10.204 6.659 -10.348 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 2 . 404 . 1 1 8 . HD2 H 11.607 8.845 -12.977 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 2 . 405 . 1 1 8 . HD3 H 10.615 7.472 -13.485 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 2 . 406 . 1 1 8 . HE2 H 8.995 8.977 -14.529 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 2 . 407 . 1 1 8 . HE3 H 9.876 10.387 -13.935 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 408 . 1 1 8 . HG2 H 9.223 9.568 -11.892 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 409 . 1 1 8 . HG3 H 10.452 8.630 -11.031 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 410 . 1 1 8 . HH31 H 12.078 9.475 -17.653 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 2 . 411 . 1 1 8 . HH32 H 12.225 11.249 -17.601 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 2 . 412 . 1 1 8 . HH33 H 13.515 10.227 -16.925 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 2 . 413 . 1 1 8 . HZ H 11.382 8.502 -15.523 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 2 . 414 . 1 1 8 . N N 9.360 5.099 -11.434 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 2 . 415 . 1 1 8 . NZ N 10.829 9.346 -15.502 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 2 . 416 . 1 1 8 . O O 7.295 5.517 -9.635 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 2 . 417 . 1 1 8 . OH O 11.977 11.208 -14.815 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 2 . 418 . 1 1 9 THR C C 6.799 8.419 -7.335 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 2 . 419 . 1 1 9 THR CA C 7.608 7.128 -7.402 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 2 . 420 . 1 1 9 THR CB C 8.417 6.975 -6.101 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 2 . 421 . 1 1 9 THR CG2 C 7.830 5.879 -5.224 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 2 . 422 . 1 1 9 THR H H 9.250 7.711 -8.604 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 2 . 423 . 1 1 9 THR HA H 6.928 6.292 -7.479 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 2 . 424 . 1 1 9 THR HB H 8.378 7.908 -5.559 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 2 . 425 . 1 1 9 THR HG1 H 9.821 5.857 -6.919 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 2 . 426 . 1 1 9 THR HG21 H 8.244 4.924 -5.515 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 2 . 427 . 1 1 9 THR HG22 H 8.072 6.076 -4.190 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 2 . 428 . 1 1 9 THR HG23 H 6.756 5.857 -5.345 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 2 . 429 . 1 1 9 THR N N 8.476 7.110 -8.573 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 2 . 430 . 1 1 9 THR O O 6.873 9.255 -8.236 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 2 . 431 . 1 1 9 THR OG1 O 9.783 6.668 -6.406 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 2 . 432 . 1 1 10 TRP C C 4.446 9.703 -4.762 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 2 . 433 . 1 1 10 TRP CA C 5.208 9.765 -6.081 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 2 . 434 . 1 1 10 TRP CB C 4.227 9.917 -7.244 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 2 . 435 . 1 1 10 TRP CD1 C 2.602 7.954 -6.969 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 2 . 436 . 1 1 10 TRP CD2 C 3.863 7.855 -8.819 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 2 . 437 . 1 1 10 TRP CE2 C 3.020 6.726 -8.787 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 2 . 438 . 1 1 10 TRP CE3 C 4.744 8.007 -9.891 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 2 . 439 . 1 1 10 TRP CG C 3.579 8.627 -7.647 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 2 . 440 . 1 1 10 TRP CH2 C 3.910 5.931 -10.826 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 2 . 441 . 1 1 10 TRP CZ2 C 3.037 5.756 -9.786 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 2 . 442 . 1 1 10 TRP CZ3 C 4.760 7.044 -10.882 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 2 . 443 . 1 1 10 TRP H H 6.013 7.871 -5.581 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 2 . 444 . 1 1 10 TRP HA H 5.866 10.621 -6.064 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 2 . 445 . 1 1 10 TRP HB2 H 3.447 10.608 -6.962 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 446 . 1 1 10 TRP HB3 H 4.755 10.307 -8.103 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 447 . 1 1 10 TRP HD1 H 2.172 8.284 -6.037 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 2 . 448 . 1 1 10 TRP HE1 H 1.584 6.160 -7.366 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 2 . 449 . 1 1 10 TRP HE3 H 5.407 8.857 -9.953 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 450 . 1 1 10 TRP HH2 H 3.957 5.204 -11.622 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 2 . 451 . 1 1 10 TRP HZ2 H 2.387 4.894 -9.757 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 2 . 452 . 1 1 10 TRP HZ3 H 5.436 7.144 -11.720 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 2 . 453 . 1 1 10 TRP N N 6.030 8.574 -6.265 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 2 . 454 . 1 1 10 TRP NE1 N 2.261 6.809 -7.650 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 2 . 455 . 1 1 10 TRP O O 4.223 10.726 -4.114 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 2 . 456 . 1 1 11 ARG C C 1.956 8.998 -3.185 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 2 . 457 . 1 1 11 ARG CA C 3.313 8.302 -3.127 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 2 . 458 . 1 1 11 ARG CB C 4.119 8.832 -1.940 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 2 . 459 . 1 1 11 ARG CD C 2.809 9.524 0.089 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 2 . 460 . 1 1 11 ARG CG C 3.574 8.399 -0.589 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 2 . 461 . 1 1 11 ARG CZ C 0.808 9.819 1.486 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 2 . 462 . 1 1 11 ARG H H 4.259 7.718 -4.927 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 2 . 463 . 1 1 11 ARG HA H 3.154 7.241 -2.998 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 2 . 464 . 1 1 11 ARG HB2 H 5.136 8.477 -2.024 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 465 . 1 1 11 ARG HB3 H 4.120 9.911 -1.974 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 466 . 1 1 11 ARG HD2 H 3.467 10.018 0.788 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 2 . 467 . 1 1 11 ARG HD3 H 2.489 10.230 -0.664 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 2 . 468 . 1 1 11 ARG HE H 1.459 8.070 0.784 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 2 . 469 . 1 1 11 ARG HG2 H 2.907 7.561 -0.733 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 470 . 1 1 11 ARG HG3 H 4.398 8.103 0.042 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 471 . 1 1 11 ARG HH11 H 1.807 11.523 1.062 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 2 . 472 . 1 1 11 ARG HH12 H 0.394 11.717 2.046 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 2 . 473 . 1 1 11 ARG HH21 H -0.403 8.313 2.078 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 2 . 474 . 1 1 11 ARG HH22 H -0.862 9.891 2.624 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 2 . 475 . 1 1 11 ARG N N 4.051 8.496 -4.369 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 2 . 476 . 1 1 11 ARG NE N 1.636 9.033 0.808 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 2 . 477 . 1 1 11 ARG NH1 N 1.021 11.127 1.536 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 2 . 478 . 1 1 11 ARG NH2 N -0.239 9.298 2.114 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 2 . 479 . 1 1 11 ARG O O 1.872 10.226 -3.124 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 2 . 480 . 1 1 12 THR C C -1.253 8.397 -2.120 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 2 . 481 . 1 1 12 THR CA C -0.457 8.747 -3.373 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 2 . 482 . 1 1 12 THR CB C -1.210 8.221 -4.609 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 2 . 483 . 1 1 12 THR CG2 C -1.069 6.711 -4.726 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 2 . 484 . 1 1 12 THR H H 1.026 7.237 -3.348 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 2 . 485 . 1 1 12 THR HA H -0.384 9.821 -3.453 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 2 . 486 . 1 1 12 THR HB H -0.786 8.677 -5.492 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 2 . 487 . 1 1 12 THR HG1 H -3.025 8.023 -3.860 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 2 . 488 . 1 1 12 THR HG21 H -1.579 6.369 -5.615 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 2 . 489 . 1 1 12 THR HG22 H -0.023 6.450 -4.789 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 2 . 490 . 1 1 12 THR HG23 H -1.505 6.240 -3.858 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 2 . 491 . 1 1 12 THR N N 0.895 8.207 -3.305 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 2 . 492 . 1 1 12 THR O O -2.010 9.220 -1.604 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 2 . 493 . 1 1 12 THR OG1 O -2.597 8.569 -4.524 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 2 . 494 . 1 1 13 . C C -0.795 6.303 0.649 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 2 . 495 . 1 1 13 . CA C -1.776 6.713 -0.442 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 2 . 496 . 1 1 13 . CB C -2.704 5.545 -0.782 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 2 . 497 . 1 1 13 . CD C -4.953 4.452 -0.526 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 2 . 498 . 1 1 13 . CE C -5.914 4.641 -1.692 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 2 . 499 . 1 1 13 . CG C -4.131 5.710 -0.277 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 2 . 500 . 1 1 13 . CH C -7.404 2.659 -1.471 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 2 . 501 . 1 1 13 . CH3 C -7.065 1.238 -1.095 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 2 . 502 . 1 1 13 . H H -0.440 6.544 -2.104 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 2 . 503 . 1 1 13 . HB2 H -2.744 5.414 -1.863 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 504 . 1 1 13 . HB3 H -2.302 4.625 -0.356 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 505 . 1 1 13 . HCA H -2.381 7.536 -0.056 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 2 . 506 . 1 1 13 . HD2 H -4.286 3.619 -0.746 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 2 . 507 . 1 1 13 . HD3 H -5.527 4.209 0.369 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 2 . 508 . 1 1 13 . HE2 H -6.746 5.268 -1.379 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 2 . 509 . 1 1 13 . HE3 H -5.397 5.142 -2.511 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 2 . 510 . 1 1 13 . HG2 H -4.117 5.918 0.794 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 511 . 1 1 13 . HG3 H -4.603 6.548 -0.787 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 512 . 1 1 13 . HH31 H -7.321 1.066 -0.049 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 2 . 513 . 1 1 13 . HH32 H -7.633 0.551 -1.724 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 2 . 514 . 1 1 13 . HH33 H -5.999 1.068 -1.240 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 2 . 515 . 1 1 13 . HZ H -6.880 3.478 -3.089 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 2 . 516 . 1 1 13 . N N -1.076 7.173 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 2 . 517 . 1 1 13 . NZ N -6.448 3.343 -2.187 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 2 . 518 . 1 1 13 . O O 0.406 6.545 0.539 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 2 . 519 . 1 1 13 . OH O -8.499 3.242 -1.168 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 2 . 520 . 1 1 14 GLN C C -0.279 3.727 2.772 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 2 . 521 . 1 1 14 GLN CA C -0.484 5.238 2.814 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 2 . 522 . 1 1 14 GLN CB C -1.120 5.641 4.146 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 2 . 523 . 1 1 14 GLN CD C 0.908 6.962 4.868 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 2 . 524 . 1 1 14 GLN CG C -0.598 6.958 4.695 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 2 . 525 . 1 1 14 GLN H H -2.281 5.517 1.731 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 2 . 526 . 1 1 14 GLN HA H 0.476 5.721 2.724 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 2 . 527 . 1 1 14 GLN HB2 H -2.188 5.730 4.010 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 528 . 1 1 14 GLN HB3 H -0.922 4.868 4.874 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 529 . 1 1 14 GLN HE21 H 0.964 8.924 4.548 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 2 . 530 . 1 1 14 GLN HE22 H 2.488 8.169 4.848 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 2 . 531 . 1 1 14 GLN HG2 H -0.868 7.750 4.014 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 2 . 532 . 1 1 14 GLN HG3 H -1.056 7.139 5.657 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 2 . 533 . 1 1 14 GLN N N -1.316 5.681 1.702 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 2 . 534 . 1 1 14 GLN NE2 N 1.515 8.136 4.741 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 2 . 535 . 1 1 14 GLN O O -0.996 2.974 3.430 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 2 . 536 . 1 1 14 GLN OE1 O 1.520 5.922 5.112 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 2 . 537 . 1 1 15 CYS C C 1.179 1.223 3.234 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 2 . 538 . 1 1 15 CYS CA C 1.006 1.870 1.864 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 2 . 539 . 1 1 15 CYS CB C 2.272 1.670 1.028 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 2 . 540 . 1 1 15 CYS H H 1.244 3.941 1.493 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 2 . 541 . 1 1 15 CYS HA H 0.175 1.399 1.361 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 2 . 542 . 1 1 15 CYS HB2 H 2.404 2.522 0.378 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 2 . 543 . 1 1 15 CYS HB3 H 3.122 1.593 1.690 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 2 . 544 . 1 1 15 CYS N N 0.706 3.291 1.993 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 2 . 545 . 1 1 15 CYS O O 1.725 1.833 4.154 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 2 . 546 . 1 1 15 CYS SG S 2.246 0.177 -0.015 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 2 . 547 . 1 1 16 NH2 HN1 H -0.257 -0.155 3.391 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 2 . 548 . 1 1 16 NH2 N N 0.750 0.023 3.432 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 3 . 549 . 1 1 1 ACE C C 1.595 1.001 -2.182 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 3 . 550 . 1 1 1 ACE CH3 C 2.198 0.059 -1.160 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 3 . 551 . 1 1 1 ACE H1 H 3.205 -0.147 -1.524 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 3 . 552 . 1 1 1 ACE H2 H 1.411 -0.693 -1.123 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 3 . 553 . 1 1 1 ACE O O 0.387 0.982 -2.416 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 3 . 554 . 1 1 2 TRP C C 2.055 2.186 -5.192 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 3 . 555 . 1 1 2 TRP CA C 1.978 2.785 -3.792 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 3 . 556 . 1 1 2 TRP CB C 2.813 4.065 -3.725 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 3 . 557 . 1 1 2 TRP CD1 C 2.110 4.738 -1.354 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 3 . 558 . 1 1 2 TRP CD2 C 4.309 4.901 -1.744 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 3 . 559 . 1 1 2 TRP CE2 C 4.057 5.297 -0.416 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 3 . 560 . 1 1 2 TRP CE3 C 5.625 4.920 -2.214 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 3 . 561 . 1 1 2 TRP CG C 3.050 4.547 -2.326 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 3 . 562 . 1 1 2 TRP CH2 C 6.352 5.716 -0.043 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 3 . 563 . 1 1 2 TRP CZ2 C 5.073 5.706 0.444 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 3 . 564 . 1 1 2 TRP CZ3 C 6.631 5.328 -1.360 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 3 . 565 . 1 1 2 TRP H H 3.389 1.797 -2.561 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 3 . 566 . 1 1 2 TRP HA H 0.948 3.026 -3.573 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 3 . 567 . 1 1 2 TRP HB2 H 3.773 3.885 -4.183 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 568 . 1 1 2 TRP HB3 H 2.300 4.848 -4.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 569 . 1 1 2 TRP HD1 H 1.053 4.558 -1.487 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 3 . 570 . 1 1 2 TRP HE1 H 2.244 5.398 0.635 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 3 . 571 . 1 1 2 TRP HE3 H 5.861 4.624 -3.226 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 572 . 1 1 2 TRP HH2 H 7.169 6.027 0.589 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 3 . 573 . 1 1 2 TRP HZ2 H 4.874 6.008 1.462 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 3 . 574 . 1 1 2 TRP HZ3 H 7.655 5.350 -1.706 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 3 . 575 . 1 1 2 TRP N N 2.436 1.830 -2.790 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 3 . 576 . 1 1 2 TRP NE1 N 2.709 5.189 -0.203 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 3 . 577 . 1 1 2 TRP O O 2.283 0.987 -5.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 3 . 578 . 1 1 3 LYS C C 3.283 2.854 -8.201 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 3 . 579 . 1 1 3 LYS CA C 1.912 2.581 -7.590 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 3 . 580 . 1 1 3 LYS CB C 0.828 3.282 -8.411 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 3 . 581 . 1 1 3 LYS CD C -0.490 3.338 -10.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 3 . 582 . 1 1 3 LYS CE C -0.480 4.858 -10.602 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 3 . 583 . 1 1 3 LYS CG C 0.745 2.797 -9.848 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 3 . 584 . 1 1 3 LYS H H 1.686 3.972 -6.010 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 3 . 585 . 1 1 3 LYS HA H 1.731 1.517 -7.603 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 3 . 586 . 1 1 3 LYS HB2 H -0.129 3.113 -7.940 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 587 . 1 1 3 LYS HB3 H 1.031 4.344 -8.422 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 588 . 1 1 3 LYS HD2 H -0.519 2.954 -11.557 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 3 . 589 . 1 1 3 LYS HD3 H -1.370 3.011 -10.012 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 3 . 590 . 1 1 3 LYS HE2 H 0.523 5.206 -10.409 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 3 . 591 . 1 1 3 LYS HE3 H -0.786 5.172 -11.589 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 592 . 1 1 3 LYS HG2 H 1.623 3.130 -10.382 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 593 . 1 1 3 LYS HG3 H 0.706 1.717 -9.853 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 594 . 1 1 3 LYS HZ1 H -2.357 5.548 -9.998 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 3 . 595 . 1 1 3 LYS HZ2 H -1.452 4.848 -8.753 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 3 . 596 . 1 1 3 LYS HZ3 H -1.062 6.396 -9.314 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 3 . 597 . 1 1 3 LYS N N 1.864 3.028 -6.202 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 3 . 598 . 1 1 3 LYS NZ N -1.403 5.455 -9.596 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 3 . 599 . 1 1 3 LYS O O 3.960 3.814 -7.831 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 3 . 600 . 1 1 4 THR C C 4.827 2.096 -11.318 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 3 . 601 . 1 1 4 THR CA C 4.977 2.154 -9.802 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 3 . 602 . 1 1 4 THR CB C 5.969 1.064 -9.354 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 3 . 603 . 1 1 4 THR CG2 C 7.362 1.346 -9.893 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 3 . 604 . 1 1 4 THR H H 3.103 1.259 -9.392 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 3 . 605 . 1 1 4 THR HA H 5.384 3.117 -9.527 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 3 . 606 . 1 1 4 THR HB H 5.634 0.113 -9.743 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 3 . 607 . 1 1 4 THR HG1 H 5.245 0.511 -7.605 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 3 . 608 . 1 1 4 THR HG21 H 7.468 2.404 -10.082 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 3 . 609 . 1 1 4 THR HG22 H 8.099 1.034 -9.168 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 3 . 610 . 1 1 4 THR HG23 H 7.511 0.799 -10.813 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 3 . 611 . 1 1 4 THR N N 3.687 2.005 -9.140 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 3 . 612 . 1 1 4 THR O O 4.300 1.125 -11.862 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 3 . 613 . 1 1 4 THR OG1 O 6.009 0.997 -7.924 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 3 . 614 . 1 1 5 ILE C C 6.414 3.936 -14.035 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 3 . 615 . 1 1 5 ILE CA C 5.210 3.206 -13.449 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 3 . 616 . 1 1 5 ILE CB C 3.922 3.914 -13.909 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 3 . 617 . 1 1 5 ILE CD1 C 1.393 3.940 -13.622 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 3 . 618 . 1 1 5 ILE CG1 C 2.701 3.288 -13.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 3 . 619 . 1 1 5 ILE CG2 C 3.789 3.841 -15.422 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 3 . 620 . 1 1 5 ILE H H 5.700 3.884 -11.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 3 . 621 . 1 1 5 ILE HA H 5.197 2.194 -13.828 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 3 . 622 . 1 1 5 ILE HB H 3.989 4.953 -13.627 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 3 . 623 . 1 1 5 ILE HD11 H 0.757 3.212 -14.103 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 3 . 624 . 1 1 5 ILE HD12 H 0.901 4.318 -12.737 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 3 . 625 . 1 1 5 ILE HD13 H 1.586 4.757 -14.302 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 3 . 626 . 1 1 5 ILE HG12 H 2.644 2.245 -13.498 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 3 . 627 . 1 1 5 ILE HG13 H 2.809 3.375 -12.159 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 3 . 628 . 1 1 5 ILE HG21 H 2.909 3.271 -15.679 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 3 . 629 . 1 1 5 ILE HG22 H 3.702 4.840 -15.825 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 3 . 630 . 1 1 5 ILE HG23 H 4.663 3.361 -15.838 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 3 . 631 . 1 1 5 ILE N N 5.291 3.141 -11.995 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 3 . 632 . 1 1 5 ILE O O 6.762 5.032 -13.596 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 3 . 633 . 1 1 6 . C C 9.333 4.154 -14.679 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 3 . 634 . 1 1 6 . CA C 8.209 3.910 -15.679 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 3 . 635 . 1 1 6 . CB C 7.830 5.219 -16.374 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 3 . 636 . 1 1 6 . CD C 6.005 6.439 -17.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 3 . 637 . 1 1 6 . CE C 5.212 6.882 -16.378 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 3 . 638 . 1 1 6 . CG C 6.679 5.095 -17.363 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 3 . 639 . 1 1 6 . CH C 5.654 8.507 -14.545 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 3 . 640 . 1 1 6 . CH3 C 4.798 9.670 -14.106 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 3 . 641 . 1 1 6 . H H 6.709 2.421 -15.344 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 3 . 642 . 1 1 6 . HB2 H 7.550 5.960 -15.626 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 643 . 1 1 6 . HB3 H 8.695 5.609 -16.912 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 644 . 1 1 6 . HCA H 8.578 3.211 -16.431 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 3 . 645 . 1 1 6 . HD2 H 6.762 7.190 -17.825 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 3 . 646 . 1 1 6 . HD3 H 5.330 6.363 -18.451 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 3 . 647 . 1 1 6 . HE2 H 4.154 6.924 -16.627 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 3 . 648 . 1 1 6 . HE3 H 5.346 6.156 -15.575 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 649 . 1 1 6 . HG2 H 7.056 4.716 -18.315 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 650 . 1 1 6 . HG3 H 5.943 4.391 -16.978 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 651 . 1 1 6 . HH31 H 5.313 10.605 -14.327 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 3 . 652 . 1 1 6 . HH32 H 3.848 9.644 -14.642 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 3 . 653 . 1 1 6 . HH33 H 4.614 9.602 -13.035 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 3 . 654 . 1 1 6 . HZ H 6.599 8.391 -16.175 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 3 . 655 . 1 1 6 . N N 7.045 3.321 -15.030 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 3 . 656 . 1 1 6 . NZ N 5.646 8.220 -15.890 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 3 . 657 . 1 1 6 . O O 10.069 5.134 -14.785 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 3 . 658 . 1 1 6 . OH O 6.364 7.798 -13.756 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 3 . 659 . 1 1 7 GLY C C 10.490 4.755 -12.043 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 3 . 660 . 1 1 7 GLY CA C 10.497 3.390 -12.703 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 3 . 661 . 1 1 7 GLY H H 8.843 2.493 -13.675 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 3 . 662 . 1 1 7 GLY HA2 H 10.349 2.635 -11.944 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 3 . 663 . 1 1 7 GLY HA3 H 11.458 3.234 -13.170 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 3 . 664 . 1 1 7 GLY N N 9.460 3.255 -13.708 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 3 . 665 . 1 1 7 GLY O O 11.497 5.463 -12.057 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 3 . 666 . 1 1 8 . C C 8.239 6.332 -9.635 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 3 . 667 . 1 1 8 . CA C 9.216 6.415 -10.801 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 3 . 668 . 1 1 8 . CB C 8.760 7.487 -11.793 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 3 . 669 . 1 1 8 . CD C 10.492 8.552 -13.271 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 3 . 670 . 1 1 8 . CE C 9.723 9.213 -14.404 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 3 . 671 . 1 1 8 . CG C 9.732 8.647 -11.956 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 3 . 672 . 1 1 8 . CH C 9.392 9.019 -16.864 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 3 . 673 . 1 1 8 . CH3 C 9.920 8.453 -18.160 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 3 . 674 . 1 1 8 . H H 8.561 4.499 -11.490 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 3 . 675 . 1 1 8 . HB2 H 8.612 7.035 -12.774 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 676 . 1 1 8 . HB3 H 7.800 7.895 -11.473 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 677 . 1 1 8 . HCA H 10.189 6.704 -10.401 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 3 . 678 . 1 1 8 . HD2 H 11.461 9.040 -13.167 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 3 . 679 . 1 1 8 . HD3 H 10.658 7.504 -13.520 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 3 . 680 . 1 1 8 . HE2 H 8.656 9.170 -14.195 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 3 . 681 . 1 1 8 . HE3 H 10.013 10.261 -14.478 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 682 . 1 1 8 . HG2 H 9.181 9.590 -11.932 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 683 . 1 1 8 . HG3 H 10.445 8.642 -11.133 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 684 . 1 1 8 . HH31 H 10.992 8.634 -18.228 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 3 . 685 . 1 1 8 . HH32 H 9.730 7.379 -18.190 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 3 . 686 . 1 1 8 . HH33 H 9.416 8.934 -18.997 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 3 . 687 . 1 1 8 . HZ H 10.970 8.590 -15.920 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 3 . 688 . 1 1 8 . N N 9.352 5.126 -11.467 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 3 . 689 . 1 1 8 . NZ N 9.982 8.551 -15.712 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 3 . 690 . 1 1 8 . O O 7.299 5.538 -9.652 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 3 . 691 . 1 1 8 . OH O 8.456 9.883 -16.785 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 3 . 692 . 1 1 9 THR C C 6.785 8.461 -7.383 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 3 . 693 . 1 1 9 THR CA C 7.609 7.179 -7.441 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 3 . 694 . 1 1 9 THR CB C 8.430 7.051 -6.144 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 3 . 695 . 1 1 9 THR CG2 C 7.840 5.984 -5.234 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 3 . 696 . 1 1 9 THR H H 9.233 7.770 -8.663 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 3 . 697 . 1 1 9 THR HA H 6.938 6.334 -7.504 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 3 . 698 . 1 1 9 THR HB H 8.407 7.999 -5.627 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 3 . 699 . 1 1 9 THR HG1 H 9.821 5.857 -6.871 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 3 . 700 . 1 1 9 THR HG21 H 6.787 5.870 -5.448 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 3 . 701 . 1 1 9 THR HG22 H 8.346 5.046 -5.403 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 3 . 702 . 1 1 9 THR HG23 H 7.966 6.281 -4.203 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 3 . 703 . 1 1 9 THR N N 8.468 7.159 -8.619 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 3 . 704 . 1 1 9 THR O O 6.848 9.291 -8.290 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 3 . 705 . 1 1 9 THR OG1 O 9.789 6.722 -6.455 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 3 . 706 . 1 1 10 TRP C C 4.421 9.736 -4.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 3 . 707 . 1 1 10 TRP CA C 5.178 9.797 -6.136 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 3 . 708 . 1 1 10 TRP CB C 4.193 9.927 -7.299 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 3 . 709 . 1 1 10 TRP CD1 C 2.594 7.945 -7.005 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 3 . 710 . 1 1 10 TRP CD2 C 3.853 7.847 -8.855 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 3 . 711 . 1 1 10 TRP CE2 C 3.025 6.708 -8.814 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 3 . 712 . 1 1 10 TRP CE3 C 4.731 8.002 -9.930 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 3 . 713 . 1 1 10 TRP CG C 3.561 8.626 -7.690 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 3 . 714 . 1 1 10 TRP CH2 C 3.923 5.909 -10.847 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 3 . 715 . 1 1 10 TRP CZ2 C 3.053 5.731 -9.805 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 3 . 716 . 1 1 10 TRP CZ3 C 4.758 7.032 -10.915 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 3 . 717 . 1 1 10 TRP H H 6.007 7.918 -5.624 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 3 . 718 . 1 1 10 TRP HA H 5.826 10.661 -6.128 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 3 . 719 . 1 1 10 TRP HB2 H 3.404 10.609 -7.019 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 720 . 1 1 10 TRP HB3 H 4.713 10.318 -8.161 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 721 . 1 1 10 TRP HD1 H 2.160 8.277 -6.074 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 3 . 722 . 1 1 10 TRP HE1 H 1.599 6.134 -7.386 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 3 . 723 . 1 1 10 TRP HE3 H 5.383 8.861 -10.000 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 724 . 1 1 10 TRP HH2 H 3.978 5.176 -11.638 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 3 . 725 . 1 1 10 TRP HZ2 H 2.415 4.860 -9.769 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 3 . 726 . 1 1 10 TRP HZ3 H 5.431 7.135 -11.753 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 3 . 727 . 1 1 10 TRP N N 6.015 8.615 -6.313 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 3 . 728 . 1 1 10 TRP NE1 N 2.268 6.791 -7.675 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 3 . 729 . 1 1 10 TRP O O 4.188 10.761 -4.176 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 3 . 730 . 1 1 11 ARG C C 1.944 9.017 -3.226 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 3 . 731 . 1 1 11 ARG CA C 3.307 8.335 -3.165 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 3 . 732 . 1 1 11 ARG CB C 4.113 8.883 -1.985 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 3 . 733 . 1 1 11 ARG CD C 2.793 9.577 0.037 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 3 . 734 . 1 1 11 ARG CG C 3.574 8.456 -0.630 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 3 . 735 . 1 1 11 ARG CZ C 3.051 11.035 1.999 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 3 . 736 . 1 1 11 ARG H H 4.255 7.749 -4.965 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 3 . 737 . 1 1 11 ARG HA H 3.160 7.275 -3.028 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 3 . 738 . 1 1 11 ARG HB2 H 5.133 8.537 -2.069 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 739 . 1 1 11 ARG HB3 H 4.102 9.962 -2.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 740 . 1 1 11 ARG HD2 H 2.499 10.292 -0.717 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 3 . 741 . 1 1 11 ARG HD3 H 1.910 9.158 0.497 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 3 . 742 . 1 1 11 ARG HE H 4.552 10.134 1.042 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 3 . 743 . 1 1 11 ARG HG2 H 2.920 7.607 -0.765 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 744 . 1 1 11 ARG HG3 H 4.402 8.179 0.004 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 745 . 1 1 11 ARG HH11 H 1.147 10.781 1.375 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 3 . 746 . 1 1 11 ARG HH12 H 1.343 11.806 2.757 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 3 . 747 . 1 1 11 ARG HH21 H 4.824 11.483 2.862 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 3 . 748 . 1 1 11 ARG HH22 H 3.436 12.206 3.602 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 3 . 749 . 1 1 11 ARG N N 4.040 8.529 -4.412 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 3 . 750 . 1 1 11 ARG NE N 3.581 10.260 1.059 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 3 . 751 . 1 1 11 ARG NH1 N 1.740 11.223 2.047 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 3 . 752 . 1 1 11 ARG NH2 N 3.834 11.623 2.895 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 3 . 753 . 1 1 11 ARG O O 1.848 10.244 -3.172 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 3 . 754 . 1 1 12 THR C C -1.247 8.415 -2.137 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 3 . 755 . 1 1 12 THR CA C -0.467 8.739 -3.406 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 3 . 756 . 1 1 12 THR CB C -1.228 8.174 -4.620 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 3 . 757 . 1 1 12 THR CG2 C -1.071 6.663 -4.702 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 3 . 758 . 1 1 12 THR H H 1.032 7.245 -3.374 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 3 . 759 . 1 1 12 THR HA H -0.405 9.812 -3.514 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 3 . 760 . 1 1 12 THR HB H -0.816 8.612 -5.519 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 3 . 761 . 1 1 12 THR HG1 H -3.081 7.823 -4.047 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 3 . 762 . 1 1 12 THR HG21 H -0.023 6.414 -4.786 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 3 . 763 . 1 1 12 THR HG22 H -1.478 6.210 -3.810 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 3 . 764 . 1 1 12 THR HG23 H -1.600 6.292 -5.568 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 3 . 765 . 1 1 12 THR N N 0.891 8.214 -3.337 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 3 . 766 . 1 1 12 THR O O -2.015 9.239 -1.640 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 3 . 767 . 1 1 12 THR OG1 O -2.616 8.510 -4.530 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 3 . 768 . 1 1 13 . C C -0.733 6.369 0.674 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 3 . 769 . 1 1 13 . CA C -1.729 6.772 -0.404 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 3 . 770 . 1 1 13 . CB C -2.674 5.609 -0.710 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 3 . 771 . 1 1 13 . CD C -5.068 4.849 -0.789 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 3 . 772 . 1 1 13 . CE C -6.273 4.571 0.097 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 3 . 773 . 1 1 13 . CG C -4.056 5.740 -0.085 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 3 . 774 . 1 1 13 . CH C -7.264 2.740 1.462 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 3 . 775 . 1 1 13 . CH3 C -8.535 2.401 0.721 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 3 . 776 . 1 1 13 . H H -0.403 6.576 -2.072 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 3 . 777 . 1 1 13 . HB2 H -2.802 5.517 -1.789 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 778 . 1 1 13 . HB3 H -2.232 4.678 -0.354 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 779 . 1 1 13 . HCA H -2.318 7.607 -0.020 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 3 . 780 . 1 1 13 . HD2 H -5.405 5.334 -1.705 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 3 . 781 . 1 1 13 . HD3 H -4.598 3.901 -1.052 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 3 . 782 . 1 1 13 . HE2 H -6.312 5.306 0.900 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 3 . 783 . 1 1 13 . HE3 H -7.187 4.661 -0.492 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 3 . 784 . 1 1 13 . HG2 H -4.007 5.459 0.968 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 785 . 1 1 13 . HG3 H -4.388 6.776 -0.150 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 786 . 1 1 13 . HH31 H -8.809 3.231 0.069 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 3 . 787 . 1 1 13 . HH32 H -8.377 1.506 0.121 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 3 . 788 . 1 1 13 . HH33 H -9.336 2.224 1.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 3 . 789 . 1 1 13 . HZ H -6.139 2.521 -0.039 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 3 . 790 . 1 1 13 . N N -1.046 7.208 -1.617 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 3 . 791 . 1 1 13 . NZ N -6.222 3.209 0.695 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 3 . 792 . 1 1 13 . O O 0.469 6.598 0.540 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 3 . 793 . 1 1 13 . OH O -7.111 2.617 2.723 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 3 . 794 . 1 1 14 GLN C C -0.199 3.820 2.823 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 3 . 795 . 1 1 14 GLN CA C -0.393 5.332 2.850 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 3 . 796 . 1 1 14 GLN CB C -1.003 5.757 4.186 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 3 . 797 . 1 1 14 GLN CD C -2.144 7.761 5.220 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 3 . 798 . 1 1 14 GLN CG C -0.952 7.257 4.430 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 3 . 799 . 1 1 14 GLN H H -2.206 5.613 1.794 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 3 . 800 . 1 1 14 GLN HA H 0.569 5.808 2.736 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 3 . 801 . 1 1 14 GLN HB2 H -2.037 5.444 4.213 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 802 . 1 1 14 GLN HB3 H -0.468 5.266 4.985 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 803 . 1 1 14 GLN HE21 H -2.728 8.870 3.677 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 3 . 804 . 1 1 14 GLN HE22 H -3.724 8.958 5.086 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 3 . 805 . 1 1 14 GLN HG2 H -0.051 7.489 4.979 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 3 . 806 . 1 1 14 GLN HG3 H -0.930 7.762 3.476 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 3 . 807 . 1 1 14 GLN N N -1.240 5.768 1.745 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 3 . 808 . 1 1 14 GLN NE2 N -2.946 8.617 4.599 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 3 . 809 . 1 1 14 GLN O O -0.941 3.077 3.468 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 3 . 810 . 1 1 14 GLN OE1 O -2.340 7.385 6.376 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 3 . 811 . 1 1 15 CYS C C 1.226 1.307 3.342 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 3 . 812 . 1 1 15 CYS CA C 1.092 1.945 1.962 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 3 . 813 . 1 1 15 CYS CB C 2.379 1.728 1.161 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 3 . 814 . 1 1 15 CYS H H 1.358 4.010 1.582 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 3 . 815 . 1 1 15 CYS HA H 0.271 1.477 1.440 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 3 . 816 . 1 1 15 CYS HB2 H 2.562 2.598 0.548 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 3 . 817 . 1 1 15 CYS HB3 H 3.202 1.597 1.847 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 3 . 818 . 1 1 15 CYS N N 0.801 3.369 2.073 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 3 . 819 . 1 1 15 CYS O O 0.471 0.400 3.692 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 3 . 820 . 1 1 15 CYS SG S 2.333 0.276 0.062 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 3 . 821 . 1 1 16 NH2 HN1 H 3.122 1.564 3.911 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 3 . 822 . 1 1 16 NH2 N N 2.140 1.724 4.151 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 4 . 823 . 1 1 1 ACE C C 1.597 1.016 -2.179 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 4 . 824 . 1 1 1 ACE CH3 C 2.204 0.074 -1.158 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 4 . 825 . 1 1 1 ACE H1 H 3.219 -0.091 -1.521 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 4 . 826 . 1 1 1 ACE H2 H 1.391 -0.651 -1.136 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 4 . 827 . 1 1 1 ACE O O 0.388 0.993 -2.411 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 4 . 828 . 1 1 2 TRP C C 2.048 2.202 -5.189 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 4 . 829 . 1 1 2 TRP CA C 1.972 2.800 -3.789 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 4 . 830 . 1 1 2 TRP CB C 2.804 4.083 -3.723 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 4 . 831 . 1 1 2 TRP CD1 C 2.104 4.753 -1.351 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 4 . 832 . 1 1 2 TRP CD2 C 4.302 4.922 -1.745 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 4 . 833 . 1 1 2 TRP CE2 C 4.051 5.317 -0.416 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 4 . 834 . 1 1 2 TRP CE3 C 5.616 4.944 -2.217 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 4 . 835 . 1 1 2 TRP CG C 3.042 4.565 -2.325 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 4 . 836 . 1 1 2 TRP CH2 C 6.345 5.742 -0.047 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 4 . 837 . 1 1 2 TRP CZ2 C 5.067 5.729 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 4 . 838 . 1 1 2 TRP CZ3 C 6.623 5.355 -1.365 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 4 . 839 . 1 1 2 TRP H H 3.388 1.816 -2.561 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 4 . 840 . 1 1 2 TRP HA H 0.942 3.039 -3.567 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 4 . 841 . 1 1 2 TRP HB2 H 3.764 3.905 -4.183 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 842 . 1 1 2 TRP HB3 H 2.290 4.864 -4.263 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 843 . 1 1 2 TRP HD1 H 1.048 4.571 -1.482 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 4 . 844 . 1 1 2 TRP HE1 H 2.240 5.414 0.638 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 4 . 845 . 1 1 2 TRP HE3 H 5.852 4.650 -3.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 846 . 1 1 2 TRP HH2 H 7.163 6.056 0.583 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 4 . 847 . 1 1 2 TRP HZ2 H 4.869 6.030 1.460 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 4 . 848 . 1 1 2 TRP HZ3 H 7.646 5.380 -1.713 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 4 . 849 . 1 1 2 TRP N N 2.435 1.846 -2.789 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 4 . 850 . 1 1 2 TRP NE1 N 2.703 5.206 -0.200 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 4 . 851 . 1 1 2 TRP O O 2.278 1.004 -5.351 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 4 . 852 . 1 1 3 LYS C C 3.272 2.869 -8.198 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 4 . 853 . 1 1 3 LYS CA C 1.901 2.597 -7.586 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 4 . 854 . 1 1 3 LYS CB C 0.816 3.300 -8.407 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 4 . 855 . 1 1 3 LYS CD C -0.469 3.407 -10.563 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 4 . 856 . 1 1 3 LYS CE C -0.982 2.471 -11.647 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 4 . 857 . 1 1 3 LYS CG C 0.736 2.820 -9.845 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 4 . 858 . 1 1 3 LYS H H 1.673 3.987 -6.006 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 4 . 859 . 1 1 3 LYS HA H 1.719 1.534 -7.600 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 4 . 860 . 1 1 3 LYS HB2 H -0.142 3.128 -7.938 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 861 . 1 1 3 LYS HB3 H 1.018 4.361 -8.414 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 862 . 1 1 3 LYS HD2 H -1.258 3.574 -9.845 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 4 . 863 . 1 1 3 LYS HD3 H -0.185 4.347 -11.014 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 4 . 864 . 1 1 3 LYS HE2 H -1.384 3.064 -12.454 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 4 . 865 . 1 1 3 LYS HE3 H -0.156 1.879 -12.013 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 866 . 1 1 3 LYS HG2 H 1.633 3.120 -10.367 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 867 . 1 1 3 LYS HG3 H 0.658 1.742 -9.853 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 868 . 1 1 3 LYS HZ1 H -1.778 1.188 -10.203 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 4 . 869 . 1 1 3 LYS HZ2 H -2.944 2.077 -11.049 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 4 . 870 . 1 1 3 LYS HZ3 H -2.177 0.764 -11.792 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 4 . 871 . 1 1 3 LYS N N 1.853 3.042 -6.199 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 4 . 872 . 1 1 3 LYS NZ N -2.045 1.562 -11.137 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 4 . 873 . 1 1 3 LYS O O 3.949 3.828 -7.829 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 4 . 874 . 1 1 4 THR C C 4.812 2.107 -11.317 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 4 . 875 . 1 1 4 THR CA C 4.963 2.168 -9.801 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 4 . 876 . 1 1 4 THR CB C 5.956 1.078 -9.352 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 4 . 877 . 1 1 4 THR CG2 C 7.364 1.399 -9.828 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 4 . 878 . 1 1 4 THR H H 3.089 1.274 -9.389 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 4 . 879 . 1 1 4 THR HA H 5.370 3.130 -9.528 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 4 . 880 . 1 1 4 THR HB H 5.651 0.135 -9.783 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 4 . 881 . 1 1 4 THR HG1 H 6.492 0.221 -7.658 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 4 . 882 . 1 1 4 THR HG21 H 7.704 0.620 -10.493 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 4 . 883 . 1 1 4 THR HG22 H 7.361 2.344 -10.351 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 4 . 884 . 1 1 4 THR HG23 H 8.026 1.460 -8.977 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 4 . 885 . 1 1 4 THR N N 3.674 2.019 -9.138 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 4 . 886 . 1 1 4 THR O O 4.284 1.136 -11.859 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 4 . 887 . 1 1 4 THR OG1 O 5.943 0.964 -7.924 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 4 . 888 . 1 1 5 ILE C C 6.402 3.939 -14.037 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 4 . 889 . 1 1 5 ILE CA C 5.198 3.212 -13.449 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 4 . 890 . 1 1 5 ILE CB C 3.910 3.919 -13.910 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 4 . 891 . 1 1 5 ILE CD1 C 1.381 3.946 -13.626 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 4 . 892 . 1 1 5 ILE CG1 C 2.689 3.293 -13.236 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 4 . 893 . 1 1 5 ILE CG2 C 3.780 3.850 -15.425 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 4 . 894 . 1 1 5 ILE H H 5.691 3.892 -11.507 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 4 . 895 . 1 1 5 ILE HA H 5.184 2.200 -13.827 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 4 . 896 . 1 1 5 ILE HB H 3.976 4.959 -13.627 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 4 . 897 . 1 1 5 ILE HD11 H 1.582 4.848 -14.185 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 4 . 898 . 1 1 5 ILE HD12 H 0.806 3.265 -14.237 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 4 . 899 . 1 1 5 ILE HD13 H 0.821 4.191 -12.736 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 4 . 900 . 1 1 5 ILE HG12 H 2.632 2.250 -13.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 4 . 901 . 1 1 5 ILE HG13 H 2.796 3.378 -12.164 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 4 . 902 . 1 1 5 ILE HG21 H 4.637 3.338 -15.836 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 4 . 903 . 1 1 5 ILE HG22 H 2.880 3.312 -15.684 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 4 . 904 . 1 1 5 ILE HG23 H 3.730 4.850 -15.828 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 4 . 905 . 1 1 5 ILE N N 5.280 3.149 -11.995 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 4 . 906 . 1 1 5 ILE O O 6.727 5.055 -13.629 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 4 . 907 . 1 1 6 . C C 9.351 4.127 -14.644 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 4 . 908 . 1 1 6 . CA C 8.229 3.886 -15.645 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 4 . 909 . 1 1 6 . CB C 7.857 5.195 -16.343 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 4 . 910 . 1 1 6 . CD C 6.020 6.427 -17.539 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 4 . 911 . 1 1 6 . CE C 5.276 6.888 -16.295 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 4 . 912 . 1 1 6 . CG C 6.691 5.079 -17.316 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 4 . 913 . 1 1 6 . CH C 5.741 8.542 -14.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 4 . 914 . 1 1 6 . CH3 C 4.392 8.806 -13.870 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 4 . 915 . 1 1 6 . H H 6.744 2.387 -15.288 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 4 . 916 . 1 1 6 . HB2 H 7.595 5.945 -15.596 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 917 . 1 1 6 . HB3 H 8.718 5.571 -16.896 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 918 . 1 1 6 . HCA H 8.597 3.184 -16.396 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 4 . 919 . 1 1 6 . HD2 H 6.775 7.170 -17.798 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 4 . 920 . 1 1 6 . HD3 H 5.315 6.350 -18.366 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 4 . 921 . 1 1 6 . HE2 H 4.209 6.940 -16.508 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 4 . 922 . 1 1 6 . HE3 H 5.430 6.167 -15.491 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 923 . 1 1 6 . HG2 H 7.052 4.699 -18.273 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 924 . 1 1 6 . HG3 H 5.956 4.378 -16.921 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 925 . 1 1 6 . HH31 H 3.861 7.864 -13.737 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 4 . 926 . 1 1 6 . HH32 H 4.531 9.284 -12.899 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 4 . 927 . 1 1 6 . HH33 H 3.814 9.461 -14.519 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 4 . 928 . 1 1 6 . HZ H 6.700 8.364 -16.111 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 4 . 929 . 1 1 6 . N N 7.061 3.301 -14.998 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 4 . 930 . 1 1 6 . NZ N 5.738 8.225 -15.833 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 4 . 931 . 1 1 6 . O O 10.089 5.106 -14.746 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 4 . 932 . 1 1 6 . OH O 6.850 8.597 -13.863 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 4 . 933 . 1 1 7 GLY C C 10.503 4.724 -12.003 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 4 . 934 . 1 1 7 GLY CA C 10.510 3.359 -12.665 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 4 . 935 . 1 1 7 GLY H H 8.856 2.466 -13.642 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 4 . 936 . 1 1 7 GLY HA2 H 10.359 2.603 -11.909 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 4 . 937 . 1 1 7 GLY HA3 H 11.472 3.204 -13.130 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 4 . 938 . 1 1 7 GLY N N 9.474 3.226 -13.673 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 4 . 939 . 1 1 7 GLY O O 11.518 5.418 -11.989 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 4 . 940 . 1 1 8 . C C 8.244 6.313 -9.621 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 4 . 941 . 1 1 8 . CA C 9.216 6.398 -10.792 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 4 . 942 . 1 1 8 . CB C 8.753 7.466 -11.783 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 4 . 943 . 1 1 8 . CD C 10.648 8.417 -13.133 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 4 . 944 . 1 1 8 . CE C 10.182 9.198 -14.353 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 4 . 945 . 1 1 8 . CG C 9.719 8.632 -11.948 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 4 . 946 . 1 1 8 . CH C 11.204 9.104 -16.620 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 4 . 947 . 1 1 8 . CH3 C 12.692 9.218 -16.401 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 4 . 948 . 1 1 8 . H H 8.556 4.491 -11.502 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 4 . 949 . 1 1 8 . HB2 H 8.605 7.013 -12.764 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 950 . 1 1 8 . HB3 H 7.792 7.869 -11.462 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 951 . 1 1 8 . HCA H 10.190 6.690 -10.396 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 4 . 952 . 1 1 8 . HD2 H 11.655 8.739 -12.868 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 4 . 953 . 1 1 8 . HD3 H 10.679 7.356 -13.383 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 4 . 954 . 1 1 8 . HE2 H 9.107 9.360 -14.292 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 4 . 955 . 1 1 8 . HE3 H 10.673 10.172 -14.370 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 956 . 1 1 8 . HG2 H 9.154 9.553 -12.103 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 957 . 1 1 8 . HG3 H 10.316 8.740 -11.043 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 958 . 1 1 8 . HH31 H 13.216 8.982 -17.328 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 4 . 959 . 1 1 8 . HH32 H 12.938 10.235 -16.094 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 4 . 960 . 1 1 8 . HH33 H 13.000 8.519 -15.623 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 4 . 961 . 1 1 8 . HZ H 11.032 7.657 -15.420 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 4 . 962 . 1 1 8 . N N 9.354 5.108 -11.456 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 4 . 963 . 1 1 8 . NZ N 10.489 8.484 -15.622 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 4 . 964 . 1 1 8 . O O 7.328 5.490 -9.618 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 4 . 965 . 1 1 8 . OH O 10.592 9.543 -17.651 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 4 . 966 . 1 1 9 THR C C 6.768 8.474 -7.390 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 4 . 967 . 1 1 9 THR CA C 7.593 7.192 -7.447 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 4 . 968 . 1 1 9 THR CB C 8.416 7.066 -6.151 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 4 . 969 . 1 1 9 THR CG2 C 7.821 6.010 -5.233 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 4 . 970 . 1 1 9 THR H H 9.197 7.801 -8.686 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 4 . 971 . 1 1 9 THR HA H 6.923 6.347 -7.507 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 4 . 972 . 1 1 9 THR HB H 8.399 8.018 -5.639 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 4 . 973 . 1 1 9 THR HG1 H 9.845 5.776 -6.578 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 4 . 974 . 1 1 9 THR HG21 H 8.178 5.034 -5.527 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 4 . 975 . 1 1 9 THR HG22 H 8.119 6.210 -4.214 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 4 . 976 . 1 1 9 THR HG23 H 6.743 6.036 -5.304 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 4 . 977 . 1 1 9 THR N N 8.450 7.170 -8.626 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 4 . 978 . 1 1 9 THR O O 6.831 9.303 -8.298 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 4 . 979 . 1 1 9 THR OG1 O 9.772 6.726 -6.463 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 4 . 980 . 1 1 10 TRP C C 4.404 9.752 -4.823 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 4 . 981 . 1 1 10 TRP CA C 5.162 9.811 -6.145 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 4 . 982 . 1 1 10 TRP CB C 4.175 9.939 -7.307 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 4 . 983 . 1 1 10 TRP CD1 C 2.576 7.959 -7.011 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 4 . 984 . 1 1 10 TRP CD2 C 3.835 7.856 -8.861 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 4 . 985 . 1 1 10 TRP CE2 C 3.008 6.718 -8.817 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 4 . 986 . 1 1 10 TRP CE3 C 4.714 8.009 -9.935 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 4 . 987 . 1 1 10 TRP CG C 3.543 8.637 -7.696 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 4 . 988 . 1 1 10 TRP CH2 C 3.906 5.915 -10.849 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 4 . 989 . 1 1 10 TRP CZ2 C 3.036 5.740 -9.807 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 4 . 990 . 1 1 10 TRP CZ3 C 4.741 7.037 -10.917 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 4 . 991 . 1 1 10 TRP H H 5.991 7.932 -5.631 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 4 . 992 . 1 1 10 TRP HA H 5.810 10.675 -6.137 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 4 . 993 . 1 1 10 TRP HB2 H 3.388 10.622 -7.028 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 994 . 1 1 10 TRP HB3 H 4.696 10.329 -8.170 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 995 . 1 1 10 TRP HD1 H 2.143 8.293 -6.081 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 4 . 996 . 1 1 10 TRP HE1 H 1.581 6.148 -7.388 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 4 . 997 . 1 1 10 TRP HE3 H 5.366 8.868 -10.006 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 998 . 1 1 10 TRP HH2 H 3.961 5.181 -11.638 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 4 . 999 . 1 1 10 TRP HZ2 H 2.398 4.869 -9.769 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 4 . 1000 . 1 1 10 TRP HZ3 H 5.415 7.138 -11.756 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 4 . 1001 . 1 1 10 TRP N N 5.999 8.628 -6.320 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 4 . 1002 . 1 1 10 TRP NE1 N 2.250 6.803 -7.679 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 4 . 1003 . 1 1 10 TRP O O 4.171 10.777 -4.185 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 4 . 1004 . 1 1 11 ARG C C 1.927 9.032 -3.233 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 4 . 1005 . 1 1 11 ARG CA C 3.291 8.352 -3.172 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 4 . 1006 . 1 1 11 ARG CB C 4.095 8.903 -1.994 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 4 . 1007 . 1 1 11 ARG CD C 2.777 9.592 0.031 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 4 . 1008 . 1 1 11 ARG CG C 3.560 8.474 -0.638 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 4 . 1009 . 1 1 11 ARG CZ C 3.134 11.325 1.739 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 4 . 1010 . 1 1 11 ARG H H 4.239 7.764 -4.971 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 4 . 1011 . 1 1 11 ARG HA H 3.145 7.292 -3.033 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 4 . 1012 . 1 1 11 ARG HB2 H 5.116 8.560 -2.077 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 1013 . 1 1 11 ARG HB3 H 4.083 9.981 -2.037 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 1014 . 1 1 11 ARG HD2 H 2.379 10.243 -0.734 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 4 . 1015 . 1 1 11 ARG HD3 H 1.963 9.158 0.592 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 4 . 1016 . 1 1 11 ARG HE H 4.572 10.195 0.943 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 4 . 1017 . 1 1 11 ARG HG2 H 2.908 7.623 -0.771 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 1018 . 1 1 11 ARG HG3 H 4.389 8.198 -0.004 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 1019 . 1 1 11 ARG HH11 H 1.214 11.091 1.154 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 4 . 1020 . 1 1 11 ARG HH12 H 1.480 12.308 2.358 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 4 . 1021 . 1 1 11 ARG HH21 H 4.935 11.795 2.528 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 4 . 1022 . 1 1 11 ARG HH22 H 3.597 12.709 3.138 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 4 . 1023 . 1 1 11 ARG N N 4.023 8.544 -4.419 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 4 . 1024 . 1 1 11 ARG NE N 3.610 10.380 0.936 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 4 . 1025 . 1 1 11 ARG NH1 N 1.837 11.597 1.750 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 4 . 1026 . 1 1 11 ARG NH2 N 3.956 11.998 2.533 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 4 . 1027 . 1 1 11 ARG O O 1.830 10.260 -3.188 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 4 . 1028 . 1 1 12 THR C C -1.263 8.431 -2.135 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 4 . 1029 . 1 1 12 THR CA C -0.484 8.752 -3.406 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 4 . 1030 . 1 1 12 THR CB C -1.246 8.182 -4.618 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 4 . 1031 . 1 1 12 THR CG2 C -1.086 6.672 -4.696 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 4 . 1032 . 1 1 12 THR H H 1.016 7.259 -3.369 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 4 . 1033 . 1 1 12 THR HA H -0.423 9.825 -3.518 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 4 . 1034 . 1 1 12 THR HB H -0.837 8.620 -5.518 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 4 . 1035 . 1 1 12 THR HG1 H -2.768 9.419 -4.825 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 4 . 1036 . 1 1 12 THR HG21 H -1.493 6.219 -3.804 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 4 . 1037 . 1 1 12 THR HG22 H -1.613 6.297 -5.562 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 4 . 1038 . 1 1 12 THR HG23 H -0.037 6.424 -4.779 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 4 . 1039 . 1 1 12 THR N N 0.874 8.228 -3.337 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 4 . 1040 . 1 1 12 THR O O -2.027 9.258 -1.638 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 4 . 1041 . 1 1 12 THR OG1 O -2.635 8.515 -4.525 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 4 . 1042 . 1 1 13 . C C -0.747 6.382 0.675 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 4 . 1043 . 1 1 13 . CA C -1.744 6.793 -0.400 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 4 . 1044 . 1 1 13 . CB C -2.698 5.634 -0.704 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 4 . 1045 . 1 1 13 . CD C -2.224 3.236 -0.119 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 4 . 1046 . 1 1 13 . CE C -3.648 2.707 -0.174 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 4 . 1047 . 1 1 13 . CG C -2.006 4.348 -1.136 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 4 . 1048 . 1 1 13 . CH C -4.122 0.264 -0.105 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 4 . 1049 . 1 1 13 . CH3 C -3.495 -1.006 0.416 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 4 . 1050 . 1 1 13 . H H -0.422 6.591 -2.070 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 4 . 1051 . 1 1 13 . HB2 H -3.294 5.413 0.181 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 1052 . 1 1 13 . HB3 H -3.385 5.928 -1.497 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 1053 . 1 1 13 . HCA H -2.327 7.630 -0.013 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 4 . 1054 . 1 1 13 . HD2 H -1.532 2.419 -0.322 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 4 . 1055 . 1 1 13 . HD3 H -2.026 3.616 0.883 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 4 . 1056 . 1 1 13 . HE2 H -4.326 3.439 0.261 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 4 . 1057 . 1 1 13 . HE3 H -3.938 2.549 -1.214 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 4 . 1058 . 1 1 13 . HG2 H -2.402 4.029 -2.101 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 1059 . 1 1 13 . HG3 H -0.937 4.528 -1.241 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 1060 . 1 1 13 . HH31 H -2.760 -0.763 1.182 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 4 . 1061 . 1 1 13 . HH32 H -4.270 -1.643 0.845 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 4 . 1062 . 1 1 13 . HH33 H -3.006 -1.533 -0.403 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 4 . 1063 . 1 1 13 . HZ H -2.920 1.192 1.016 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 4 . 1064 . 1 1 13 . N N -1.063 7.225 -1.613 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 4 . 1065 . 1 1 13 . NZ N -3.793 1.421 0.562 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 4 . 1066 . 1 1 13 . O O 0.456 6.603 0.536 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 4 . 1067 . 1 1 13 . OH O -4.917 0.318 -1.103 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 4 . 1068 . 1 1 14 GLN C C -0.214 3.828 2.815 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 4 . 1069 . 1 1 14 GLN CA C -0.407 5.341 2.848 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 4 . 1070 . 1 1 14 GLN CB C -1.015 5.759 4.188 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 4 . 1071 . 1 1 14 GLN CD C -0.689 7.736 5.727 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 4 . 1072 . 1 1 14 GLN CG C -1.137 7.265 4.357 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 4 . 1073 . 1 1 14 GLN H H -2.222 5.634 1.800 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 4 . 1074 . 1 1 14 GLN HA H 0.555 5.816 2.737 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 4 . 1075 . 1 1 14 GLN HB2 H -2.001 5.328 4.273 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 1076 . 1 1 14 GLN HB3 H -0.394 5.378 4.986 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 1077 . 1 1 14 GLN HE21 H -0.191 9.510 4.979 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 4 . 1078 . 1 1 14 GLN HE22 H 0.075 9.307 6.674 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 4 . 1079 . 1 1 14 GLN HG2 H -0.526 7.749 3.610 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 4 . 1080 . 1 1 14 GLN HG3 H -2.170 7.547 4.214 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 4 . 1081 . 1 1 14 GLN N N -1.255 5.782 1.748 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 4 . 1082 . 1 1 14 GLN NE2 N -0.220 8.977 5.802 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 4 . 1083 . 1 1 14 GLN O O -0.948 3.083 3.465 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 4 . 1084 . 1 1 14 GLN OE1 O -0.764 6.995 6.707 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 4 . 1085 . 1 1 15 CYS C C 1.215 1.313 3.307 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 4 . 1086 . 1 1 15 CYS CA C 1.066 1.955 1.931 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 4 . 1087 . 1 1 15 CYS CB C 2.342 1.740 1.114 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 4 . 1088 . 1 1 15 CYS H H 1.327 4.023 1.555 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 4 . 1089 . 1 1 15 CYS HA H 0.238 1.491 1.417 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 4 . 1090 . 1 1 15 CYS HB2 H 2.464 2.567 0.428 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 4 . 1091 . 1 1 15 CYS HB3 H 3.188 1.706 1.784 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 4 . 1092 . 1 1 15 CYS N N 0.776 3.380 2.051 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 4 . 1093 . 1 1 15 CYS O O 0.917 0.131 3.486 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 4 . 1094 . 1 1 15 CYS SG S 2.346 0.205 0.133 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 4 . 1095 . 1 1 16 NH2 HN1 H 2.669 2.053 4.458 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 4 . 1096 . 1 1 16 NH2 N N 1.660 2.015 4.293 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 5 . 1097 . 1 1 1 ACE C C 1.535 0.993 -2.204 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 5 . 1098 . 1 1 1 ACE CH3 C 2.124 0.059 -1.165 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 5 . 1099 . 1 1 1 ACE H1 H 3.110 -0.194 -1.553 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 5 . 1100 . 1 1 1 ACE H2 H 1.284 -0.632 -1.081 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 5 . 1101 . 1 1 1 ACE O O 0.336 0.950 -2.478 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 5 . 1102 . 1 1 2 TRP C C 2.017 2.176 -5.189 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 5 . 1103 . 1 1 2 TRP CA C 1.936 2.789 -3.795 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 5 . 1104 . 1 1 2 TRP CB C 2.781 4.063 -3.735 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 5 . 1105 . 1 1 2 TRP CD1 C 2.066 4.767 -1.377 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 5 . 1106 . 1 1 2 TRP CD2 C 4.271 4.903 -1.750 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1107 . 1 1 2 TRP CE2 C 4.013 5.315 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1108 . 1 1 2 TRP CE3 C 5.591 4.904 -2.210 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1109 . 1 1 2 TRP CG C 3.012 4.556 -2.339 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 5 . 1110 . 1 1 2 TRP CH2 C 6.309 5.714 -0.041 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 5 . 1111 . 1 1 2 TRP CZ2 C 5.025 5.723 0.436 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 5 . 1112 . 1 1 2 TRP CZ3 C 6.595 5.310 -1.352 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 5 . 1113 . 1 1 2 TRP H H 3.325 1.826 -2.520 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 5 . 1114 . 1 1 2 TRP HA H 0.907 3.041 -3.585 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 5 . 1115 . 1 1 2 TRP HB2 H 3.744 3.871 -4.184 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1116 . 1 1 2 TRP HB3 H 2.280 4.845 -4.287 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1117 . 1 1 2 TRP HD1 H 1.010 4.597 -1.515 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 5 . 1118 . 1 1 2 TRP HE1 H 2.192 5.446 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 5 . 1119 . 1 1 2 TRP HE3 H 5.831 4.595 -3.217 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1120 . 1 1 2 TRP HH2 H 7.124 6.023 0.594 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 5 . 1121 . 1 1 2 TRP HZ2 H 4.822 6.037 1.449 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 5 . 1122 . 1 1 2 TRP HZ3 H 7.620 5.318 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 5 . 1123 . 1 1 2 TRP N N 2.380 1.840 -2.782 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 5 . 1124 . 1 1 2 TRP NE1 N 2.661 5.224 -0.224 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 5 . 1125 . 1 1 2 TRP O O 2.237 0.974 -5.337 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 5 . 1126 . 1 1 3 LYS C C 3.264 2.827 -8.203 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 5 . 1127 . 1 1 3 LYS CA C 1.894 2.550 -7.591 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 5 . 1128 . 1 1 3 LYS CB C 0.806 3.234 -8.421 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 5 . 1129 . 1 1 3 LYS CD C -0.539 3.195 -10.543 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 5 . 1130 . 1 1 3 LYS CE C -1.040 2.147 -11.524 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 5 . 1131 . 1 1 3 LYS CG C 0.744 2.750 -9.859 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 5 . 1132 . 1 1 3 LYS H H 1.668 3.958 -6.026 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 5 . 1133 . 1 1 3 LYS HA H 1.721 1.485 -7.594 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 5 . 1134 . 1 1 3 LYS HB2 H -0.152 3.047 -7.958 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1135 . 1 1 3 LYS HB3 H 0.991 4.299 -8.428 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1136 . 1 1 3 LYS HD2 H -1.297 3.361 -9.792 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1137 . 1 1 3 LYS HD3 H -0.351 4.115 -11.077 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 5 . 1138 . 1 1 3 LYS HE2 H -0.224 1.856 -12.168 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1139 . 1 1 3 LYS HE3 H -1.384 1.288 -10.968 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1140 . 1 1 3 LYS HG2 H 1.585 3.153 -10.402 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1141 . 1 1 3 LYS HG3 H 0.790 1.671 -9.869 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1142 . 1 1 3 LYS HZ1 H -2.787 3.262 -11.790 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 5 . 1143 . 1 1 3 LYS HZ2 H -1.783 3.225 -13.152 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 5 . 1144 . 1 1 3 LYS HZ3 H -2.711 1.869 -12.747 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 5 . 1145 . 1 1 3 LYS N N 1.840 3.010 -6.208 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 5 . 1146 . 1 1 3 LYS NZ N -2.159 2.662 -12.362 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 5 . 1147 . 1 1 3 LYS O O 3.940 3.788 -7.830 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 5 . 1148 . 1 1 4 THR C C 4.805 2.089 -11.324 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 5 . 1149 . 1 1 4 THR CA C 4.958 2.136 -9.808 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 5 . 1150 . 1 1 4 THR CB C 5.950 1.042 -9.370 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 5 . 1151 . 1 1 4 THR CG2 C 7.347 1.337 -9.895 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1152 . 1 1 4 THR H H 3.086 1.236 -9.399 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 5 . 1153 . 1 1 4 THR HA H 5.364 3.096 -9.527 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 5 . 1154 . 1 1 4 THR HB H 5.622 0.096 -9.776 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 5 . 1155 . 1 1 4 THR HG1 H 5.771 1.810 -7.562 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1156 . 1 1 4 THR HG21 H 7.275 1.811 -10.863 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 5 . 1157 . 1 1 4 THR HG22 H 7.857 1.997 -9.209 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 5 . 1158 . 1 1 4 THR HG23 H 7.900 0.414 -9.985 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 5 . 1159 . 1 1 4 THR N N 3.669 1.981 -9.145 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 5 . 1160 . 1 1 4 THR O O 4.268 1.126 -11.874 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 5 . 1161 . 1 1 4 THR OG1 O 5.980 0.953 -7.941 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1162 . 1 1 5 ILE C C 6.402 3.938 -14.030 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 5 . 1163 . 1 1 5 ILE CA C 5.195 3.209 -13.448 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 5 . 1164 . 1 1 5 ILE CB C 3.909 3.925 -13.902 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 5 . 1165 . 1 1 5 ILE CD1 C 1.380 3.956 -13.616 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 5 . 1166 . 1 1 5 ILE CG1 C 2.685 3.289 -13.240 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1167 . 1 1 5 ILE CG2 C 3.783 3.878 -15.417 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1168 . 1 1 5 ILE H H 5.695 3.870 -11.501 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 5 . 1169 . 1 1 5 ILE HA H 5.177 2.200 -13.834 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 5 . 1170 . 1 1 5 ILE HB H 3.976 4.960 -13.602 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 5 . 1171 . 1 1 5 ILE HD11 H 0.940 3.437 -14.454 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 5 . 1172 . 1 1 5 ILE HD12 H 0.703 3.922 -12.776 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 5 . 1173 . 1 1 5 ILE HD13 H 1.567 4.985 -13.886 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 5 . 1174 . 1 1 5 ILE HG12 H 2.623 2.253 -13.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 5 . 1175 . 1 1 5 ILE HG13 H 2.793 3.352 -12.167 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 5 . 1176 . 1 1 5 ILE HG21 H 4.635 3.359 -15.834 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 5 . 1177 . 1 1 5 ILE HG22 H 2.877 3.355 -15.687 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 5 . 1178 . 1 1 5 ILE HG23 H 3.749 4.884 -15.807 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 5 . 1179 . 1 1 5 ILE N N 5.278 3.133 -11.995 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 5 . 1180 . 1 1 5 ILE O O 6.706 5.066 -13.642 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 5 . 1181 . 1 1 6 . C C 9.368 4.121 -14.594 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 5 . 1182 . 1 1 6 . CA C 8.257 3.871 -15.606 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 5 . 1183 . 1 1 6 . CB C 7.887 5.174 -16.315 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 5 . 1184 . 1 1 6 . CD C 6.081 6.394 -17.568 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 5 . 1185 . 1 1 6 . CE C 5.319 6.885 -16.346 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 5 . 1186 . 1 1 6 . CG C 6.738 5.046 -17.306 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 5 . 1187 . 1 1 6 . CH C 5.225 8.890 -14.873 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 5 . 1188 . 1 1 6 . CH3 C 3.928 9.479 -15.372 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 5 . 1189 . 1 1 6 . H H 6.783 2.362 -15.241 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 5 . 1190 . 1 1 6 . HB2 H 7.610 5.926 -15.575 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1191 . 1 1 6 . HB3 H 8.756 5.554 -16.855 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1192 . 1 1 6 . HCA H 8.635 3.165 -16.348 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 5 . 1193 . 1 1 6 . HD2 H 6.845 7.126 -17.828 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1194 . 1 1 6 . HD3 H 5.389 6.305 -18.404 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 5 . 1195 . 1 1 6 . HE2 H 4.288 7.098 -16.620 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1196 . 1 1 6 . HE3 H 5.316 6.106 -15.582 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1197 . 1 1 6 . HG2 H 7.113 4.646 -18.249 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1198 . 1 1 6 . HG3 H 5.991 4.359 -16.910 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1199 . 1 1 6 . HH31 H 3.851 9.329 -16.450 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 5 . 1200 . 1 1 6 . HH32 H 3.091 8.987 -14.875 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 5 . 1201 . 1 1 6 . HH33 H 3.907 10.546 -15.153 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 5 . 1202 . 1 1 6 . HZ H 6.767 7.874 -15.265 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 5 . 1203 . 1 1 6 . N N 7.085 3.287 -14.966 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 5 . 1204 . 1 1 6 . NZ N 5.925 8.116 -15.770 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 5 . 1205 . 1 1 6 . O O 10.106 5.100 -14.697 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 5 . 1206 . 1 1 6 . OH O 5.690 9.067 -13.697 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 5 . 1207 . 1 1 7 GLY C C 10.493 4.741 -11.948 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 5 . 1208 . 1 1 7 GLY CA C 10.508 3.371 -12.598 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 5 . 1209 . 1 1 7 GLY H H 8.866 2.468 -13.584 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 5 . 1210 . 1 1 7 GLY HA2 H 10.350 2.622 -11.836 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 5 . 1211 . 1 1 7 GLY HA3 H 11.474 3.212 -13.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 5 . 1212 . 1 1 7 GLY N N 9.483 3.229 -13.615 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 5 . 1213 . 1 1 7 GLY O O 11.520 5.418 -11.889 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 5 . 1214 . 1 1 8 . C C 8.189 6.381 -9.661 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 5 . 1215 . 1 1 8 . CA C 9.181 6.450 -10.815 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 5 . 1216 . 1 1 8 . CB C 8.736 7.507 -11.828 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 5 . 1217 . 1 1 8 . CD C 10.508 8.584 -13.251 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 5 . 1218 . 1 1 8 . CE C 9.785 9.241 -14.417 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 5 . 1219 . 1 1 8 . CG C 9.693 8.683 -11.969 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 5 . 1220 . 1 1 8 . CH C 10.118 11.058 -16.086 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 5 . 1221 . 1 1 8 . CH3 C 9.769 12.465 -15.671 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 5 . 1222 . 1 1 8 . H H 8.521 4.548 -11.541 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 5 . 1223 . 1 1 8 . HB2 H 8.626 7.046 -12.809 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1224 . 1 1 8 . HB3 H 7.762 7.900 -11.539 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1225 . 1 1 8 . HCA H 10.149 6.745 -10.406 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 5 . 1226 . 1 1 8 . HD2 H 11.471 9.073 -13.107 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1227 . 1 1 8 . HD3 H 10.684 7.535 -13.489 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 5 . 1228 . 1 1 8 . HE2 H 9.490 8.480 -15.137 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1229 . 1 1 8 . HE3 H 8.884 9.736 -14.055 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1230 . 1 1 8 . HG2 H 9.125 9.615 -11.981 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1231 . 1 1 8 . HG3 H 10.373 8.703 -11.117 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1232 . 1 1 8 . HH31 H 10.051 13.159 -16.461 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 5 . 1233 . 1 1 8 . HH32 H 8.694 12.535 -15.493 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 5 . 1234 . 1 1 8 . HH33 H 10.304 12.719 -14.757 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 5 . 1235 . 1 1 8 . HZ H 11.004 10.900 -14.426 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 5 . 1236 . 1 1 8 . N N 9.327 5.152 -11.461 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 5 . 1237 . 1 1 8 . NZ N 10.640 10.247 -15.105 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 5 . 1238 . 1 1 8 . O O 7.192 5.661 -9.725 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 5 . 1239 . 1 1 8 . OH O 9.958 10.595 -17.265 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 5 . 1240 . 1 1 9 THR C C 6.785 8.448 -7.379 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 5 . 1241 . 1 1 9 THR CA C 7.602 7.161 -7.432 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 5 . 1242 . 1 1 9 THR CB C 8.413 7.028 -6.129 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 5 . 1243 . 1 1 9 THR CG2 C 7.820 5.954 -5.229 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1244 . 1 1 9 THR H H 9.278 7.689 -8.611 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 5 . 1245 . 1 1 9 THR HA H 6.926 6.320 -7.498 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 5 . 1246 . 1 1 9 THR HB H 8.382 7.973 -5.605 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 5 . 1247 . 1 1 9 THR HG1 H 10.353 7.137 -5.796 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1248 . 1 1 9 THR HG21 H 8.339 5.020 -5.394 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 5 . 1249 . 1 1 9 THR HG22 H 7.928 6.249 -4.197 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 5 . 1250 . 1 1 9 THR HG23 H 6.772 5.828 -5.460 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 5 . 1251 . 1 1 9 THR N N 8.468 7.137 -8.602 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 5 . 1252 . 1 1 9 THR O O 6.852 9.273 -8.290 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 5 . 1253 . 1 1 9 THR OG1 O 9.775 6.706 -6.431 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1254 . 1 1 10 TRP C C 4.429 9.749 -4.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 5 . 1255 . 1 1 10 TRP CA C 5.187 9.799 -6.138 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 5 . 1256 . 1 1 10 TRP CB C 4.201 9.929 -7.300 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 5 . 1257 . 1 1 10 TRP CD1 C 2.589 7.960 -6.996 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 5 . 1258 . 1 1 10 TRP CD2 C 3.847 7.843 -8.846 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1259 . 1 1 10 TRP CE2 C 3.012 6.710 -8.797 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1260 . 1 1 10 TRP CE3 C 4.726 7.986 -9.922 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1261 . 1 1 10 TRP CG C 3.560 8.630 -7.684 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 5 . 1262 . 1 1 10 TRP CH2 C 3.902 5.894 -10.827 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 5 . 1263 . 1 1 10 TRP CZ2 C 3.032 5.728 -9.784 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 5 . 1264 . 1 1 10 TRP CZ3 C 4.745 7.010 -10.900 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 5 . 1265 . 1 1 10 TRP H H 6.006 7.917 -5.616 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 5 . 1266 . 1 1 10 TRP HA H 5.839 10.660 -6.133 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 5 . 1267 . 1 1 10 TRP HB2 H 3.417 10.619 -7.024 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1268 . 1 1 10 TRP HB3 H 4.725 10.312 -8.164 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1269 . 1 1 10 TRP HD1 H 2.158 8.301 -6.067 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 5 . 1270 . 1 1 10 TRP HE1 H 1.582 6.155 -7.366 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 5 . 1271 . 1 1 10 TRP HE3 H 5.383 8.840 -9.997 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1272 . 1 1 10 TRP HH2 H 3.952 5.156 -11.612 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 5 . 1273 . 1 1 10 TRP HZ2 H 2.388 4.862 -9.742 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 5 . 1274 . 1 1 10 TRP HZ3 H 5.419 7.104 -11.739 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 5 . 1275 . 1 1 10 TRP N N 6.017 8.612 -6.308 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 5 . 1276 . 1 1 10 TRP NE1 N 2.255 6.805 -7.660 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 5 . 1277 . 1 1 10 TRP O O 4.201 10.778 -4.181 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 5 . 1278 . 1 1 11 ARG C C 1.948 9.049 -3.223 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 5 . 1279 . 1 1 11 ARG CA C 3.309 8.361 -3.159 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 5 . 1280 . 1 1 11 ARG CB C 4.116 8.911 -1.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 5 . 1281 . 1 1 11 ARG CD C 2.805 9.621 0.041 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 5 . 1282 . 1 1 11 ARG CG C 3.576 8.492 -0.625 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 5 . 1283 . 1 1 11 ARG CZ C 3.888 9.815 2.239 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 5 . 1284 . 1 1 11 ARG H H 4.253 7.761 -4.956 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 5 . 1285 . 1 1 11 ARG HA H 3.157 7.302 -3.017 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 5 . 1286 . 1 1 11 ARG HB2 H 5.135 8.561 -2.064 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1287 . 1 1 11 ARG HB3 H 4.110 9.990 -2.030 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1288 . 1 1 11 ARG HD2 H 2.501 10.327 -0.717 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1289 . 1 1 11 ARG HD3 H 1.930 9.207 0.520 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 5 . 1290 . 1 1 11 ARG HE H 3.957 11.203 0.809 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 5 . 1291 . 1 1 11 ARG HG2 H 2.916 7.647 -0.755 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1292 . 1 1 11 ARG HG3 H 4.404 8.210 0.009 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1293 . 1 1 11 ARG HH11 H 2.875 8.092 1.939 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 5 . 1294 . 1 1 11 ARG HH12 H 3.643 8.242 3.485 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 5 . 1295 . 1 1 11 ARG HH21 H 4.972 11.411 2.840 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 5 . 1296 . 1 1 11 ARG HH22 H 4.835 10.130 3.997 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 5 . 1297 . 1 1 11 ARG N N 4.042 8.545 -4.406 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 5 . 1298 . 1 1 11 ARG NE N 3.608 10.317 1.042 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 5 . 1299 . 1 1 11 ARG NH1 N 3.430 8.618 2.584 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 5 . 1300 . 1 1 11 ARG NH2 N 4.626 10.509 3.096 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 5 . 1301 . 1 1 11 ARG O O 1.857 10.276 -3.177 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 5 . 1302 . 1 1 12 THR C C -1.254 8.443 -2.140 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 5 . 1303 . 1 1 12 THR CA C -0.464 8.781 -3.401 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 5 . 1304 . 1 1 12 THR CB C -1.219 8.232 -4.627 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 5 . 1305 . 1 1 12 THR CG2 C -1.068 6.722 -4.724 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1306 . 1 1 12 THR H H 1.028 7.279 -3.361 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 5 . 1307 . 1 1 12 THR HA H -0.398 9.854 -3.496 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 5 . 1308 . 1 1 12 THR HB H -0.800 8.679 -5.517 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 5 . 1309 . 1 1 12 THR HG1 H -2.816 9.231 -5.210 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1310 . 1 1 12 THR HG21 H -0.020 6.468 -4.790 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 5 . 1311 . 1 1 12 THR HG22 H -1.497 6.260 -3.847 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 5 . 1312 . 1 1 12 THR HG23 H -1.580 6.365 -5.605 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 5 . 1313 . 1 1 12 THR N N 0.891 8.250 -3.329 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 5 . 1314 . 1 1 12 THR O O -2.014 9.268 -1.634 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 5 . 1315 . 1 1 12 THR OG1 O -2.607 8.573 -4.541 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 5 . 1316 . 1 1 13 . C C -0.773 6.387 0.654 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 5 . 1317 . 1 1 13 . CA C -1.760 6.781 -0.437 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 5 . 1318 . 1 1 13 . CB C -2.686 5.605 -0.758 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 5 . 1319 . 1 1 13 . CD C -5.015 4.661 -0.802 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 5 . 1320 . 1 1 13 . CE C -5.696 4.979 -2.125 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 5 . 1321 . 1 1 13 . CG C -4.135 5.814 -0.340 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 5 . 1322 . 1 1 13 . CH C -7.697 3.500 -2.023 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 5 . 1323 . 1 1 13 . CH3 C -8.692 4.622 -1.853 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 5 . 1324 . 1 1 13 . H H -0.429 6.597 -2.101 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 5 . 1325 . 1 1 13 . HB2 H -2.671 5.412 -1.831 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1326 . 1 1 13 . HB3 H -2.319 4.707 -0.259 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1327 . 1 1 13 . HCA H -2.366 7.606 -0.058 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 5 . 1328 . 1 1 13 . HD2 H -4.406 3.764 -0.921 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 5 . 1329 . 1 1 13 . HD3 H -5.779 4.463 -0.050 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 5 . 1330 . 1 1 13 . HE2 H -6.349 5.841 -2.000 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1331 . 1 1 13 . HE3 H -4.941 5.227 -2.872 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 5 . 1332 . 1 1 13 . HG2 H -4.194 5.892 0.747 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1333 . 1 1 13 . HG3 H -4.509 6.740 -0.774 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1334 . 1 1 13 . HH31 H -8.255 5.409 -1.239 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 5 . 1335 . 1 1 13 . HH32 H -8.951 5.029 -2.832 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 5 . 1336 . 1 1 13 . HH33 H -9.590 4.241 -1.370 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 5 . 1337 . 1 1 13 . HZ H -6.761 3.995 -3.586 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 5 . 1338 . 1 1 13 . N N -1.068 7.227 -1.639 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 5 . 1339 . 1 1 13 . NZ N -6.505 3.832 -2.624 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 5 . 1340 . 1 1 13 . O O 0.427 6.631 0.535 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 5 . 1341 . 1 1 13 . OH O -7.897 2.297 -1.648 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 5 . 1342 . 1 1 14 GLN C C -0.235 3.840 2.804 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 5 . 1343 . 1 1 14 GLN CA C -0.450 5.349 2.831 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 5 . 1344 . 1 1 14 GLN CB C -1.084 5.762 4.161 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 5 . 1345 . 1 1 14 GLN CD C 0.285 7.252 5.675 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 5 . 1346 . 1 1 14 GLN CG C -0.756 7.188 4.575 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 5 . 1347 . 1 1 14 GLN H H -2.251 5.609 1.753 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 5 . 1348 . 1 1 14 GLN HA H 0.507 5.839 2.732 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 5 . 1349 . 1 1 14 GLN HB2 H -2.156 5.671 4.078 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1350 . 1 1 14 GLN HB3 H -0.732 5.096 4.936 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1351 . 1 1 14 GLN HE21 H 1.743 7.028 4.341 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 5 . 1352 . 1 1 14 GLN HE22 H 2.247 7.181 5.987 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 5 . 1353 . 1 1 14 GLN HG2 H -0.381 7.721 3.714 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 5 . 1354 . 1 1 14 GLN HG3 H -1.660 7.663 4.926 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 5 . 1355 . 1 1 14 GLN N N -1.287 5.777 1.718 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 5 . 1356 . 1 1 14 GLN NE2 N 1.554 7.142 5.297 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 5 . 1357 . 1 1 14 GLN O O -0.946 3.088 3.473 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 5 . 1358 . 1 1 14 GLN OE1 O -0.046 7.398 6.852 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 5 . 1359 . 1 1 15 CYS C C 1.240 1.350 3.287 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 5 . 1360 . 1 1 15 CYS CA C 1.059 1.981 1.910 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 5 . 1361 . 1 1 15 CYS CB C 2.323 1.779 1.073 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 5 . 1362 . 1 1 15 CYS H H 1.282 4.049 1.518 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 5 . 1363 . 1 1 15 CYS HA H 0.229 1.500 1.415 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 5 . 1364 . 1 1 15 CYS HB2 H 2.440 2.620 0.404 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 5 . 1365 . 1 1 15 CYS HB3 H 3.177 1.728 1.732 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 5 . 1366 . 1 1 15 CYS N N 0.749 3.401 2.027 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 5 . 1367 . 1 1 15 CYS O O 1.410 0.137 3.407 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 5 . 1368 . 1 1 15 CYS SG S 2.311 0.265 0.061 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 5 . 1369 . 1 1 16 NH2 HN1 H 0.859 1.706 5.215 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 5 . 1370 . 1 1 16 NH2 N N 1.216 2.097 4.339 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 6 . 1371 . 1 1 1 ACE C C 1.475 0.959 -2.263 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 6 . 1372 . 1 1 1 ACE CH3 C 2.052 0.008 -1.233 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 6 . 1373 . 1 1 1 ACE H1 H 3.039 -0.247 -1.619 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 6 . 1374 . 1 1 1 ACE H2 H 1.209 -0.679 -1.163 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 6 . 1375 . 1 1 1 ACE O O 0.276 0.930 -2.539 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 6 . 1376 . 1 1 2 TRP C C 1.978 2.172 -5.234 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 6 . 1377 . 1 1 2 TRP CA C 1.895 2.769 -3.833 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 6 . 1378 . 1 1 2 TRP CB C 2.750 4.035 -3.754 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 6 . 1379 . 1 1 2 TRP CD1 C 2.028 4.717 -1.392 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 6 . 1380 . 1 1 2 TRP CD2 C 4.235 4.843 -1.753 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1381 . 1 1 2 TRP CE2 C 3.973 5.242 -0.427 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1382 . 1 1 2 TRP CE3 C 5.556 4.841 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1383 . 1 1 2 TRP CG C 2.978 4.512 -2.352 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 6 . 1384 . 1 1 2 TRP CH2 C 6.270 5.623 -0.025 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 6 . 1385 . 1 1 2 TRP CZ2 C 4.984 5.635 0.446 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 6 . 1386 . 1 1 2 TRP CZ3 C 6.559 5.231 -1.339 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 6 . 1387 . 1 1 2 TRP H H 3.273 1.777 -2.567 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 6 . 1388 . 1 1 2 TRP HA H 0.868 3.025 -3.624 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 6 . 1389 . 1 1 2 TRP HB2 H 3.714 3.840 -4.201 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1390 . 1 1 2 TRP HB3 H 2.258 4.826 -4.300 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1391 . 1 1 2 TRP HD1 H 0.971 4.557 -1.538 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 6 . 1392 . 1 1 2 TRP HE1 H 2.148 5.374 0.601 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 6 . 1393 . 1 1 2 TRP HE3 H 5.801 4.541 -3.216 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1394 . 1 1 2 TRP HH2 H 7.083 5.919 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 6 . 1395 . 1 1 2 TRP HZ2 H 4.777 5.939 1.461 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 6 . 1396 . 1 1 2 TRP HZ3 H 7.587 5.235 -1.671 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 6 . 1397 . 1 1 2 TRP N N 2.329 1.803 -2.829 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 6 . 1398 . 1 1 2 TRP NE1 N 2.620 5.158 -0.232 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 6 . 1399 . 1 1 2 TRP O O 2.189 0.969 -5.395 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 6 . 1400 . 1 1 3 LYS C C 3.241 2.847 -8.234 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 6 . 1401 . 1 1 3 LYS CA C 1.866 2.575 -7.632 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 6 . 1402 . 1 1 3 LYS CB C 0.788 3.279 -8.458 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 6 . 1403 . 1 1 3 LYS CD C -0.521 3.324 -10.601 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 6 . 1404 . 1 1 3 LYS CE C -0.912 2.430 -11.768 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 6 . 1405 . 1 1 3 LYS CG C 0.728 2.815 -9.903 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 6 . 1406 . 1 1 3 LYS H H 1.645 3.966 -6.051 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 6 . 1407 . 1 1 3 LYS HA H 1.683 1.511 -7.648 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 6 . 1408 . 1 1 3 LYS HB2 H -0.175 3.095 -8.003 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1409 . 1 1 3 LYS HB3 H 0.982 4.342 -8.451 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1410 . 1 1 3 LYS HD2 H -1.336 3.348 -9.893 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1411 . 1 1 3 LYS HD3 H -0.335 4.323 -10.971 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 6 . 1412 . 1 1 3 LYS HE2 H -1.677 2.926 -12.344 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1413 . 1 1 3 LYS HE3 H -0.042 2.269 -12.388 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1414 . 1 1 3 LYS HG2 H 1.596 3.186 -10.427 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1415 . 1 1 3 LYS HG3 H 0.726 1.734 -9.924 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1416 . 1 1 3 LYS HZ1 H -0.791 0.708 -10.593 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 6 . 1417 . 1 1 3 LYS HZ2 H -2.374 1.225 -10.888 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 6 . 1418 . 1 1 3 LYS HZ3 H -1.494 0.454 -12.110 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 6 . 1419 . 1 1 3 LYS N N 1.810 3.019 -6.243 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 6 . 1420 . 1 1 3 LYS NZ N -1.428 1.112 -11.307 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 6 . 1421 . 1 1 3 LYS O O 3.922 3.798 -7.850 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 6 . 1422 . 1 1 4 THR C C 4.790 2.124 -11.356 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 6 . 1423 . 1 1 4 THR CA C 4.935 2.158 -9.838 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 6 . 1424 . 1 1 4 THR CB C 5.918 1.052 -9.404 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 6 . 1425 . 1 1 4 THR CG2 C 7.305 1.307 -9.974 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1426 . 1 1 4 THR H H 3.056 1.269 -9.446 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 6 . 1427 . 1 1 4 THR HA H 5.349 3.112 -9.548 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 6 . 1428 . 1 1 4 THR HB H 5.559 0.105 -9.780 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 6 . 1429 . 1 1 4 THR HG1 H 6.570 1.684 -7.654 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1430 . 1 1 4 THR HG21 H 7.660 2.271 -9.640 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 6 . 1431 . 1 1 4 THR HG22 H 7.981 0.537 -9.634 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 6 . 1432 . 1 1 4 THR HG23 H 7.259 1.295 -11.053 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 6 . 1433 . 1 1 4 THR N N 3.643 2.007 -9.183 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 6 . 1434 . 1 1 4 THR O O 4.256 1.166 -11.916 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 6 . 1435 . 1 1 4 THR OG1 O 5.987 0.993 -7.976 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1436 . 1 1 5 ILE C C 6.406 3.989 -14.038 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 6 . 1437 . 1 1 5 ILE CA C 5.192 3.263 -13.467 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 6 . 1438 . 1 1 5 ILE CB C 3.912 3.990 -13.921 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 6 . 1439 . 1 1 5 ILE CD1 C 1.389 4.071 -13.600 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 6 . 1440 . 1 1 5 ILE CG1 C 2.683 3.366 -13.258 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1441 . 1 1 5 ILE CG2 C 3.785 3.943 -15.436 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1442 . 1 1 5 ILE H H 5.683 3.906 -11.512 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 6 . 1443 . 1 1 5 ILE HA H 5.169 2.257 -13.862 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 6 . 1444 . 1 1 5 ILE HB H 3.988 5.024 -13.622 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 6 . 1445 . 1 1 5 ILE HD11 H 1.583 4.851 -14.321 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 6 . 1446 . 1 1 5 ILE HD12 H 0.691 3.359 -14.019 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 6 . 1447 . 1 1 5 ILE HD13 H 0.967 4.505 -12.705 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 6 . 1448 . 1 1 5 ILE HG12 H 2.594 2.338 -13.573 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 6 . 1449 . 1 1 5 ILE HG13 H 2.806 3.399 -12.185 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 6 . 1450 . 1 1 5 ILE HG21 H 2.897 3.391 -15.706 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 6 . 1451 . 1 1 5 ILE HG22 H 3.715 4.950 -15.823 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 6 . 1452 . 1 1 5 ILE HG23 H 4.653 3.456 -15.855 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 6 . 1453 . 1 1 5 ILE N N 5.269 3.174 -12.015 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 6 . 1454 . 1 1 5 ILE O O 6.730 5.100 -13.620 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 6 . 1455 . 1 1 6 . C C 9.366 4.152 -14.617 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 6 . 1456 . 1 1 6 . CA C 8.248 3.938 -15.629 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 6 . 1457 . 1 1 6 . CB C 7.890 5.262 -16.308 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 6 . 1458 . 1 1 6 . CD C 6.082 6.522 -17.516 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 6 . 1459 . 1 1 6 . CE C 5.304 6.956 -16.283 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 6 . 1460 . 1 1 6 . CG C 6.744 5.168 -17.306 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 6 . 1461 . 1 1 6 . CH C 5.419 8.827 -14.646 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 6 . 1462 . 1 1 6 . CH3 C 6.643 8.713 -13.771 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 6 . 1463 . 1 1 6 . H H 6.753 2.444 -15.297 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 6 . 1464 . 1 1 6 . HB2 H 7.616 5.996 -15.551 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1465 . 1 1 6 . HB3 H 8.764 5.647 -16.835 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1466 . 1 1 6 . HCA H 8.613 3.246 -16.389 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 6 . 1467 . 1 1 6 . HD2 H 6.844 7.269 -17.737 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1468 . 1 1 6 . HD3 H 5.399 6.464 -18.363 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 6 . 1469 . 1 1 6 . HE2 H 4.238 6.818 -16.457 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1470 . 1 1 6 . HE3 H 5.594 6.336 -15.434 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1471 . 1 1 6 . HG2 H 7.123 4.806 -18.263 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1472 . 1 1 6 . HG3 H 6.000 4.462 -16.939 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1473 . 1 1 6 . HH31 H 7.494 9.172 -14.273 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 6 . 1474 . 1 1 6 . HH32 H 6.461 9.225 -12.825 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 6 . 1475 . 1 1 6 . HH33 H 6.857 7.663 -13.581 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 6 . 1476 . 1 1 6 . HZ H 6.507 8.623 -16.176 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 6 . 1477 . 1 1 6 . N N 7.071 3.354 -14.998 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 6 . 1478 . 1 1 6 . NZ N 5.555 8.383 -15.940 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 6 . 1479 . 1 1 6 . O O 10.116 5.124 -14.703 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 6 . 1480 . 1 1 6 . OH O 4.297 9.300 -14.258 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 6 . 1481 . 1 1 7 GLY C C 10.511 4.700 -11.965 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 6 . 1482 . 1 1 7 GLY CA C 10.504 3.345 -12.643 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 6 . 1483 . 1 1 7 GLY H H 8.847 2.484 -13.641 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 6 . 1484 . 1 1 7 GLY HA2 H 10.340 2.582 -11.897 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 6 . 1485 . 1 1 7 GLY HA3 H 11.467 3.182 -13.105 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 6 . 1486 . 1 1 7 GLY N N 9.473 3.238 -13.659 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 6 . 1487 . 1 1 7 GLY O O 11.538 5.378 -11.927 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 6 . 1488 . 1 1 8 . C C 8.248 6.299 -9.593 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 6 . 1489 . 1 1 8 . CA C 9.237 6.381 -10.749 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 6 . 1490 . 1 1 8 . CB C 8.804 7.469 -11.734 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 6 . 1491 . 1 1 8 . CD C 10.715 8.466 -13.029 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 6 . 1492 . 1 1 8 . CE C 10.141 9.099 -14.288 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 6 . 1493 . 1 1 8 . CG C 9.774 8.638 -11.844 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 6 . 1494 . 1 1 8 . CH C 11.123 10.925 -15.666 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 6 . 1495 . 1 1 8 . CH3 C 11.833 11.183 -16.973 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 6 . 1496 . 1 1 8 . H H 8.554 4.494 -11.492 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 6 . 1497 . 1 1 8 . HB2 H 8.689 7.036 -12.728 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1498 . 1 1 8 . HB3 H 7.833 7.866 -11.435 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1499 . 1 1 8 . HCA H 10.210 6.652 -10.337 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 6 . 1500 . 1 1 8 . HD2 H 11.674 8.931 -12.801 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1501 . 1 1 8 . HD3 H 10.880 7.404 -13.209 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 6 . 1502 . 1 1 8 . HE2 H 9.573 8.355 -14.843 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1503 . 1 1 8 . HE3 H 9.467 9.910 -14.012 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1504 . 1 1 8 . HG2 H 9.214 9.566 -11.969 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1505 . 1 1 8 . HG3 H 10.363 8.709 -10.931 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1506 . 1 1 8 . HH31 H 12.180 12.216 -17.002 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 6 . 1507 . 1 1 8 . HH32 H 12.686 10.510 -17.061 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 6 . 1508 . 1 1 8 . HH33 H 11.145 11.009 -17.799 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 6 . 1509 . 1 1 8 . HZ H 12.090 9.639 -14.678 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 6 . 1510 . 1 1 8 . N N 9.362 5.098 -11.428 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 6 . 1511 . 1 1 8 . NZ N 11.209 9.644 -15.171 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 6 . 1512 . 1 1 8 . O O 7.300 5.512 -9.627 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 6 . 1513 . 1 1 8 . OH O 10.469 11.808 -15.015 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 6 . 1514 . 1 1 9 THR C C 6.794 8.426 -7.338 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 6 . 1515 . 1 1 9 THR CA C 7.603 7.135 -7.401 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 6 . 1516 . 1 1 9 THR CB C 8.409 6.984 -6.097 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 6 . 1517 . 1 1 9 THR CG2 C 7.813 5.897 -5.216 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1518 . 1 1 9 THR H H 9.245 7.719 -8.601 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 6 . 1519 . 1 1 9 THR HA H 6.923 6.299 -7.477 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 6 . 1520 . 1 1 9 THR HB H 8.375 7.921 -5.560 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 6 . 1521 . 1 1 9 THR HG1 H 10.353 7.159 -5.811 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1522 . 1 1 9 THR HG21 H 6.741 5.881 -5.338 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 6 . 1523 . 1 1 9 THR HG22 H 8.222 4.938 -5.500 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 6 . 1524 . 1 1 9 THR HG23 H 8.055 6.098 -4.183 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 6 . 1525 . 1 1 9 THR N N 8.473 7.116 -8.570 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 6 . 1526 . 1 1 9 THR O O 6.869 9.260 -8.241 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 6 . 1527 . 1 1 9 THR OG1 O 9.772 6.668 -6.399 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1528 . 1 1 10 TRP C C 4.438 9.717 -4.771 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 6 . 1529 . 1 1 10 TRP CA C 5.201 9.777 -6.089 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 6 . 1530 . 1 1 10 TRP CB C 4.222 9.926 -7.254 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 6 . 1531 . 1 1 10 TRP CD1 C 2.597 7.964 -6.978 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 6 . 1532 . 1 1 10 TRP CD2 C 3.860 7.860 -8.825 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1533 . 1 1 10 TRP CE2 C 3.017 6.731 -8.792 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1534 . 1 1 10 TRP CE3 C 4.743 8.011 -9.897 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1535 . 1 1 10 TRP CG C 3.575 8.635 -7.655 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 6 . 1536 . 1 1 10 TRP CH2 C 3.910 5.933 -10.828 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 6 . 1537 . 1 1 10 TRP CZ2 C 3.035 5.760 -9.790 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 6 . 1538 . 1 1 10 TRP CZ3 C 4.760 7.046 -10.887 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 6 . 1539 . 1 1 10 TRP H H 6.006 7.884 -5.583 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 6 . 1540 . 1 1 10 TRP HA H 5.859 10.632 -6.072 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 6 . 1541 . 1 1 10 TRP HB2 H 3.441 10.617 -6.974 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1542 . 1 1 10 TRP HB3 H 4.752 10.315 -8.113 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1543 . 1 1 10 TRP HD1 H 2.166 8.295 -6.045 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 6 . 1544 . 1 1 10 TRP HE1 H 1.580 6.168 -7.371 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 6 . 1545 . 1 1 10 TRP HE3 H 5.405 8.861 -9.960 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1546 . 1 1 10 TRP HH2 H 3.957 5.205 -11.623 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 6 . 1547 . 1 1 10 TRP HZ2 H 2.386 4.897 -9.760 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 6 . 1548 . 1 1 10 TRP HZ3 H 5.436 7.144 -11.723 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 6 . 1549 . 1 1 10 TRP N N 6.023 8.585 -6.268 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 6 . 1550 . 1 1 10 TRP NE1 N 2.258 6.818 -7.655 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 6 . 1551 . 1 1 10 TRP O O 4.212 10.741 -4.127 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 6 . 1552 . 1 1 11 ARG C C 1.945 9.016 -3.196 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 6 . 1553 . 1 1 11 ARG CA C 3.301 8.319 -3.134 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 6 . 1554 . 1 1 11 ARG CB C 4.106 8.852 -1.947 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 6 . 1555 . 1 1 11 ARG CD C 2.791 9.550 0.077 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 6 . 1556 . 1 1 11 ARG CG C 3.558 8.423 -0.597 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 6 . 1557 . 1 1 11 ARG CZ C 3.255 11.768 1.032 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 6 . 1558 . 1 1 11 ARG H H 4.251 7.732 -4.932 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 6 . 1559 . 1 1 11 ARG HA H 3.143 7.260 -3.003 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 6 . 1560 . 1 1 11 ARG HB2 H 5.124 8.497 -2.028 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1561 . 1 1 11 ARG HB3 H 4.108 9.931 -1.985 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1562 . 1 1 11 ARG HD2 H 1.958 9.826 -0.550 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1563 . 1 1 11 ARG HD3 H 2.424 9.198 1.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 6 . 1564 . 1 1 11 ARG HE H 4.513 10.740 -0.125 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 6 . 1565 . 1 1 11 ARG HG2 H 2.893 7.585 -0.739 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1566 . 1 1 11 ARG HG3 H 4.381 8.129 0.038 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1567 . 1 1 11 ARG HH11 H 1.446 11.000 1.503 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 6 . 1568 . 1 1 11 ARG HH12 H 1.785 12.563 2.169 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 6 . 1569 . 1 1 11 ARG HH21 H 4.971 12.797 0.748 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 6 . 1570 . 1 1 11 ARG HH22 H 3.790 13.584 1.739 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 6 . 1571 . 1 1 11 ARG N N 4.041 8.512 -4.375 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 6 . 1572 . 1 1 11 ARG NE N 3.628 10.727 0.298 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 6 . 1573 . 1 1 11 ARG NH1 N 2.064 11.778 1.616 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 6 . 1574 . 1 1 11 ARG NH2 N 4.072 12.802 1.186 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 6 . 1575 . 1 1 11 ARG O O 1.862 10.243 -3.136 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 6 . 1576 . 1 1 12 THR C C -1.265 8.418 -2.136 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 6 . 1577 . 1 1 12 THR CA C -0.468 8.764 -3.388 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 6 . 1578 . 1 1 12 THR CB C -1.219 8.235 -4.625 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 6 . 1579 . 1 1 12 THR CG2 C -1.079 6.725 -4.738 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1580 . 1 1 12 THR H H 1.015 7.254 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 6 . 1581 . 1 1 12 THR HA H -0.394 9.839 -3.471 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 6 . 1582 . 1 1 12 THR HB H -0.794 8.689 -5.507 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 6 . 1583 . 1 1 12 THR HG1 H -3.113 8.023 -5.132 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1584 . 1 1 12 THR HG21 H -1.588 6.381 -5.626 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 6 . 1585 . 1 1 12 THR HG22 H -0.032 6.465 -4.800 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 6 . 1586 . 1 1 12 THR HG23 H -1.515 6.257 -3.868 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 6 . 1587 . 1 1 12 THR N N 0.883 8.224 -3.316 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 6 . 1588 . 1 1 12 THR O O -2.024 9.243 -1.625 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 6 . 1589 . 1 1 12 THR OG1 O -2.605 8.586 -4.542 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 6 . 1590 . 1 1 13 . C C -0.812 6.331 0.639 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 6 . 1591 . 1 1 13 . CA C -1.791 6.739 -0.454 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 6 . 1592 . 1 1 13 . CB C -2.719 5.570 -0.792 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 6 . 1593 . 1 1 13 . CD C -5.080 4.713 -0.875 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 6 . 1594 . 1 1 13 . CE C -6.509 4.930 -0.399 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 6 . 1595 . 1 1 13 . CG C -4.124 5.697 -0.216 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 6 . 1596 . 1 1 13 . CH C -8.581 6.134 -1.070 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 6 . 1597 . 1 1 13 . CH3 C -9.569 6.170 -2.211 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 6 . 1598 . 1 1 13 . H H -0.452 6.566 -2.114 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 6 . 1599 . 1 1 13 . HB2 H -2.809 5.478 -1.875 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1600 . 1 1 13 . HB3 H -2.285 4.642 -0.420 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1601 . 1 1 13 . HCA H -2.395 7.563 -0.070 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 6 . 1602 . 1 1 13 . HD2 H -5.043 4.839 -1.957 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 6 . 1603 . 1 1 13 . HD3 H -4.778 3.694 -0.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 6 . 1604 . 1 1 13 . HE2 H -6.992 3.965 -0.244 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1605 . 1 1 13 . HE3 H -6.500 5.464 0.552 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 6 . 1606 . 1 1 13 . HG2 H -4.096 5.499 0.857 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1607 . 1 1 13 . HG3 H -4.491 6.709 -0.373 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1608 . 1 1 13 . HH31 H -9.847 7.202 -2.420 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 6 . 1609 . 1 1 13 . HH32 H -9.113 5.729 -3.098 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 6 . 1610 . 1 1 13 . HH33 H -10.458 5.602 -1.940 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 6 . 1611 . 1 1 13 . HZ H -6.825 6.571 -1.602 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 6 . 1612 . 1 1 13 . N N -1.089 7.196 -1.647 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 6 . 1613 . 1 1 13 . NZ N -7.310 5.714 -1.379 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 6 . 1614 . 1 1 13 . O O 0.390 6.572 0.529 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 6 . 1615 . 1 1 13 . OH O -8.859 6.466 0.132 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 6 . 1616 . 1 1 14 GLN C C -0.298 3.759 2.767 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 6 . 1617 . 1 1 14 GLN CA C -0.505 5.271 2.808 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 6 . 1618 . 1 1 14 GLN CB C -1.143 5.675 4.137 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 6 . 1619 . 1 1 14 GLN CD C -2.014 7.568 5.566 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 6 . 1620 . 1 1 14 GLN CG C -1.176 7.178 4.364 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 6 . 1621 . 1 1 14 GLN H H -2.300 5.548 1.721 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 6 . 1622 . 1 1 14 GLN HA H 0.456 5.755 2.718 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 6 . 1623 . 1 1 14 GLN HB2 H -2.157 5.306 4.163 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1624 . 1 1 14 GLN HB3 H -0.584 5.223 4.944 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1625 . 1 1 14 GLN HE21 H -1.780 9.494 5.133 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 6 . 1626 . 1 1 14 GLN HE22 H -2.730 9.149 6.533 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 6 . 1627 . 1 1 14 GLN HG2 H -0.166 7.528 4.521 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 6 . 1628 . 1 1 14 GLN HG3 H -1.588 7.652 3.486 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 6 . 1629 . 1 1 14 GLN N N -1.334 5.712 1.692 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 6 . 1630 . 1 1 14 GLN NE2 N -2.193 8.869 5.765 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 6 . 1631 . 1 1 14 GLN O O -1.016 3.007 3.426 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 6 . 1632 . 1 1 14 GLN OE1 O -2.496 6.710 6.306 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 6 . 1633 . 1 1 15 CYS C C 1.163 1.258 3.234 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 6 . 1634 . 1 1 15 CYS CA C 0.988 1.902 1.862 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 6 . 1635 . 1 1 15 CYS CB C 2.254 1.700 1.027 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 6 . 1636 . 1 1 15 CYS H H 1.225 3.971 1.487 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 6 . 1637 . 1 1 15 CYS HA H 0.157 1.430 1.360 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 6 . 1638 . 1 1 15 CYS HB2 H 2.380 2.548 0.369 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 6 . 1639 . 1 1 15 CYS HB3 H 3.105 1.634 1.688 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 6 . 1640 . 1 1 15 CYS N N 0.687 3.323 1.990 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 6 . 1641 . 1 1 15 CYS O O 2.217 1.379 3.857 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 6 . 1642 . 1 1 15 CYS SG S 2.233 0.199 -0.004 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 6 . 1643 . 1 1 16 NH2 HN1 H -0.765 0.790 3.460 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 6 . 1644 . 1 1 16 NH2 N N 0.193 0.579 3.748 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 7 . 1645 . 1 1 1 ACE C C 1.498 0.938 -2.270 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 7 . 1646 . 1 1 1 ACE CH3 C 2.079 -0.020 -1.249 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 7 . 1647 . 1 1 1 ACE H1 H 3.074 -0.258 -1.627 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 7 . 1648 . 1 1 1 ACE H2 H 1.253 -0.729 -1.199 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 7 . 1649 . 1 1 1 ACE O O 0.296 0.918 -2.534 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 7 . 1650 . 1 1 2 TRP C C 1.990 2.161 -5.244 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 7 . 1651 . 1 1 2 TRP CA C 1.915 2.750 -3.839 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 7 . 1652 . 1 1 2 TRP CB C 2.769 4.016 -3.757 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 7 . 1653 . 1 1 2 TRP CD1 C 2.059 4.683 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 7 . 1654 . 1 1 2 TRP CD2 C 4.264 4.812 -1.757 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1655 . 1 1 2 TRP CE2 C 4.008 5.203 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1656 . 1 1 2 TRP CE3 C 5.584 4.812 -2.218 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1657 . 1 1 2 TRP CG C 3.004 4.484 -2.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 7 . 1658 . 1 1 2 TRP CH2 C 6.306 5.581 -0.035 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 7 . 1659 . 1 1 2 TRP CZ2 C 5.024 5.590 0.442 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 7 . 1660 . 1 1 2 TRP CZ3 C 6.590 5.196 -1.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 7 . 1661 . 1 1 2 TRP H H 3.298 1.746 -2.591 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 7 . 1662 . 1 1 2 TRP HA H 0.887 3.006 -3.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 7 . 1663 . 1 1 2 TRP HB2 H 3.731 3.823 -4.209 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1664 . 1 1 2 TRP HB3 H 2.275 4.810 -4.296 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1665 . 1 1 2 TRP HD1 H 1.000 4.523 -1.529 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 7 . 1666 . 1 1 2 TRP HE1 H 2.188 5.327 0.608 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 7 . 1667 . 1 1 2 TRP HE3 H 5.822 4.519 -3.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1668 . 1 1 2 TRP HH2 H 7.124 5.873 0.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 7 . 1669 . 1 1 2 TRP HZ2 H 4.821 5.888 1.460 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 7 . 1670 . 1 1 2 TRP HZ3 H 7.616 5.204 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 7 . 1671 . 1 1 2 TRP N N 2.352 1.778 -2.843 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 7 . 1672 . 1 1 2 TRP NE1 N 2.656 5.116 -0.228 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 7 . 1673 . 1 1 2 TRP O O 2.199 0.959 -5.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 7 . 1674 . 1 1 3 LYS C C 3.243 2.845 -8.244 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 7 . 1675 . 1 1 3 LYS CA C 1.868 2.578 -7.639 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 7 . 1676 . 1 1 3 LYS CB C 0.792 3.293 -8.458 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 7 . 1677 . 1 1 3 LYS CD C -0.724 2.515 -10.304 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 7 . 1678 . 1 1 3 LYS CE C -0.776 1.592 -11.511 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 7 . 1679 . 1 1 3 LYS CG C 0.709 2.820 -9.899 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 7 . 1680 . 1 1 3 LYS H H 1.655 3.960 -6.050 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 7 . 1681 . 1 1 3 LYS HA H 1.680 1.515 -7.661 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 7 . 1682 . 1 1 3 LYS HB2 H -0.168 3.128 -7.990 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1683 . 1 1 3 LYS HB3 H 1.003 4.352 -8.461 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1684 . 1 1 3 LYS HD2 H -1.230 2.038 -9.478 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1685 . 1 1 3 LYS HD3 H -1.224 3.441 -10.548 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 7 . 1686 . 1 1 3 LYS HE2 H -0.504 2.154 -12.391 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1687 . 1 1 3 LYS HE3 H -0.070 0.788 -11.365 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1688 . 1 1 3 LYS HG2 H 1.098 3.592 -10.545 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1689 . 1 1 3 LYS HG3 H 1.302 1.923 -10.008 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1690 . 1 1 3 LYS HZ1 H -2.078 0.157 -12.296 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 7 . 1691 . 1 1 3 LYS HZ2 H -2.552 0.761 -10.789 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 7 . 1692 . 1 1 3 LYS HZ3 H -2.753 1.703 -12.180 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 7 . 1693 . 1 1 3 LYS N N 1.818 3.014 -6.248 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 7 . 1694 . 1 1 3 LYS NZ N -2.135 1.013 -11.708 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 7 . 1695 . 1 1 3 LYS O O 3.927 3.795 -7.860 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 7 . 1696 . 1 1 4 THR C C 4.787 2.117 -11.366 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 7 . 1697 . 1 1 4 THR CA C 4.934 2.150 -9.850 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 7 . 1698 . 1 1 4 THR CB C 5.914 1.043 -9.416 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 7 . 1699 . 1 1 4 THR CG2 C 7.309 1.309 -9.963 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1700 . 1 1 4 THR H H 3.052 1.266 -9.454 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 7 . 1701 . 1 1 4 THR HA H 5.351 3.104 -9.559 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 7 . 1702 . 1 1 4 THR HB H 5.563 0.099 -9.810 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 7 . 1703 . 1 1 4 THR HG1 H 6.771 0.521 -7.719 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1704 . 1 1 4 THR HG21 H 7.983 0.540 -9.617 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 7 . 1705 . 1 1 4 THR HG22 H 7.278 1.304 -11.042 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 7 . 1706 . 1 1 4 THR HG23 H 7.653 2.273 -9.616 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 7 . 1707 . 1 1 4 THR N N 3.642 2.004 -9.192 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 7 . 1708 . 1 1 4 THR O O 4.248 1.161 -11.926 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 7 . 1709 . 1 1 4 THR OG1 O 5.963 0.964 -7.988 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1710 . 1 1 5 ILE C C 6.404 3.977 -14.051 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 7 . 1711 . 1 1 5 ILE CA C 5.190 3.254 -13.479 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 7 . 1712 . 1 1 5 ILE CB C 3.912 3.985 -13.931 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 7 . 1713 . 1 1 5 ILE CD1 C 1.383 4.038 -13.650 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 7 . 1714 . 1 1 5 ILE CG1 C 2.682 3.363 -13.267 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1715 . 1 1 5 ILE CG2 C 3.784 3.939 -15.446 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1716 . 1 1 5 ILE H H 5.686 3.896 -11.524 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 7 . 1717 . 1 1 5 ILE HA H 5.164 2.248 -13.873 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 7 . 1718 . 1 1 5 ILE HB H 3.991 5.018 -13.630 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 7 . 1719 . 1 1 5 ILE HD11 H 1.569 5.080 -13.868 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 7 . 1720 . 1 1 5 ILE HD12 H 0.970 3.556 -14.523 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 7 . 1721 . 1 1 5 ILE HD13 H 0.682 3.962 -12.831 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 7 . 1722 . 1 1 5 ILE HG12 H 2.611 2.326 -13.553 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 7 . 1723 . 1 1 5 ILE HG13 H 2.787 3.430 -12.195 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 7 . 1724 . 1 1 5 ILE HG21 H 3.756 4.947 -15.835 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 7 . 1725 . 1 1 5 ILE HG22 H 4.631 3.416 -15.864 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 7 . 1726 . 1 1 5 ILE HG23 H 2.873 3.425 -15.715 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 7 . 1727 . 1 1 5 ILE N N 5.268 3.165 -12.026 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 7 . 1728 . 1 1 5 ILE O O 6.717 5.098 -13.652 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 7 . 1729 . 1 1 6 . C C 9.372 4.143 -14.602 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 7 . 1730 . 1 1 6 . CA C 8.265 3.905 -15.620 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 7 . 1731 . 1 1 6 . CB C 7.908 5.214 -16.325 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 7 . 1732 . 1 1 6 . CD C 6.110 6.455 -17.568 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 7 . 1733 . 1 1 6 . CE C 5.350 6.942 -16.345 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 7 . 1734 . 1 1 6 . CG C 6.757 5.101 -17.317 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 7 . 1735 . 1 1 6 . CH C 5.316 8.868 -14.769 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 7 . 1736 . 1 1 6 . CH3 C 4.119 9.679 -15.201 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 7 . 1737 . 1 1 6 . H H 6.778 2.407 -15.273 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 7 . 1738 . 1 1 6 . HB2 H 7.637 5.966 -15.583 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1739 . 1 1 6 . HB3 H 8.780 5.587 -16.865 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1740 . 1 1 6 . HCA H 8.642 3.200 -16.363 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 7 . 1741 . 1 1 6 . HD2 H 6.879 7.184 -17.823 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1742 . 1 1 6 . HD3 H 5.418 6.376 -18.407 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 7 . 1743 . 1 1 6 . HE2 H 4.319 7.163 -16.619 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1744 . 1 1 6 . HE3 H 5.339 6.157 -15.586 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1745 . 1 1 6 . HG2 H 7.130 4.704 -18.262 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1746 . 1 1 6 . HG3 H 6.007 4.415 -16.925 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1747 . 1 1 6 . HH31 H 4.253 10.008 -16.231 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 7 . 1748 . 1 1 6 . HH32 H 3.220 9.066 -15.130 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 7 . 1749 . 1 1 6 . HH33 H 4.018 10.550 -14.554 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 7 . 1750 . 1 1 6 . HZ H 6.851 7.930 -15.341 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 7 . 1751 . 1 1 6 . N N 7.085 3.326 -14.989 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 7 . 1752 . 1 1 6 . NZ N 5.962 8.165 -15.759 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 7 . 1753 . 1 1 6 . O O 10.118 5.119 -14.696 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 7 . 1754 . 1 1 6 . OH O 5.747 8.803 -13.569 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 7 . 1755 . 1 1 7 GLY C C 10.488 4.743 -11.946 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 7 . 1756 . 1 1 7 GLY CA C 10.497 3.377 -12.603 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 7 . 1757 . 1 1 7 GLY H H 8.854 2.488 -13.601 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 7 . 1758 . 1 1 7 GLY HA2 H 10.332 2.624 -11.847 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 7 . 1759 . 1 1 7 GLY HA3 H 11.465 3.213 -13.053 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 7 . 1760 . 1 1 7 GLY N N 9.476 3.246 -13.626 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 7 . 1761 . 1 1 7 GLY O O 11.520 5.410 -11.873 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 7 . 1762 . 1 1 8 . C C 8.184 6.388 -9.666 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 7 . 1763 . 1 1 8 . CA C 9.178 6.457 -10.817 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 7 . 1764 . 1 1 8 . CB C 8.742 7.520 -11.827 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 7 . 1765 . 1 1 8 . CD C 10.780 8.271 -13.092 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 7 . 1766 . 1 1 8 . CE C 10.623 9.124 -14.341 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 7 . 1767 . 1 1 8 . CG C 9.750 8.642 -12.034 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 7 . 1768 . 1 1 8 . CH C 12.898 8.690 -15.251 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 7 . 1769 . 1 1 8 . CH3 C 13.698 9.525 -16.221 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 7 . 1770 . 1 1 8 . H H 8.509 4.565 -11.562 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 7 . 1771 . 1 1 8 . HB2 H 8.559 7.051 -12.794 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1772 . 1 1 8 . HB3 H 7.803 7.970 -11.499 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1773 . 1 1 8 . HCA H 10.146 6.745 -10.405 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 7 . 1774 . 1 1 8 . HD2 H 11.783 8.412 -12.688 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1775 . 1 1 8 . HD3 H 10.662 7.222 -13.362 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 7 . 1776 . 1 1 8 . HE2 H 9.596 9.063 -14.697 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1777 . 1 1 8 . HE3 H 10.840 10.166 -14.100 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1778 . 1 1 8 . HG2 H 9.229 9.547 -12.349 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1779 . 1 1 8 . HG3 H 10.264 8.847 -11.095 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1780 . 1 1 8 . HH31 H 13.807 10.536 -15.828 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 7 . 1781 . 1 1 8 . HH32 H 14.684 9.079 -16.356 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 7 . 1782 . 1 1 8 . HH33 H 13.183 9.561 -17.180 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 7 . 1783 . 1 1 8 . HZ H 11.332 7.728 -15.677 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 7 . 1784 . 1 1 8 . N N 9.320 5.161 -11.470 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 7 . 1785 . 1 1 8 . NZ N 11.535 8.686 -15.433 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 7 . 1786 . 1 1 8 . O O 7.158 5.712 -9.756 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 7 . 1787 . 1 1 8 . OH O 13.408 8.008 -14.299 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 7 . 1788 . 1 1 9 THR C C 6.821 8.405 -7.341 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 7 . 1789 . 1 1 9 THR CA C 7.625 7.111 -7.410 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 7 . 1790 . 1 1 9 THR CB C 8.435 6.954 -6.109 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 7 . 1791 . 1 1 9 THR CG2 C 7.832 5.875 -5.223 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1792 . 1 1 9 THR H H 9.323 7.611 -8.571 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 7 . 1793 . 1 1 9 THR HA H 6.942 6.277 -7.487 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 7 . 1794 . 1 1 9 THR HB H 8.414 7.893 -5.575 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 7 . 1795 . 1 1 9 THR HG1 H 10.359 7.374 -6.223 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1796 . 1 1 9 THR HG21 H 8.257 4.917 -5.481 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 7 . 1797 . 1 1 9 THR HG22 H 8.046 6.097 -4.188 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 7 . 1798 . 1 1 9 THR HG23 H 6.762 5.845 -5.370 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 7 . 1799 . 1 1 9 THR N N 8.492 7.093 -8.582 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 7 . 1800 . 1 1 9 THR O O 6.899 9.243 -8.239 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 7 . 1801 . 1 1 9 THR OG1 O 9.794 6.623 -6.416 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1802 . 1 1 10 TRP C C 4.468 9.689 -4.768 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 7 . 1803 . 1 1 10 TRP CA C 5.232 9.753 -6.086 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 7 . 1804 . 1 1 10 TRP CB C 4.252 9.910 -7.250 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 7 . 1805 . 1 1 10 TRP CD1 C 2.621 7.951 -6.983 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 7 . 1806 . 1 1 10 TRP CD2 C 3.885 7.853 -8.830 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1807 . 1 1 10 TRP CE2 C 3.039 6.726 -8.802 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1808 . 1 1 10 TRP CE3 C 4.768 8.005 -9.900 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1809 . 1 1 10 TRP CG C 3.601 8.623 -7.657 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 7 . 1810 . 1 1 10 TRP CH2 C 3.930 5.935 -10.841 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 7 . 1811 . 1 1 10 TRP CZ2 C 3.054 5.760 -9.804 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 7 . 1812 . 1 1 10 TRP CZ3 C 4.783 7.045 -10.894 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 7 . 1813 . 1 1 10 TRP H H 6.030 7.856 -5.589 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 7 . 1814 . 1 1 10 TRP HA H 5.892 10.607 -6.065 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 7 . 1815 . 1 1 10 TRP HB2 H 3.474 10.603 -6.967 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1816 . 1 1 10 TRP HB3 H 4.782 10.302 -8.106 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1817 . 1 1 10 TRP HD1 H 2.190 8.281 -6.049 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 7 . 1818 . 1 1 10 TRP HE1 H 1.600 6.161 -7.385 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 7 . 1819 . 1 1 10 TRP HE3 H 5.434 8.854 -9.959 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1820 . 1 1 10 TRP HH2 H 3.976 5.210 -11.639 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 7 . 1821 . 1 1 10 TRP HZ2 H 2.402 4.899 -9.779 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 7 . 1822 . 1 1 10 TRP HZ3 H 5.460 7.146 -11.730 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 7 . 1823 . 1 1 10 TRP N N 6.050 8.560 -6.272 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 7 . 1824 . 1 1 10 TRP NE1 N 2.279 6.810 -7.665 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 7 . 1825 . 1 1 10 TRP O O 4.247 10.712 -4.118 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 7 . 1826 . 1 1 11 ARG C C 1.973 8.990 -3.195 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 7 . 1827 . 1 1 11 ARG CA C 3.328 8.289 -3.137 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 7 . 1828 . 1 1 11 ARG CB C 4.135 8.815 -1.949 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 7 . 1829 . 1 1 11 ARG CD C 2.821 9.503 0.080 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 7 . 1830 . 1 1 11 ARG CG C 3.587 8.378 -0.600 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 7 . 1831 . 1 1 11 ARG CZ C 3.255 11.297 1.704 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 7 . 1832 . 1 1 11 ARG H H 4.274 7.707 -4.939 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 7 . 1833 . 1 1 11 ARG HA H 3.166 7.229 -3.010 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 7 . 1834 . 1 1 11 ARG HB2 H 5.151 8.457 -2.033 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1835 . 1 1 11 ARG HB3 H 4.137 9.894 -1.981 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1836 . 1 1 11 ARG HD2 H 2.335 10.098 -0.678 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1837 . 1 1 11 ARG HD3 H 2.076 9.070 0.731 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 7 . 1838 . 1 1 11 ARG HE H 4.665 10.240 0.770 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 7 . 1839 . 1 1 11 ARG HG2 H 2.921 7.541 -0.745 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1840 . 1 1 11 ARG HG3 H 4.410 8.081 0.033 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1841 . 1 1 11 ARG HH11 H 1.302 10.928 1.346 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 7 . 1842 . 1 1 11 ARG HH12 H 1.620 12.190 2.490 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 7 . 1843 . 1 1 11 ARG HH21 H 5.099 11.899 2.274 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 7 . 1844 . 1 1 11 ARG HH22 H 3.781 12.742 3.016 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 7 . 1845 . 1 1 11 ARG N N 4.068 8.484 -4.378 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 7 . 1846 . 1 1 11 ARG NE N 3.698 10.363 0.869 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 7 . 1847 . 1 1 11 ARG NH1 N 1.952 11.488 1.860 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 7 . 1848 . 1 1 11 ARG NH2 N 4.116 12.040 2.388 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 7 . 1849 . 1 1 11 ARG O O 1.894 10.217 -3.135 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 7 . 1850 . 1 1 12 THR C C -1.235 8.405 -2.127 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 7 . 1851 . 1 1 12 THR CA C -0.441 8.745 -3.383 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 7 . 1852 . 1 1 12 THR CB C -1.198 8.214 -4.615 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 7 . 1853 . 1 1 12 THR CG2 C -1.060 6.704 -4.725 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1854 . 1 1 12 THR H H 1.038 7.231 -3.357 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 7 . 1855 . 1 1 12 THR HA H -0.364 9.819 -3.468 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 7 . 1856 . 1 1 12 THR HB H -0.774 8.666 -5.501 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 7 . 1857 . 1 1 12 THR HG1 H -2.672 9.523 -4.554 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1858 . 1 1 12 THR HG21 H -1.577 6.359 -5.609 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 7 . 1859 . 1 1 12 THR HG22 H -0.015 6.441 -4.794 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 7 . 1860 . 1 1 12 THR HG23 H -1.492 6.238 -3.852 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 7 . 1861 . 1 1 12 THR N N 0.909 8.201 -3.314 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 7 . 1862 . 1 1 12 THR O O -1.990 9.232 -1.615 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 7 . 1863 . 1 1 12 THR OG1 O -2.583 8.568 -4.528 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 7 . 1864 . 1 1 13 . C C -0.777 6.307 0.647 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 7 . 1865 . 1 1 13 . CA C -1.759 6.731 -0.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 7 . 1866 . 1 1 13 . CB C -2.704 5.575 -0.773 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 7 . 1867 . 1 1 13 . CD C -5.031 6.023 -1.608 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 7 . 1868 . 1 1 13 . CE C -5.674 4.719 -2.056 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 7 . 1869 . 1 1 13 . CG C -4.155 5.816 -0.381 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 7 . 1870 . 1 1 13 . CH C -7.090 5.077 -4.072 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 7 . 1871 . 1 1 13 . CH3 C -8.415 4.697 -4.687 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 7 . 1872 . 1 1 13 . H H -0.426 6.550 -2.102 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 7 . 1873 . 1 1 13 . HB2 H -2.674 5.379 -1.845 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1874 . 1 1 13 . HB3 H -2.365 4.671 -0.265 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1875 . 1 1 13 . HCA H -2.350 7.561 -0.048 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 7 . 1876 . 1 1 13 . HD2 H -5.814 6.746 -1.378 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 7 . 1877 . 1 1 13 . HD3 H -4.427 6.418 -2.425 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 7 . 1878 . 1 1 13 . HE2 H -5.018 4.213 -2.761 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1879 . 1 1 13 . HE3 H -5.816 4.069 -1.192 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 7 . 1880 . 1 1 13 . HG2 H -4.528 4.958 0.181 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1881 . 1 1 13 . HG3 H -4.219 6.700 0.253 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1882 . 1 1 13 . HH31 H -9.114 4.414 -3.901 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 7 . 1883 . 1 1 13 . HH32 H -8.815 5.547 -5.240 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 7 . 1884 . 1 1 13 . HH33 H -8.273 3.857 -5.366 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 7 . 1885 . 1 1 13 . HZ H -7.610 4.172 -2.500 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 7 . 1886 . 1 1 13 . N N -1.059 7.183 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 7 . 1887 . 1 1 13 . NZ N -6.995 4.945 -2.707 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 7 . 1888 . 1 1 13 . O O 0.427 6.534 0.530 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 7 . 1889 . 1 1 13 . OH O -6.083 5.499 -4.735 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 7 . 1890 . 1 1 14 GLN C C -0.276 3.725 2.761 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 7 . 1891 . 1 1 14 GLN CA C -0.467 5.237 2.810 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 7 . 1892 . 1 1 14 GLN CB C -1.094 5.641 4.146 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 7 . 1893 . 1 1 14 GLN CD C -0.210 7.133 5.983 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 7 . 1894 . 1 1 14 GLN CG C -0.756 7.061 4.571 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 7 . 1895 . 1 1 14 GLN H H -2.266 5.540 1.737 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 7 . 1896 . 1 1 14 GLN HA H 0.497 5.712 2.717 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 7 . 1897 . 1 1 14 GLN HB2 H -2.167 5.558 4.067 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1898 . 1 1 14 GLN HB3 H -0.744 4.967 4.913 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1899 . 1 1 14 GLN HE21 H 1.028 8.598 5.457 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 7 . 1900 . 1 1 14 GLN HE22 H 1.108 8.105 7.111 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 7 . 1901 . 1 1 14 GLN HG2 H -0.013 7.459 3.894 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 7 . 1902 . 1 1 14 GLN HG3 H -1.650 7.663 4.515 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 7 . 1903 . 1 1 14 GLN N N -1.300 5.692 1.702 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 7 . 1904 . 1 1 14 GLN NE2 N 0.738 8.036 6.207 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 7 . 1905 . 1 1 14 GLN O O -1.009 2.975 3.407 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 7 . 1906 . 1 1 14 GLN OE1 O -0.635 6.385 6.865 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 7 . 1907 . 1 1 15 CYS C C 1.152 1.204 3.228 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 7 . 1908 . 1 1 15 CYS CA C 1.002 1.859 1.859 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 7 . 1909 . 1 1 15 CYS CB C 2.276 1.650 1.039 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 7 . 1910 . 1 1 15 CYS H H 1.264 3.929 1.502 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 7 . 1911 . 1 1 15 CYS HA H 0.172 1.400 1.343 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 7 . 1912 . 1 1 15 CYS HB2 H 2.426 2.508 0.398 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 7 . 1913 . 1 1 15 CYS HB3 H 3.116 1.556 1.710 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 7 . 1914 . 1 1 15 CYS N N 0.713 3.283 1.993 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 7 . 1915 . 1 1 15 CYS O O 1.690 1.805 4.159 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 7 . 1916 . 1 1 15 CYS SG S 2.242 0.169 -0.021 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 7 . 1917 . 1 1 16 NH2 HN1 H -0.299 -0.160 3.371 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 7 . 1918 . 1 1 16 NH2 N N 0.709 0.006 3.414 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 8 . 1919 . 1 1 1 ACE C C 1.518 0.937 -2.259 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 8 . 1920 . 1 1 1 ACE CH3 C 2.102 -0.019 -1.239 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 8 . 1921 . 1 1 1 ACE H1 H 3.096 -0.255 -1.618 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 8 . 1922 . 1 1 1 ACE H2 H 1.276 -0.728 -1.186 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 8 . 1923 . 1 1 1 ACE O O 0.316 0.914 -2.524 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 8 . 1924 . 1 1 2 TRP C C 2.006 2.161 -5.233 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 8 . 1925 . 1 1 2 TRP CA C 1.928 2.751 -3.829 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 8 . 1926 . 1 1 2 TRP CB C 2.780 4.019 -3.748 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 8 . 1927 . 1 1 2 TRP CD1 C 2.066 4.687 -1.379 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 8 . 1928 . 1 1 2 TRP CD2 C 4.271 4.822 -1.748 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 8 . 1929 . 1 1 2 TRP CE2 C 4.013 5.213 -0.420 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 8 . 1930 . 1 1 2 TRP CE3 C 5.590 4.825 -2.207 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 8 . 1931 . 1 1 2 TRP CG C 3.011 4.489 -2.343 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 8 . 1932 . 1 1 2 TRP CH2 C 6.310 5.598 -0.026 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 8 . 1933 . 1 1 2 TRP CZ2 C 5.026 5.604 0.451 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 8 . 1934 . 1 1 2 TRP CZ3 C 6.595 5.215 -1.343 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 8 . 1935 . 1 1 2 TRP H H 3.315 1.751 -2.579 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 8 . 1936 . 1 1 2 TRP HA H 0.900 3.003 -3.614 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 8 . 1937 . 1 1 2 TRP HB2 H 3.742 3.829 -4.199 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 1938 . 1 1 2 TRP HB3 H 2.283 4.811 -4.288 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 1939 . 1 1 2 TRP HD1 H 1.009 4.522 -1.521 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 8 . 1940 . 1 1 2 TRP HE1 H 2.192 5.333 0.616 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 8 . 1941 . 1 1 2 TRP HE3 H 5.831 4.533 -3.219 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 1942 . 1 1 2 TRP HH2 H 7.126 5.895 0.615 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 8 . 1943 . 1 1 2 TRP HZ2 H 4.822 5.902 1.469 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 8 . 1944 . 1 1 2 TRP HZ3 H 7.621 5.225 -1.680 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 8 . 1945 . 1 1 2 TRP N N 2.368 1.781 -2.832 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 8 . 1946 . 1 1 2 TRP NE1 N 2.661 5.123 -0.219 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 8 . 1947 . 1 1 2 TRP O O 2.219 0.960 -5.403 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 8 . 1948 . 1 1 3 LYS C C 3.256 2.850 -8.234 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 8 . 1949 . 1 1 3 LYS CA C 1.883 2.577 -7.629 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 8 . 1950 . 1 1 3 LYS CB C 0.802 3.288 -8.447 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 8 . 1951 . 1 1 3 LYS CD C -0.713 2.505 -10.291 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 8 . 1952 . 1 1 3 LYS CE C -0.767 1.523 -11.451 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 8 . 1953 . 1 1 3 LYS CG C 0.719 2.811 -9.887 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 8 . 1954 . 1 1 3 LYS H H 1.664 3.958 -6.039 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 8 . 1955 . 1 1 3 LYS HA H 1.698 1.514 -7.650 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 8 . 1956 . 1 1 3 LYS HB2 H -0.156 3.120 -7.979 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 1957 . 1 1 3 LYS HB3 H 1.010 4.348 -8.453 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 1958 . 1 1 3 LYS HD2 H -1.233 2.076 -9.447 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 8 . 1959 . 1 1 3 LYS HD3 H -1.200 3.424 -10.587 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 8 . 1960 . 1 1 3 LYS HE2 H -1.178 2.026 -12.314 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 8 . 1961 . 1 1 3 LYS HE3 H 0.236 1.190 -11.671 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 1962 . 1 1 3 LYS HG2 H 1.106 3.582 -10.535 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 1963 . 1 1 3 LYS HG3 H 1.314 1.915 -9.996 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 1964 . 1 1 3 LYS HZ1 H -1.132 -0.268 -10.438 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 8 . 1965 . 1 1 3 LYS HZ2 H -2.525 0.643 -10.742 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 8 . 1966 . 1 1 3 LYS HZ3 H -1.787 -0.218 -11.998 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 8 . 1967 . 1 1 3 LYS N N 1.831 3.013 -6.238 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 8 . 1968 . 1 1 3 LYS NZ N -1.612 0.337 -11.135 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 8 . 1969 . 1 1 3 LYS O O 3.937 3.802 -7.851 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 8 . 1970 . 1 1 4 THR C C 4.799 2.125 -11.358 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 8 . 1971 . 1 1 4 THR CA C 4.948 2.161 -9.842 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 8 . 1972 . 1 1 4 THR CB C 5.933 1.059 -9.407 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 8 . 1973 . 1 1 4 THR CG2 C 7.333 1.350 -9.926 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 8 . 1974 . 1 1 4 THR H H 3.069 1.271 -9.446 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 8 . 1975 . 1 1 4 THR HA H 5.360 3.117 -9.553 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 8 . 1976 . 1 1 4 THR HB H 5.600 0.117 -9.821 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 8 . 1977 . 1 1 4 THR HG1 H 6.142 0.052 -7.724 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 8 . 1978 . 1 1 4 THR HG21 H 8.039 0.689 -9.444 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 8 . 1979 . 1 1 4 THR HG22 H 7.363 1.191 -10.994 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 8 . 1980 . 1 1 4 THR HG23 H 7.593 2.375 -9.706 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 8 . 1981 . 1 1 4 THR N N 3.657 2.010 -9.183 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 8 . 1982 . 1 1 4 THR O O 4.261 1.168 -11.916 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 8 . 1983 . 1 1 4 THR OG1 O 5.958 0.960 -7.980 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 8 . 1984 . 1 1 5 ILE C C 6.414 3.983 -14.048 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 8 . 1985 . 1 1 5 ILE CA C 5.201 3.258 -13.473 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 8 . 1986 . 1 1 5 ILE CB C 3.921 3.985 -13.926 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 8 . 1987 . 1 1 5 ILE CD1 C 1.392 4.031 -13.648 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 8 . 1988 . 1 1 5 ILE CG1 C 2.692 3.360 -13.265 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 8 . 1989 . 1 1 5 ILE CG2 C 3.795 3.942 -15.442 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 8 . 1990 . 1 1 5 ILE H H 5.697 3.904 -11.520 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 8 . 1991 . 1 1 5 ILE HA H 5.177 2.251 -13.866 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 8 . 1992 . 1 1 5 ILE HB H 3.996 5.020 -13.625 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 8 . 1993 . 1 1 5 ILE HD11 H 0.711 4.005 -12.810 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 8 . 1994 . 1 1 5 ILE HD12 H 1.584 5.057 -13.924 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 8 . 1995 . 1 1 5 ILE HD13 H 0.951 3.510 -14.486 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 8 . 1996 . 1 1 5 ILE HG12 H 2.626 2.323 -13.551 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 8 . 1997 . 1 1 5 ILE HG13 H 2.797 3.427 -12.192 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 8 . 1998 . 1 1 5 ILE HG21 H 3.738 4.948 -15.828 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 8 . 1999 . 1 1 5 ILE HG22 H 4.656 3.443 -15.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 8 . 2000 . 1 1 5 ILE HG23 H 2.899 3.402 -15.713 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 8 . 2001 . 1 1 5 ILE N N 5.279 3.172 -12.021 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 8 . 2002 . 1 1 5 ILE O O 6.763 5.077 -13.604 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 8 . 2003 . 1 1 6 . C C 9.345 4.173 -14.668 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 8 . 2004 . 1 1 6 . CA C 8.224 3.949 -15.675 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 8 . 2005 . 1 1 6 . CB C 7.861 5.268 -16.361 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 8 . 2006 . 1 1 6 . CD C 6.059 6.520 -17.587 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 8 . 2007 . 1 1 6 . CE C 5.277 6.975 -16.365 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 8 . 2008 . 1 1 6 . CG C 6.711 5.165 -17.353 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 8 . 2009 . 1 1 6 . CH C 5.112 8.965 -14.877 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 8 . 2010 . 1 1 6 . CH3 C 3.891 9.659 -15.427 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 8 . 2011 . 1 1 6 . H H 6.713 2.468 -15.355 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 8 . 2012 . 1 1 6 . HB2 H 7.587 6.007 -15.606 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2013 . 1 1 6 . HB3 H 8.731 5.653 -16.894 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2014 . 1 1 6 . HCA H 8.590 3.253 -16.432 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 8 . 2015 . 1 1 6 . HD2 H 6.828 7.259 -17.813 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 8 . 2016 . 1 1 6 . HD3 H 5.381 6.455 -18.438 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 8 . 2017 . 1 1 6 . HE2 H 4.240 7.160 -16.644 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 8 . 2018 . 1 1 6 . HE3 H 5.291 6.189 -15.609 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 2019 . 1 1 6 . HG2 H 7.085 4.783 -18.304 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2020 . 1 1 6 . HG3 H 5.962 4.472 -16.972 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 2021 . 1 1 6 . HH31 H 3.994 9.778 -16.506 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 8 . 2022 . 1 1 6 . HH32 H 3.006 9.060 -15.211 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 8 . 2023 . 1 1 6 . HH33 H 3.790 10.638 -14.963 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 8 . 2024 . 1 1 6 . HZ H 6.686 7.996 -15.264 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 8 . 2025 . 1 1 6 . N N 7.051 3.365 -15.037 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 8 . 2026 . 1 1 6 . NZ N 5.843 8.218 -15.774 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 8 . 2027 . 1 1 6 . O O 10.091 5.147 -14.760 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 8 . 2028 . 1 1 6 . OH O 5.492 9.033 -13.660 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 8 . 2029 . 1 1 7 GLY C C 10.495 4.739 -12.021 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 8 . 2030 . 1 1 7 GLY CA C 10.491 3.379 -12.692 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 8 . 2031 . 1 1 7 GLY H H 8.834 2.507 -13.681 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 8 . 2032 . 1 1 7 GLY HA2 H 10.333 2.619 -11.943 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 8 . 2033 . 1 1 7 GLY HA3 H 11.454 3.218 -13.157 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 8 . 2034 . 1 1 7 GLY N N 9.458 3.264 -13.705 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 8 . 2035 . 1 1 7 GLY O O 11.510 5.435 -12.019 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 8 . 2036 . 1 1 8 . C C 8.241 6.321 -9.619 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 8 . 2037 . 1 1 8 . CA C 9.228 6.403 -10.775 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 8 . 2038 . 1 1 8 . CB C 8.794 7.489 -11.762 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 8 . 2039 . 1 1 8 . CD C 10.641 8.519 -13.120 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 8 . 2040 . 1 1 8 . CE C 9.922 9.017 -14.365 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 8 . 2041 . 1 1 8 . CG C 9.766 8.655 -11.883 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 8 . 2042 . 1 1 8 . CH C 11.695 8.325 -15.968 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 8 . 2043 . 1 1 8 . CH3 C 12.183 7.135 -16.757 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 8 . 2044 . 1 1 8 . H H 8.558 4.501 -11.489 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 8 . 2045 . 1 1 8 . HB2 H 8.671 7.051 -12.753 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2046 . 1 1 8 . HB3 H 7.825 7.889 -11.459 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2047 . 1 1 8 . HCA H 10.202 6.677 -10.364 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 8 . 2048 . 1 1 8 . HD2 H 11.557 9.096 -12.983 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 8 . 2049 . 1 1 8 . HD3 H 10.911 7.473 -13.262 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 8 . 2050 . 1 1 8 . HE2 H 8.849 8.870 -14.248 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 8 . 2051 . 1 1 8 . HE3 H 10.110 10.083 -14.491 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 2052 . 1 1 8 . HG2 H 9.207 9.589 -11.944 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2053 . 1 1 8 . HG3 H 10.403 8.689 -10.999 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 2054 . 1 1 8 . HH31 H 13.273 7.127 -16.767 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 8 . 2055 . 1 1 8 . HH32 H 11.819 6.217 -16.292 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 8 . 2056 . 1 1 8 . HH33 H 11.811 7.197 -17.777 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 8 . 2057 . 1 1 8 . HZ H 10.169 7.318 -15.502 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 8 . 2058 . 1 1 8 . N N 9.356 5.118 -11.452 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 8 . 2059 . 1 1 8 . NZ N 10.373 8.303 -15.591 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 8 . 2060 . 1 1 8 . O O 7.274 5.560 -9.665 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 8 . 2061 . 1 1 8 . OH O 12.425 9.321 -15.643 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 8 . 2062 . 1 1 9 THR C C 6.815 8.418 -7.339 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 8 . 2063 . 1 1 9 THR CA C 7.623 7.127 -7.407 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 8 . 2064 . 1 1 9 THR CB C 8.433 6.974 -6.106 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 8 . 2065 . 1 1 9 THR CG2 C 7.838 5.888 -5.222 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2066 . 1 1 9 THR H H 9.276 7.694 -8.599 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 8 . 2067 . 1 1 9 THR HA H 6.942 6.291 -7.483 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 8 . 2068 . 1 1 9 THR HB H 8.404 7.910 -5.569 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 8 . 2069 . 1 1 9 THR HG1 H 10.287 7.463 -6.564 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 8 . 2070 . 1 1 9 THR HG21 H 6.766 5.863 -5.355 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 8 . 2071 . 1 1 9 THR HG22 H 8.256 4.930 -5.496 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 8 . 2072 . 1 1 9 THR HG23 H 8.067 6.099 -4.188 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 8 . 2073 . 1 1 9 THR N N 8.490 7.111 -8.578 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 8 . 2074 . 1 1 9 THR O O 6.888 9.255 -8.238 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 8 . 2075 . 1 1 9 THR OG1 O 9.795 6.653 -6.411 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 8 . 2076 . 1 1 10 TRP C C 4.458 9.697 -4.766 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 8 . 2077 . 1 1 10 TRP CA C 5.222 9.762 -6.084 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 8 . 2078 . 1 1 10 TRP CB C 4.241 9.915 -7.248 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 8 . 2079 . 1 1 10 TRP CD1 C 2.617 7.950 -6.978 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 8 . 2080 . 1 1 10 TRP CD2 C 3.879 7.855 -8.826 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 8 . 2081 . 1 1 10 TRP CE2 C 3.038 6.726 -8.798 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 8 . 2082 . 1 1 10 TRP CE3 C 4.762 8.010 -9.898 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 8 . 2083 . 1 1 10 TRP CG C 3.594 8.625 -7.653 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 8 . 2084 . 1 1 10 TRP CH2 C 3.930 5.936 -10.837 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 8 . 2085 . 1 1 10 TRP CZ2 C 3.056 5.759 -9.799 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 8 . 2086 . 1 1 10 TRP CZ3 C 4.779 7.049 -10.892 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 8 . 2087 . 1 1 10 TRP H H 6.027 7.869 -5.585 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 8 . 2088 . 1 1 10 TRP HA H 5.879 10.618 -6.064 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 8 . 2089 . 1 1 10 TRP HB2 H 3.460 10.604 -6.965 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2090 . 1 1 10 TRP HB3 H 4.770 10.308 -8.105 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2091 . 1 1 10 TRP HD1 H 2.186 8.278 -6.045 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 8 . 2092 . 1 1 10 TRP HE1 H 1.603 6.156 -7.378 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 8 . 2093 . 1 1 10 TRP HE3 H 5.424 8.861 -9.958 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 2094 . 1 1 10 TRP HH2 H 3.978 5.211 -11.634 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 8 . 2095 . 1 1 10 TRP HZ2 H 2.407 4.896 -9.772 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 8 . 2096 . 1 1 10 TRP HZ3 H 5.455 7.152 -11.728 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 8 . 2097 . 1 1 10 TRP N N 6.044 8.572 -6.269 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 8 . 2098 . 1 1 10 TRP NE1 N 2.279 6.807 -7.661 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 8 . 2099 . 1 1 10 TRP O O 4.233 10.720 -4.118 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 8 . 2100 . 1 1 11 ARG C C 1.967 8.989 -3.192 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 8 . 2101 . 1 1 11 ARG CA C 3.324 8.294 -3.133 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 8 . 2102 . 1 1 11 ARG CB C 4.129 8.824 -1.946 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 8 . 2103 . 1 1 11 ARG CD C 2.815 9.510 0.084 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 8 . 2104 . 1 1 11 ARG CG C 3.584 8.388 -0.596 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 8 . 2105 . 1 1 11 ARG CZ C 3.091 9.017 2.476 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 8 . 2106 . 1 1 11 ARG H H 4.272 7.714 -4.934 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 8 . 2107 . 1 1 11 ARG HA H 3.166 7.234 -3.005 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 8 . 2108 . 1 1 11 ARG HB2 H 5.146 8.472 -2.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2109 . 1 1 11 ARG HB3 H 4.127 9.903 -1.978 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2110 . 1 1 11 ARG HD2 H 3.470 10.361 0.197 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 8 . 2111 . 1 1 11 ARG HD3 H 1.977 9.782 -0.540 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 8 . 2112 . 1 1 11 ARG HE H 1.364 8.915 1.483 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 8 . 2113 . 1 1 11 ARG HG2 H 2.920 7.548 -0.740 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2114 . 1 1 11 ARG HG3 H 4.407 8.094 0.037 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 2115 . 1 1 11 ARG HH11 H 4.785 9.560 1.519 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 8 . 2116 . 1 1 11 ARG HH12 H 4.965 9.209 3.206 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 8 . 2117 . 1 1 11 ARG HH21 H 1.589 8.451 3.705 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 8 . 2118 . 1 1 11 ARG HH22 H 3.147 8.578 4.449 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 8 . 2119 . 1 1 11 ARG N N 4.063 8.490 -4.374 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 8 . 2120 . 1 1 11 ARG NE N 2.319 9.115 1.400 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 8 . 2121 . 1 1 11 ARG NH1 N 4.387 9.283 2.394 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 8 . 2122 . 1 1 11 ARG NH2 N 2.566 8.652 3.639 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 8 . 2123 . 1 1 11 ARG O O 1.882 10.217 -3.133 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 8 . 2124 . 1 1 12 THR C C -1.240 8.392 -2.123 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 8 . 2125 . 1 1 12 THR CA C -0.446 8.736 -3.379 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 8 . 2126 . 1 1 12 THR CB C -1.202 8.204 -4.611 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 8 . 2127 . 1 1 12 THR CG2 C -1.059 6.693 -4.722 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2128 . 1 1 12 THR H H 1.037 7.227 -3.351 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 8 . 2129 . 1 1 12 THR HA H -0.374 9.810 -3.463 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 8 . 2130 . 1 1 12 THR HB H -0.779 8.656 -5.496 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 8 . 2131 . 1 1 12 THR HG1 H -3.019 7.991 -3.874 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 8 . 2132 . 1 1 12 THR HG21 H -1.490 6.226 -3.850 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 8 . 2133 . 1 1 12 THR HG22 H -1.572 6.347 -5.608 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 8 . 2134 . 1 1 12 THR HG23 H -0.012 6.434 -4.789 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 8 . 2135 . 1 1 12 THR N N 0.906 8.197 -3.309 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 8 . 2136 . 1 1 12 THR O O -1.997 9.215 -1.611 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 8 . 2137 . 1 1 12 THR OG1 O -2.588 8.552 -4.525 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 8 . 2138 . 1 1 13 . C C -0.776 6.299 0.651 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 8 . 2139 . 1 1 13 . CA C -1.759 6.715 -0.436 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 8 . 2140 . 1 1 13 . CB C -2.696 5.552 -0.771 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 8 . 2141 . 1 1 13 . CD C -4.646 4.242 0.121 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 8 . 2142 . 1 1 13 . CE C -6.092 4.319 0.588 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 8 . 2143 . 1 1 13 . CG C -4.058 5.629 -0.095 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 8 . 2144 . 1 1 13 . CH C -7.784 5.309 -0.945 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 8 . 2145 . 1 1 13 . CH3 C -8.833 5.795 0.026 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 8 . 2146 . 1 1 13 . H H -0.425 6.540 -2.100 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 8 . 2147 . 1 1 13 . HB2 H -2.858 5.515 -1.848 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2148 . 1 1 13 . HB3 H -2.228 4.612 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2149 . 1 1 13 . HCA H -2.356 7.542 -0.047 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 8 . 2150 . 1 1 13 . HD2 H -4.602 3.678 -0.811 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 8 . 2151 . 1 1 13 . HD3 H -4.059 3.712 0.873 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 8 . 2152 . 1 1 13 . HE2 H -6.292 3.511 1.289 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 8 . 2153 . 1 1 13 . HE3 H -6.258 5.267 1.102 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 8 . 2154 . 1 1 13 . HG2 H -3.959 6.127 0.871 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2155 . 1 1 13 . HG3 H -4.740 6.210 -0.716 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 2156 . 1 1 13 . HH31 H -9.737 6.067 -0.520 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 8 . 2157 . 1 1 13 . HH32 H -9.065 5.000 0.736 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 8 . 2158 . 1 1 13 . HH33 H -8.457 6.664 0.562 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 8 . 2159 . 1 1 13 . HZ H -6.551 3.950 -1.386 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 8 . 2160 . 1 1 13 . N N -1.061 7.169 -1.632 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 8 . 2161 . 1 1 13 . NZ N -7.049 4.217 -0.548 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 8 . 2162 . 1 1 13 . O O 0.427 6.533 0.535 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 8 . 2163 . 1 1 13 . OH O -7.553 5.843 -2.082 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 8 . 2164 . 1 1 14 GLN C C -0.264 3.720 2.770 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 8 . 2165 . 1 1 14 GLN CA C -0.462 5.232 2.815 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 8 . 2166 . 1 1 14 GLN CB C -1.092 5.636 4.150 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 8 . 2167 . 1 1 14 GLN CD C -1.531 7.601 5.676 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 8 . 2168 . 1 1 14 GLN CG C -1.421 7.117 4.244 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 8 . 2169 . 1 1 14 GLN H H -2.263 5.523 1.739 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 8 . 2170 . 1 1 14 GLN HA H 0.500 5.712 2.722 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 8 . 2171 . 1 1 14 GLN HB2 H -2.006 5.076 4.287 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2172 . 1 1 14 GLN HB3 H -0.405 5.391 4.947 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2173 . 1 1 14 GLN HE21 H 0.071 8.753 5.436 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 8 . 2174 . 1 1 14 GLN HE22 H -0.663 8.803 6.999 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 8 . 2175 . 1 1 14 GLN HG2 H -0.642 7.678 3.750 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 8 . 2176 . 1 1 14 GLN HG3 H -2.362 7.295 3.745 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 8 . 2177 . 1 1 14 GLN N N -1.296 5.680 1.706 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 8 . 2178 . 1 1 14 GLN NE2 N -0.615 8.473 6.078 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 8 . 2179 . 1 1 14 GLN O O -0.991 2.969 3.419 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 8 . 2180 . 1 1 14 GLN OE1 O -2.431 7.194 6.413 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 8 . 2181 . 1 1 15 CYS C C 1.179 1.208 3.240 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 8 . 2182 . 1 1 15 CYS CA C 1.021 1.860 1.869 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 8 . 2183 . 1 1 15 CYS CB C 2.294 1.655 1.046 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 8 . 2184 . 1 1 15 CYS H H 1.272 3.930 1.507 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 8 . 2185 . 1 1 15 CYS HA H 0.193 1.395 1.356 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 8 . 2186 . 1 1 15 CYS HB2 H 2.440 2.512 0.403 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 8 . 2187 . 1 1 15 CYS HB3 H 3.136 1.567 1.715 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 8 . 2188 . 1 1 15 CYS N N 0.726 3.282 2.000 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 8 . 2189 . 1 1 15 CYS O O 1.293 1.896 4.255 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 8 . 2190 . 1 1 15 CYS SG S 2.267 0.172 -0.010 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 8 . 2191 . 1 1 16 NH2 HN1 H 2.052 -0.582 3.105 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 8 . 2192 . 1 1 16 NH2 N N 1.192 -0.078 3.336 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 9 . 2193 . 1 1 1 ACE C C 1.533 1.012 -2.193 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 9 . 2194 . 1 1 1 ACE CH3 C 2.130 0.064 -1.171 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 9 . 2195 . 1 1 1 ACE H1 H 3.141 -0.137 -1.523 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 9 . 2196 . 1 1 1 ACE H2 H 1.351 -0.698 -1.149 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 9 . 2197 . 1 1 1 ACE O O 0.325 1.003 -2.428 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 9 . 2198 . 1 1 2 TRP C C 2.014 2.195 -5.205 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 9 . 2199 . 1 1 2 TRP CA C 1.931 2.791 -3.804 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 9 . 2200 . 1 1 2 TRP CB C 2.770 4.068 -3.730 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 9 . 2201 . 1 1 2 TRP CD1 C 2.062 4.736 -1.359 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 9 . 2202 . 1 1 2 TRP CD2 C 4.263 4.891 -1.741 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2203 . 1 1 2 TRP CE2 C 4.009 5.284 -0.412 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2204 . 1 1 2 TRP CE3 C 5.580 4.908 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2205 . 1 1 2 TRP CG C 3.005 4.544 -2.328 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 9 . 2206 . 1 1 2 TRP CH2 C 6.303 5.694 -0.030 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 9 . 2207 . 1 1 2 TRP CZ2 C 5.022 5.687 0.452 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 9 . 2208 . 1 1 2 TRP CZ3 C 6.586 5.309 -1.347 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 9 . 2209 . 1 1 2 TRP H H 3.334 1.791 -2.573 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 9 . 2210 . 1 1 2 TRP HA H 0.901 3.034 -3.589 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 9 . 2211 . 1 1 2 TRP HB2 H 3.732 3.888 -4.186 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2212 . 1 1 2 TRP HB3 H 2.263 4.855 -4.270 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2213 . 1 1 2 TRP HD1 H 1.006 4.560 -1.495 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 9 . 2214 . 1 1 2 TRP HE1 H 2.192 5.388 0.633 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 9 . 2215 . 1 1 2 TRP HE3 H 5.818 4.616 -3.218 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2216 . 1 1 2 TRP HH2 H 7.120 6.000 0.606 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 9 . 2217 . 1 1 2 TRP HZ2 H 4.820 5.987 1.470 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 9 . 2218 . 1 1 2 TRP HZ3 H 7.610 5.329 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 9 . 2219 . 1 1 2 TRP N N 2.382 1.832 -2.802 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 9 . 2220 . 1 1 2 TRP NE1 N 2.659 5.180 -0.204 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 9 . 2221 . 1 1 2 TRP O O 2.239 0.996 -5.368 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 9 . 2222 . 1 1 3 LYS C C 3.261 2.864 -8.205 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 9 . 2223 . 1 1 3 LYS CA C 1.885 2.596 -7.603 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 9 . 2224 . 1 1 3 LYS CB C 0.809 3.304 -8.428 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 9 . 2225 . 1 1 3 LYS CD C -0.706 2.464 -10.247 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 9 . 2226 . 1 1 3 LYS CE C -0.747 1.462 -11.391 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 9 . 2227 . 1 1 3 LYS CG C 0.721 2.813 -9.863 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 9 . 2228 . 1 1 3 LYS H H 1.655 3.984 -6.021 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 9 . 2229 . 1 1 3 LYS HA H 1.699 1.533 -7.619 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 9 . 2230 . 1 1 3 LYS HB2 H -0.150 3.147 -7.957 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2231 . 1 1 3 LYS HB3 H 1.023 4.363 -8.445 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2232 . 1 1 3 LYS HD2 H -1.206 2.036 -9.390 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2233 . 1 1 3 LYS HD3 H -1.219 3.366 -10.552 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 9 . 2234 . 1 1 3 LYS HE2 H 0.117 1.616 -12.019 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2235 . 1 1 3 LYS HE3 H -0.718 0.464 -10.979 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2236 . 1 1 3 LYS HG2 H 1.081 3.589 -10.522 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2237 . 1 1 3 LYS HG3 H 1.339 1.931 -9.970 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2238 . 1 1 3 LYS HZ1 H -1.790 2.225 -13.032 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 9 . 2239 . 1 1 3 LYS HZ2 H -2.292 0.680 -12.559 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 9 . 2240 . 1 1 3 LYS HZ3 H -2.740 2.032 -11.645 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 9 . 2241 . 1 1 3 LYS N N 1.830 3.039 -6.214 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 9 . 2242 . 1 1 3 LYS NZ N -1.979 1.610 -12.214 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 9 . 2243 . 1 1 3 LYS O O 3.939 3.822 -7.830 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 9 . 2244 . 1 1 4 THR C C 4.820 2.101 -11.313 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 9 . 2245 . 1 1 4 THR CA C 4.962 2.158 -9.796 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 9 . 2246 . 1 1 4 THR CB C 5.947 1.063 -9.343 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 9 . 2247 . 1 1 4 THR CG2 C 7.359 1.380 -9.810 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2248 . 1 1 4 THR H H 3.083 1.269 -9.398 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 9 . 2249 . 1 1 4 THR HA H 5.370 3.118 -9.519 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 9 . 2250 . 1 1 4 THR HB H 5.641 0.122 -9.778 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 9 . 2251 . 1 1 4 THR HG1 H 6.105 1.804 -7.521 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2252 . 1 1 4 THR HG21 H 7.360 2.317 -10.346 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 9 . 2253 . 1 1 4 THR HG22 H 8.014 1.454 -8.953 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 9 . 2254 . 1 1 4 THR HG23 H 7.708 0.592 -10.462 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 9 . 2255 . 1 1 4 THR N N 3.668 2.013 -9.142 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 9 . 2256 . 1 1 4 THR O O 4.293 1.131 -11.861 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 9 . 2257 . 1 1 4 THR OG1 O 5.925 0.946 -7.916 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2258 . 1 1 5 ILE C C 6.434 3.933 -14.018 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 9 . 2259 . 1 1 5 ILE CA C 5.222 3.210 -13.441 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 9 . 2260 . 1 1 5 ILE CB C 3.940 3.925 -13.908 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 9 . 2261 . 1 1 5 ILE CD1 C 1.411 3.972 -13.630 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 9 . 2262 . 1 1 5 ILE CG1 C 2.712 3.310 -13.234 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2263 . 1 1 5 ILE CG2 C 3.814 3.849 -15.422 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2264 . 1 1 5 ILE H H 5.703 3.885 -11.494 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 9 . 2265 . 1 1 5 ILE HA H 5.205 2.199 -13.819 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 9 . 2266 . 1 1 5 ILE HB H 4.013 4.965 -13.628 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 9 . 2267 . 1 1 5 ILE HD11 H 0.630 3.670 -12.947 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 9 . 2268 . 1 1 5 ILE HD12 H 1.526 5.045 -13.594 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 9 . 2269 . 1 1 5 ILE HD13 H 1.146 3.672 -14.633 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 9 . 2270 . 1 1 5 ILE HG12 H 2.648 2.267 -13.499 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 9 . 2271 . 1 1 5 ILE HG13 H 2.817 3.399 -12.162 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 9 . 2272 . 1 1 5 ILE HG21 H 3.716 4.847 -15.826 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 9 . 2273 . 1 1 5 ILE HG22 H 4.695 3.380 -15.834 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 9 . 2274 . 1 1 5 ILE HG23 H 2.941 3.269 -15.681 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 9 . 2275 . 1 1 5 ILE N N 5.294 3.144 -11.986 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 9 . 2276 . 1 1 5 ILE O O 6.794 5.021 -13.568 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 9 . 2277 . 1 1 6 . C C 9.348 4.143 -14.659 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 9 . 2278 . 1 1 6 . CA C 8.228 3.905 -15.664 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 9 . 2279 . 1 1 6 . CB C 7.859 5.216 -16.360 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 9 . 2280 . 1 1 6 . CD C 6.077 6.446 -17.637 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 9 . 2281 . 1 1 6 . CE C 5.198 6.882 -16.475 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 9 . 2282 . 1 1 6 . CG C 6.723 5.095 -17.367 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 9 . 2283 . 1 1 6 . CH C 5.470 8.469 -14.577 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 9 . 2284 . 1 1 6 . CH3 C 4.234 9.248 -14.195 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 9 . 2285 . 1 1 6 . H H 6.712 2.429 -15.345 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 9 . 2286 . 1 1 6 . HB2 H 7.568 5.955 -15.614 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2287 . 1 1 6 . HB3 H 8.732 5.607 -16.885 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2288 . 1 1 6 . HCA H 8.597 3.204 -16.414 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 9 . 2289 . 1 1 6 . HD2 H 6.854 7.195 -17.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2290 . 1 1 6 . HD3 H 5.468 6.385 -18.538 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 9 . 2291 . 1 1 6 . HE2 H 4.165 6.962 -16.809 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2292 . 1 1 6 . HE3 H 5.242 6.133 -15.683 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2293 . 1 1 6 . HG2 H 7.109 4.692 -18.305 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2294 . 1 1 6 . HG3 H 5.967 4.411 -16.981 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2295 . 1 1 6 . HH31 H 4.522 10.140 -13.639 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 9 . 2296 . 1 1 6 . HH32 H 3.696 9.540 -15.097 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 9 . 2297 . 1 1 6 . HH33 H 3.591 8.626 -13.574 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 9 . 2298 . 1 1 6 . HZ H 6.614 8.321 -16.070 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 9 . 2299 . 1 1 6 . N N 7.058 3.322 -15.020 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 9 . 2300 . 1 1 6 . NZ N 5.624 8.194 -15.916 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 9 . 2301 . 1 1 6 . O O 10.090 5.119 -14.759 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 9 . 2302 . 1 1 6 . OH O 6.352 8.066 -13.746 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 9 . 2303 . 1 1 7 GLY C C 10.495 4.736 -12.016 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 9 . 2304 . 1 1 7 GLY CA C 10.499 3.372 -12.677 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 9 . 2305 . 1 1 7 GLY H H 8.845 2.483 -13.657 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 9 . 2306 . 1 1 7 GLY HA2 H 10.344 2.617 -11.920 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 9 . 2307 . 1 1 7 GLY HA3 H 11.461 3.211 -13.140 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 9 . 2308 . 1 1 7 GLY N N 9.466 3.242 -13.687 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 9 . 2309 . 1 1 7 GLY O O 11.502 5.445 -12.035 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 9 . 2310 . 1 1 8 . C C 8.246 6.315 -9.603 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 9 . 2311 . 1 1 8 . CA C 9.228 6.395 -10.764 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 9 . 2312 . 1 1 8 . CB C 8.781 7.470 -11.758 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 9 . 2313 . 1 1 8 . CD C 10.607 8.483 -13.157 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 9 . 2314 . 1 1 8 . CE C 9.885 9.013 -14.386 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 9 . 2315 . 1 1 8 . CG C 9.754 8.632 -11.905 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 9 . 2316 . 1 1 8 . CH C 9.131 11.178 -15.356 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 9 . 2317 . 1 1 8 . CH3 C 9.867 12.033 -16.359 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 9 . 2318 . 1 1 8 . H H 8.569 4.478 -11.452 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 9 . 2319 . 1 1 8 . HB2 H 8.643 7.023 -12.741 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2320 . 1 1 8 . HB3 H 7.818 7.877 -11.445 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2321 . 1 1 8 . HCA H 10.201 6.678 -10.359 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 9 . 2322 . 1 1 8 . HD2 H 11.541 9.031 -13.028 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2323 . 1 1 8 . HD3 H 10.844 7.431 -13.312 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 9 . 2324 . 1 1 8 . HE2 H 10.354 8.617 -15.284 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2325 . 1 1 8 . HE3 H 8.846 8.681 -14.369 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2326 . 1 1 8 . HG2 H 9.197 9.569 -11.965 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2327 . 1 1 8 . HG3 H 10.407 8.672 -11.034 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2328 . 1 1 8 . HH31 H 9.171 12.382 -17.121 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 9 . 2329 . 1 1 8 . HH32 H 10.306 12.892 -15.848 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 9 . 2330 . 1 1 8 . HH33 H 10.656 11.447 -16.827 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 9 . 2331 . 1 1 8 . HZ H 9.620 10.880 -13.558 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 9 . 2332 . 1 1 8 . N N 9.360 5.106 -11.433 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 9 . 2333 . 1 1 8 . NZ N 9.910 10.501 -14.448 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 9 . 2334 . 1 1 8 . O O 7.303 5.522 -9.625 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 9 . 2335 . 1 1 8 . OH O 7.861 11.055 -15.311 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 9 . 2336 . 1 1 9 THR C C 6.789 8.449 -7.357 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 9 . 2337 . 1 1 9 THR CA C 7.606 7.164 -7.413 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 9 . 2338 . 1 1 9 THR CB C 8.420 7.029 -6.113 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 9 . 2339 . 1 1 9 THR CG2 C 7.810 5.977 -5.200 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2340 . 1 1 9 THR H H 9.238 7.750 -8.628 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 9 . 2341 . 1 1 9 THR HA H 6.931 6.323 -7.480 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 9 . 2342 . 1 1 9 THR HB H 8.409 7.980 -5.599 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 9 . 2343 . 1 1 9 THR HG1 H 9.859 5.721 -6.445 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2344 . 1 1 9 THR HG21 H 6.766 5.848 -5.444 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 9 . 2345 . 1 1 9 THR HG22 H 8.329 5.039 -5.333 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 9 . 2346 . 1 1 9 THR HG23 H 7.902 6.295 -4.172 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 9 . 2347 . 1 1 9 THR N N 8.470 7.142 -8.586 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 9 . 2348 . 1 1 9 THR O O 6.863 9.283 -8.260 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 9 . 2349 . 1 1 9 THR OG1 O 9.774 6.678 -6.417 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2350 . 1 1 10 TRP C C 4.414 9.730 -4.802 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 9 . 2351 . 1 1 10 TRP CA C 5.181 9.790 -6.117 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 9 . 2352 . 1 1 10 TRP CB C 4.202 9.929 -7.285 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 9 . 2353 . 1 1 10 TRP CD1 C 2.591 7.955 -7.009 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 9 . 2354 . 1 1 10 TRP CD2 C 3.864 7.854 -8.850 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2355 . 1 1 10 TRP CE2 C 3.030 6.720 -8.818 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2356 . 1 1 10 TRP CE3 C 4.751 8.007 -9.918 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2357 . 1 1 10 TRP CG C 3.567 8.632 -7.685 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 9 . 2358 . 1 1 10 TRP CH2 C 3.938 5.921 -10.847 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 9 . 2359 . 1 1 10 TRP CZ2 C 3.060 5.746 -9.812 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 9 . 2360 . 1 1 10 TRP CZ3 C 4.780 7.040 -10.905 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 9 . 2361 . 1 1 10 TRP H H 5.995 7.904 -5.605 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 9 . 2362 . 1 1 10 TRP HA H 5.832 10.651 -6.102 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 9 . 2363 . 1 1 10 TRP HB2 H 3.415 10.614 -7.009 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2364 . 1 1 10 TRP HB3 H 4.731 10.319 -8.143 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2365 . 1 1 10 TRP HD1 H 2.153 8.287 -6.081 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 9 . 2366 . 1 1 10 TRP HE1 H 1.590 6.151 -7.402 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 9 . 2367 . 1 1 10 TRP HE3 H 5.408 8.864 -9.981 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2368 . 1 1 10 TRP HH2 H 3.995 5.190 -11.638 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 9 . 2369 . 1 1 10 TRP HZ2 H 2.417 4.878 -9.782 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 9 . 2370 . 1 1 10 TRP HZ3 H 5.460 7.141 -11.738 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 9 . 2371 . 1 1 10 TRP N N 6.011 8.604 -6.291 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 9 . 2372 . 1 1 10 TRP NE1 N 2.264 6.804 -7.685 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 9 . 2373 . 1 1 10 TRP O O 4.183 10.755 -4.159 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 9 . 2374 . 1 1 11 ARG C C 1.922 9.021 -3.230 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 9 . 2375 . 1 1 11 ARG CA C 3.281 8.331 -3.164 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 9 . 2376 . 1 1 11 ARG CB C 4.082 8.871 -1.977 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 9 . 2377 . 1 1 11 ARG CD C 2.751 9.565 0.038 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 9 . 2378 . 1 1 11 ARG CG C 3.532 8.442 -0.626 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 9 . 2379 . 1 1 11 ARG CZ C 3.243 11.597 1.330 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 9 . 2380 . 1 1 11 ARG H H 4.238 7.744 -4.958 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 9 . 2381 . 1 1 11 ARG HA H 3.128 7.271 -3.030 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 9 . 2382 . 1 1 11 ARG HB2 H 5.100 8.519 -2.054 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2383 . 1 1 11 ARG HB3 H 4.078 9.949 -2.017 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2384 . 1 1 11 ARG HD2 H 2.308 10.180 -0.730 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2385 . 1 1 11 ARG HD3 H 1.971 9.131 0.646 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 9 . 2386 . 1 1 11 ARG HE H 4.482 10.047 1.128 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 9 . 2387 . 1 1 11 ARG HG2 H 2.876 7.595 -0.767 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2388 . 1 1 11 ARG HG3 H 4.355 8.160 0.014 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2389 . 1 1 11 ARG HH11 H 1.430 11.574 0.439 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 9 . 2390 . 1 1 11 ARG HH12 H 1.790 13.002 1.352 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 9 . 2391 . 1 1 11 ARG HH21 H 4.967 11.921 2.334 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 9 . 2392 . 1 1 11 ARG HH22 H 3.803 13.199 2.429 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 9 . 2393 . 1 1 11 ARG N N 4.024 8.524 -4.404 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 9 . 2394 . 1 1 11 ARG NE N 3.601 10.398 0.883 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 9 . 2395 . 1 1 11 ARG NH1 N 2.057 12.100 1.014 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 9 . 2396 . 1 1 11 ARG NH2 N 4.073 12.297 2.094 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 9 . 2397 . 1 1 11 ARG O O 1.833 10.248 -3.174 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 9 . 2398 . 1 1 12 THR C C -1.275 8.442 -2.158 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 9 . 2399 . 1 1 12 THR CA C -0.489 8.757 -3.425 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 9 . 2400 . 1 1 12 THR CB C -1.248 8.191 -4.640 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 9 . 2401 . 1 1 12 THR CG2 C -1.100 6.679 -4.716 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2402 . 1 1 12 THR H H 1.000 7.254 -3.389 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 9 . 2403 . 1 1 12 THR HA H -0.420 9.829 -3.538 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 9 . 2404 . 1 1 12 THR HB H -0.833 8.625 -5.539 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 9 . 2405 . 1 1 12 THR HG1 H -2.727 9.490 -4.501 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2406 . 1 1 12 THR HG21 H -1.632 6.307 -5.579 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 9 . 2407 . 1 1 12 THR HG22 H -0.053 6.424 -4.801 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 9 . 2408 . 1 1 12 THR HG23 H -1.507 6.232 -3.821 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 9 . 2409 . 1 1 12 THR N N 0.865 8.223 -3.349 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 9 . 2410 . 1 1 12 THR O O -2.042 9.273 -1.668 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 9 . 2411 . 1 1 12 THR OG1 O -2.636 8.535 -4.555 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 9 . 2412 . 1 1 13 . C C -0.782 6.392 0.659 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 9 . 2413 . 1 1 13 . CA C -1.771 6.812 -0.419 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 9 . 2414 . 1 1 13 . CB C -2.734 5.663 -0.726 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 9 . 2415 . 1 1 13 . CD C -2.588 3.869 -2.481 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 9 . 2416 . 1 1 13 . CE C -2.501 2.354 -2.582 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 9 . 2417 . 1 1 13 . CG C -2.052 4.367 -1.147 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 9 . 2418 . 1 1 13 . CH C -4.009 1.352 -4.291 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 9 . 2419 . 1 1 13 . CH3 C -4.048 2.452 -5.323 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 9 . 2420 . 1 1 13 . H H -0.439 6.601 -2.080 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 9 . 2421 . 1 1 13 . HB2 H -3.340 5.450 0.155 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2422 . 1 1 13 . HB3 H -3.411 5.961 -1.527 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2423 . 1 1 13 . HCA H -2.347 7.655 -0.034 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 9 . 2424 . 1 1 13 . HD2 H -3.629 4.174 -2.591 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 9 . 2425 . 1 1 13 . HD3 H -2.011 4.312 -3.293 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 9 . 2426 . 1 1 13 . HE2 H -1.740 2.081 -3.313 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2427 . 1 1 13 . HE3 H -2.210 1.941 -1.615 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 9 . 2428 . 1 1 13 . HG2 H -0.977 4.534 -1.237 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2429 . 1 1 13 . HG3 H -2.222 3.604 -0.389 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2430 . 1 1 13 . HH31 H -4.574 3.317 -4.916 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 9 . 2431 . 1 1 13 . HH32 H -3.030 2.739 -5.587 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 9 . 2432 . 1 1 13 . HH33 H -4.568 2.098 -6.213 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 9 . 2433 . 1 1 13 . HZ H -3.959 0.905 -2.458 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 9 . 2434 . 1 1 13 . N N -1.081 7.237 -1.630 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 9 . 2435 . 1 1 13 . NZ N -3.798 1.748 -2.991 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 9 . 2436 . 1 1 13 . O O 0.423 6.603 0.525 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 9 . 2437 . 1 1 13 . OH O -4.157 0.112 -4.554 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 9 . 2438 . 1 1 14 GLN C C -0.282 3.832 2.803 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 9 . 2439 . 1 1 14 GLN CA C -0.458 5.348 2.834 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 9 . 2440 . 1 1 14 GLN CB C -1.065 5.774 4.171 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 9 . 2441 . 1 1 14 GLN CD C -1.116 7.490 6.025 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 9 . 2442 . 1 1 14 GLN CG C -0.426 7.022 4.759 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 9 . 2443 . 1 1 14 GLN H H -2.266 5.657 1.778 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 9 . 2444 . 1 1 14 GLN HA H 0.510 5.812 2.724 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 9 . 2445 . 1 1 14 GLN HB2 H -2.118 5.968 4.030 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2446 . 1 1 14 GLN HB3 H -0.947 4.968 4.881 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2447 . 1 1 14 GLN HE21 H -1.873 9.057 5.063 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 9 . 2448 . 1 1 14 GLN HE22 H -2.288 8.930 6.736 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 9 . 2449 . 1 1 14 GLN HG2 H 0.608 6.808 4.988 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 9 . 2450 . 1 1 14 GLN HG3 H -0.474 7.814 4.026 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 9 . 2451 . 1 1 14 GLN N N -1.298 5.796 1.730 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 9 . 2452 . 1 1 14 GLN NE2 N -1.831 8.606 5.932 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 9 . 2453 . 1 1 14 GLN O O -1.042 3.095 3.431 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 9 . 2454 . 1 1 14 GLN OE1 O -1.006 6.857 7.075 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 9 . 2455 . 1 1 15 CYS C C 1.104 1.301 3.331 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 9 . 2456 . 1 1 15 CYS CA C 1.001 1.948 1.952 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 9 . 2457 . 1 1 15 CYS CB C 2.297 1.718 1.172 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 9 . 2458 . 1 1 15 CYS H H 1.297 4.012 1.588 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 9 . 2459 . 1 1 15 CYS HA H 0.182 1.492 1.415 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 9 . 2460 . 1 1 15 CYS HB2 H 2.506 2.594 0.574 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 9 . 2461 . 1 1 15 CYS HB3 H 3.106 1.563 1.869 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 9 . 2462 . 1 1 15 CYS N N 0.725 3.374 2.066 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 9 . 2463 . 1 1 15 CYS O O 1.761 0.273 3.496 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 9 . 2464 . 1 1 15 CYS SG S 2.246 0.283 0.052 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 9 . 2465 . 1 1 16 NH2 HN1 H -0.518 1.727 4.415 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 9 . 2466 . 1 1 16 NH2 N N 0.496 1.838 4.334 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 10 . 2467 . 1 1 1 ACE C C 1.496 0.956 -2.265 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 10 . 2468 . 1 1 1 ACE CH3 C 2.080 -0.004 -1.248 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 10 . 2469 . 1 1 1 ACE H1 H 3.079 -0.229 -1.619 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 10 . 2470 . 1 1 1 ACE H2 H 1.266 -0.728 -1.211 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 10 . 2471 . 1 1 1 ACE O O 0.292 0.942 -2.522 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 10 . 2472 . 1 1 2 TRP C C 1.986 2.180 -5.244 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 10 . 2473 . 1 1 2 TRP CA C 1.911 2.766 -3.838 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 10 . 2474 . 1 1 2 TRP CB C 2.763 4.031 -3.754 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 10 . 2475 . 1 1 2 TRP CD1 C 2.051 4.695 -1.384 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 10 . 2476 . 1 1 2 TRP CD2 C 4.256 4.829 -1.753 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2477 . 1 1 2 TRP CE2 C 3.998 5.217 -0.424 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2478 . 1 1 2 TRP CE3 C 5.575 4.833 -2.212 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2479 . 1 1 2 TRP CG C 2.996 4.498 -2.349 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 10 . 2480 . 1 1 2 TRP CH2 C 6.296 5.600 -0.029 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 10 . 2481 . 1 1 2 TRP CZ2 C 5.013 5.605 0.448 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 10 . 2482 . 1 1 2 TRP CZ3 C 6.581 5.218 -1.347 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 10 . 2483 . 1 1 2 TRP H H 3.298 1.755 -2.599 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 10 . 2484 . 1 1 2 TRP HA H 0.883 3.019 -3.622 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 10 . 2485 . 1 1 2 TRP HB2 H 3.725 3.841 -4.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2486 . 1 1 2 TRP HB3 H 2.268 4.827 -4.293 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2487 . 1 1 2 TRP HD1 H 0.994 4.532 -1.526 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 10 . 2488 . 1 1 2 TRP HE1 H 2.179 5.336 0.613 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 10 . 2489 . 1 1 2 TRP HE3 H 5.816 4.542 -3.225 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2490 . 1 1 2 TRP HH2 H 7.112 5.893 0.612 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 10 . 2491 . 1 1 2 TRP HZ2 H 4.809 5.901 1.466 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 10 . 2492 . 1 1 2 TRP HZ3 H 7.607 5.228 -1.684 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 10 . 2493 . 1 1 2 TRP N N 2.349 1.792 -2.845 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 10 . 2494 . 1 1 2 TRP NE1 N 2.646 5.127 -0.223 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 10 . 2495 . 1 1 2 TRP O O 2.198 0.979 -5.417 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 10 . 2496 . 1 1 3 LYS C C 3.239 2.864 -8.241 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 10 . 2497 . 1 1 3 LYS CA C 1.862 2.602 -7.638 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 10 . 2498 . 1 1 3 LYS CB C 0.791 3.325 -8.458 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 10 . 2499 . 1 1 3 LYS CD C -0.723 2.506 -10.287 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 10 . 2500 . 1 1 3 LYS CE C -0.765 1.398 -11.328 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 10 . 2501 . 1 1 3 LYS CG C 0.703 2.851 -9.898 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 10 . 2502 . 1 1 3 LYS H H 1.647 3.980 -6.046 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 10 . 2503 . 1 1 3 LYS HA H 1.668 1.540 -7.663 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 10 . 2504 . 1 1 3 LYS HB2 H -0.170 3.166 -7.990 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2505 . 1 1 3 LYS HB3 H 1.009 4.383 -8.460 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2506 . 1 1 3 LYS HD2 H -1.258 2.179 -9.408 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2507 . 1 1 3 LYS HD3 H -1.200 3.388 -10.692 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 10 . 2508 . 1 1 3 LYS HE2 H -0.376 1.782 -12.259 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2509 . 1 1 3 LYS HE3 H -0.147 0.580 -10.989 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2510 . 1 1 3 LYS HG2 H 1.063 3.636 -10.547 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2511 . 1 1 3 LYS HG3 H 1.323 1.973 -10.017 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2512 . 1 1 3 LYS HZ1 H -2.506 1.230 -12.471 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 10 . 2513 . 1 1 3 LYS HZ2 H -2.160 -0.142 -11.542 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 10 . 2514 . 1 1 3 LYS HZ3 H -2.781 1.248 -10.801 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 10 . 2515 . 1 1 3 LYS N N 1.813 3.034 -6.247 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 10 . 2516 . 1 1 3 LYS NZ N -2.150 0.898 -11.552 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 10 . 2517 . 1 1 3 LYS O O 3.924 3.815 -7.862 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 10 . 2518 . 1 1 4 THR C C 4.791 2.115 -11.354 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 10 . 2519 . 1 1 4 THR CA C 4.935 2.155 -9.836 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 10 . 2520 . 1 1 4 THR CB C 5.910 1.048 -9.395 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 10 . 2521 . 1 1 4 THR CG2 C 7.324 1.354 -9.865 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2522 . 1 1 4 THR H H 3.050 1.277 -9.441 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 10 . 2523 . 1 1 4 THR HA H 5.352 3.109 -9.549 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 10 . 2524 . 1 1 4 THR HB H 5.594 0.113 -9.837 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 10 . 2525 . 1 1 4 THR HG1 H 5.843 -0.010 -7.732 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2526 . 1 1 4 THR HG21 H 7.534 0.796 -10.764 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 10 . 2527 . 1 1 4 THR HG22 H 7.416 2.410 -10.066 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 10 . 2528 . 1 1 4 THR HG23 H 8.028 1.073 -9.094 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 10 . 2529 . 1 1 4 THR N N 3.640 2.015 -9.182 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 10 . 2530 . 1 1 4 THR O O 4.270 1.149 -11.911 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 10 . 2531 . 1 1 4 THR OG1 O 5.892 0.920 -7.969 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2532 . 1 1 5 ILE C C 6.393 3.979 -14.041 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 10 . 2533 . 1 1 5 ILE CA C 5.181 3.252 -13.469 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 10 . 2534 . 1 1 5 ILE CB C 3.901 3.974 -13.926 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 10 . 2535 . 1 1 5 ILE CD1 C 1.378 4.060 -13.595 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 10 . 2536 . 1 1 5 ILE CG1 C 2.675 3.368 -13.238 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2537 . 1 1 5 ILE CG2 C 3.758 3.895 -15.439 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2538 . 1 1 5 ILE H H 5.661 3.907 -11.514 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 10 . 2539 . 1 1 5 ILE HA H 5.162 2.245 -13.859 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 10 . 2540 . 1 1 5 ILE HB H 3.981 5.014 -13.649 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 10 . 2541 . 1 1 5 ILE HD11 H 1.564 5.112 -13.758 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 10 . 2542 . 1 1 5 ILE HD12 H 0.973 3.623 -14.495 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 10 . 2543 . 1 1 5 ILE HD13 H 0.671 3.940 -12.788 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 10 . 2544 . 1 1 5 ILE HG12 H 2.586 2.332 -13.522 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 10 . 2545 . 1 1 5 ILE HG13 H 2.803 3.435 -12.167 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 10 . 2546 . 1 1 5 ILE HG21 H 4.620 3.393 -15.855 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 10 . 2547 . 1 1 5 ILE HG22 H 2.865 3.344 -15.688 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 10 . 2548 . 1 1 5 ILE HG23 H 3.691 4.893 -15.846 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 10 . 2549 . 1 1 5 ILE N N 5.257 3.169 -12.015 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 10 . 2550 . 1 1 5 ILE O O 6.701 5.103 -13.643 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 10 . 2551 . 1 1 6 . C C 9.367 4.142 -14.595 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 10 . 2552 . 1 1 6 . CA C 8.254 3.915 -15.610 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 10 . 2553 . 1 1 6 . CB C 7.895 5.232 -16.301 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 10 . 2554 . 1 1 6 . CD C 6.091 6.495 -17.511 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 10 . 2555 . 1 1 6 . CE C 5.241 6.924 -16.324 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 10 . 2556 . 1 1 6 . CG C 6.727 5.134 -17.273 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 10 . 2557 . 1 1 6 . CH C 5.921 8.812 -14.851 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 10 . 2558 . 1 1 6 . CH3 C 5.555 10.211 -14.422 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 10 . 2559 . 1 1 6 . H H 6.772 2.411 -15.262 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 10 . 2560 . 1 1 6 . HB2 H 7.643 5.981 -15.549 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2561 . 1 1 6 . HB3 H 8.761 5.602 -16.852 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2562 . 1 1 6 . HCA H 8.626 3.218 -16.362 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 10 . 2563 . 1 1 6 . HD2 H 6.871 7.237 -17.678 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2564 . 1 1 6 . HD3 H 5.460 6.451 -18.399 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 10 . 2565 . 1 1 6 . HE2 H 4.194 6.705 -16.526 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2566 . 1 1 6 . HE3 H 5.543 6.364 -15.439 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2567 . 1 1 6 . HG2 H 7.079 4.735 -18.226 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2568 . 1 1 6 . HG3 H 5.976 4.456 -16.871 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2569 . 1 1 6 . HH31 H 6.460 10.808 -14.307 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 10 . 2570 . 1 1 6 . HH32 H 4.913 10.666 -15.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 10 . 2571 . 1 1 6 . HH33 H 5.024 10.173 -13.471 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 10 . 2572 . 1 1 6 . HZ H 5.972 8.806 -16.737 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 10 . 2573 . 1 1 6 . N N 7.077 3.332 -14.979 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 10 . 2574 . 1 1 6 . NZ N 5.381 8.379 -16.038 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 10 . 2575 . 1 1 6 . O O 10.114 5.116 -14.684 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 10 . 2576 . 1 1 6 . OH O 6.687 8.033 -14.188 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 10 . 2577 . 1 1 7 GLY C C 10.498 4.716 -11.941 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 10 . 2578 . 1 1 7 GLY CA C 10.499 3.355 -12.608 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 10 . 2579 . 1 1 7 GLY H H 8.849 2.480 -13.607 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 10 . 2580 . 1 1 7 GLY HA2 H 10.335 2.598 -11.857 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 10 . 2581 . 1 1 7 GLY HA3 H 11.464 3.193 -13.064 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 10 . 2582 . 1 1 7 GLY N N 9.474 3.236 -13.628 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 10 . 2583 . 1 1 7 GLY O O 11.532 5.379 -11.865 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 10 . 2584 . 1 1 8 . C C 8.208 6.352 -9.639 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 10 . 2585 . 1 1 8 . CA C 9.197 6.426 -10.795 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 10 . 2586 . 1 1 8 . CB C 8.760 7.499 -11.795 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 10 . 2587 . 1 1 8 . CD C 10.780 8.266 -13.079 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 10 . 2588 . 1 1 8 . CE C 10.506 9.034 -14.362 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 10 . 2589 . 1 1 8 . CG C 9.771 8.620 -11.996 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 10 . 2590 . 1 1 8 . CH C 12.698 10.206 -14.494 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 10 . 2591 . 1 1 8 . CH3 C 14.056 10.244 -15.151 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 10 . 2592 . 1 1 8 . H H 8.519 4.543 -11.551 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 10 . 2593 . 1 1 8 . HB2 H 8.574 7.038 -12.764 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2594 . 1 1 8 . HB3 H 7.825 7.948 -11.460 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2595 . 1 1 8 . HCA H 10.168 6.708 -10.384 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 10 . 2596 . 1 1 8 . HD2 H 11.786 8.503 -12.730 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2597 . 1 1 8 . HD3 H 10.730 7.197 -13.287 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 10 . 2598 . 1 1 8 . HE2 H 9.883 8.432 -15.022 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2599 . 1 1 8 . HE3 H 9.968 9.953 -14.130 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2600 . 1 1 8 . HG2 H 9.249 9.534 -12.282 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2601 . 1 1 8 . HG3 H 10.303 8.802 -11.062 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2602 . 1 1 8 . HH31 H 14.329 9.241 -15.482 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 10 . 2603 . 1 1 8 . HH32 H 14.026 10.914 -16.011 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 10 . 2604 . 1 1 8 . HH33 H 14.795 10.603 -14.437 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 10 . 2605 . 1 1 8 . HZ H 12.282 8.543 -15.283 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 10 . 2606 . 1 1 8 . N N 9.332 5.135 -11.457 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 10 . 2607 . 1 1 8 . NZ N 11.762 9.385 -15.080 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 10 . 2608 . 1 1 8 . O O 7.213 5.628 -9.704 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 10 . 2609 . 1 1 8 . OH O 12.382 10.878 -13.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 10 . 2610 . 1 1 9 THR C C 6.812 8.417 -7.341 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 10 . 2611 . 1 1 9 THR CA C 7.618 7.125 -7.408 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 10 . 2612 . 1 1 9 THR CB C 8.429 6.970 -6.108 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 10 . 2613 . 1 1 9 THR CG2 C 7.828 5.890 -5.221 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2614 . 1 1 9 THR H H 9.292 7.662 -8.589 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 10 . 2615 . 1 1 9 THR HA H 6.936 6.291 -7.484 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 10 . 2616 . 1 1 9 THR HB H 8.405 7.909 -5.573 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 10 . 2617 . 1 1 9 THR HG1 H 10.238 7.421 -6.750 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2618 . 1 1 9 THR HG21 H 8.043 6.113 -4.186 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 10 . 2619 . 1 1 9 THR HG22 H 6.759 5.857 -5.367 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 10 . 2620 . 1 1 9 THR HG23 H 8.257 4.933 -5.479 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 10 . 2621 . 1 1 9 THR N N 8.484 7.106 -8.580 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 10 . 2622 . 1 1 9 THR O O 6.890 9.256 -8.240 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 10 . 2623 . 1 1 9 THR OG1 O 9.789 6.643 -6.415 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2624 . 1 1 10 TRP C C 4.455 9.700 -4.771 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 10 . 2625 . 1 1 10 TRP CA C 5.221 9.765 -6.088 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 10 . 2626 . 1 1 10 TRP CB C 4.243 9.921 -7.254 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 10 . 2627 . 1 1 10 TRP CD1 C 2.616 7.959 -6.989 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 10 . 2628 . 1 1 10 TRP CD2 C 3.881 7.865 -8.836 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2629 . 1 1 10 TRP CE2 C 3.037 6.737 -8.811 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2630 . 1 1 10 TRP CE3 C 4.766 8.021 -9.906 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2631 . 1 1 10 TRP CG C 3.595 8.634 -7.662 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 10 . 2632 . 1 1 10 TRP CH2 C 3.931 5.950 -10.850 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 10 . 2633 . 1 1 10 TRP CZ2 C 3.055 5.772 -9.814 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 10 . 2634 . 1 1 10 TRP CZ3 C 4.782 7.063 -10.902 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 10 . 2635 . 1 1 10 TRP H H 6.021 7.869 -5.589 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 10 . 2636 . 1 1 10 TRP HA H 5.881 10.619 -6.065 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 10 . 2637 . 1 1 10 TRP HB2 H 3.463 10.613 -6.971 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2638 . 1 1 10 TRP HB3 H 4.775 10.315 -8.108 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2639 . 1 1 10 TRP HD1 H 2.184 8.286 -6.056 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 10 . 2640 . 1 1 10 TRP HE1 H 1.598 6.167 -7.395 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 10 . 2641 . 1 1 10 TRP HE3 H 5.429 8.871 -9.963 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2642 . 1 1 10 TRP HH2 H 3.979 5.226 -11.649 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 10 . 2643 . 1 1 10 TRP HZ2 H 2.405 4.910 -9.790 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 10 . 2644 . 1 1 10 TRP HZ3 H 5.460 7.166 -11.737 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 10 . 2645 . 1 1 10 TRP N N 6.041 8.573 -6.271 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 10 . 2646 . 1 1 10 TRP NE1 N 2.276 6.817 -7.675 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 10 . 2647 . 1 1 10 TRP O O 4.231 10.722 -4.122 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 10 . 2648 . 1 1 11 ARG C C 1.958 8.997 -3.203 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 10 . 2649 . 1 1 11 ARG CA C 3.314 8.299 -3.142 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 10 . 2650 . 1 1 11 ARG CB C 4.118 8.825 -1.952 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 10 . 2651 . 1 1 11 ARG CD C 2.799 9.512 0.073 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 10 . 2652 . 1 1 11 ARG CG C 3.568 8.389 -0.604 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 10 . 2653 . 1 1 11 ARG CZ C 3.207 11.832 0.778 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 10 . 2654 . 1 1 11 ARG H H 4.264 7.717 -4.941 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 10 . 2655 . 1 1 11 ARG HA H 3.152 7.238 -3.015 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 10 . 2656 . 1 1 11 ARG HB2 H 5.134 8.469 -2.034 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2657 . 1 1 11 ARG HB3 H 4.120 9.905 -1.985 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2658 . 1 1 11 ARG HD2 H 2.026 9.856 -0.597 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2659 . 1 1 11 ARG HD3 H 2.347 9.127 0.976 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 10 . 2660 . 1 1 11 ARG HE H 4.632 10.494 0.378 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 10 . 2661 . 1 1 11 ARG HG2 H 2.903 7.550 -0.751 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2662 . 1 1 11 ARG HG3 H 4.390 8.093 0.030 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2663 . 1 1 11 ARG HH11 H 1.259 11.322 0.618 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 10 . 2664 . 1 1 11 ARG HH12 H 1.560 12.955 1.113 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 10 . 2665 . 1 1 11 ARG HH21 H 5.042 12.642 1.030 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 10 . 2666 . 1 1 11 ARG HH22 H 3.713 13.705 1.347 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 10 . 2667 . 1 1 11 ARG N N 4.055 8.495 -4.381 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 10 . 2668 . 1 1 11 ARG NE N 3.664 10.638 0.418 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 10 . 2669 . 1 1 11 ARG NH1 N 1.902 12.054 0.841 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 10 . 2670 . 1 1 11 ARG NH2 N 4.057 12.806 1.076 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 10 . 2671 . 1 1 11 ARG O O 1.877 10.224 -3.142 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 10 . 2672 . 1 1 12 THR C C -1.251 8.411 -2.140 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 10 . 2673 . 1 1 12 THR CA C -0.455 8.750 -3.396 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 10 . 2674 . 1 1 12 THR CB C -1.211 8.216 -4.627 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 10 . 2675 . 1 1 12 THR CG2 C -1.071 6.705 -4.734 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2676 . 1 1 12 THR H H 1.025 7.237 -3.368 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 10 . 2677 . 1 1 12 THR HA H -0.380 9.824 -3.483 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 10 . 2678 . 1 1 12 THR HB H -0.787 8.665 -5.514 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 10 . 2679 . 1 1 12 THR HG1 H -3.040 7.974 -3.932 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2680 . 1 1 12 THR HG21 H -1.589 6.357 -5.616 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 10 . 2681 . 1 1 12 THR HG22 H -0.026 6.444 -4.803 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 10 . 2682 . 1 1 12 THR HG23 H -1.501 6.240 -3.859 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 10 . 2683 . 1 1 12 THR N N 0.895 8.207 -3.324 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 10 . 2684 . 1 1 12 THR O O -2.008 9.237 -1.632 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 10 . 2685 . 1 1 12 THR OG1 O -2.596 8.567 -4.543 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 10 . 2686 . 1 1 13 . C C -0.791 6.319 0.639 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 10 . 2687 . 1 1 13 . CA C -1.772 6.742 -0.446 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 10 . 2688 . 1 1 13 . CB C -2.717 5.586 -0.780 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 10 . 2689 . 1 1 13 . CD C -4.481 4.354 0.521 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 10 . 2690 . 1 1 13 . CE C -5.787 4.478 1.291 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 10 . 2691 . 1 1 13 . CG C -4.084 5.679 -0.113 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 10 . 2692 . 1 1 13 . CH C -7.058 2.345 1.460 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 10 . 2693 . 1 1 13 . CH3 C -8.117 1.450 0.864 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 10 . 2694 . 1 1 13 . H H -0.437 6.559 -2.108 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 10 . 2695 . 1 1 13 . HB2 H -2.873 5.542 -1.857 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2696 . 1 1 13 . HB3 H -2.260 4.643 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2697 . 1 1 13 . HCA H -2.362 7.573 -0.058 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 10 . 2698 . 1 1 13 . HD2 H -4.598 3.599 -0.258 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 10 . 2699 . 1 1 13 . HD3 H -3.696 4.028 1.203 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 10 . 2700 . 1 1 13 . HE2 H -5.606 4.283 2.347 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2701 . 1 1 13 . HE3 H -6.172 5.494 1.194 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 10 . 2702 . 1 1 13 . HG2 H -4.060 6.449 0.659 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2703 . 1 1 13 . HG3 H -4.832 5.955 -0.855 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2704 . 1 1 13 . HH31 H -9.013 1.482 1.485 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 10 . 2705 . 1 1 13 . HH32 H -8.359 1.794 -0.141 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 10 . 2706 . 1 1 13 . HH33 H -7.745 0.427 0.818 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 10 . 2707 . 1 1 13 . HZ H -7.720 3.980 0.787 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 10 . 2708 . 1 1 13 . N N -1.073 7.191 -1.643 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 10 . 2709 . 1 1 13 . NZ N -6.818 3.526 0.796 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 10 . 2710 . 1 1 13 . O O 0.413 6.545 0.522 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 10 . 2711 . 1 1 13 . OH O -6.395 2.072 2.516 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 10 . 2712 . 1 1 14 GLN C C -0.293 3.738 2.759 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 10 . 2713 . 1 1 14 GLN CA C -0.482 5.250 2.804 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 10 . 2714 . 1 1 14 GLN CB C -1.107 5.659 4.139 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 10 . 2715 . 1 1 14 GLN CD C -2.998 4.978 5.670 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 10 . 2716 . 1 1 14 GLN CG C -2.583 5.312 4.251 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 10 . 2717 . 1 1 14 GLN H H -2.280 5.554 1.730 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 10 . 2718 . 1 1 14 GLN HA H 0.483 5.724 2.709 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 10 . 2719 . 1 1 14 GLN HB2 H -0.580 5.159 4.938 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2720 . 1 1 14 GLN HB3 H -1.001 6.726 4.260 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2721 . 1 1 14 GLN HE21 H -4.794 5.773 5.359 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 10 . 2722 . 1 1 14 GLN HE22 H -4.524 5.122 6.935 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 10 . 2723 . 1 1 14 GLN HG2 H -3.165 6.157 3.912 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 10 . 2724 . 1 1 14 GLN HG3 H -2.788 4.459 3.621 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 10 . 2725 . 1 1 14 GLN N N -1.314 5.705 1.696 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 10 . 2726 . 1 1 14 GLN NE2 N -4.229 5.326 6.024 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 10 . 2727 . 1 1 14 GLN O O -1.033 2.990 3.400 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 10 . 2728 . 1 1 14 GLN OE1 O -2.220 4.413 6.439 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 10 . 2729 . 1 1 15 CYS C C 1.127 1.215 3.238 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 10 . 2730 . 1 1 15 CYS CA C 0.986 1.870 1.866 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 10 . 2731 . 1 1 15 CYS CB C 2.266 1.658 1.054 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 10 . 2732 . 1 1 15 CYS H H 1.255 3.939 1.509 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 10 . 2733 . 1 1 15 CYS HA H 0.160 1.411 1.346 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 10 . 2734 . 1 1 15 CYS HB2 H 2.430 2.520 0.425 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 10 . 2735 . 1 1 15 CYS HB3 H 3.100 1.548 1.732 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 10 . 2736 . 1 1 15 CYS N N 0.700 3.294 1.997 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 10 . 2737 . 1 1 15 CYS O O 2.028 1.551 4.007 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 10 . 2738 . 1 1 15 CYS SG S 2.229 0.188 -0.020 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 10 . 2739 . 1 1 16 NH2 HN1 H -0.708 0.456 3.448 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 10 . 2740 . 1 1 16 NH2 N N 0.292 0.299 3.595 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 11 . 2741 . 1 1 1 ACE C C 1.593 0.988 -2.193 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 11 . 2742 . 1 1 1 ACE CH3 C 2.192 0.049 -1.165 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 11 . 2743 . 1 1 1 ACE H1 H 3.188 -0.178 -1.544 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 11 . 2744 . 1 1 1 ACE H2 H 1.377 -0.672 -1.103 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 11 . 2745 . 1 1 1 ACE O O 0.389 0.951 -2.449 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 11 . 2746 . 1 1 2 TRP C C 2.054 2.182 -5.185 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 11 . 2747 . 1 1 2 TRP CA C 1.977 2.786 -3.786 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 11 . 2748 . 1 1 2 TRP CB C 2.816 4.064 -3.724 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 11 . 2749 . 1 1 2 TRP CD1 C 2.106 4.751 -1.358 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 11 . 2750 . 1 1 2 TRP CD2 C 4.307 4.905 -1.740 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2751 . 1 1 2 TRP CE2 C 4.051 5.308 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2752 . 1 1 2 TRP CE3 C 5.625 4.918 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2753 . 1 1 2 TRP CG C 3.050 4.552 -2.326 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 11 . 2754 . 1 1 2 TRP CH2 C 6.346 5.723 -0.036 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 11 . 2755 . 1 1 2 TRP CZ2 C 5.065 5.720 0.446 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 11 . 2756 . 1 1 2 TRP CZ3 C 6.629 5.327 -1.350 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 11 . 2757 . 1 1 2 TRP H H 3.381 1.814 -2.535 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 11 . 2758 . 1 1 2 TRP HA H 0.948 3.030 -3.568 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 11 . 2759 . 1 1 2 TRP HB2 H 3.777 3.879 -4.177 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2760 . 1 1 2 TRP HB3 H 2.308 4.846 -4.270 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2761 . 1 1 2 TRP HD1 H 1.050 4.574 -1.493 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 11 . 2762 . 1 1 2 TRP HE1 H 2.235 5.421 0.629 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 11 . 2763 . 1 1 2 TRP HE3 H 5.863 4.617 -3.215 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2764 . 1 1 2 TRP HH2 H 7.162 6.035 0.597 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 11 . 2765 . 1 1 2 TRP HZ2 H 4.863 6.027 1.462 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 11 . 2766 . 1 1 2 TRP HZ3 H 7.654 5.344 -1.692 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 11 . 2767 . 1 1 2 TRP N N 2.432 1.832 -2.782 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 11 . 2768 . 1 1 2 TRP NE1 N 2.702 5.206 -0.207 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 11 . 2769 . 1 1 2 TRP O O 2.279 0.982 -5.342 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 11 . 2770 . 1 1 3 LYS C C 3.283 2.848 -8.198 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 11 . 2771 . 1 1 3 LYS CA C 1.914 2.570 -7.583 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 11 . 2772 . 1 1 3 LYS CB C 0.825 3.262 -8.406 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 11 . 2773 . 1 1 3 LYS CD C -0.690 2.431 -10.228 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 11 . 2774 . 1 1 3 LYS CE C -0.737 1.311 -11.257 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 11 . 2775 . 1 1 3 LYS CG C 0.739 2.769 -9.839 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 11 . 2776 . 1 1 3 LYS H H 1.690 3.967 -6.008 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 11 . 2777 . 1 1 3 LYS HA H 1.739 1.505 -7.593 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 11 . 2778 . 1 1 3 LYS HB2 H -0.130 3.092 -7.930 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2779 . 1 1 3 LYS HB3 H 1.024 4.324 -8.423 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2780 . 1 1 3 LYS HD2 H -1.229 2.116 -9.347 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2781 . 1 1 3 LYS HD3 H -1.158 3.311 -10.645 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 11 . 2782 . 1 1 3 LYS HE2 H -1.368 1.620 -12.077 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2783 . 1 1 3 LYS HE3 H 0.263 1.132 -11.622 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2784 . 1 1 3 LYS HG2 H 1.107 3.542 -10.499 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2785 . 1 1 3 LYS HG3 H 1.351 1.884 -9.943 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2786 . 1 1 3 LYS HZ1 H -2.315 0.082 -10.656 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 11 . 2787 . 1 1 3 LYS HZ2 H -0.978 -0.764 -11.257 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 11 . 2788 . 1 1 3 LYS HZ3 H -0.922 -0.081 -9.710 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 11 . 2789 . 1 1 3 LYS N N 1.866 3.020 -6.198 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 11 . 2790 . 1 1 3 LYS NZ N -1.276 0.049 -10.680 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 11 . 2791 . 1 1 3 LYS O O 3.956 3.812 -7.831 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 11 . 2792 . 1 1 4 THR C C 4.823 2.096 -11.318 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 11 . 2793 . 1 1 4 THR CA C 4.976 2.153 -9.801 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 11 . 2794 . 1 1 4 THR CB C 5.972 1.066 -9.357 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 11 . 2795 . 1 1 4 THR CG2 C 7.347 1.312 -9.960 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2796 . 1 1 4 THR H H 3.108 1.250 -9.386 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 11 . 2797 . 1 1 4 THR HA H 5.381 3.116 -9.527 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 11 . 2798 . 1 1 4 THR HB H 5.612 0.106 -9.701 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 11 . 2799 . 1 1 4 THR HG1 H 5.228 0.773 -7.555 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2800 . 1 1 4 THR HG21 H 7.303 1.163 -11.029 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 11 . 2801 . 1 1 4 THR HG22 H 7.657 2.325 -9.750 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 11 . 2802 . 1 1 4 THR HG23 H 8.058 0.622 -9.530 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 11 . 2803 . 1 1 4 THR N N 3.689 1.998 -9.136 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 11 . 2804 . 1 1 4 THR O O 4.299 1.123 -11.861 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 11 . 2805 . 1 1 4 THR OG1 O 6.070 1.045 -7.928 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2806 . 1 1 5 ILE C C 6.397 3.943 -14.035 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 11 . 2807 . 1 1 5 ILE CA C 5.196 3.211 -13.448 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 11 . 2808 . 1 1 5 ILE CB C 3.905 3.917 -13.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 11 . 2809 . 1 1 5 ILE CD1 C 1.381 3.961 -13.584 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 11 . 2810 . 1 1 5 ILE CG1 C 2.688 3.294 -13.217 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2811 . 1 1 5 ILE CG2 C 3.765 3.839 -15.416 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2812 . 1 1 5 ILE H H 5.688 3.888 -11.504 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 11 . 2813 . 1 1 5 ILE HA H 5.182 2.200 -13.827 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 11 . 2814 . 1 1 5 ILE HB H 3.973 4.957 -13.625 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 11 . 2815 . 1 1 5 ILE HD11 H 0.944 4.406 -12.702 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 11 . 2816 . 1 1 5 ILE HD12 H 1.562 4.728 -14.322 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 11 . 2817 . 1 1 5 ILE HD13 H 0.702 3.224 -13.989 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 11 . 2818 . 1 1 5 ILE HG12 H 2.618 2.255 -13.495 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 11 . 2819 . 1 1 5 ILE HG13 H 2.810 3.368 -12.146 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 11 . 2820 . 1 1 5 ILE HG21 H 4.651 3.386 -15.837 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 11 . 2821 . 1 1 5 ILE HG22 H 2.900 3.241 -15.668 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 11 . 2822 . 1 1 5 ILE HG23 H 3.643 4.834 -15.818 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 11 . 2823 . 1 1 5 ILE N N 5.282 3.144 -11.993 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 11 . 2824 . 1 1 5 ILE O O 6.731 5.050 -13.613 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 11 . 2825 . 1 1 6 . C C 9.330 4.151 -14.667 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 11 . 2826 . 1 1 6 . CA C 8.206 3.908 -15.665 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 11 . 2827 . 1 1 6 . CB C 7.826 5.219 -16.357 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 11 . 2828 . 1 1 6 . CD C 6.052 6.442 -17.652 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 11 . 2829 . 1 1 6 . CE C 5.113 6.857 -16.529 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 11 . 2830 . 1 1 6 . CG C 6.692 5.091 -17.366 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 11 . 2831 . 1 1 6 . CH C 5.427 8.454 -14.645 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 11 . 2832 . 1 1 6 . CH3 C 4.381 9.427 -14.158 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 11 . 2833 . 1 1 6 . H H 6.718 2.410 -15.317 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 11 . 2834 . 1 1 6 . HB2 H 7.526 5.952 -15.609 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2835 . 1 1 6 . HB3 H 8.695 5.620 -16.879 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2836 . 1 1 6 . HCA H 8.573 3.210 -16.419 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 11 . 2837 . 1 1 6 . HD2 H 6.830 7.197 -17.763 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2838 . 1 1 6 . HD3 H 5.488 6.387 -18.582 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 11 . 2839 . 1 1 6 . HE2 H 4.089 6.867 -16.896 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2840 . 1 1 6 . HE3 H 5.178 6.135 -15.714 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2841 . 1 1 6 . HG2 H 7.080 4.677 -18.298 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2842 . 1 1 6 . HG3 H 5.934 4.414 -16.976 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2843 . 1 1 6 . HH31 H 3.820 9.814 -15.009 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 11 . 2844 . 1 1 6 . HH32 H 3.700 8.915 -13.477 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 11 . 2845 . 1 1 6 . HH33 H 4.865 10.251 -13.637 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 11 . 2846 . 1 1 6 . HZ H 6.385 8.456 -16.272 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 11 . 2847 . 1 1 6 . N N 7.042 3.318 -15.015 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 11 . 2848 . 1 1 6 . NZ N 5.445 8.208 -15.998 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 11 . 2849 . 1 1 6 . O O 10.068 5.130 -14.771 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 11 . 2850 . 1 1 6 . OH O 6.271 7.866 -13.888 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 11 . 2851 . 1 1 7 GLY C C 10.492 4.748 -12.032 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 11 . 2852 . 1 1 7 GLY CA C 10.497 3.383 -12.691 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 11 . 2853 . 1 1 7 GLY H H 8.841 2.488 -13.664 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 11 . 2854 . 1 1 7 GLY HA2 H 10.349 2.628 -11.935 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 11 . 2855 . 1 1 7 GLY HA3 H 11.457 3.226 -13.161 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 11 . 2856 . 1 1 7 GLY N N 9.457 3.250 -13.697 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 11 . 2857 . 1 1 7 GLY O O 11.504 5.449 -12.035 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 11 . 2858 . 1 1 8 . C C 8.238 6.335 -9.635 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 11 . 2859 . 1 1 8 . CA C 9.216 6.416 -10.800 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 11 . 2860 . 1 1 8 . CB C 8.764 7.488 -11.793 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 11 . 2861 . 1 1 8 . CD C 10.609 8.533 -13.144 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 11 . 2862 . 1 1 8 . CE C 10.010 9.244 -14.347 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 11 . 2863 . 1 1 8 . CG C 9.717 8.670 -11.918 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 11 . 2864 . 1 1 8 . CH C 10.807 8.771 -16.657 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 11 . 2865 . 1 1 8 . CH3 C 11.136 7.680 -17.648 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 11 . 2866 . 1 1 8 . H H 8.556 4.503 -11.496 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 11 . 2867 . 1 1 8 . HB2 H 8.651 7.042 -12.782 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2868 . 1 1 8 . HB3 H 7.790 7.873 -11.494 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2869 . 1 1 8 . HCA H 10.190 6.701 -10.398 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 11 . 2870 . 1 1 8 . HD2 H 11.590 8.959 -12.929 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2871 . 1 1 8 . HD3 H 10.738 7.478 -13.384 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 11 . 2872 . 1 1 8 . HE2 H 8.975 9.508 -14.137 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2873 . 1 1 8 . HE3 H 10.565 10.163 -14.539 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2874 . 1 1 8 . HG2 H 9.142 9.593 -12.000 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2875 . 1 1 8 . HG3 H 10.343 8.728 -11.029 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2876 . 1 1 8 . HH31 H 10.241 7.422 -18.216 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 11 . 2877 . 1 1 8 . HH32 H 11.910 8.031 -18.330 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 11 . 2878 . 1 1 8 . HH33 H 11.492 6.800 -17.115 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 11 . 2879 . 1 1 8 . HZ H 10.409 7.483 -15.336 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 11 . 2880 . 1 1 8 . N N 9.351 5.126 -11.465 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 11 . 2881 . 1 1 8 . NZ N 10.051 8.397 -15.572 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 11 . 2882 . 1 1 8 . O O 7.291 5.547 -9.657 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 11 . 2883 . 1 1 8 . OH O 11.184 9.985 -16.774 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 11 . 2884 . 1 1 9 THR C C 6.787 8.461 -7.383 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 11 . 2885 . 1 1 9 THR CA C 7.609 7.178 -7.440 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 11 . 2886 . 1 1 9 THR CB C 8.427 7.049 -6.142 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 11 . 2887 . 1 1 9 THR CG2 C 7.848 5.968 -5.242 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2888 . 1 1 9 THR H H 9.240 7.762 -8.657 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 11 . 2889 . 1 1 9 THR HA H 6.937 6.335 -7.503 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 11 . 2890 . 1 1 9 THR HB H 8.391 7.992 -5.616 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 11 . 2891 . 1 1 9 THR HG1 H 10.344 7.502 -6.265 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2892 . 1 1 9 THR HG21 H 8.048 6.214 -4.209 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 11 . 2893 . 1 1 9 THR HG22 H 6.781 5.904 -5.398 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 11 . 2894 . 1 1 9 THR HG23 H 8.304 5.019 -5.481 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 11 . 2895 . 1 1 9 THR N N 8.470 7.156 -8.616 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 11 . 2896 . 1 1 9 THR O O 6.849 9.289 -8.293 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 11 . 2897 . 1 1 9 THR OG1 O 9.791 6.739 -6.451 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2898 . 1 1 10 TRP C C 4.430 9.746 -4.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 11 . 2899 . 1 1 10 TRP CA C 5.186 9.803 -6.137 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 11 . 2900 . 1 1 10 TRP CB C 4.199 9.933 -7.299 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 11 . 2901 . 1 1 10 TRP CD1 C 2.598 7.954 -6.999 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 11 . 2902 . 1 1 10 TRP CD2 C 3.853 7.852 -8.852 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2903 . 1 1 10 TRP CE2 C 3.023 6.714 -8.807 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2904 . 1 1 10 TRP CE3 C 4.729 8.005 -9.930 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2905 . 1 1 10 TRP CG C 3.565 8.632 -7.687 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 11 . 2906 . 1 1 10 TRP CH2 C 3.915 5.912 -10.842 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 11 . 2907 . 1 1 10 TRP CZ2 C 3.047 5.737 -9.799 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 11 . 2908 . 1 1 10 TRP CZ3 C 4.751 7.034 -10.913 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 11 . 2909 . 1 1 10 TRP H H 6.014 7.924 -5.621 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 11 . 2910 . 1 1 10 TRP HA H 5.835 10.667 -6.130 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 11 . 2911 . 1 1 10 TRP HB2 H 3.413 10.618 -7.019 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2912 . 1 1 10 TRP HB3 H 4.720 10.322 -8.162 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2913 . 1 1 10 TRP HD1 H 2.167 8.288 -6.067 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 11 . 2914 . 1 1 10 TRP HE1 H 1.600 6.145 -7.375 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 11 . 2915 . 1 1 10 TRP HE3 H 5.381 8.863 -10.002 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2916 . 1 1 10 TRP HH2 H 3.966 5.178 -11.631 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 11 . 2917 . 1 1 10 TRP HZ2 H 2.408 4.866 -9.758 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 11 . 2918 . 1 1 10 TRP HZ3 H 5.423 7.134 -11.753 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 11 . 2919 . 1 1 10 TRP N N 6.020 8.619 -6.311 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 11 . 2920 . 1 1 10 TRP NE1 N 2.268 6.800 -7.667 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 11 . 2921 . 1 1 10 TRP O O 4.197 10.773 -4.177 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 11 . 2922 . 1 1 11 ARG C C 1.953 9.031 -3.222 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 11 . 2923 . 1 1 11 ARG CA C 3.316 8.350 -3.161 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 11 . 2924 . 1 1 11 ARG CB C 4.122 8.902 -1.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 11 . 2925 . 1 1 11 ARG CD C 2.808 9.597 0.043 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 11 . 2926 . 1 1 11 ARG CG C 3.586 8.476 -0.626 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 11 . 2927 . 1 1 11 ARG CZ C 0.850 9.866 1.506 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 11 . 2928 . 1 1 11 ARG H H 4.263 7.759 -4.960 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 11 . 2929 . 1 1 11 ARG HA H 3.170 7.289 -3.021 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 11 . 2930 . 1 1 11 ARG HB2 H 5.142 8.559 -2.067 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2931 . 1 1 11 ARG HB3 H 4.109 9.980 -2.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2932 . 1 1 11 ARG HD2 H 3.490 10.183 0.642 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2933 . 1 1 11 ARG HD3 H 2.374 10.223 -0.723 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 11 . 2934 . 1 1 11 ARG HE H 1.687 8.119 1.030 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 11 . 2935 . 1 1 11 ARG HG2 H 2.930 7.628 -0.759 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2936 . 1 1 11 ARG HG3 H 4.415 8.197 0.006 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2937 . 1 1 11 ARG HH11 H 1.605 11.590 0.772 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 11 . 2938 . 1 1 11 ARG HH12 H 0.225 11.764 1.804 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 11 . 2939 . 1 1 11 ARG HH21 H -0.130 8.336 2.392 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 11 . 2940 . 1 1 11 ARG HH22 H -0.761 9.913 2.725 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 11 . 2941 . 1 1 11 ARG N N 4.048 8.540 -4.408 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 11 . 2942 . 1 1 11 ARG NE N 1.741 9.089 0.900 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 11 . 2943 . 1 1 11 ARG NH1 N 0.898 11.181 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 11 . 2944 . 1 1 11 ARG NH2 N -0.091 9.328 2.271 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 11 . 2945 . 1 1 11 ARG O O 1.855 10.258 -3.176 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 11 . 2946 . 1 1 12 THR C C -1.243 8.413 -2.132 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 11 . 2947 . 1 1 12 THR CA C -0.460 8.750 -3.396 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 11 . 2948 . 1 1 12 THR CB C -1.214 8.194 -4.618 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 11 . 2949 . 1 1 12 THR CG2 C -1.056 6.684 -4.710 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2950 . 1 1 12 THR H H 1.041 7.257 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 11 . 2951 . 1 1 12 THR HA H -0.397 9.824 -3.494 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 11 . 2952 . 1 1 12 THR HB H -0.800 8.640 -5.511 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 11 . 2953 . 1 1 12 THR HG1 H -3.045 7.910 -3.944 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2954 . 1 1 12 THR HG21 H -0.007 6.435 -4.780 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 11 . 2955 . 1 1 12 THR HG22 H -1.479 6.223 -3.830 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 11 . 2956 . 1 1 12 THR HG23 H -1.571 6.322 -5.588 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 11 . 2957 . 1 1 12 THR N N 0.899 8.226 -3.326 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 11 . 2958 . 1 1 12 THR O O -2.008 9.236 -1.626 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 11 . 2959 . 1 1 12 THR OG1 O -2.604 8.530 -4.529 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 11 . 2960 . 1 1 13 . C C -0.744 6.359 0.665 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 11 . 2961 . 1 1 13 . CA C -1.737 6.753 -0.421 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 11 . 2962 . 1 1 13 . CB C -2.664 5.578 -0.738 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 11 . 2963 . 1 1 13 . CD C -5.113 5.517 -1.299 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 11 . 2964 . 1 1 13 . CE C -6.425 6.214 -0.971 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 11 . 2965 . 1 1 13 . CG C -4.081 5.735 -0.203 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 11 . 2966 . 1 1 13 . CH C -8.668 5.717 -0.012 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 11 . 2967 . 1 1 13 . CH3 C -9.297 4.957 1.131 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 11 . 2968 . 1 1 13 . H H -0.408 6.571 -2.089 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 11 . 2969 . 1 1 13 . HB2 H -2.727 5.445 -1.818 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2970 . 1 1 13 . HB3 H -2.247 4.662 -0.319 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2971 . 1 1 13 . HCA H -2.338 7.579 -0.040 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 11 . 2972 . 1 1 13 . HD2 H -4.730 5.907 -2.243 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 11 . 2973 . 1 1 13 . HD3 H -5.300 4.450 -1.416 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 11 . 2974 . 1 1 13 . HE2 H -6.249 6.990 -0.228 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 11 . 2975 . 1 1 13 . HE3 H -6.822 6.685 -1.871 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 11 . 2976 . 1 1 13 . HG2 H -4.252 5.009 0.595 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2977 . 1 1 13 . HG3 H -4.206 6.736 0.209 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2978 . 1 1 13 . HH31 H -8.783 4.004 1.261 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 11 . 2979 . 1 1 13 . HH32 H -9.212 5.544 2.046 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 11 . 2980 . 1 1 13 . HH33 H -10.347 4.775 0.911 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 11 . 2981 . 1 1 13 . HZ H -7.676 4.588 -1.155 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 11 . 2982 . 1 1 13 . N N -1.049 7.200 -1.626 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 11 . 2983 . 1 1 13 . NZ N -7.442 5.264 -0.442 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 11 . 2984 . 1 1 13 . O O 0.456 6.603 0.541 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 11 . 2985 . 1 1 13 . OH O -9.200 6.727 -0.584 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 11 . 2986 . 1 1 14 GLN C C -0.196 3.810 2.812 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 11 . 2987 . 1 1 14 GLN CA C -0.409 5.320 2.840 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 11 . 2988 . 1 1 14 GLN CB C -1.036 5.733 4.173 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 11 . 2989 . 1 1 14 GLN CD C -1.024 7.416 6.057 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 11 . 2990 . 1 1 14 GLN CG C -0.660 7.139 4.612 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 11 . 2991 . 1 1 14 GLN H H -2.217 5.582 1.771 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 11 . 2992 . 1 1 14 GLN HA H 0.548 5.808 2.736 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 11 . 2993 . 1 1 14 GLN HB2 H -2.111 5.683 4.083 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 2994 . 1 1 14 GLN HB3 H -0.714 5.043 4.938 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 2995 . 1 1 14 GLN HE21 H 0.758 6.771 6.656 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 11 . 2996 . 1 1 14 GLN HE22 H -0.306 7.306 7.907 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 11 . 2997 . 1 1 14 GLN HG2 H 0.406 7.265 4.496 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 11 . 2998 . 1 1 14 GLN HG3 H -1.176 7.849 3.984 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 11 . 2999 . 1 1 14 GLN N N -1.253 5.748 1.731 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 11 . 3000 . 1 1 14 GLN NE2 N -0.098 7.135 6.966 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 11 . 3001 . 1 1 14 GLN O O -0.916 3.059 3.471 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 11 . 3002 . 1 1 14 GLN OE1 O -2.126 7.878 6.354 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 11 . 3003 . 1 1 15 CYS C C 1.270 1.317 3.305 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 11 . 3004 . 1 1 15 CYS CA C 1.102 1.952 1.928 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 11 . 3005 . 1 1 15 CYS CB C 2.376 1.750 1.103 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 11 . 3006 . 1 1 15 CYS H H 1.334 4.020 1.541 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 11 . 3007 . 1 1 15 CYS HA H 0.277 1.474 1.422 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 11 . 3008 . 1 1 15 CYS HB2 H 2.513 2.601 0.452 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 11 . 3009 . 1 1 15 CYS HB3 H 3.220 1.675 1.771 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 11 . 3010 . 1 1 15 CYS N N 0.794 3.372 2.044 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 11 . 3011 . 1 1 15 CYS O O 0.472 0.472 3.710 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 11 . 3012 . 1 1 15 CYS SG S 2.357 0.257 0.059 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 11 . 3013 . 1 1 16 NH2 HN1 H 3.214 1.481 3.734 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 11 . 3014 . 1 1 16 NH2 N N 2.260 1.670 4.053 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 12 . 3015 . 1 1 1 ACE C C 1.591 0.985 -2.200 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 12 . 3016 . 1 1 1 ACE CH3 C 2.189 0.045 -1.172 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 12 . 3017 . 1 1 1 ACE H1 H 3.183 -0.186 -1.555 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 12 . 3018 . 1 1 1 ACE H2 H 1.370 -0.670 -1.107 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 12 . 3019 . 1 1 1 ACE O O 0.388 0.948 -2.458 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 12 . 3020 . 1 1 2 TRP C C 2.053 2.181 -5.189 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 12 . 3021 . 1 1 2 TRP CA C 1.978 2.784 -3.791 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 12 . 3022 . 1 1 2 TRP CB C 2.819 4.061 -3.727 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 12 . 3023 . 1 1 2 TRP CD1 C 2.109 4.749 -1.362 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 12 . 3024 . 1 1 2 TRP CD2 C 4.311 4.900 -1.744 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3025 . 1 1 2 TRP CE2 C 4.055 5.303 -0.418 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3026 . 1 1 2 TRP CE3 C 5.628 4.911 -2.209 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3027 . 1 1 2 TRP CG C 3.052 4.549 -2.329 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 12 . 3028 . 1 1 2 TRP CH2 C 6.350 5.715 -0.039 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 12 . 3029 . 1 1 2 TRP CZ2 C 5.070 5.714 0.443 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 12 . 3030 . 1 1 2 TRP CZ3 C 6.634 5.318 -1.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 12 . 3031 . 1 1 2 TRP H H 3.380 1.811 -2.538 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 12 . 3032 . 1 1 2 TRP HA H 0.949 3.030 -3.573 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 12 . 3033 . 1 1 2 TRP HB2 H 3.780 3.874 -4.180 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3034 . 1 1 2 TRP HB3 H 2.313 4.843 -4.274 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3035 . 1 1 2 TRP HD1 H 1.052 4.574 -1.498 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 12 . 3036 . 1 1 2 TRP HE1 H 2.239 5.419 0.625 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 12 . 3037 . 1 1 2 TRP HE3 H 5.867 4.609 -3.218 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3038 . 1 1 2 TRP HH2 H 7.167 6.025 0.594 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 12 . 3039 . 1 1 2 TRP HZ2 H 4.866 6.021 1.459 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 12 . 3040 . 1 1 2 TRP HZ3 H 7.659 5.334 -1.694 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 12 . 3041 . 1 1 2 TRP N N 2.432 1.830 -2.786 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 12 . 3042 . 1 1 2 TRP NE1 N 2.706 5.203 -0.211 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 12 . 3043 . 1 1 2 TRP O O 2.276 0.981 -5.347 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 12 . 3044 . 1 1 3 LYS C C 3.283 2.846 -8.203 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 12 . 3045 . 1 1 3 LYS CA C 1.913 2.570 -7.588 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 12 . 3046 . 1 1 3 LYS CB C 0.824 3.264 -8.409 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 12 . 3047 . 1 1 3 LYS CD C -0.689 2.428 -10.231 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 12 . 3048 . 1 1 3 LYS CE C -0.729 1.392 -11.344 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 12 . 3049 . 1 1 3 LYS CG C 0.740 2.774 -9.844 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 12 . 3050 . 1 1 3 LYS H H 1.692 3.966 -6.012 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 12 . 3051 . 1 1 3 LYS HA H 1.736 1.506 -7.597 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 12 . 3052 . 1 1 3 LYS HB2 H -0.130 3.094 -7.935 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3053 . 1 1 3 LYS HB3 H 1.025 4.326 -8.424 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3054 . 1 1 3 LYS HD2 H -1.201 2.032 -9.367 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3055 . 1 1 3 LYS HD3 H -1.188 3.325 -10.568 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 12 . 3056 . 1 1 3 LYS HE2 H 0.255 1.310 -11.778 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3057 . 1 1 3 LYS HE3 H -1.015 0.440 -10.921 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3058 . 1 1 3 LYS HG2 H 1.102 3.550 -10.503 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3059 . 1 1 3 LYS HG3 H 1.355 1.892 -9.950 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3060 . 1 1 3 LYS HZ1 H -1.937 0.926 -12.983 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 12 . 3061 . 1 1 3 LYS HZ2 H -2.574 2.134 -11.985 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 12 . 3062 . 1 1 3 LYS HZ3 H -1.291 2.489 -13.030 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 12 . 3063 . 1 1 3 LYS N N 1.866 3.020 -6.202 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 12 . 3064 . 1 1 3 LYS NZ N -1.700 1.761 -12.410 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 12 . 3065 . 1 1 3 LYS O O 3.956 3.810 -7.837 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 12 . 3066 . 1 1 4 THR C C 4.821 2.091 -11.320 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 12 . 3067 . 1 1 4 THR CA C 4.975 2.146 -9.804 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 12 . 3068 . 1 1 4 THR CB C 5.970 1.058 -9.360 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 12 . 3069 . 1 1 4 THR CG2 C 7.370 1.361 -9.873 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3070 . 1 1 4 THR H H 3.106 1.245 -9.387 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 12 . 3071 . 1 1 4 THR HA H 5.381 3.110 -9.530 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 12 . 3072 . 1 1 4 THR HB H 5.650 0.110 -9.770 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 12 . 3073 . 1 1 4 THR HG1 H 6.090 1.844 -7.555 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3074 . 1 1 4 THR HG21 H 7.302 1.894 -10.809 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 12 . 3075 . 1 1 4 THR HG22 H 7.894 1.968 -9.150 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 12 . 3076 . 1 1 4 THR HG23 H 7.906 0.436 -10.023 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 12 . 3077 . 1 1 4 THR N N 3.688 1.995 -9.139 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 12 . 3078 . 1 1 4 THR O O 4.306 1.114 -11.865 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 12 . 3079 . 1 1 4 THR OG1 O 5.989 0.966 -7.931 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3080 . 1 1 5 ILE C C 6.385 3.944 -14.038 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 12 . 3081 . 1 1 5 ILE CA C 5.185 3.210 -13.450 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 12 . 3082 . 1 1 5 ILE CB C 3.893 3.915 -13.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 12 . 3083 . 1 1 5 ILE CD1 C 1.377 3.998 -13.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 12 . 3084 . 1 1 5 ILE CG1 C 2.679 3.302 -13.202 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3085 . 1 1 5 ILE CG2 C 3.742 3.821 -15.415 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3086 . 1 1 5 ILE H H 5.673 3.889 -11.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 12 . 3087 . 1 1 5 ILE HA H 5.173 2.199 -13.830 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 12 . 3088 . 1 1 5 ILE HB H 3.966 4.958 -13.638 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 12 . 3089 . 1 1 5 ILE HD11 H 1.504 5.066 -13.435 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 12 . 3090 . 1 1 5 ILE HD12 H 1.088 3.760 -14.545 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 12 . 3091 . 1 1 5 ILE HD13 H 0.608 3.665 -12.851 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 12 . 3092 . 1 1 5 ILE HG12 H 2.585 2.269 -13.495 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 12 . 3093 . 1 1 5 ILE HG13 H 2.825 3.358 -12.133 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 12 . 3094 . 1 1 5 ILE HG21 H 3.587 4.809 -15.824 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 12 . 3095 . 1 1 5 ILE HG22 H 4.637 3.392 -15.840 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 12 . 3096 . 1 1 5 ILE HG23 H 2.894 3.195 -15.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 12 . 3097 . 1 1 5 ILE N N 5.272 3.142 -11.996 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 12 . 3098 . 1 1 5 ILE O O 6.700 5.064 -13.635 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 12 . 3099 . 1 1 6 . C C 9.336 4.143 -14.641 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 12 . 3100 . 1 1 6 . CA C 8.215 3.896 -15.643 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 12 . 3101 . 1 1 6 . CB C 7.835 5.203 -16.340 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 12 . 3102 . 1 1 6 . CD C 6.066 6.417 -17.648 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 12 . 3103 . 1 1 6 . CE C 5.078 6.807 -16.558 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 12 . 3104 . 1 1 6 . CG C 6.710 5.069 -17.356 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 12 . 3105 . 1 1 6 . CH C 4.927 8.718 -14.970 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 12 . 3106 . 1 1 6 . CH3 C 3.773 9.671 -14.780 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 12 . 3107 . 1 1 6 . H H 6.741 2.387 -15.281 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 12 . 3108 . 1 1 6 . HB2 H 7.529 5.938 -15.595 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3109 . 1 1 6 . HB3 H 8.707 5.606 -16.857 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3110 . 1 1 6 . HCA H 8.587 3.196 -16.393 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 12 . 3111 . 1 1 6 . HD2 H 6.839 7.182 -17.718 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3112 . 1 1 6 . HD3 H 5.539 6.370 -18.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 12 . 3113 . 1 1 6 . HE2 H 4.067 6.553 -16.874 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3114 . 1 1 6 . HE3 H 5.301 6.249 -15.649 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3115 . 1 1 6 . HG2 H 7.105 4.656 -18.286 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3116 . 1 1 6 . HG3 H 5.950 4.390 -16.970 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3117 . 1 1 6 . HH31 H 3.003 9.465 -15.524 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 12 . 3118 . 1 1 6 . HH32 H 3.355 9.539 -13.780 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 12 . 3119 . 1 1 6 . HH33 H 4.124 10.695 -14.895 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 12 . 3120 . 1 1 6 . HZ H 6.048 8.622 -16.487 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 12 . 3121 . 1 1 6 . N N 7.051 3.305 -14.995 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 12 . 3122 . 1 1 6 . NZ N 5.134 8.262 -16.252 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 12 . 3123 . 1 1 6 . O O 10.072 5.123 -14.746 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 12 . 3124 . 1 1 6 . OH O 5.699 8.325 -14.031 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 12 . 3125 . 1 1 7 GLY C C 10.488 4.750 -12.005 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 12 . 3126 . 1 1 7 GLY CA C 10.496 3.384 -12.659 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 12 . 3127 . 1 1 7 GLY H H 8.846 2.484 -13.634 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 12 . 3128 . 1 1 7 GLY HA2 H 10.347 2.631 -11.901 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 12 . 3129 . 1 1 7 GLY HA3 H 11.459 3.226 -13.125 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 12 . 3130 . 1 1 7 GLY N N 9.461 3.246 -13.668 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 12 . 3131 . 1 1 7 GLY O O 11.509 5.439 -11.974 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 12 . 3132 . 1 1 8 . C C 8.212 6.364 -9.660 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 12 . 3133 . 1 1 8 . CA C 9.193 6.440 -10.822 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 12 . 3134 . 1 1 8 . CB C 8.742 7.503 -11.824 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 12 . 3135 . 1 1 8 . CD C 10.665 8.423 -13.155 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 12 . 3136 . 1 1 8 . CE C 10.097 8.973 -14.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 12 . 3137 . 1 1 8 . CG C 9.715 8.663 -11.991 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 12 . 3138 . 1 1 8 . CH C 11.283 8.919 -16.643 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 12 . 3139 . 1 1 8 . CH3 C 11.806 9.856 -17.705 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 12 . 3140 . 1 1 8 . H H 8.531 4.534 -11.536 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 12 . 3141 . 1 1 8 . HB2 H 8.597 7.044 -12.801 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3142 . 1 1 8 . HB3 H 7.782 7.915 -11.510 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3143 . 1 1 8 . HCA H 10.165 6.731 -10.420 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 12 . 3144 . 1 1 8 . HD2 H 11.620 8.909 -12.951 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3145 . 1 1 8 . HD3 H 10.839 7.353 -13.269 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 12 . 3146 . 1 1 8 . HE2 H 9.519 8.198 -14.956 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3147 . 1 1 8 . HE3 H 9.432 9.809 -14.237 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3148 . 1 1 8 . HG2 H 9.158 9.583 -12.172 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3149 . 1 1 8 . HG3 H 10.297 8.784 -11.078 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3150 . 1 1 8 . HH31 H 11.273 9.681 -18.640 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 12 . 3151 . 1 1 8 . HH32 H 11.651 10.887 -17.388 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 12 . 3152 . 1 1 8 . HH33 H 12.870 9.677 -17.856 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 12 . 3153 . 1 1 8 . HZ H 11.065 10.433 -15.537 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 12 . 3154 . 1 1 8 . N N 9.333 5.146 -11.479 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 12 . 3155 . 1 1 8 . NZ N 11.169 9.442 -15.375 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 12 . 3156 . 1 1 8 . O O 7.238 5.610 -9.702 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 12 . 3157 . 1 1 8 . OH O 10.952 7.705 -16.855 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 12 . 3158 . 1 1 9 THR C C 6.792 8.456 -7.386 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 12 . 3159 . 1 1 9 THR CA C 7.612 7.173 -7.444 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 12 . 3160 . 1 1 9 THR CB C 8.431 7.041 -6.146 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 12 . 3161 . 1 1 9 THR CG2 C 7.854 5.957 -5.249 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3162 . 1 1 9 THR H H 9.264 7.729 -8.645 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 12 . 3163 . 1 1 9 THR HA H 6.940 6.330 -7.507 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 12 . 3164 . 1 1 9 THR HB H 8.393 7.983 -5.617 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 12 . 3165 . 1 1 9 THR HG1 H 10.363 7.437 -6.129 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3166 . 1 1 9 THR HG21 H 6.783 5.917 -5.375 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 12 . 3167 . 1 1 9 THR HG22 H 8.284 5.002 -5.516 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 12 . 3168 . 1 1 9 THR HG23 H 8.087 6.181 -4.218 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 12 . 3169 . 1 1 9 THR N N 8.472 7.150 -8.620 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 12 . 3170 . 1 1 9 THR O O 6.854 9.284 -8.296 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 12 . 3171 . 1 1 9 THR OG1 O 9.795 6.735 -6.457 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3172 . 1 1 10 TRP C C 4.438 9.743 -4.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 12 . 3173 . 1 1 10 TRP CA C 5.194 9.801 -6.137 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 12 . 3174 . 1 1 10 TRP CB C 4.206 9.932 -7.298 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 12 . 3175 . 1 1 10 TRP CD1 C 2.605 7.954 -6.999 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 12 . 3176 . 1 1 10 TRP CD2 C 3.856 7.853 -8.853 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3177 . 1 1 10 TRP CE2 C 3.026 6.716 -8.809 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3178 . 1 1 10 TRP CE3 C 4.731 8.006 -9.932 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3179 . 1 1 10 TRP CG C 3.570 8.632 -7.686 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 12 . 3180 . 1 1 10 TRP CH2 C 3.915 5.914 -10.845 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 12 . 3181 . 1 1 10 TRP CZ2 C 3.048 5.739 -9.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 12 . 3182 . 1 1 10 TRP CZ3 C 4.752 7.035 -10.916 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 12 . 3183 . 1 1 10 TRP H H 6.019 7.920 -5.622 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 12 . 3184 . 1 1 10 TRP HA H 5.844 10.663 -6.130 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 12 . 3185 . 1 1 10 TRP HB2 H 3.421 10.617 -7.018 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3186 . 1 1 10 TRP HB3 H 4.728 10.320 -8.162 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3187 . 1 1 10 TRP HD1 H 2.175 8.287 -6.067 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 12 . 3188 . 1 1 10 TRP HE1 H 1.604 6.146 -7.376 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 12 . 3189 . 1 1 10 TRP HE3 H 5.384 8.863 -10.004 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3190 . 1 1 10 TRP HH2 H 3.964 5.182 -11.635 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 12 . 3191 . 1 1 10 TRP HZ2 H 2.408 4.870 -9.762 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 12 . 3192 . 1 1 10 TRP HZ3 H 5.422 7.136 -11.756 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 12 . 3193 . 1 1 10 TRP N N 6.026 8.615 -6.313 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 12 . 3194 . 1 1 10 TRP NE1 N 2.273 6.801 -7.668 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 12 . 3195 . 1 1 10 TRP O O 4.206 10.771 -4.177 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 12 . 3196 . 1 1 11 ARG C C 1.961 9.029 -3.222 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 12 . 3197 . 1 1 11 ARG CA C 3.324 8.347 -3.161 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 12 . 3198 . 1 1 11 ARG CB C 4.130 8.898 -1.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 12 . 3199 . 1 1 11 ARG CD C 2.819 9.596 0.044 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 12 . 3200 . 1 1 11 ARG CG C 3.595 8.473 -0.627 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 12 . 3201 . 1 1 11 ARG CZ C 3.691 9.668 2.341 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 12 . 3202 . 1 1 11 ARG H H 4.269 7.756 -4.960 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 12 . 3203 . 1 1 11 ARG HA H 3.178 7.287 -3.021 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 12 . 3204 . 1 1 11 ARG HB2 H 5.151 8.553 -2.067 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3205 . 1 1 11 ARG HB3 H 4.120 9.976 -2.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3206 . 1 1 11 ARG HD2 H 2.595 10.350 -0.695 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3207 . 1 1 11 ARG HD3 H 1.898 9.193 0.438 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 12 . 3208 . 1 1 11 ARG HE H 4.014 11.065 0.955 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 12 . 3209 . 1 1 11 ARG HG2 H 2.939 7.626 -0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3210 . 1 1 11 ARG HG3 H 4.424 8.193 0.006 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3211 . 1 1 11 ARG HH11 H 2.576 8.040 1.907 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 12 . 3212 . 1 1 11 ARG HH12 H 3.197 8.104 3.522 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 12 . 3213 . 1 1 11 ARG HH21 H 4.838 11.159 3.080 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 12 . 3214 . 1 1 11 ARG HH22 H 4.483 9.880 4.189 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 12 . 3215 . 1 1 11 ARG N N 4.055 8.537 -4.409 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 12 . 3216 . 1 1 11 ARG NE N 3.574 10.208 1.133 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 12 . 3217 . 1 1 11 ARG NH1 N 3.106 8.509 2.613 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 12 . 3218 . 1 1 11 ARG NH2 N 4.395 10.287 3.281 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 12 . 3219 . 1 1 11 ARG O O 1.865 10.256 -3.175 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 12 . 3220 . 1 1 12 THR C C -1.236 8.412 -2.131 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 12 . 3221 . 1 1 12 THR CA C -0.451 8.750 -3.394 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 12 . 3222 . 1 1 12 THR CB C -1.206 8.198 -4.618 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 12 . 3223 . 1 1 12 THR CG2 C -1.050 6.688 -4.713 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3224 . 1 1 12 THR H H 1.047 7.256 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 12 . 3225 . 1 1 12 THR HA H -0.389 9.825 -3.490 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 12 . 3226 . 1 1 12 THR HB H -0.791 8.645 -5.509 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 12 . 3227 . 1 1 12 THR HG1 H -2.688 9.484 -4.421 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3228 . 1 1 12 THR HG21 H -1.564 6.328 -5.593 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 12 . 3229 . 1 1 12 THR HG22 H -0.002 6.438 -4.781 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 12 . 3230 . 1 1 12 THR HG23 H -1.474 6.225 -3.834 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 12 . 3231 . 1 1 12 THR N N 0.907 8.225 -3.325 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 12 . 3232 . 1 1 12 THR O O -1.999 9.234 -1.624 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 12 . 3233 . 1 1 12 THR OG1 O -2.595 8.535 -4.529 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 12 . 3234 . 1 1 13 . C C -0.739 6.354 0.663 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 12 . 3235 . 1 1 13 . CA C -1.731 6.748 -0.424 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 12 . 3236 . 1 1 13 . CB C -2.656 5.572 -0.743 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 12 . 3237 . 1 1 13 . CD C -4.943 4.538 -0.598 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 12 . 3238 . 1 1 13 . CE C -6.413 4.794 -0.311 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 12 . 3239 . 1 1 13 . CG C -4.093 5.758 -0.275 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 12 . 3240 . 1 1 13 . CH C -7.548 2.642 -0.833 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 12 . 3241 . 1 1 13 . CH3 C -6.973 1.602 -1.765 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 12 . 3242 . 1 1 13 . H H -0.402 6.568 -2.093 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 12 . 3243 . 1 1 13 . HB2 H -2.675 5.404 -1.820 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3244 . 1 1 13 . HB3 H -2.266 4.665 -0.278 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3245 . 1 1 13 . HCA H -2.335 7.572 -0.043 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 12 . 3246 . 1 1 13 . HD2 H -4.825 4.281 -1.651 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 12 . 3247 . 1 1 13 . HD3 H -4.608 3.692 0.002 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 12 . 3248 . 1 1 13 . HE2 H -6.624 4.579 0.736 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3249 . 1 1 13 . HE3 H -6.643 5.844 -0.496 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 12 . 3250 . 1 1 13 . HG2 H -4.106 5.923 0.804 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3251 . 1 1 13 . HG3 H -4.526 6.630 -0.764 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3252 . 1 1 13 . HH31 H -7.252 1.839 -2.792 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 12 . 3253 . 1 1 13 . HH32 H -5.886 1.598 -1.675 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 12 . 3254 . 1 1 13 . HH33 H -7.364 0.621 -1.500 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 12 . 3255 . 1 1 13 . HZ H -8.223 4.367 -1.196 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 12 . 3256 . 1 1 13 . N N -1.043 7.197 -1.629 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 12 . 3257 . 1 1 13 . NZ N -7.301 3.954 -1.161 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 12 . 3258 . 1 1 13 . O O 0.460 6.600 0.539 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 12 . 3259 . 1 1 13 . OH O -8.232 2.371 0.212 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 12 . 3260 . 1 1 14 GLN C C -0.191 3.805 2.808 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 12 . 3261 . 1 1 14 GLN CA C -0.406 5.314 2.838 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 12 . 3262 . 1 1 14 GLN CB C -1.035 5.727 4.169 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 12 . 3263 . 1 1 14 GLN CD C -1.458 7.969 5.254 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 12 . 3264 . 1 1 14 GLN CG C -0.417 6.978 4.773 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 12 . 3265 . 1 1 14 GLN H H -2.212 5.575 1.766 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 12 . 3266 . 1 1 14 GLN HA H 0.551 5.804 2.735 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 12 . 3267 . 1 1 14 GLN HB2 H -2.087 5.909 4.017 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3268 . 1 1 14 GLN HB3 H -0.915 4.918 4.876 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3269 . 1 1 14 GLN HE21 H -0.835 9.309 3.924 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 12 . 3270 . 1 1 14 GLN HE22 H -2.144 9.807 4.934 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 12 . 3271 . 1 1 14 GLN HG2 H 0.201 6.692 5.611 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 12 . 3272 . 1 1 14 GLN HG3 H 0.196 7.458 4.023 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 12 . 3273 . 1 1 14 GLN N N -1.248 5.742 1.727 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 12 . 3274 . 1 1 14 GLN NE2 N -1.481 9.148 4.644 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 12 . 3275 . 1 1 14 GLN O O -0.906 3.053 3.470 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 12 . 3276 . 1 1 14 GLN OE1 O -2.233 7.678 6.166 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 12 . 3277 . 1 1 15 CYS C C 1.281 1.314 3.296 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 12 . 3278 . 1 1 15 CYS CA C 1.108 1.948 1.919 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 12 . 3279 . 1 1 15 CYS CB C 2.377 1.747 1.090 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 12 . 3280 . 1 1 15 CYS H H 1.334 4.017 1.532 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 12 . 3281 . 1 1 15 CYS HA H 0.280 1.468 1.417 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 12 . 3282 . 1 1 15 CYS HB2 H 2.507 2.598 0.435 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 12 . 3283 . 1 1 15 CYS HB3 H 3.225 1.678 1.755 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 12 . 3284 . 1 1 15 CYS N N 0.798 3.368 2.036 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 12 . 3285 . 1 1 15 CYS O O 0.450 0.518 3.732 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 12 . 3286 . 1 1 15 CYS SG S 2.360 0.249 0.053 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 12 . 3287 . 1 1 16 NH2 HN1 H 3.244 1.419 3.642 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 12 . 3288 . 1 1 16 NH2 N N 2.310 1.616 4.011 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 13 . 3289 . 1 1 1 ACE C C 1.513 0.939 -2.262 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 13 . 3290 . 1 1 1 ACE CH3 C 2.095 -0.013 -1.237 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 13 . 3291 . 1 1 1 ACE H1 H 3.083 -0.263 -1.624 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 13 . 3292 . 1 1 1 ACE H2 H 1.256 -0.706 -1.169 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 13 . 3293 . 1 1 1 ACE O O 0.313 0.911 -2.535 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 13 . 3294 . 1 1 2 TRP C C 2.006 2.158 -5.234 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 13 . 3295 . 1 1 2 TRP CA C 1.926 2.752 -3.832 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 13 . 3296 . 1 1 2 TRP CB C 2.778 4.020 -3.752 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 13 . 3297 . 1 1 2 TRP CD1 C 2.058 4.698 -1.388 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 13 . 3298 . 1 1 2 TRP CD2 C 4.264 4.830 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3299 . 1 1 2 TRP CE2 C 4.002 5.226 -0.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3300 . 1 1 2 TRP CE3 C 5.584 4.832 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3301 . 1 1 2 TRP CG C 3.006 4.496 -2.349 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 13 . 3302 . 1 1 2 TRP CH2 C 6.297 5.612 -0.026 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 13 . 3303 . 1 1 2 TRP CZ2 C 5.013 5.621 0.447 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 13 . 3304 . 1 1 2 TRP CZ3 C 6.587 5.223 -1.340 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 13 . 3305 . 1 1 2 TRP H H 3.309 1.760 -2.572 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 13 . 3306 . 1 1 2 TRP HA H 0.898 3.006 -3.619 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 13 . 3307 . 1 1 2 TRP HB2 H 3.742 3.828 -4.200 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3308 . 1 1 2 TRP HB3 H 2.283 4.811 -4.297 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3309 . 1 1 2 TRP HD1 H 1.001 4.534 -1.533 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 13 . 3310 . 1 1 2 TRP HE1 H 2.179 5.351 0.604 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 13 . 3311 . 1 1 2 TRP HE3 H 5.828 4.535 -3.217 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3312 . 1 1 2 TRP HH2 H 7.112 5.911 0.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 13 . 3313 . 1 1 2 TRP HZ2 H 4.806 5.922 1.463 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 13 . 3314 . 1 1 2 TRP HZ3 H 7.614 5.231 -1.674 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 13 . 3315 . 1 1 2 TRP N N 2.364 1.785 -2.831 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 13 . 3316 . 1 1 2 TRP NE1 N 2.649 5.138 -0.229 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 13 . 3317 . 1 1 2 TRP O O 2.219 0.957 -5.400 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 13 . 3318 . 1 1 3 LYS C C 3.260 2.845 -8.237 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 13 . 3319 . 1 1 3 LYS CA C 1.887 2.567 -7.631 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 13 . 3320 . 1 1 3 LYS CB C 0.804 3.269 -8.452 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 13 . 3321 . 1 1 3 LYS CD C -0.459 3.391 -10.620 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 13 . 3322 . 1 1 3 LYS CE C -0.913 2.489 -11.757 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 13 . 3323 . 1 1 3 LYS CG C 0.750 2.816 -9.900 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 13 . 3324 . 1 1 3 LYS H H 1.667 3.954 -6.046 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 13 . 3325 . 1 1 3 LYS HA H 1.709 1.503 -7.649 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 13 . 3326 . 1 1 3 LYS HB2 H -0.158 3.074 -7.999 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3327 . 1 1 3 LYS HB3 H 0.989 4.333 -8.436 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3328 . 1 1 3 LYS HD2 H -1.270 3.498 -9.915 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3329 . 1 1 3 LYS HD3 H -0.200 4.361 -11.023 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 13 . 3330 . 1 1 3 LYS HE2 H -0.068 2.287 -12.397 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3331 . 1 1 3 LYS HE3 H -1.278 1.562 -11.339 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3332 . 1 1 3 LYS HG2 H 1.645 3.147 -10.405 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3333 . 1 1 3 LYS HG3 H 0.694 1.737 -9.930 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3334 . 1 1 3 LYS HZ1 H -1.780 3.029 -13.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 13 . 3335 . 1 1 3 LYS HZ2 H -2.903 2.647 -12.372 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 13 . 3336 . 1 1 3 LYS HZ3 H -2.081 4.125 -12.326 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 13 . 3337 . 1 1 3 LYS N N 1.834 3.007 -6.241 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 13 . 3338 . 1 1 3 LYS NZ N -1.995 3.117 -12.565 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 13 . 3339 . 1 1 3 LYS O O 3.942 3.793 -7.847 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 13 . 3340 . 1 1 4 THR C C 4.797 2.136 -11.372 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 13 . 3341 . 1 1 4 THR CA C 4.948 2.171 -9.855 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 13 . 3342 . 1 1 4 THR CB C 5.937 1.073 -9.423 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 13 . 3343 . 1 1 4 THR CG2 C 7.345 1.394 -9.901 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3344 . 1 1 4 THR H H 3.070 1.277 -9.462 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 13 . 3345 . 1 1 4 THR HA H 5.356 3.128 -9.565 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 13 . 3346 . 1 1 4 THR HB H 5.627 0.136 -9.866 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 13 . 3347 . 1 1 4 THR HG1 H 5.781 0.021 -7.761 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3348 . 1 1 4 THR HG21 H 7.333 2.318 -10.460 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 13 . 3349 . 1 1 4 THR HG22 H 8.001 1.497 -9.048 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 13 . 3350 . 1 1 4 THR HG23 H 7.702 0.595 -10.535 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 13 . 3351 . 1 1 4 THR N N 3.658 2.014 -9.194 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 13 . 3352 . 1 1 4 THR O O 4.257 1.179 -11.929 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 13 . 3353 . 1 1 4 THR OG1 O 5.930 0.940 -7.998 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3354 . 1 1 5 ILE C C 6.408 3.996 -14.062 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 13 . 3355 . 1 1 5 ILE CA C 5.198 3.269 -13.486 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 13 . 3356 . 1 1 5 ILE CB C 3.916 3.994 -13.937 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 13 . 3357 . 1 1 5 ILE CD1 C 1.389 4.047 -13.638 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 13 . 3358 . 1 1 5 ILE CG1 C 2.687 3.357 -13.284 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3359 . 1 1 5 ILE CG2 C 3.793 3.959 -15.453 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3360 . 1 1 5 ILE H H 5.697 3.913 -11.533 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 13 . 3361 . 1 1 5 ILE HA H 5.176 2.263 -13.880 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 13 . 3362 . 1 1 5 ILE HB H 3.985 5.025 -13.629 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 13 . 3363 . 1 1 5 ILE HD11 H 0.820 3.420 -14.310 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 13 . 3364 . 1 1 5 ILE HD12 H 0.817 4.222 -12.739 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 13 . 3365 . 1 1 5 ILE HD13 H 1.602 4.990 -14.119 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 13 . 3366 . 1 1 5 ILE HG12 H 2.612 2.328 -13.598 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 13 . 3367 . 1 1 5 ILE HG13 H 2.801 3.393 -12.209 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 13 . 3368 . 1 1 5 ILE HG21 H 3.747 4.969 -15.833 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 13 . 3369 . 1 1 5 ILE HG22 H 4.651 3.455 -15.872 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 13 . 3370 . 1 1 5 ILE HG23 H 2.894 3.429 -15.729 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 13 . 3371 . 1 1 5 ILE N N 5.278 3.182 -12.034 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 13 . 3372 . 1 1 5 ILE O O 6.748 5.096 -13.626 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 13 . 3373 . 1 1 6 . C C 9.350 4.178 -14.676 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 13 . 3374 . 1 1 6 . CA C 8.226 3.962 -15.681 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 13 . 3375 . 1 1 6 . CB C 7.862 5.286 -16.356 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 13 . 3376 . 1 1 6 . CD C 6.053 6.546 -17.563 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 13 . 3377 . 1 1 6 . CE C 5.296 6.998 -16.325 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 13 . 3378 . 1 1 6 . CG C 6.709 5.190 -17.347 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 13 . 3379 . 1 1 6 . CH C 5.488 8.704 -14.523 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 13 . 3380 . 1 1 6 . CH3 C 4.012 8.847 -14.239 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 13 . 3381 . 1 1 6 . H H 6.724 2.473 -15.355 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 13 . 3382 . 1 1 6 . HB2 H 7.591 6.020 -15.597 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3383 . 1 1 6 . HB3 H 8.731 5.672 -16.890 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3384 . 1 1 6 . HCA H 8.588 3.271 -16.443 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 13 . 3385 . 1 1 6 . HD2 H 6.818 7.285 -17.804 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3386 . 1 1 6 . HD3 H 5.358 6.484 -18.401 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 13 . 3387 . 1 1 6 . HE2 H 4.242 7.128 -16.569 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3388 . 1 1 6 . HE3 H 5.374 6.235 -15.550 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3389 . 1 1 6 . HG2 H 7.080 4.818 -18.303 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3390 . 1 1 6 . HG3 H 5.964 4.492 -16.970 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3391 . 1 1 6 . HH31 H 3.441 8.512 -15.105 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 13 . 3392 . 1 1 6 . HH32 H 3.749 8.237 -13.373 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 13 . 3393 . 1 1 6 . HH33 H 3.780 9.890 -14.032 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 13 . 3394 . 1 1 6 . HZ H 6.834 8.247 -15.765 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 13 . 3395 . 1 1 6 . N N 7.054 3.375 -15.043 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 13 . 3396 . 1 1 6 . NZ N 5.825 8.282 -15.788 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 13 . 3397 . 1 1 6 . O O 10.097 5.152 -14.764 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 13 . 3398 . 1 1 6 . OH O 6.411 8.951 -13.675 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 13 . 3399 . 1 1 7 GLY C C 10.508 4.726 -12.029 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 13 . 3400 . 1 1 7 GLY CA C 10.502 3.372 -12.709 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 13 . 3401 . 1 1 7 GLY H H 8.840 2.507 -13.698 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 13 . 3402 . 1 1 7 GLY HA2 H 10.344 2.606 -11.963 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 13 . 3403 . 1 1 7 GLY HA3 H 11.462 3.212 -13.177 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 13 . 3404 . 1 1 7 GLY N N 9.464 3.263 -13.718 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 13 . 3405 . 1 1 7 GLY O O 11.518 5.430 -12.043 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 13 . 3406 . 1 1 8 . C C 8.264 6.284 -9.591 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 13 . 3407 . 1 1 8 . CA C 9.255 6.372 -10.744 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 13 . 3408 . 1 1 8 . CB C 8.828 7.467 -11.722 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 13 . 3409 . 1 1 8 . CD C 10.701 8.514 -13.031 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 13 . 3410 . 1 1 8 . CE C 10.231 9.409 -14.167 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 13 . 3411 . 1 1 8 . CG C 9.795 8.640 -11.814 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 13 . 3412 . 1 1 8 . CH C 12.162 10.202 -15.523 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 13 . 3413 . 1 1 8 . CH3 C 11.807 10.731 -16.890 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 13 . 3414 . 1 1 8 . H H 8.585 4.468 -11.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 13 . 3415 . 1 1 8 . HB2 H 8.721 7.043 -12.721 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3416 . 1 1 8 . HB3 H 7.854 7.859 -11.427 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3417 . 1 1 8 . HCA H 10.229 6.637 -10.328 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 13 . 3418 . 1 1 8 . HD2 H 11.719 8.794 -12.756 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3419 . 1 1 8 . HD3 H 10.708 7.480 -13.373 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 13 . 3420 . 1 1 8 . HE2 H 10.022 8.802 -15.046 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3421 . 1 1 8 . HE3 H 9.309 9.914 -13.874 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3422 . 1 1 8 . HG2 H 9.232 9.572 -11.886 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3423 . 1 1 8 . HG3 H 10.410 8.675 -10.915 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3424 . 1 1 8 . HH31 H 11.499 9.905 -17.532 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 13 . 3425 . 1 1 8 . HH32 H 10.990 11.447 -16.801 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 13 . 3426 . 1 1 8 . HH33 H 12.675 11.223 -17.326 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 13 . 3427 . 1 1 8 . HZ H 10.781 11.282 -14.824 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 13 . 3428 . 1 1 8 . N N 9.379 5.092 -11.432 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 13 . 3429 . 1 1 8 . NZ N 11.246 10.437 -14.523 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 13 . 3430 . 1 1 8 . O O 7.324 5.488 -9.624 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 13 . 3431 . 1 1 8 . OH O 13.236 9.565 -15.254 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 13 . 3432 . 1 1 9 THR C C 6.797 8.411 -7.337 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 13 . 3433 . 1 1 9 THR CA C 7.605 7.121 -7.402 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 13 . 3434 . 1 1 9 THR CB C 8.408 6.965 -6.097 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 13 . 3435 . 1 1 9 THR CG2 C 7.789 5.901 -5.205 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3436 . 1 1 9 THR H H 9.245 7.716 -8.600 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 13 . 3437 . 1 1 9 THR HA H 6.926 6.285 -7.484 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 13 . 3438 . 1 1 9 THR HB H 8.394 7.908 -5.569 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 13 . 3439 . 1 1 9 THR HG1 H 10.167 6.208 -5.623 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3440 . 1 1 9 THR HG21 H 6.751 6.141 -5.024 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 13 . 3441 . 1 1 9 THR HG22 H 7.857 4.939 -5.692 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 13 . 3442 . 1 1 9 THR HG23 H 8.319 5.866 -4.264 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 13 . 3443 . 1 1 9 THR N N 8.479 7.106 -8.569 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 13 . 3444 . 1 1 9 THR O O 6.867 9.245 -8.241 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 13 . 3445 . 1 1 9 THR OG1 O 9.765 6.616 -6.394 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3446 . 1 1 10 TRP C C 4.447 9.701 -4.764 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 13 . 3447 . 1 1 10 TRP CA C 5.208 9.761 -6.083 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 13 . 3448 . 1 1 10 TRP CB C 4.226 9.911 -7.245 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 13 . 3449 . 1 1 10 TRP CD1 C 2.606 7.945 -6.965 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 13 . 3450 . 1 1 10 TRP CD2 C 3.860 7.847 -8.818 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3451 . 1 1 10 TRP CE2 C 3.020 6.717 -8.785 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3452 . 1 1 10 TRP CE3 C 4.739 8.001 -9.894 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3453 . 1 1 10 TRP CG C 3.579 8.620 -7.646 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 13 . 3454 . 1 1 10 TRP CH2 C 3.905 5.925 -10.826 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 13 . 3455 . 1 1 10 TRP CZ2 C 3.035 5.749 -9.784 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 13 . 3456 . 1 1 10 TRP CZ3 C 4.753 7.039 -10.886 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 13 . 3457 . 1 1 10 TRP H H 6.016 7.870 -5.578 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 13 . 3458 . 1 1 10 TRP HA H 5.867 10.618 -6.066 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 13 . 3459 . 1 1 10 TRP HB2 H 3.445 10.601 -6.963 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3460 . 1 1 10 TRP HB3 H 4.754 10.301 -8.105 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3461 . 1 1 10 TRP HD1 H 2.177 8.275 -6.031 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 13 . 3462 . 1 1 10 TRP HE1 H 1.590 6.149 -7.358 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 13 . 3463 . 1 1 10 TRP HE3 H 5.399 8.853 -9.958 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3464 . 1 1 10 TRP HH2 H 3.949 5.198 -11.623 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 13 . 3465 . 1 1 10 TRP HZ2 H 2.387 4.884 -9.753 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 13 . 3466 . 1 1 10 TRP HZ3 H 5.425 7.141 -11.725 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 13 . 3467 . 1 1 10 TRP N N 6.030 8.570 -6.265 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 13 . 3468 . 1 1 10 TRP NE1 N 2.265 6.799 -7.645 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 13 . 3469 . 1 1 10 TRP O O 4.222 10.725 -4.118 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 13 . 3470 . 1 1 11 ARG C C 1.959 8.997 -3.182 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 13 . 3471 . 1 1 11 ARG CA C 3.317 8.303 -3.123 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 13 . 3472 . 1 1 11 ARG CB C 4.124 8.838 -1.939 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 13 . 3473 . 1 1 11 ARG CD C 2.812 9.532 0.089 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 13 . 3474 . 1 1 11 ARG CG C 3.579 8.407 -0.587 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 13 . 3475 . 1 1 11 ARG CZ C 2.162 10.132 2.383 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 13 . 3476 . 1 1 11 ARG H H 4.262 7.716 -4.924 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 13 . 3477 . 1 1 11 ARG HA H 3.160 7.243 -2.992 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 13 . 3478 . 1 1 11 ARG HB2 H 5.141 8.483 -2.022 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3479 . 1 1 11 ARG HB3 H 4.122 9.916 -1.976 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3480 . 1 1 11 ARG HD2 H 3.417 10.426 0.066 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3481 . 1 1 11 ARG HD3 H 1.896 9.703 -0.457 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 13 . 3482 . 1 1 11 ARG HE H 2.509 8.274 1.746 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 13 . 3483 . 1 1 11 ARG HG2 H 2.915 7.567 -0.727 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3484 . 1 1 11 ARG HG3 H 4.404 8.114 0.046 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3485 . 1 1 11 ARG HH11 H 2.335 11.693 1.112 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 13 . 3486 . 1 1 11 ARG HH12 H 1.877 12.102 2.733 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 13 . 3487 . 1 1 11 ARG HH21 H 1.907 8.800 3.882 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 13 . 3488 . 1 1 11 ARG HH22 H 1.635 10.456 4.307 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 13 . 3489 . 1 1 11 ARG N N 4.054 8.495 -4.367 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 13 . 3490 . 1 1 11 ARG NE N 2.486 9.216 1.477 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 13 . 3491 . 1 1 11 ARG NH1 N 2.122 11.415 2.049 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 13 . 3492 . 1 1 11 ARG NH2 N 1.878 9.766 3.626 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 13 . 3493 . 1 1 11 ARG O O 1.873 10.224 -3.124 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 13 . 3494 . 1 1 12 THR C C -1.249 8.392 -2.115 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 13 . 3495 . 1 1 12 THR CA C -0.454 8.740 -3.369 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 13 . 3496 . 1 1 12 THR CB C -1.207 8.210 -4.604 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 13 . 3497 . 1 1 12 THR CG2 C -1.063 6.700 -4.718 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3498 . 1 1 12 THR H H 1.032 7.234 -3.342 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 13 . 3499 . 1 1 12 THR HA H -0.382 9.816 -3.451 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 13 . 3500 . 1 1 12 THR HB H -0.783 8.665 -5.488 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 13 . 3501 . 1 1 12 THR HG1 H -3.085 8.083 -5.194 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3502 . 1 1 12 THR HG21 H -1.573 6.356 -5.605 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 13 . 3503 . 1 1 12 THR HG22 H -0.017 6.441 -4.781 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 13 . 3504 . 1 1 12 THR HG23 H -1.498 6.231 -3.848 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 13 . 3505 . 1 1 12 THR N N 0.899 8.203 -3.300 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 13 . 3506 . 1 1 12 THR O O -2.007 9.215 -1.602 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 13 . 3507 . 1 1 12 THR OG1 O -2.593 8.557 -4.519 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 13 . 3508 . 1 1 13 . C C -0.786 6.300 0.656 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 13 . 3509 . 1 1 13 . CA C -1.768 6.711 -0.433 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 13 . 3510 . 1 1 13 . CB C -2.697 5.544 -0.771 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 13 . 3511 . 1 1 13 . CD C -4.829 4.403 -0.082 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 13 . 3512 . 1 1 13 . CE C -5.295 4.270 1.360 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 13 . 3513 . 1 1 13 . CG C -4.140 5.739 -0.321 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 13 . 3514 . 1 1 13 . CH C -6.378 2.101 0.799 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 13 . 3515 . 1 1 13 . CH3 C -7.637 1.745 0.047 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 13 . 3516 . 1 1 13 . H H -0.432 6.541 -2.096 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 13 . 3517 . 1 1 13 . HB2 H -2.703 5.382 -1.849 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3518 . 1 1 13 . HB3 H -2.321 4.633 -0.305 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3519 . 1 1 13 . HCA H -2.370 7.535 -0.047 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 13 . 3520 . 1 1 13 . HD2 H -5.690 4.315 -0.744 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 13 . 3521 . 1 1 13 . HD3 H -4.137 3.592 -0.306 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 13 . 3522 . 1 1 13 . HE2 H -4.462 3.951 1.984 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3523 . 1 1 13 . HE3 H -5.641 5.239 1.721 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 13 . 3524 . 1 1 13 . HG2 H -4.157 6.317 0.604 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3525 . 1 1 13 . HG3 H -4.687 6.289 -1.084 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3526 . 1 1 13 . HH31 H -7.582 2.144 -0.966 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 13 . 3527 . 1 1 13 . HH32 H -7.741 0.660 0.004 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 13 . 3528 . 1 1 13 . HH33 H -8.500 2.172 0.558 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 13 . 3529 . 1 1 13 . HZ H -6.474 2.990 2.462 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 13 . 3530 . 1 1 13 . N N -1.070 7.169 -1.627 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 13 . 3531 . 1 1 13 . NZ N -6.403 3.284 1.498 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 13 . 3532 . 1 1 13 . O O 0.416 6.540 0.544 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 13 . 3533 . 1 1 13 . OH O -5.324 1.379 0.820 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 13 . 3534 . 1 1 14 GLN C C -0.262 3.727 2.775 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 13 . 3535 . 1 1 14 GLN CA C -0.473 5.236 2.822 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 13 . 3536 . 1 1 14 GLN CB C -1.110 5.633 4.155 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 13 . 3537 . 1 1 14 GLN CD C -1.143 7.705 5.599 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 13 . 3538 . 1 1 14 GLN CG C -1.465 7.108 4.244 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 13 . 3539 . 1 1 14 GLN H H -2.271 5.518 1.741 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 13 . 3540 . 1 1 14 GLN HA H 0.486 5.723 2.733 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 13 . 3541 . 1 1 14 GLN HB2 H -2.014 5.058 4.293 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3542 . 1 1 14 GLN HB3 H -0.420 5.402 4.953 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3543 . 1 1 14 GLN HE21 H 0.761 7.163 5.412 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 13 . 3544 . 1 1 14 GLN HE22 H 0.356 7.985 6.876 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 13 . 3545 . 1 1 14 GLN HG2 H -0.909 7.645 3.490 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 13 . 3546 . 1 1 14 GLN HG3 H -2.523 7.223 4.059 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 13 . 3547 . 1 1 14 GLN N N -1.306 5.680 1.711 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 13 . 3548 . 1 1 14 GLN NE2 N 0.118 7.607 6.004 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 13 . 3549 . 1 1 14 GLN O O -0.975 2.969 3.434 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 13 . 3550 . 1 1 14 GLN OE1 O -2.016 8.248 6.276 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 13 . 3551 . 1 1 15 CYS C C 1.206 1.226 3.227 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 13 . 3552 . 1 1 15 CYS CA C 1.025 1.875 1.857 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 13 . 3553 . 1 1 15 CYS CB C 2.289 1.681 1.017 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 13 . 3554 . 1 1 15 CYS H H 1.254 3.948 1.491 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 13 . 3555 . 1 1 15 CYS HA H 0.195 1.404 1.357 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 13 . 3556 . 1 1 15 CYS HB2 H 2.405 2.528 0.355 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 13 . 3557 . 1 1 15 CYS HB3 H 3.144 1.625 1.674 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 13 . 3558 . 1 1 15 CYS N N 0.720 3.295 1.992 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 13 . 3559 . 1 1 15 CYS O O 1.345 1.915 4.237 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 13 . 3560 . 1 1 15 CYS SG S 2.276 0.176 -0.008 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 13 . 3561 . 1 1 16 NH2 HN1 H 2.003 -0.581 2.933 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 13 . 3562 . 1 1 16 NH2 N N 1.215 -0.060 3.326 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 14 . 3563 . 1 1 1 ACE C C 1.490 0.957 -2.260 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 14 . 3564 . 1 1 1 ACE CH3 C 2.071 0.004 -1.235 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 14 . 3565 . 1 1 1 ACE H1 H 3.065 -0.236 -1.614 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 14 . 3566 . 1 1 1 ACE H2 H 1.240 -0.699 -1.179 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 14 . 3567 . 1 1 1 ACE O O 0.290 0.930 -2.533 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 14 . 3568 . 1 1 2 TRP C C 1.985 2.178 -5.231 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 14 . 3569 . 1 1 2 TRP CA C 1.905 2.771 -3.828 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 14 . 3570 . 1 1 2 TRP CB C 2.756 4.039 -3.747 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 14 . 3571 . 1 1 2 TRP CD1 C 2.037 4.714 -1.382 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 14 . 3572 . 1 1 2 TRP CD2 C 4.242 4.846 -1.746 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3573 . 1 1 2 TRP CE2 C 3.981 5.240 -0.419 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3574 . 1 1 2 TRP CE3 C 5.564 4.847 -2.202 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3575 . 1 1 2 TRP CG C 2.985 4.513 -2.344 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 14 . 3576 . 1 1 2 TRP CH2 C 6.278 5.625 -0.020 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 14 . 3577 . 1 1 2 TRP CZ2 C 4.993 5.633 0.454 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 14 . 3578 . 1 1 2 TRP CZ3 C 6.566 5.238 -1.334 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 14 . 3579 . 1 1 2 TRP H H 3.287 1.777 -2.569 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 14 . 3580 . 1 1 2 TRP HA H 0.876 3.025 -3.615 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 14 . 3581 . 1 1 2 TRP HB2 H 3.720 3.847 -4.196 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3582 . 1 1 2 TRP HB3 H 2.262 4.831 -4.290 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3583 . 1 1 2 TRP HD1 H 0.979 4.550 -1.527 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 14 . 3584 . 1 1 2 TRP HE1 H 2.159 5.365 0.611 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 14 . 3585 . 1 1 2 TRP HE3 H 5.806 4.552 -3.211 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3586 . 1 1 2 TRP HH2 H 7.092 5.922 0.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 14 . 3587 . 1 1 2 TRP HZ2 H 4.787 5.934 1.470 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 14 . 3588 . 1 1 2 TRP HZ3 H 7.593 5.246 -1.669 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 14 . 3589 . 1 1 2 TRP N N 2.342 1.803 -2.829 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 14 . 3590 . 1 1 2 TRP NE1 N 2.629 5.152 -0.223 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 14 . 3591 . 1 1 2 TRP O O 2.198 0.977 -5.397 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 14 . 3592 . 1 1 3 LYS C C 3.245 2.858 -8.229 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 14 . 3593 . 1 1 3 LYS CA C 1.869 2.589 -7.628 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 14 . 3594 . 1 1 3 LYS CB C 0.792 3.299 -8.451 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 14 . 3595 . 1 1 3 LYS CD C -0.711 2.497 -10.297 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 14 . 3596 . 1 1 3 LYS CE C -0.751 1.510 -11.453 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 14 . 3597 . 1 1 3 LYS CG C 0.717 2.824 -9.892 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 14 . 3598 . 1 1 3 LYS H H 1.647 3.975 -6.042 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 14 . 3599 . 1 1 3 LYS HA H 1.682 1.526 -7.647 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 14 . 3600 . 1 1 3 LYS HB2 H -0.168 3.131 -7.987 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3601 . 1 1 3 LYS HB3 H 1.000 4.359 -8.455 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3602 . 1 1 3 LYS HD2 H -1.226 2.065 -9.452 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3603 . 1 1 3 LYS HD3 H -1.209 3.409 -10.595 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 14 . 3604 . 1 1 3 LYS HE2 H 0.255 1.357 -11.813 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3605 . 1 1 3 LYS HE3 H -1.153 0.574 -11.097 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3606 . 1 1 3 LYS HG2 H 1.094 3.602 -10.538 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3607 . 1 1 3 LYS HG3 H 1.324 1.937 -10.001 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3608 . 1 1 3 LYS HZ1 H -1.943 1.205 -13.142 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 14 . 3609 . 1 1 3 LYS HZ2 H -2.412 2.533 -12.203 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 14 . 3610 . 1 1 3 LYS HZ3 H -1.041 2.636 -13.190 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 14 . 3611 . 1 1 3 LYS N N 1.814 3.028 -6.239 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 14 . 3612 . 1 1 3 LYS NZ N -1.596 2.006 -12.576 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 14 . 3613 . 1 1 3 LYS O O 3.924 3.813 -7.851 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 14 . 3614 . 1 1 4 THR C C 4.801 2.117 -11.342 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 14 . 3615 . 1 1 4 THR CA C 4.944 2.158 -9.824 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 14 . 3616 . 1 1 4 THR CB C 5.926 1.056 -9.383 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 14 . 3617 . 1 1 4 THR CG2 C 7.337 1.365 -9.858 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3618 . 1 1 4 THR H H 3.064 1.270 -9.429 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 14 . 3619 . 1 1 4 THR HA H 5.356 3.114 -9.537 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 14 . 3620 . 1 1 4 THR HB H 5.612 0.118 -9.821 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 14 . 3621 . 1 1 4 THR HG1 H 6.122 1.780 -7.559 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3622 . 1 1 4 THR HG21 H 7.677 2.283 -9.402 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 14 . 3623 . 1 1 4 THR HG22 H 7.997 0.557 -9.577 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 14 . 3624 . 1 1 4 THR HG23 H 7.340 1.475 -10.932 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 14 . 3625 . 1 1 4 THR N N 3.650 2.011 -9.170 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 14 . 3626 . 1 1 4 THR O O 4.282 1.149 -11.900 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 14 . 3627 . 1 1 4 THR OG1 O 5.912 0.931 -7.957 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3628 . 1 1 5 ILE C C 6.400 3.981 -14.030 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 14 . 3629 . 1 1 5 ILE CA C 5.188 3.254 -13.456 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 14 . 3630 . 1 1 5 ILE CB C 3.907 3.977 -13.914 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 14 . 3631 . 1 1 5 ILE CD1 C 1.391 4.096 -13.544 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 14 . 3632 . 1 1 5 ILE CG1 C 2.682 3.378 -13.220 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3633 . 1 1 5 ILE CG2 C 3.760 3.889 -15.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3634 . 1 1 5 ILE H H 5.666 3.911 -11.503 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 14 . 3635 . 1 1 5 ILE HA H 5.169 2.247 -13.847 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 14 . 3636 . 1 1 5 ILE HB H 3.992 5.018 -13.643 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 14 . 3637 . 1 1 5 ILE HD11 H 1.613 5.017 -14.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 14 . 3638 . 1 1 5 ILE HD12 H 0.779 3.468 -14.174 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 14 . 3639 . 1 1 5 ILE HD13 H 0.861 4.315 -12.629 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 14 . 3640 . 1 1 5 ILE HG12 H 2.573 2.348 -13.521 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 14 . 3641 . 1 1 5 ILE HG13 H 2.827 3.422 -12.149 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 14 . 3642 . 1 1 5 ILE HG21 H 2.930 3.244 -15.671 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 14 . 3643 . 1 1 5 ILE HG22 H 3.580 4.875 -15.827 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 14 . 3644 . 1 1 5 ILE HG23 H 4.667 3.487 -15.853 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 14 . 3645 . 1 1 5 ILE N N 5.264 3.172 -12.004 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 14 . 3646 . 1 1 5 ILE O O 6.733 5.086 -13.601 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 14 . 3647 . 1 1 6 . C C 9.350 4.155 -14.629 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 14 . 3648 . 1 1 6 . CA C 8.228 3.941 -15.637 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 14 . 3649 . 1 1 6 . CB C 7.868 5.265 -16.312 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 14 . 3650 . 1 1 6 . CD C 6.137 6.520 -17.635 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 14 . 3651 . 1 1 6 . CE C 5.056 6.863 -16.621 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 14 . 3652 . 1 1 6 . CG C 6.755 5.160 -17.348 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 14 . 3653 . 1 1 6 . CH C 4.898 8.851 -15.130 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 14 . 3654 . 1 1 6 . CH3 C 4.265 10.214 -14.988 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 14 . 3655 . 1 1 6 . H H 6.729 2.449 -15.309 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 14 . 3656 . 1 1 6 . HB2 H 7.555 5.986 -15.557 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3657 . 1 1 6 . HB3 H 8.749 5.673 -16.809 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3658 . 1 1 6 . HCA H 8.592 3.249 -16.399 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 14 . 3659 . 1 1 6 . HD2 H 6.913 7.287 -17.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3660 . 1 1 6 . HD3 H 5.699 6.518 -18.633 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 14 . 3661 . 1 1 6 . HE2 H 4.097 6.485 -16.969 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3662 . 1 1 6 . HE3 H 5.286 6.385 -15.668 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3663 . 1 1 6 . HG2 H 7.159 4.750 -18.275 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3664 . 1 1 6 . HG3 H 5.980 4.489 -16.981 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3665 . 1 1 6 . HH31 H 3.950 10.363 -13.956 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 14 . 3666 . 1 1 6 . HH32 H 4.991 10.981 -15.261 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 14 . 3667 . 1 1 6 . HH33 H 3.399 10.283 -15.646 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 14 . 3668 . 1 1 6 . HZ H 5.736 8.796 -16.821 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 14 . 3669 . 1 1 6 . N N 7.054 3.355 -15.002 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 14 . 3670 . 1 1 6 . NZ N 4.942 8.332 -16.404 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 14 . 3671 . 1 1 6 . O O 10.099 5.127 -14.716 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 14 . 3672 . 1 1 6 . OH O 5.379 8.176 -14.159 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 14 . 3673 . 1 1 7 GLY C C 10.504 4.704 -11.981 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 14 . 3674 . 1 1 7 GLY CA C 10.494 3.348 -12.658 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 14 . 3675 . 1 1 7 GLY H H 8.834 2.487 -13.651 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 14 . 3676 . 1 1 7 GLY HA2 H 10.332 2.585 -11.911 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 14 . 3677 . 1 1 7 GLY HA3 H 11.455 3.184 -13.123 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 14 . 3678 . 1 1 7 GLY N N 9.460 3.241 -13.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 14 . 3679 . 1 1 7 GLY O O 11.528 5.387 -11.959 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 14 . 3680 . 1 1 8 . C C 8.252 6.298 -9.590 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 14 . 3681 . 1 1 8 . CA C 9.239 6.379 -10.747 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 14 . 3682 . 1 1 8 . CB C 8.808 7.468 -11.731 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 14 . 3683 . 1 1 8 . CD C 10.717 8.428 -13.055 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 14 . 3684 . 1 1 8 . CE C 10.547 9.542 -14.076 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 14 . 3685 . 1 1 8 . CG C 9.792 8.622 -11.862 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 14 . 3686 . 1 1 8 . CH C 12.371 9.842 -15.743 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 14 . 3687 . 1 1 8 . CH3 C 12.440 10.331 -17.169 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 14 . 3688 . 1 1 8 . H H 8.556 4.488 -11.479 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 14 . 3689 . 1 1 8 . HB2 H 8.671 7.031 -12.720 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3690 . 1 1 8 . HB3 H 7.847 7.881 -11.420 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3691 . 1 1 8 . HCA H 10.214 6.648 -10.336 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 14 . 3692 . 1 1 8 . HD2 H 11.753 8.413 -12.713 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3693 . 1 1 8 . HD3 H 10.498 7.473 -13.533 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 14 . 3694 . 1 1 8 . HE2 H 9.486 9.713 -14.255 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3695 . 1 1 8 . HE3 H 10.980 10.463 -13.686 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3696 . 1 1 8 . HG2 H 9.243 9.557 -11.989 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3697 . 1 1 8 . HG3 H 10.392 8.693 -10.956 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3698 . 1 1 8 . HH31 H 13.483 10.443 -17.466 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 14 . 3699 . 1 1 8 . HH32 H 11.952 9.608 -17.824 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 14 . 3700 . 1 1 8 . HH33 H 11.935 11.292 -17.249 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 14 . 3701 . 1 1 8 . HZ H 11.447 8.234 -15.388 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 14 . 3702 . 1 1 8 . N N 9.361 5.096 -11.427 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 14 . 3703 . 1 1 8 . NZ N 11.204 9.215 -15.371 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 14 . 3704 . 1 1 8 . O O 7.305 5.512 -9.621 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 14 . 3705 . 1 1 8 . OH O 13.312 9.977 -14.889 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 14 . 3706 . 1 1 9 THR C C 6.803 8.429 -7.335 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 14 . 3707 . 1 1 9 THR CA C 7.611 7.137 -7.398 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 14 . 3708 . 1 1 9 THR CB C 8.418 6.986 -6.095 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 14 . 3709 . 1 1 9 THR CG2 C 7.820 5.904 -5.209 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3710 . 1 1 9 THR H H 9.250 7.720 -8.602 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 14 . 3711 . 1 1 9 THR HA H 6.930 6.301 -7.473 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 14 . 3712 . 1 1 9 THR HB H 8.389 7.925 -5.560 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 14 . 3713 . 1 1 9 THR HG1 H 10.328 6.833 -5.628 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3714 . 1 1 9 THR HG21 H 8.284 4.955 -5.437 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 14 . 3715 . 1 1 9 THR HG22 H 7.993 6.150 -4.173 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 14 . 3716 . 1 1 9 THR HG23 H 6.758 5.837 -5.391 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 14 . 3717 . 1 1 9 THR N N 8.479 7.116 -8.568 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 14 . 3718 . 1 1 9 THR O O 6.879 9.264 -8.236 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 14 . 3719 . 1 1 9 THR OG1 O 9.780 6.663 -6.397 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3720 . 1 1 10 TRP C C 4.443 9.718 -4.769 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 14 . 3721 . 1 1 10 TRP CA C 5.209 9.779 -6.086 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 14 . 3722 . 1 1 10 TRP CB C 4.232 9.931 -7.253 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 14 . 3723 . 1 1 10 TRP CD1 C 2.607 7.967 -6.983 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 14 . 3724 . 1 1 10 TRP CD2 C 3.872 7.869 -8.829 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3725 . 1 1 10 TRP CE2 C 3.029 6.740 -8.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3726 . 1 1 10 TRP CE3 C 4.756 8.021 -9.900 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3727 . 1 1 10 TRP CG C 3.585 8.641 -7.658 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 14 . 3728 . 1 1 10 TRP CH2 C 3.924 5.946 -10.837 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 14 . 3729 . 1 1 10 TRP CZ2 C 3.048 5.771 -9.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 14 . 3730 . 1 1 10 TRP CZ3 C 4.775 7.058 -10.891 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 14 . 3731 . 1 1 10 TRP H H 6.012 7.885 -5.581 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 14 . 3732 . 1 1 10 TRP HA H 5.869 10.634 -6.066 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 14 . 3733 . 1 1 10 TRP HB2 H 3.452 10.622 -6.973 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3734 . 1 1 10 TRP HB3 H 4.764 10.320 -8.109 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3735 . 1 1 10 TRP HD1 H 2.174 8.297 -6.051 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 14 . 3736 . 1 1 10 TRP HE1 H 1.590 6.174 -7.382 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 14 . 3737 . 1 1 10 TRP HE3 H 5.419 8.872 -9.959 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3738 . 1 1 10 TRP HH2 H 3.972 5.220 -11.633 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 14 . 3739 . 1 1 10 TRP HZ2 H 2.399 4.909 -9.773 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 14 . 3740 . 1 1 10 TRP HZ3 H 5.452 7.160 -11.727 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 14 . 3741 . 1 1 10 TRP N N 6.031 8.587 -6.266 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 14 . 3742 . 1 1 10 TRP NE1 N 2.268 6.823 -7.664 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 14 . 3743 . 1 1 10 TRP O O 4.217 10.742 -4.124 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 14 . 3744 . 1 1 11 ARG C C 1.946 9.015 -3.201 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 14 . 3745 . 1 1 11 ARG CA C 3.303 8.319 -3.137 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 14 . 3746 . 1 1 11 ARG CB C 4.106 8.851 -1.948 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 14 . 3747 . 1 1 11 ARG CD C 2.787 9.541 0.077 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 14 . 3748 . 1 1 11 ARG CG C 3.557 8.417 -0.599 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 14 . 3749 . 1 1 11 ARG CZ C 4.524 10.639 1.427 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 14 . 3750 . 1 1 11 ARG H H 4.255 7.734 -4.934 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 14 . 3751 . 1 1 11 ARG HA H 3.144 7.259 -3.006 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 14 . 3752 . 1 1 11 ARG HB2 H 5.123 8.498 -2.029 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3753 . 1 1 11 ARG HB3 H 4.104 9.930 -1.983 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3754 . 1 1 11 ARG HD2 H 2.016 9.887 -0.595 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3755 . 1 1 11 ARG HD3 H 2.333 9.156 0.978 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 14 . 3756 . 1 1 11 ARG HE H 3.578 11.479 -0.117 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 14 . 3757 . 1 1 11 ARG HG2 H 2.893 7.577 -0.745 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3758 . 1 1 11 ARG HG3 H 4.379 8.123 0.036 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3759 . 1 1 11 ARG HH11 H 4.081 8.750 1.986 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 14 . 3760 . 1 1 11 ARG HH12 H 5.303 9.535 2.929 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 14 . 3761 . 1 1 11 ARG HH21 H 5.187 12.524 1.118 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 14 . 3762 . 1 1 11 ARG HH22 H 5.931 11.682 2.435 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 14 . 3763 . 1 1 11 ARG N N 4.045 8.512 -4.377 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 14 . 3764 . 1 1 11 ARG NE N 3.652 10.665 0.424 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 14 . 3765 . 1 1 11 ARG NH1 N 4.645 9.552 2.176 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 14 . 3766 . 1 1 11 ARG NH2 N 5.276 11.702 1.681 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 14 . 3767 . 1 1 11 ARG O O 1.863 10.243 -3.146 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 14 . 3768 . 1 1 12 THR C C -1.264 8.420 -2.140 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 14 . 3769 . 1 1 12 THR CA C -0.467 8.763 -3.393 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 14 . 3770 . 1 1 12 THR CB C -1.218 8.229 -4.627 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 14 . 3771 . 1 1 12 THR CG2 C -1.076 6.719 -4.737 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3772 . 1 1 12 THR H H 1.017 7.253 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 14 . 3773 . 1 1 12 THR HA H -0.393 9.837 -3.479 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 14 . 3774 . 1 1 12 THR HB H -0.792 8.682 -5.512 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 14 . 3775 . 1 1 12 THR HG1 H -2.700 9.530 -4.626 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3776 . 1 1 12 THR HG21 H -1.585 6.372 -5.624 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 14 . 3777 . 1 1 12 THR HG22 H -0.028 6.460 -4.799 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 14 . 3778 . 1 1 12 THR HG23 H -1.511 6.252 -3.866 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 14 . 3779 . 1 1 12 THR N N 0.885 8.223 -3.318 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 14 . 3780 . 1 1 12 THR O O -2.022 9.245 -1.629 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 14 . 3781 . 1 1 12 THR OG1 O -2.605 8.578 -4.545 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 14 . 3782 . 1 1 13 . C C -0.812 6.328 0.637 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 14 . 3783 . 1 1 13 . CA C -1.792 6.744 -0.453 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 14 . 3784 . 1 1 13 . CB C -2.728 5.582 -0.791 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 14 . 3785 . 1 1 13 . CD C -5.015 6.193 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 14 . 3786 . 1 1 13 . CE C -5.774 7.493 -1.411 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 14 . 3787 . 1 1 13 . CG C -4.184 5.820 -0.416 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 14 . 3788 . 1 1 13 . CH C -8.199 8.004 -1.649 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 14 . 3789 . 1 1 13 . CH3 C -8.593 7.622 -3.055 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 14 . 3790 . 1 1 13 . H H -0.453 6.567 -2.114 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 14 . 3791 . 1 1 13 . HB2 H -2.686 5.380 -1.861 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3792 . 1 1 13 . HB3 H -2.391 4.683 -0.275 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3793 . 1 1 13 . HCA H -2.388 7.572 -0.068 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 14 . 3794 . 1 1 13 . HD2 H -4.361 6.308 -2.500 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 14 . 3795 . 1 1 13 . HD3 H -5.730 5.398 -1.846 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 14 . 3796 . 1 1 13 . HE2 H -5.310 8.051 -0.600 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3797 . 1 1 13 . HE3 H -5.727 8.102 -2.315 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 14 . 3798 . 1 1 13 . HG2 H -4.598 4.915 0.032 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3799 . 1 1 13 . HG3 H -4.244 6.626 0.315 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3800 . 1 1 13 . HH31 H -9.128 6.671 -3.037 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 14 . 3801 . 1 1 13 . HH32 H -9.241 8.394 -3.473 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 14 . 3802 . 1 1 13 . HH33 H -7.700 7.524 -3.670 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 14 . 3803 . 1 1 13 . HZ H -7.452 6.303 -1.315 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 14 . 3804 . 1 1 13 . N N -1.089 7.198 -1.647 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 14 . 3805 . 1 1 13 . NZ N -7.203 7.251 -1.072 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 14 . 3806 . 1 1 13 . O O 0.391 6.562 0.524 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 14 . 3807 . 1 1 13 . OH O -8.723 8.964 -0.990 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 14 . 3808 . 1 1 14 GLN C C -0.306 3.751 2.758 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 14 . 3809 . 1 1 14 GLN CA C -0.507 5.262 2.802 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 14 . 3810 . 1 1 14 GLN CB C -1.142 5.665 4.134 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 14 . 3811 . 1 1 14 GLN CD C -0.388 7.874 5.102 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 14 . 3812 . 1 1 14 GLN CG C -1.417 7.155 4.251 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 14 . 3813 . 1 1 14 GLN H H -2.302 5.554 1.721 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 14 . 3814 . 1 1 14 GLN HA H 0.456 5.743 2.713 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 14 . 3815 . 1 1 14 GLN HB2 H -2.077 5.138 4.248 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3816 . 1 1 14 GLN HB3 H -0.477 5.381 4.937 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3817 . 1 1 14 GLN HE21 H -0.049 9.174 3.636 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 14 . 3818 . 1 1 14 GLN HE22 H 0.876 9.409 5.076 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 14 . 3819 . 1 1 14 GLN HG2 H -1.409 7.589 3.262 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 14 . 3820 . 1 1 14 GLN HG3 H -2.391 7.295 4.697 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 14 . 3821 . 1 1 14 GLN N N -1.336 5.711 1.690 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 14 . 3822 . 1 1 14 GLN NE2 N 0.208 8.925 4.549 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 14 . 3823 . 1 1 14 GLN O O -1.034 2.999 3.406 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 14 . 3824 . 1 1 14 GLN OE1 O -0.129 7.490 6.243 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 14 . 3825 . 1 1 15 CYS C C 1.137 1.240 3.229 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 14 . 3826 . 1 1 15 CYS CA C 0.981 1.892 1.858 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 14 . 3827 . 1 1 15 CYS CB C 2.255 1.689 1.036 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 14 . 3828 . 1 1 15 CYS H H 1.230 3.963 1.496 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 14 . 3829 . 1 1 15 CYS HA H 0.154 1.426 1.343 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 14 . 3830 . 1 1 15 CYS HB2 H 2.394 2.540 0.384 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 14 . 3831 . 1 1 15 CYS HB3 H 3.099 1.614 1.706 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 14 . 3832 . 1 1 15 CYS N N 0.685 3.313 1.989 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 14 . 3833 . 1 1 15 CYS O O 2.164 1.400 3.889 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 14 . 3834 . 1 1 15 CYS SG S 2.238 0.194 -0.005 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 14 . 3835 . 1 1 16 NH2 HN1 H -0.783 0.735 3.442 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 14 . 3836 . 1 1 16 NH2 N N 0.182 0.513 3.701 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 15 . 3837 . 1 1 1 ACE C C 1.561 1.008 -2.199 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 15 . 3838 . 1 1 1 ACE CH3 C 2.162 0.067 -1.175 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 15 . 3839 . 1 1 1 ACE H1 H 3.170 -0.129 -1.538 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 15 . 3840 . 1 1 1 ACE H2 H 1.360 -0.672 -1.142 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 15 . 3841 . 1 1 1 ACE O O 0.354 0.986 -2.441 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 15 . 3842 . 1 1 2 TRP C C 2.027 2.194 -5.204 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 15 . 3843 . 1 1 2 TRP CA C 1.948 2.795 -3.806 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 15 . 3844 . 1 1 2 TRP CB C 2.786 4.073 -3.738 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 15 . 3845 . 1 1 2 TRP CD1 C 2.078 4.752 -1.371 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 15 . 3846 . 1 1 2 TRP CD2 C 4.278 4.910 -1.755 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 15 . 3847 . 1 1 2 TRP CE2 C 4.024 5.309 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 15 . 3848 . 1 1 2 TRP CE3 C 5.595 4.926 -2.222 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 15 . 3849 . 1 1 2 TRP CG C 3.021 4.558 -2.340 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 15 . 3850 . 1 1 2 TRP CH2 C 6.319 5.724 -0.051 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 15 . 3851 . 1 1 2 TRP CZ2 C 5.039 5.719 0.433 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 15 . 3852 . 1 1 2 TRP CZ3 C 6.601 5.333 -1.366 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 15 . 3853 . 1 1 2 TRP H H 3.355 1.810 -2.566 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 15 . 3854 . 1 1 2 TRP HA H 0.919 3.037 -3.587 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 15 . 3855 . 1 1 2 TRP HB2 H 3.748 3.891 -4.194 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 3856 . 1 1 2 TRP HB3 H 2.277 4.856 -4.282 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 3857 . 1 1 2 TRP HD1 H 1.022 4.574 -1.505 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 15 . 3858 . 1 1 2 TRP HE1 H 2.209 5.416 0.618 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 15 . 3859 . 1 1 2 TRP HE3 H 5.834 4.628 -3.233 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 3860 . 1 1 2 TRP HH2 H 7.135 6.035 0.583 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 15 . 3861 . 1 1 2 TRP HZ2 H 4.837 6.022 1.450 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 15 . 3862 . 1 1 2 TRP HZ3 H 7.625 5.352 -1.709 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 15 . 3863 . 1 1 2 TRP N N 2.404 1.840 -2.802 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 15 . 3864 . 1 1 2 TRP NE1 N 2.675 5.204 -0.218 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 15 . 3865 . 1 1 2 TRP O O 2.253 0.994 -5.364 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 15 . 3866 . 1 1 3 LYS C C 3.262 2.852 -8.210 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 15 . 3867 . 1 1 3 LYS CA C 1.889 2.587 -7.603 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 15 . 3868 . 1 1 3 LYS CB C 0.810 3.291 -8.427 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 15 . 3869 . 1 1 3 LYS CD C -0.422 3.456 -10.610 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 15 . 3870 . 1 1 3 LYS CE C -0.862 2.600 -11.788 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 15 . 3871 . 1 1 3 LYS CG C 0.748 2.827 -9.873 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 15 . 3872 . 1 1 3 LYS H H 1.662 3.980 -6.025 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 15 . 3873 . 1 1 3 LYS HA H 1.702 1.524 -7.615 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 15 . 3874 . 1 1 3 LYS HB2 H -0.152 3.109 -7.971 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 3875 . 1 1 3 LYS HB3 H 1.006 4.354 -8.421 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 3876 . 1 1 3 LYS HD2 H -1.252 3.562 -9.928 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 15 . 3877 . 1 1 3 LYS HD3 H -0.126 4.430 -10.975 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 15 . 3878 . 1 1 3 LYS HE2 H -0.950 3.229 -12.661 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 15 . 3879 . 1 1 3 LYS HE3 H -0.113 1.842 -11.965 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 3880 . 1 1 3 LYS HG2 H 1.665 3.106 -10.370 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3881 . 1 1 3 LYS HG3 H 0.639 1.752 -9.891 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 3882 . 1 1 3 LYS HZ1 H -2.943 2.506 -11.938 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 15 . 3883 . 1 1 3 LYS HZ2 H -2.185 0.993 -11.970 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 15 . 3884 . 1 1 3 LYS HZ3 H -2.328 1.837 -10.511 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 15 . 3885 . 1 1 3 LYS N N 1.838 3.034 -6.215 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 15 . 3886 . 1 1 3 LYS NZ N -2.171 1.938 -11.535 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 15 . 3887 . 1 1 3 LYS O O 3.946 3.806 -7.836 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 15 . 3888 . 1 1 4 THR C C 4.806 2.094 -11.328 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 15 . 3889 . 1 1 4 THR CA C 4.954 2.146 -9.812 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 15 . 3890 . 1 1 4 THR CB C 5.937 1.047 -9.366 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 15 . 3891 . 1 1 4 THR CG2 C 7.331 1.312 -9.914 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3892 . 1 1 4 THR H H 3.074 1.261 -9.406 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 15 . 3893 . 1 1 4 THR HA H 5.367 3.103 -9.532 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 15 . 3894 . 1 1 4 THR HB H 5.590 0.098 -9.749 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 15 . 3895 . 1 1 4 THR HG1 H 5.443 0.253 -7.629 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 15 . 3896 . 1 1 4 THR HG21 H 7.547 2.369 -9.853 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 15 . 3897 . 1 1 4 THR HG22 H 8.057 0.763 -9.334 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 15 . 3898 . 1 1 4 THR HG23 H 7.379 0.994 -10.945 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 15 . 3899 . 1 1 4 THR N N 3.662 2.002 -9.151 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 15 . 3900 . 1 1 4 THR O O 4.278 1.126 -11.876 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 15 . 3901 . 1 1 4 THR OG1 O 5.985 0.983 -7.936 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 15 . 3902 . 1 1 5 ILE C C 6.402 3.941 -14.033 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 15 . 3903 . 1 1 5 ILE CA C 5.195 3.212 -13.453 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 15 . 3904 . 1 1 5 ILE CB C 3.910 3.926 -13.911 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 15 . 3905 . 1 1 5 ILE CD1 C 1.385 3.984 -13.598 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 15 . 3906 . 1 1 5 ILE CG1 C 2.686 3.303 -13.236 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 15 . 3907 . 1 1 5 ILE CG2 C 3.778 3.858 -15.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3908 . 1 1 5 ILE H H 5.684 3.880 -11.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 15 . 3909 . 1 1 5 ILE HA H 5.179 2.202 -13.836 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 15 . 3910 . 1 1 5 ILE HB H 3.981 4.964 -13.627 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 15 . 3911 . 1 1 5 ILE HD11 H 0.885 4.307 -12.696 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 15 . 3912 . 1 1 5 ILE HD12 H 1.588 4.841 -14.223 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 15 . 3913 . 1 1 5 ILE HD13 H 0.752 3.291 -14.132 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 15 . 3914 . 1 1 5 ILE HG12 H 2.610 2.268 -13.527 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 15 . 3915 . 1 1 5 ILE HG13 H 2.807 3.364 -12.164 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 15 . 3916 . 1 1 5 ILE HG21 H 3.704 4.858 -15.827 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 15 . 3917 . 1 1 5 ILE HG22 H 4.646 3.367 -15.841 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 15 . 3918 . 1 1 5 ILE HG23 H 2.890 3.299 -15.684 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 15 . 3919 . 1 1 5 ILE N N 5.274 3.140 -12.000 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 15 . 3920 . 1 1 5 ILE O O 6.710 5.066 -13.641 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 15 . 3921 . 1 1 6 . C C 9.368 4.119 -14.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 15 . 3922 . 1 1 6 . CA C 8.256 3.874 -15.611 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 15 . 3923 . 1 1 6 . CB C 7.888 5.181 -16.317 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 15 . 3924 . 1 1 6 . CD C 6.066 6.402 -17.545 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 15 . 3925 . 1 1 6 . CE C 5.294 6.856 -16.316 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 15 . 3926 . 1 1 6 . CG C 6.740 5.058 -17.310 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 15 . 3927 . 1 1 6 . CH C 6.186 8.603 -14.784 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 15 . 3928 . 1 1 6 . CH3 C 5.422 9.540 -13.881 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 15 . 3929 . 1 1 6 . H H 6.779 2.368 -15.251 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 15 . 3930 . 1 1 6 . HB2 H 7.609 5.929 -15.574 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 3931 . 1 1 6 . HB3 H 8.757 5.563 -16.853 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 3932 . 1 1 6 . HCA H 8.631 3.171 -16.357 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 15 . 3933 . 1 1 6 . HD2 H 6.821 7.150 -17.788 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 15 . 3934 . 1 1 6 . HD3 H 5.378 6.322 -18.386 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 15 . 3935 . 1 1 6 . HE2 H 4.225 6.745 -16.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 15 . 3936 . 1 1 6 . HE3 H 5.563 6.230 -15.465 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 3937 . 1 1 6 . HG2 H 7.121 4.682 -18.261 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3938 . 1 1 6 . HG3 H 6.003 4.354 -16.929 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 3939 . 1 1 6 . HH31 H 5.842 9.501 -12.876 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 15 . 3940 . 1 1 6 . HH32 H 5.498 10.558 -14.266 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 15 . 3941 . 1 1 6 . HH33 H 4.375 9.241 -13.848 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 15 . 3942 . 1 1 6 . HZ H 6.190 8.675 -16.671 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 15 . 3943 . 1 1 6 . N N 7.083 3.290 -14.973 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 15 . 3944 . 1 1 6 . NZ N 5.577 8.277 -15.974 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 15 . 3945 . 1 1 6 . O O 10.108 5.097 -14.701 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 15 . 3946 . 1 1 6 . OH O 7.333 8.115 -14.510 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 15 . 3947 . 1 1 7 GLY C C 10.497 4.728 -11.953 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 15 . 3948 . 1 1 7 GLY CA C 10.509 3.360 -12.609 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 15 . 3949 . 1 1 7 GLY H H 8.865 2.463 -13.595 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 15 . 3950 . 1 1 7 GLY HA2 H 10.351 2.608 -11.850 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 15 . 3951 . 1 1 7 GLY HA3 H 11.474 3.200 -13.064 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 15 . 3952 . 1 1 7 GLY N N 9.483 3.224 -13.626 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 15 . 3953 . 1 1 7 GLY O O 11.521 5.411 -11.913 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 15 . 3954 . 1 1 8 . C C 8.202 6.350 -9.636 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 15 . 3955 . 1 1 8 . CA C 9.195 6.422 -10.788 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 15 . 3956 . 1 1 8 . CB C 8.755 7.486 -11.795 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 15 . 3957 . 1 1 8 . CD C 10.698 8.379 -13.119 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 15 . 3958 . 1 1 8 . CE C 10.268 9.128 -14.372 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 15 . 3959 . 1 1 8 . CG C 9.741 8.636 -11.964 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 15 . 3960 . 1 1 8 . CH C 10.964 11.471 -14.842 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 15 . 3961 . 1 1 8 . CH3 C 10.211 11.933 -16.066 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 15 . 3962 . 1 1 8 . H H 8.535 4.518 -11.508 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 15 . 3963 . 1 1 8 . HB2 H 8.609 7.025 -12.772 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 3964 . 1 1 8 . HB3 H 7.799 7.907 -11.486 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 3965 . 1 1 8 . HCA H 10.163 6.711 -10.377 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 15 . 3966 . 1 1 8 . HD2 H 11.701 8.700 -12.838 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 15 . 3967 . 1 1 8 . HD3 H 10.726 7.311 -13.337 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 15 . 3968 . 1 1 8 . HE2 H 10.117 8.420 -15.186 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 15 . 3969 . 1 1 8 . HE3 H 9.324 9.639 -14.184 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 3970 . 1 1 8 . HG2 H 9.193 9.560 -12.157 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3971 . 1 1 8 . HG3 H 10.316 8.759 -11.048 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 3972 . 1 1 8 . HH31 H 10.588 11.407 -16.945 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 15 . 3973 . 1 1 8 . HH32 H 9.150 11.717 -15.941 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 15 . 3974 . 1 1 8 . HH33 H 10.353 13.004 -16.197 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 15 . 3975 . 1 1 8 . HZ H 12.071 10.100 -14.163 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 15 . 3976 . 1 1 8 . N N 9.338 5.128 -11.442 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 15 . 3977 . 1 1 8 . NZ N 11.282 10.134 -14.792 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 15 . 3978 . 1 1 8 . O O 7.221 5.609 -9.692 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 15 . 3979 . 1 1 8 . OH O 11.310 12.235 -13.880 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 15 . 3980 . 1 1 9 THR C C 6.777 8.437 -7.367 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 15 . 3981 . 1 1 9 THR CA C 7.591 7.150 -7.420 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 15 . 3982 . 1 1 9 THR CB C 8.399 7.014 -6.114 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 15 . 3983 . 1 1 9 THR CG2 C 7.734 6.026 -5.167 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 15 . 3984 . 1 1 9 THR H H 9.260 7.695 -8.602 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 15 . 3985 . 1 1 9 THR HA H 6.916 6.309 -7.489 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 15 . 3986 . 1 1 9 THR HB H 8.439 7.980 -5.632 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 15 . 3987 . 1 1 9 THR HG1 H 9.701 5.744 -6.877 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 15 . 3988 . 1 1 9 THR HG21 H 7.076 5.378 -5.727 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 15 . 3989 . 1 1 9 THR HG22 H 8.492 5.432 -4.677 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 15 . 3990 . 1 1 9 THR HG23 H 7.163 6.566 -4.426 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 15 . 3991 . 1 1 9 THR N N 8.462 7.126 -8.587 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 15 . 3992 . 1 1 9 THR O O 6.846 9.263 -8.276 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 15 . 3993 . 1 1 9 THR OG1 O 9.732 6.580 -6.406 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 15 . 3994 . 1 1 10 TRP C C 4.415 9.737 -4.808 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 15 . 3995 . 1 1 10 TRP CA C 5.177 9.789 -6.128 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 15 . 3996 . 1 1 10 TRP CB C 4.197 9.923 -7.294 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 15 . 3997 . 1 1 10 TRP CD1 C 2.587 7.950 -7.002 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 15 . 3998 . 1 1 10 TRP CD2 C 3.848 7.845 -8.850 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 15 . 3999 . 1 1 10 TRP CE2 C 3.014 6.710 -8.809 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 15 . 4000 . 1 1 10 TRP CE3 C 4.727 7.996 -9.925 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 15 . 4001 . 1 1 10 TRP CG C 3.559 8.625 -7.685 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 15 . 4002 . 1 1 10 TRP CH2 C 3.909 5.906 -10.842 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 15 . 4003 . 1 1 10 TRP CZ2 C 3.038 5.734 -9.801 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 15 . 4004 . 1 1 10 TRP CZ3 C 4.750 7.025 -10.908 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 15 . 4005 . 1 1 10 TRP H H 5.993 7.907 -5.606 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 15 . 4006 . 1 1 10 TRP HA H 5.831 10.649 -6.118 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 15 . 4007 . 1 1 10 TRP HB2 H 3.411 10.612 -7.017 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 4008 . 1 1 10 TRP HB3 H 4.723 10.310 -8.155 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 4009 . 1 1 10 TRP HD1 H 2.155 8.284 -6.071 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 15 . 4010 . 1 1 10 TRP HE1 H 1.583 6.144 -7.382 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 15 . 4011 . 1 1 10 TRP HE3 H 5.383 8.851 -9.994 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 4012 . 1 1 10 TRP HH2 H 3.960 5.173 -11.632 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 15 . 4013 . 1 1 10 TRP HZ2 H 2.395 4.866 -9.764 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 15 . 4014 . 1 1 10 TRP HZ3 H 5.424 7.124 -11.747 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 15 . 4015 . 1 1 10 TRP N N 6.006 8.601 -6.298 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 15 . 4016 . 1 1 10 TRP NE1 N 2.256 6.797 -7.671 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 15 . 4017 . 1 1 10 TRP O O 4.186 10.765 -4.172 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 15 . 4018 . 1 1 11 ARG C C 1.928 9.036 -3.226 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 15 . 4019 . 1 1 11 ARG CA C 3.287 8.347 -3.159 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 15 . 4020 . 1 1 11 ARG CB C 4.090 8.895 -1.978 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 15 . 4021 . 1 1 11 ARG CD C 2.766 9.597 0.039 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 15 . 4022 . 1 1 11 ARG CG C 3.547 8.473 -0.623 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 15 . 4023 . 1 1 11 ARG CZ C 2.181 10.357 2.303 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 15 . 4024 . 1 1 11 ARG H H 4.238 7.750 -4.953 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 15 . 4025 . 1 1 11 ARG HA H 3.135 7.287 -3.018 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 15 . 4026 . 1 1 11 ARG HB2 H 5.110 8.546 -2.057 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 4027 . 1 1 11 ARG HB3 H 4.084 9.974 -2.024 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 4028 . 1 1 11 ARG HD2 H 3.193 10.541 -0.262 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 15 . 4029 . 1 1 11 ARG HD3 H 1.738 9.545 -0.290 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 15 . 4030 . 1 1 11 ARG HE H 3.313 8.768 1.892 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 15 . 4031 . 1 1 11 ARG HG2 H 2.892 7.625 -0.757 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 4032 . 1 1 11 ARG HG3 H 4.373 8.195 0.014 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 4033 . 1 1 11 ARG HH11 H 1.417 11.477 0.805 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 15 . 4034 . 1 1 11 ARG HH12 H 1.011 12.003 2.405 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 15 . 4035 . 1 1 11 ARG HH21 H 2.787 9.449 4.004 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 15 . 4036 . 1 1 11 ARG HH22 H 1.792 10.849 4.224 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 15 . 4037 . 1 1 11 ARG N N 4.026 8.532 -4.402 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 15 . 4038 . 1 1 11 ARG NE N 2.801 9.503 1.496 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 15 . 4039 . 1 1 11 ARG NH1 N 1.479 11.362 1.796 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 15 . 4040 . 1 1 11 ARG NH2 N 2.259 10.206 3.618 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 15 . 4041 . 1 1 11 ARG O O 1.837 10.263 -3.181 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 15 . 4042 . 1 1 12 THR C C -1.270 8.453 -2.143 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 15 . 4043 . 1 1 12 THR CA C -0.485 8.768 -3.411 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 15 . 4044 . 1 1 12 THR CB C -1.244 8.200 -4.625 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 15 . 4045 . 1 1 12 THR CG2 C -1.095 6.688 -4.698 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 15 . 4046 . 1 1 12 THR H H 1.007 7.266 -3.367 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 15 . 4047 . 1 1 12 THR HA H -0.417 9.840 -3.525 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 15 . 4048 . 1 1 12 THR HB H -0.829 8.632 -5.525 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 15 . 4049 . 1 1 12 THR HG1 H -2.760 9.440 -4.861 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 15 . 4050 . 1 1 12 THR HG21 H -0.048 6.433 -4.777 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 15 . 4051 . 1 1 12 THR HG22 H -1.507 6.242 -3.805 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 15 . 4052 . 1 1 12 THR HG23 H -1.623 6.316 -5.564 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 15 . 4053 . 1 1 12 THR N N 0.870 8.237 -3.335 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 15 . 4054 . 1 1 12 THR O O -2.034 9.285 -1.652 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 15 . 4055 . 1 1 12 THR OG1 O -2.631 8.544 -4.540 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 15 . 4056 . 1 1 13 . C C -0.775 6.396 0.671 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 15 . 4057 . 1 1 13 . CA C -1.765 6.823 -0.404 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 15 . 4058 . 1 1 13 . CB C -2.733 5.679 -0.711 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 15 . 4059 . 1 1 13 . CD C -4.997 4.652 -0.339 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 15 . 4060 . 1 1 13 . CE C -6.442 4.910 0.055 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 15 . 4061 . 1 1 13 . CG C -4.161 5.920 -0.240 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 15 . 4062 . 1 1 13 . CH C -7.661 5.160 -2.101 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 15 . 4063 . 1 1 13 . CH3 C -8.867 4.270 -1.923 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 15 . 4064 . 1 1 13 . H H -0.435 6.612 -2.067 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 15 . 4065 . 1 1 13 . HB2 H -2.760 5.504 -1.786 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 4066 . 1 1 13 . HB3 H -2.374 4.762 -0.240 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 4067 . 1 1 13 . HCA H -2.336 7.667 -0.015 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 15 . 4068 . 1 1 13 . HD2 H -4.968 4.276 -1.361 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 15 . 4069 . 1 1 13 . HD3 H -4.581 3.889 0.321 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 15 . 4070 . 1 1 13 . HE2 H -6.965 3.961 0.166 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 15 . 4071 . 1 1 13 . HE3 H -6.472 5.431 1.013 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 15 . 4072 . 1 1 13 . HG2 H -4.149 6.257 0.799 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 4073 . 1 1 13 . HG3 H -4.619 6.696 -0.850 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 4074 . 1 1 13 . HH31 H -9.006 3.661 -2.816 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 15 . 4075 . 1 1 13 . HH32 H -8.715 3.621 -1.061 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 15 . 4076 . 1 1 13 . HH33 H -9.751 4.886 -1.763 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 15 . 4077 . 1 1 13 . HZ H -7.964 6.166 -0.534 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 15 . 4078 . 1 1 13 . N N -1.076 7.249 -1.615 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 15 . 4079 . 1 1 13 . NZ N -7.156 5.735 -0.958 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 15 . 4080 . 1 1 13 . O O 0.432 6.602 0.535 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 15 . 4081 . 1 1 13 . OH O -7.101 5.397 -3.225 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 15 . 4082 . 1 1 14 GLN C C -0.261 3.835 2.795 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 15 . 4083 . 1 1 14 GLN CA C -0.450 5.346 2.843 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 15 . 4084 . 1 1 14 GLN CB C -1.064 5.753 4.184 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 15 . 4085 . 1 1 14 GLN CD C -1.402 7.577 5.900 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 15 . 4086 . 1 1 14 GLN CG C -0.809 7.205 4.555 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 15 . 4087 . 1 1 14 GLN H H -2.260 5.667 1.794 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 15 . 4088 . 1 1 14 GLN HA H 0.514 5.820 2.741 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 15 . 4089 . 1 1 14 GLN HB2 H -2.132 5.597 4.139 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 4090 . 1 1 14 GLN HB3 H -0.649 5.128 4.960 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 4091 . 1 1 14 GLN HE21 H 0.167 8.731 6.300 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 15 . 4092 . 1 1 14 GLN HE22 H -1.049 8.665 7.526 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 15 . 4093 . 1 1 14 GLN HG2 H 0.257 7.373 4.591 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 15 . 4094 . 1 1 14 GLN HG3 H -1.246 7.839 3.798 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 15 . 4095 . 1 1 14 GLN N N -1.291 5.802 1.742 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 15 . 4096 . 1 1 14 GLN NE2 N -0.690 8.407 6.652 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 15 . 4097 . 1 1 14 GLN O O -1.003 3.085 3.430 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 15 . 4098 . 1 1 14 GLN OE1 O -2.488 7.121 6.259 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 15 . 4099 . 1 1 15 CYS C C 1.158 1.310 3.272 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 15 . 4100 . 1 1 15 CYS CA C 1.022 1.968 1.902 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 15 . 4101 . 1 1 15 CYS CB C 2.304 1.758 1.094 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 15 . 4102 . 1 1 15 CYS H H 1.293 4.038 1.551 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 15 . 4103 . 1 1 15 CYS HA H 0.197 1.511 1.377 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 15 . 4104 . 1 1 15 CYS HB2 H 2.447 2.603 0.434 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 15 . 4105 . 1 1 15 CYS HB3 H 3.141 1.693 1.773 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 15 . 4106 . 1 1 15 CYS N N 0.735 3.391 2.035 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 15 . 4107 . 1 1 15 CYS O O 1.663 0.193 3.387 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 15 . 4108 . 1 1 15 CYS SG S 2.300 0.252 0.070 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 15 . 4109 . 1 1 16 NH2 HN1 H -0.254 1.882 4.562 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 15 . 4110 . 1 1 16 NH2 N N 0.739 1.932 4.322 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 16 . 4111 . 1 1 1 ACE C C 1.502 0.961 -2.248 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 16 . 4112 . 1 1 1 ACE CH3 C 2.090 -0.001 -1.235 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 16 . 4113 . 1 1 1 ACE H1 H 3.099 -0.208 -1.590 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 16 . 4114 . 1 1 1 ACE H2 H 1.304 -0.755 -1.220 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 16 . 4115 . 1 1 1 ACE O O 0.294 0.963 -2.484 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 16 . 4116 . 1 1 2 TRP C C 1.996 2.172 -5.247 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 16 . 4117 . 1 1 2 TRP CA C 1.916 2.754 -3.840 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 16 . 4118 . 1 1 2 TRP CB C 2.762 4.025 -3.752 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 16 . 4119 . 1 1 2 TRP CD1 C 2.053 4.674 -1.375 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 16 . 4120 . 1 1 2 TRP CD2 C 4.256 4.819 -1.750 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4121 . 1 1 2 TRP CE2 C 4.001 5.200 -0.418 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4122 . 1 1 2 TRP CE3 C 5.574 4.831 -2.214 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4123 . 1 1 2 TRP CG C 2.996 4.486 -2.344 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 16 . 4124 . 1 1 2 TRP CH2 C 6.298 5.590 -0.028 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 16 . 4125 . 1 1 2 TRP CZ2 C 5.016 5.588 0.452 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 16 . 4126 . 1 1 2 TRP CZ3 C 6.581 5.217 -1.348 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 16 . 4127 . 1 1 2 TRP H H 3.309 1.732 -2.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 16 . 4128 . 1 1 2 TRP HA H 0.886 3.002 -3.624 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 16 . 4129 . 1 1 2 TRP HB2 H 3.724 3.842 -4.207 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4130 . 1 1 2 TRP HB3 H 2.262 4.820 -4.285 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4131 . 1 1 2 TRP HD1 H 0.995 4.506 -1.516 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 16 . 4132 . 1 1 2 TRP HE1 H 2.183 5.305 0.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 16 . 4133 . 1 1 2 TRP HE3 H 5.813 4.546 -3.228 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4134 . 1 1 2 TRP HH2 H 7.115 5.884 0.612 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 16 . 4135 . 1 1 2 TRP HZ2 H 4.814 5.878 1.473 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 16 . 4136 . 1 1 2 TRP HZ3 H 7.606 5.232 -1.690 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 16 . 4137 . 1 1 2 TRP N N 2.358 1.782 -2.847 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 16 . 4138 . 1 1 2 TRP NE1 N 2.650 5.102 -0.215 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 16 . 4139 . 1 1 2 TRP O O 2.213 0.973 -5.422 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 16 . 4140 . 1 1 3 LYS C C 3.250 2.870 -8.240 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 16 . 4141 . 1 1 3 LYS CA C 1.873 2.598 -7.640 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 16 . 4142 . 1 1 3 LYS CB C 0.799 3.317 -8.459 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 16 . 4143 . 1 1 3 LYS CD C -0.610 3.251 -10.538 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 16 . 4144 . 1 1 3 LYS CE C -1.041 2.270 -11.617 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 16 . 4145 . 1 1 3 LYS CG C 0.701 2.830 -9.894 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 16 . 4146 . 1 1 3 LYS H H 1.650 3.972 -6.044 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 16 . 4147 . 1 1 3 LYS HA H 1.685 1.536 -7.668 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 16 . 4148 . 1 1 3 LYS HB2 H -0.160 3.166 -7.983 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4149 . 1 1 3 LYS HB3 H 1.021 4.374 -8.474 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4150 . 1 1 3 LYS HD2 H -1.377 3.293 -9.778 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4151 . 1 1 3 LYS HD3 H -0.486 4.228 -10.981 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 16 . 4152 . 1 1 3 LYS HE2 H -1.202 2.813 -12.535 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4153 . 1 1 3 LYS HE3 H -0.253 1.545 -11.761 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4154 . 1 1 3 LYS HG2 H 1.519 3.248 -10.463 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4155 . 1 1 3 LYS HG3 H 0.767 1.751 -9.905 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4156 . 1 1 3 LYS HZ1 H -2.082 0.764 -10.611 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 16 . 4157 . 1 1 3 LYS HZ2 H -2.950 2.208 -10.770 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 16 . 4158 . 1 1 3 LYS HZ3 H -2.759 1.185 -12.104 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 16 . 4159 . 1 1 3 LYS N N 1.819 3.028 -6.247 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 16 . 4160 . 1 1 3 LYS NZ N -2.295 1.557 -11.250 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 16 . 4161 . 1 1 3 LYS O O 3.930 3.822 -7.855 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 16 . 4162 . 1 1 4 THR C C 4.808 2.133 -11.356 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 16 . 4163 . 1 1 4 THR CA C 4.948 2.177 -9.839 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 16 . 4164 . 1 1 4 THR CB C 5.932 1.078 -9.394 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 16 . 4165 . 1 1 4 THR CG2 C 7.318 1.327 -9.970 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4166 . 1 1 4 THR H H 3.068 1.289 -9.450 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 16 . 4167 . 1 1 4 THR HA H 5.359 3.134 -9.553 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 16 . 4168 . 1 1 4 THR HB H 5.573 0.126 -9.759 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 16 . 4169 . 1 1 4 THR HG1 H 6.133 1.922 -7.624 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4170 . 1 1 4 THR HG21 H 8.061 0.871 -9.331 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 16 . 4171 . 1 1 4 THR HG22 H 7.381 0.895 -10.958 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 16 . 4172 . 1 1 4 THR HG23 H 7.498 2.390 -10.030 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 16 . 4173 . 1 1 4 THR N N 3.654 2.028 -9.186 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 16 . 4174 . 1 1 4 THR O O 4.279 1.171 -11.912 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 16 . 4175 . 1 1 4 THR OG1 O 6.004 1.034 -7.965 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4176 . 1 1 5 ILE C C 6.428 3.981 -14.046 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 16 . 4177 . 1 1 5 ILE CA C 5.211 3.261 -13.474 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 16 . 4178 . 1 1 5 ILE CB C 3.935 3.987 -13.935 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 16 . 4179 . 1 1 5 ILE CD1 C 1.410 4.078 -13.618 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 16 . 4180 . 1 1 5 ILE CG1 C 2.703 3.381 -13.258 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4181 . 1 1 5 ILE CG2 C 3.802 3.916 -15.450 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4182 . 1 1 5 ILE H H 5.694 3.918 -11.521 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 16 . 4183 . 1 1 5 ILE HA H 5.189 2.252 -13.862 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 16 . 4184 . 1 1 5 ILE HB H 4.017 5.026 -13.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 16 . 4185 . 1 1 5 ILE HD11 H 1.541 5.146 -13.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 16 . 4186 . 1 1 5 ILE HD12 H 1.141 3.833 -14.634 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 16 . 4187 . 1 1 5 ILE HD13 H 0.628 3.753 -12.949 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 16 . 4188 . 1 1 5 ILE HG12 H 2.613 2.346 -13.549 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 16 . 4189 . 1 1 5 ILE HG13 H 2.827 3.440 -12.186 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 16 . 4190 . 1 1 5 ILE HG21 H 2.936 3.324 -15.707 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 16 . 4191 . 1 1 5 ILE HG22 H 3.689 4.913 -15.848 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 16 . 4192 . 1 1 5 ILE HG23 H 4.687 3.459 -15.867 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 16 . 4193 . 1 1 5 ILE N N 5.284 3.182 -12.020 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 16 . 4194 . 1 1 5 ILE O O 6.791 5.066 -13.590 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 16 . 4195 . 1 1 6 . C C 9.348 4.173 -14.680 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 16 . 4196 . 1 1 6 . CA C 8.226 3.954 -15.687 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 16 . 4197 . 1 1 6 . CB C 7.866 5.276 -16.369 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 16 . 4198 . 1 1 6 . CD C 6.085 6.528 -17.624 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 16 . 4199 . 1 1 6 . CE C 5.198 6.939 -16.458 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 16 . 4200 . 1 1 6 . CG C 6.730 5.173 -17.379 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 16 . 4201 . 1 1 6 . CH C 4.811 8.875 -14.942 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 16 . 4202 . 1 1 6 . CH3 C 4.188 10.238 -15.115 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 16 . 4203 . 1 1 6 . H H 6.703 2.483 -15.378 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 16 . 4204 . 1 1 6 . HB2 H 7.579 6.008 -15.616 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4205 . 1 1 6 . HB3 H 8.742 5.667 -16.889 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4206 . 1 1 6 . HCA H 8.589 3.258 -16.446 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 16 . 4207 . 1 1 6 . HD2 H 6.861 7.281 -17.763 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4208 . 1 1 6 . HD3 H 5.480 6.485 -18.530 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 16 . 4209 . 1 1 6 . HE2 H 4.153 6.831 -16.740 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4210 . 1 1 6 . HE3 H 5.394 6.288 -15.606 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4211 . 1 1 6 . HG2 H 7.116 4.786 -18.324 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4212 . 1 1 6 . HG3 H 5.974 4.482 -17.006 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4213 . 1 1 6 . HH31 H 3.471 10.210 -15.936 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 16 . 4214 . 1 1 6 . HH32 H 3.674 10.521 -14.195 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 16 . 4215 . 1 1 6 . HH33 H 4.965 10.968 -15.338 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 16 . 4216 . 1 1 6 . HZ H 6.421 8.479 -15.845 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 16 . 4217 . 1 1 6 . N N 7.052 3.372 -15.049 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 16 . 4218 . 1 1 6 . NZ N 5.440 8.350 -16.048 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 16 . 4219 . 1 1 6 . O O 10.096 5.145 -14.771 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 16 . 4220 . 1 1 6 . OH O 4.787 8.206 -13.855 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 16 . 4221 . 1 1 7 GLY C C 10.501 4.729 -12.032 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 16 . 4222 . 1 1 7 GLY CA C 10.495 3.373 -12.708 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 16 . 4223 . 1 1 7 GLY H H 8.835 2.506 -13.697 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 16 . 4224 . 1 1 7 GLY HA2 H 10.337 2.610 -11.961 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 16 . 4225 . 1 1 7 GLY HA3 H 11.456 3.211 -13.174 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 16 . 4226 . 1 1 7 GLY N N 9.460 3.261 -13.720 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 16 . 4227 . 1 1 7 GLY O O 11.509 5.435 -12.050 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 16 . 4228 . 1 1 8 . C C 8.265 6.288 -9.590 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 16 . 4229 . 1 1 8 . CA C 9.247 6.376 -10.750 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 16 . 4230 . 1 1 8 . CB C 8.808 7.467 -11.729 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 16 . 4231 . 1 1 8 . CD C 10.646 8.491 -13.104 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 16 . 4232 . 1 1 8 . CE C 9.907 8.972 -14.343 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 16 . 4233 . 1 1 8 . CG C 9.785 8.628 -11.856 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 16 . 4234 . 1 1 8 . CH C 11.479 9.949 -16.008 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 16 . 4235 . 1 1 8 . CH3 C 12.776 9.633 -16.711 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 16 . 4236 . 1 1 8 . H H 8.578 4.470 -11.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 16 . 4237 . 1 1 8 . HB2 H 8.672 7.033 -12.720 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4238 . 1 1 8 . HB3 H 7.845 7.871 -11.415 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4239 . 1 1 8 . HCA H 10.222 6.647 -10.343 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 16 . 4240 . 1 1 8 . HD2 H 11.557 9.078 -12.982 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4241 . 1 1 8 . HD3 H 10.925 7.446 -13.240 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 16 . 4242 . 1 1 8 . HE2 H 9.007 8.376 -14.485 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4243 . 1 1 8 . HE3 H 9.610 10.013 -14.208 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4244 . 1 1 8 . HG2 H 9.230 9.566 -11.910 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4245 . 1 1 8 . HG3 H 10.431 8.657 -10.981 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4246 . 1 1 8 . HH31 H 13.599 9.686 -16.000 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 16 . 4247 . 1 1 8 . HH32 H 12.724 8.629 -17.132 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 16 . 4248 . 1 1 8 . HH33 H 12.940 10.355 -17.510 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 16 . 4249 . 1 1 8 . HZ H 11.445 8.149 -15.439 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 16 . 4250 . 1 1 8 . N N 9.371 5.095 -11.435 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 16 . 4251 . 1 1 8 . NZ N 10.748 8.870 -15.566 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 16 . 4252 . 1 1 8 . O O 7.329 5.488 -9.613 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 16 . 4253 . 1 1 8 . OH O 11.039 11.131 -15.805 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 16 . 4254 . 1 1 9 THR C C 6.808 8.420 -7.330 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 16 . 4255 . 1 1 9 THR CA C 7.617 7.130 -7.399 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 16 . 4256 . 1 1 9 THR CB C 8.430 6.976 -6.100 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 16 . 4257 . 1 1 9 THR CG2 C 7.819 5.909 -5.204 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4258 . 1 1 9 THR H H 9.246 7.729 -8.612 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 16 . 4259 . 1 1 9 THR HA H 6.938 6.294 -7.476 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 16 . 4260 . 1 1 9 THR HB H 8.417 7.919 -5.571 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 16 . 4261 . 1 1 9 THR HG1 H 10.244 6.387 -5.599 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4262 . 1 1 9 THR HG21 H 6.768 5.810 -5.426 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 16 . 4263 . 1 1 9 THR HG22 H 8.315 4.965 -5.380 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 16 . 4264 . 1 1 9 THR HG23 H 7.943 6.193 -4.169 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 16 . 4265 . 1 1 9 THR N N 8.483 7.115 -8.573 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 16 . 4266 . 1 1 9 THR O O 6.886 9.262 -8.226 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 16 . 4267 . 1 1 9 THR OG1 O 9.785 6.631 -6.407 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4268 . 1 1 10 TRP C C 4.440 9.688 -4.762 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 16 . 4269 . 1 1 10 TRP CA C 5.209 9.759 -6.077 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 16 . 4270 . 1 1 10 TRP CB C 4.234 9.916 -7.244 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 16 . 4271 . 1 1 10 TRP CD1 C 2.613 7.947 -6.990 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 16 . 4272 . 1 1 10 TRP CD2 C 3.882 7.863 -8.833 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4273 . 1 1 10 TRP CE2 C 3.042 6.731 -8.815 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4274 . 1 1 10 TRP CE3 C 4.769 8.025 -9.901 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4275 . 1 1 10 TRP CG C 3.590 8.627 -7.659 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 16 . 4276 . 1 1 10 TRP CH2 C 3.944 5.954 -10.853 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 16 . 4277 . 1 1 10 TRP CZ2 C 3.065 5.770 -9.821 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 16 . 4278 . 1 1 10 TRP CZ3 C 4.791 7.069 -10.899 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 16 . 4279 . 1 1 10 TRP H H 6.013 7.864 -5.583 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 16 . 4280 . 1 1 10 TRP HA H 5.866 10.615 -6.051 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 16 . 4281 . 1 1 10 TRP HB2 H 3.450 10.603 -6.960 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4282 . 1 1 10 TRP HB3 H 4.765 10.313 -8.097 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4283 . 1 1 10 TRP HD1 H 2.176 8.270 -6.058 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 16 . 4284 . 1 1 10 TRP HE1 H 1.601 6.153 -7.403 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 16 . 4285 . 1 1 10 TRP HE3 H 5.429 8.877 -9.954 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4286 . 1 1 10 TRP HH2 H 3.995 5.232 -11.655 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 16 . 4287 . 1 1 10 TRP HZ2 H 2.419 4.905 -9.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 16 . 4288 . 1 1 10 TRP HZ3 H 5.471 7.177 -11.732 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 16 . 4289 . 1 1 10 TRP N N 6.033 8.569 -6.262 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 16 . 4290 . 1 1 10 TRP NE1 N 2.278 6.806 -7.680 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 16 . 4291 . 1 1 10 TRP O O 4.213 10.707 -4.110 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 16 . 4292 . 1 1 11 ARG C C 1.944 8.976 -3.200 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 16 . 4293 . 1 1 11 ARG CA C 3.300 8.278 -3.139 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 16 . 4294 . 1 1 11 ARG CB C 4.101 8.801 -1.947 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 16 . 4295 . 1 1 11 ARG CD C 2.771 9.483 0.073 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 16 . 4296 . 1 1 11 ARG CG C 3.547 8.363 -0.601 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 16 . 4297 . 1 1 11 ARG CZ C 4.025 9.743 2.173 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 16 . 4298 . 1 1 11 ARG H H 4.255 7.705 -4.940 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 16 . 4299 . 1 1 11 ARG HA H 3.140 7.217 -3.018 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 16 . 4300 . 1 1 11 ARG HB2 H 5.117 8.443 -2.026 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4301 . 1 1 11 ARG HB3 H 4.105 9.880 -1.976 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4302 . 1 1 11 ARG HD2 H 2.405 10.158 -0.685 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4303 . 1 1 11 ARG HD3 H 1.936 9.055 0.607 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 16 . 4304 . 1 1 11 ARG HE H 3.851 11.148 0.768 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 16 . 4305 . 1 1 11 ARG HG2 H 2.885 7.522 -0.751 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4306 . 1 1 11 ARG HG3 H 4.367 8.069 0.038 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4307 . 1 1 11 ARG HH11 H 3.135 7.946 1.930 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 16 . 4308 . 1 1 11 ARG HH12 H 4.022 8.141 3.406 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 16 . 4309 . 1 1 11 ARG HH21 H 5.022 11.418 2.707 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 16 . 4310 . 1 1 11 ARG HH22 H 5.094 10.117 3.847 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 16 . 4311 . 1 1 11 ARG N N 4.043 8.480 -4.377 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 16 . 4312 . 1 1 11 ARG NE N 3.600 10.234 1.014 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 16 . 4313 . 1 1 11 ARG NH1 N 3.701 8.508 2.532 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 16 . 4314 . 1 1 11 ARG NH2 N 4.775 10.487 2.975 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 16 . 4315 . 1 1 11 ARG O O 1.860 10.203 -3.130 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 16 . 4316 . 1 1 12 THR C C -1.260 8.400 -2.141 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 16 . 4317 . 1 1 12 THR CA C -0.469 8.728 -3.403 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 16 . 4318 . 1 1 12 THR CB C -1.228 8.182 -4.626 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 16 . 4319 . 1 1 12 THR CG2 C -1.088 6.670 -4.721 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4320 . 1 1 12 THR H H 1.013 7.217 -3.381 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 16 . 4321 . 1 1 12 THR HA H -0.393 9.801 -3.501 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 16 . 4322 . 1 1 12 THR HB H -0.808 8.624 -5.519 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 16 . 4323 . 1 1 12 THR HG1 H -3.139 7.888 -5.021 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4324 . 1 1 12 THR HG21 H -0.044 6.410 -4.805 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 16 . 4325 . 1 1 12 THR HG22 H -1.502 6.215 -3.834 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 16 . 4326 . 1 1 12 THR HG23 H -1.620 6.313 -5.590 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 16 . 4327 . 1 1 12 THR N N 0.882 8.186 -3.331 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 16 . 4328 . 1 1 12 THR O O -2.022 9.230 -1.643 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 16 . 4329 . 1 1 12 THR OG1 O -2.613 8.533 -4.541 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 16 . 4330 . 1 1 13 . C C -0.782 6.321 0.654 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 16 . 4331 . 1 1 13 . CA C -1.768 6.751 -0.424 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 16 . 4332 . 1 1 13 . CB C -2.728 5.606 -0.747 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 16 . 4333 . 1 1 13 . CD C -4.811 4.386 -0.038 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 16 . 4334 . 1 1 13 . CE C -6.129 4.430 -0.794 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 16 . 4335 . 1 1 13 . CG C -4.097 5.730 -0.090 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 16 . 4336 . 1 1 13 . CH C -8.395 5.425 -0.522 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 16 . 4337 . 1 1 13 . CH3 C -8.930 6.724 0.031 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 16 . 4338 . 1 1 13 . H H -0.433 6.555 -2.085 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 16 . 4339 . 1 1 13 . HB2 H -2.878 5.548 -1.824 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4340 . 1 1 13 . HB3 H -2.288 4.661 -0.426 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4341 . 1 1 13 . HCA H -2.345 7.590 -0.033 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 16 . 4342 . 1 1 13 . HD2 H -4.173 3.620 -0.479 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 16 . 4343 . 1 1 13 . HD3 H -5.005 4.119 1.000 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 16 . 4344 . 1 1 13 . HE2 H -6.027 5.067 -1.670 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4345 . 1 1 13 . HE3 H -6.390 3.426 -1.130 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 16 . 4346 . 1 1 13 . HG2 H -3.982 6.110 0.926 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4347 . 1 1 13 . HG3 H -4.709 6.434 -0.655 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4348 . 1 1 13 . HH31 H -8.325 7.034 0.883 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 16 . 4349 . 1 1 13 . HH32 H -8.888 7.492 -0.742 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 16 . 4350 . 1 1 13 . HH33 H -9.962 6.585 0.350 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 16 . 4351 . 1 1 13 . HZ H -7.562 4.222 0.672 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 16 . 4352 . 1 1 13 . N N -1.073 7.189 -1.629 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 16 . 4353 . 1 1 13 . NZ N -7.239 4.952 0.052 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 16 . 4354 . 1 1 13 . O O 0.424 6.532 0.527 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 16 . 4355 . 1 1 13 . OH O -8.946 4.764 -1.465 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 16 . 4356 . 1 1 14 GLN C C -0.297 3.740 2.777 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 16 . 4357 . 1 1 14 GLN CA C -0.468 5.255 2.820 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 16 . 4358 . 1 1 14 GLN CB C -1.077 5.674 4.158 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 16 . 4359 . 1 1 14 GLN CD C -0.933 7.188 6.176 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 16 . 4360 . 1 1 14 GLN CG C -0.308 6.786 4.854 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 16 . 4361 . 1 1 14 GLN H H -2.271 5.576 1.760 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 16 . 4362 . 1 1 14 GLN HA H 0.503 5.716 2.715 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 16 . 4363 . 1 1 14 GLN HB2 H -2.087 6.016 3.989 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4364 . 1 1 14 GLN HB3 H -1.100 4.817 4.814 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4365 . 1 1 14 GLN HE21 H 0.238 8.793 6.269 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 16 . 4366 . 1 1 14 GLN HE22 H -0.856 8.583 7.589 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 16 . 4367 . 1 1 14 GLN HG2 H 0.701 6.448 5.039 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 16 . 4368 . 1 1 14 GLN HG3 H -0.284 7.650 4.207 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 16 . 4369 . 1 1 14 GLN N N -1.303 5.715 1.716 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 16 . 4370 . 1 1 14 GLN NE2 N -0.470 8.299 6.736 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 16 . 4371 . 1 1 14 GLN O O -1.058 3.002 3.403 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 16 . 4372 . 1 1 14 GLN OE1 O -1.821 6.506 6.689 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 16 . 4373 . 1 1 15 CYS C C 1.082 1.200 3.284 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 16 . 4374 . 1 1 15 CYS CA C 0.978 1.856 1.910 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 16 . 4375 . 1 1 15 CYS CB C 2.270 1.628 1.125 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 16 . 4376 . 1 1 15 CYS H H 1.279 3.921 1.560 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 16 . 4377 . 1 1 15 CYS HA H 0.156 1.408 1.372 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 16 . 4378 . 1 1 15 CYS HB2 H 2.484 2.508 0.535 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 16 . 4379 . 1 1 15 CYS HB3 H 3.080 1.460 1.819 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 16 . 4380 . 1 1 15 CYS N N 0.707 3.283 2.036 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 16 . 4381 . 1 1 15 CYS O O 1.763 1.707 4.175 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 16 . 4382 . 1 1 15 CYS SG S 2.209 0.204 -0.010 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 16 . 4383 . 1 1 16 NH2 HN1 H -0.572 0.094 3.447 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 16 . 4384 . 1 1 16 NH2 N N 0.449 0.100 3.515 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 17 . 4385 . 1 1 1 ACE C C 1.572 0.983 -2.189 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 17 . 4386 . 1 1 1 ACE CH3 C 2.164 0.051 -1.151 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 17 . 4387 . 1 1 1 ACE H1 H 3.153 -0.196 -1.538 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 17 . 4388 . 1 1 1 ACE H2 H 1.329 -0.645 -1.070 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 17 . 4389 . 1 1 1 ACE O O 0.373 0.938 -2.461 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 17 . 4390 . 1 1 2 TRP C C 2.047 2.169 -5.174 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 17 . 4391 . 1 1 2 TRP CA C 1.965 2.782 -3.781 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 17 . 4392 . 1 1 2 TRP CB C 2.807 4.057 -3.721 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 17 . 4393 . 1 1 2 TRP CD1 C 2.091 4.759 -1.362 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 17 . 4394 . 1 1 2 TRP CD2 C 4.295 4.903 -1.737 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4395 . 1 1 2 TRP CE2 C 4.036 5.314 -0.415 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4396 . 1 1 2 TRP CE3 C 5.613 4.909 -2.197 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4397 . 1 1 2 TRP CG C 3.037 4.552 -2.324 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 17 . 4398 . 1 1 2 TRP CH2 C 6.330 5.721 -0.029 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 17 . 4399 . 1 1 2 TRP CZ2 C 5.048 5.726 0.449 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 17 . 4400 . 1 1 2 TRP CZ3 C 6.617 5.317 -1.340 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 17 . 4401 . 1 1 2 TRP H H 3.359 1.819 -2.509 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 17 . 4402 . 1 1 2 TRP HA H 0.936 3.029 -3.568 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 17 . 4403 . 1 1 2 TRP HB2 H 3.769 3.868 -4.170 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4404 . 1 1 2 TRP HB3 H 2.303 4.838 -4.272 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4405 . 1 1 2 TRP HD1 H 1.034 4.585 -1.500 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 17 . 4406 . 1 1 2 TRP HE1 H 2.216 5.438 0.622 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 17 . 4407 . 1 1 2 TRP HE3 H 5.855 4.600 -3.204 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4408 . 1 1 2 TRP HH2 H 7.145 6.033 0.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 17 . 4409 . 1 1 2 TRP HZ2 H 4.843 6.039 1.462 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 17 . 4410 . 1 1 2 TRP HZ3 H 7.642 5.329 -1.678 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 17 . 4411 . 1 1 2 TRP N N 2.414 1.831 -2.768 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 17 . 4412 . 1 1 2 TRP NE1 N 2.684 5.217 -0.210 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 17 . 4413 . 1 1 2 TRP O O 2.270 0.967 -5.324 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 17 . 4414 . 1 1 3 LYS C C 3.285 2.830 -8.192 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 17 . 4415 . 1 1 3 LYS CA C 1.919 2.544 -7.576 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 17 . 4416 . 1 1 3 LYS CB C 0.823 3.219 -8.403 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 17 . 4417 . 1 1 3 LYS CD C -0.706 2.599 -10.298 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 17 . 4418 . 1 1 3 LYS CE C -0.817 1.777 -11.572 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 17 . 4419 . 1 1 3 LYS CG C 0.737 2.711 -9.831 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 17 . 4420 . 1 1 3 LYS H H 1.691 3.949 -6.010 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 17 . 4421 . 1 1 3 LYS HA H 1.754 1.477 -7.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 17 . 4422 . 1 1 3 LYS HB2 H -0.130 3.049 -7.923 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4423 . 1 1 3 LYS HB3 H 1.016 4.282 -8.433 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4424 . 1 1 3 LYS HD2 H -1.289 2.123 -9.523 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4425 . 1 1 3 LYS HD3 H -1.092 3.591 -10.484 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 17 . 4426 . 1 1 3 LYS HE2 H -1.688 2.103 -12.120 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4427 . 1 1 3 LYS HE3 H 0.067 1.943 -12.170 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4428 . 1 1 3 LYS HG2 H 1.262 3.395 -10.481 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4429 . 1 1 3 LYS HG3 H 1.198 1.735 -9.884 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4430 . 1 1 3 LYS HZ1 H -1.926 0.014 -11.416 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 17 . 4431 . 1 1 3 LYS HZ2 H -0.331 -0.223 -11.927 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 17 . 4432 . 1 1 3 LYS HZ3 H -0.656 0.125 -10.303 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 17 . 4433 . 1 1 3 LYS N N 1.865 3.003 -6.194 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 17 . 4434 . 1 1 3 LYS NZ N -0.942 0.321 -11.285 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 17 . 4435 . 1 1 3 LYS O O 3.953 3.797 -7.823 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 17 . 4436 . 1 1 4 THR C C 4.824 2.095 -11.316 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 17 . 4437 . 1 1 4 THR CA C 4.980 2.150 -9.800 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 17 . 4438 . 1 1 4 THR CB C 5.983 1.068 -9.359 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 17 . 4439 . 1 1 4 THR CG2 C 7.372 1.363 -9.904 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4440 . 1 1 4 THR H H 3.117 1.235 -9.384 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 17 . 4441 . 1 1 4 THR HA H 5.379 3.115 -9.523 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 17 . 4442 . 1 1 4 THR HB H 5.655 0.114 -9.749 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 17 . 4443 . 1 1 4 THR HG1 H 5.733 0.130 -7.642 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4444 . 1 1 4 THR HG21 H 8.116 0.966 -9.229 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 17 . 4445 . 1 1 4 THR HG22 H 7.484 0.902 -10.874 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 17 . 4446 . 1 1 4 THR HG23 H 7.504 2.431 -9.996 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 17 . 4447 . 1 1 4 THR N N 3.694 1.986 -9.133 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 17 . 4448 . 1 1 4 THR O O 4.292 1.127 -11.860 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 17 . 4449 . 1 1 4 THR OG1 O 6.030 0.996 -7.930 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4450 . 1 1 5 ILE C C 6.409 3.937 -14.033 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 17 . 4451 . 1 1 5 ILE CA C 5.206 3.208 -13.445 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 17 . 4452 . 1 1 5 ILE CB C 3.918 3.917 -13.900 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 17 . 4453 . 1 1 5 ILE CD1 C 1.389 3.944 -13.607 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 17 . 4454 . 1 1 5 ILE CG1 C 2.696 3.285 -13.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4455 . 1 1 5 ILE CG2 C 3.785 3.858 -15.414 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4456 . 1 1 5 ILE H H 5.706 3.880 -11.502 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 17 . 4457 . 1 1 5 ILE HA H 5.190 2.196 -13.826 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 17 . 4458 . 1 1 5 ILE HB H 3.982 4.955 -13.609 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 17 . 4459 . 1 1 5 ILE HD11 H 0.880 4.274 -12.713 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 17 . 4460 . 1 1 5 ILE HD12 H 1.585 4.794 -14.244 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 17 . 4461 . 1 1 5 ILE HD13 H 0.768 3.235 -14.134 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 17 . 4462 . 1 1 5 ILE HG12 H 2.637 2.246 -13.509 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 17 . 4463 . 1 1 5 ILE HG13 H 2.807 3.358 -12.155 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 17 . 4464 . 1 1 5 ILE HG21 H 2.890 3.315 -15.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 17 . 4465 . 1 1 5 ILE HG22 H 3.727 4.861 -15.810 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 17 . 4466 . 1 1 5 ILE HG23 H 4.646 3.356 -15.831 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 17 . 4467 . 1 1 5 ILE N N 5.292 3.139 -11.992 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 17 . 4468 . 1 1 5 ILE O O 6.753 5.038 -13.601 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 17 . 4469 . 1 1 6 . C C 9.331 4.153 -14.674 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 17 . 4470 . 1 1 6 . CA C 8.208 3.906 -15.673 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 17 . 4471 . 1 1 6 . CB C 7.829 5.212 -16.371 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 17 . 4472 . 1 1 6 . CD C 6.000 6.432 -17.593 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 17 . 4473 . 1 1 6 . CE C 5.245 6.900 -16.358 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 17 . 4474 . 1 1 6 . CG C 6.672 5.086 -17.354 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 17 . 4475 . 1 1 6 . CH C 5.274 8.733 -14.675 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 17 . 4476 . 1 1 6 . CH3 C 6.143 9.739 -13.961 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 17 . 4477 . 1 1 6 . H H 6.711 2.414 -15.331 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 17 . 4478 . 1 1 6 . HB2 H 7.554 5.958 -15.626 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4479 . 1 1 6 . HB3 H 8.690 5.598 -16.917 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4480 . 1 1 6 . HCA H 8.577 3.204 -16.424 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 17 . 4481 . 1 1 6 . HD2 H 6.755 7.174 -17.850 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4482 . 1 1 6 . HD3 H 5.301 6.347 -18.424 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 17 . 4483 . 1 1 6 . HE2 H 4.199 7.065 -16.612 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4484 . 1 1 6 . HE3 H 5.291 6.129 -15.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4485 . 1 1 6 . HG2 H 7.042 4.701 -18.306 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4486 . 1 1 6 . HG3 H 5.935 4.387 -16.960 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4487 . 1 1 6 . HH31 H 6.889 10.132 -14.653 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 17 . 4488 . 1 1 6 . HH32 H 5.523 10.557 -13.592 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 17 . 4489 . 1 1 6 . HH33 H 6.644 9.257 -13.123 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 17 . 4490 . 1 1 6 . HZ H 6.778 8.020 -15.563 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 17 . 4491 . 1 1 6 . N N 7.045 3.317 -15.023 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 17 . 4492 . 1 1 6 . NZ N 5.809 8.162 -15.806 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 17 . 4493 . 1 1 6 . O O 10.067 5.132 -14.782 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 17 . 4494 . 1 1 6 . OH O 4.102 8.396 -14.294 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 17 . 4495 . 1 1 7 GLY C C 10.488 4.763 -12.040 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 17 . 4496 . 1 1 7 GLY CA C 10.496 3.395 -12.695 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 17 . 4497 . 1 1 7 GLY H H 8.842 2.495 -13.664 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 17 . 4498 . 1 1 7 GLY HA2 H 10.347 2.643 -11.935 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 17 . 4499 . 1 1 7 GLY HA3 H 11.457 3.237 -13.161 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 17 . 4500 . 1 1 7 GLY N N 9.458 3.256 -13.700 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 17 . 4501 . 1 1 7 GLY O O 11.493 5.474 -12.064 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 17 . 4502 . 1 1 8 . C C 8.231 6.347 -9.636 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 17 . 4503 . 1 1 8 . CA C 9.218 6.423 -10.793 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 17 . 4504 . 1 1 8 . CB C 8.775 7.495 -11.792 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 17 . 4505 . 1 1 8 . CD C 10.648 8.512 -13.126 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 17 . 4506 . 1 1 8 . CE C 10.235 9.439 -14.258 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 17 . 4507 . 1 1 8 . CG C 9.734 8.671 -11.919 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 17 . 4508 . 1 1 8 . CH C 10.503 11.912 -14.180 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 17 . 4509 . 1 1 8 . CH3 C 11.348 12.970 -13.511 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 17 . 4510 . 1 1 8 . H H 8.564 4.501 -11.472 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 17 . 4511 . 1 1 8 . HB2 H 8.662 7.048 -12.780 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4512 . 1 1 8 . HB3 H 7.801 7.886 -11.498 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4513 . 1 1 8 . HCA H 10.189 6.707 -10.386 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 17 . 4514 . 1 1 8 . HD2 H 11.674 8.737 -12.837 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4515 . 1 1 8 . HD3 H 10.607 7.482 -13.479 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 17 . 4516 . 1 1 8 . HE2 H 10.325 8.917 -15.209 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4517 . 1 1 8 . HE3 H 9.192 9.732 -14.127 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4518 . 1 1 8 . HG2 H 9.164 9.595 -12.024 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4519 . 1 1 8 . HG3 H 10.344 8.741 -11.019 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4520 . 1 1 8 . HH31 H 11.207 12.920 -12.432 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 17 . 4521 . 1 1 8 . HH32 H 12.399 12.798 -13.747 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 17 . 4522 . 1 1 8 . HH33 H 11.051 13.953 -13.871 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 17 . 4523 . 1 1 8 . HZ H 11.751 10.642 -13.556 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 17 . 4524 . 1 1 8 . N N 9.353 5.132 -11.457 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 17 . 4525 . 1 1 8 . NZ N 11.074 10.668 -14.304 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 17 . 4526 . 1 1 8 . O O 7.267 5.582 -9.676 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 17 . 4527 . 1 1 8 . OH O 9.321 12.109 -14.621 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 17 . 4528 . 1 1 9 THR C C 6.792 8.451 -7.377 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 17 . 4529 . 1 1 9 THR CA C 7.612 7.168 -7.430 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 17 . 4530 . 1 1 9 THR CB C 8.425 7.037 -6.128 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 17 . 4531 . 1 1 9 THR CG2 C 7.841 5.953 -5.233 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4532 . 1 1 9 THR H H 9.262 7.731 -8.628 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 17 . 4533 . 1 1 9 THR HA H 6.939 6.325 -7.496 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 17 . 4534 . 1 1 9 THR HB H 8.385 7.980 -5.601 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 17 . 4535 . 1 1 9 THR HG1 H 10.212 7.498 -6.820 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4536 . 1 1 9 THR HG21 H 6.774 5.895 -5.387 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 17 . 4537 . 1 1 9 THR HG22 H 8.294 5.004 -5.476 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 17 . 4538 . 1 1 9 THR HG23 H 8.043 6.194 -4.198 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 17 . 4539 . 1 1 9 THR N N 8.478 7.145 -8.602 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 17 . 4540 . 1 1 9 THR O O 6.854 9.277 -8.288 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 17 . 4541 . 1 1 9 THR OG1 O 9.789 6.729 -6.431 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4542 . 1 1 10 TRP C C 4.435 9.746 -4.812 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 17 . 4543 . 1 1 10 TRP CA C 5.193 9.800 -6.134 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 17 . 4544 . 1 1 10 TRP CB C 4.206 9.928 -7.296 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 17 . 4545 . 1 1 10 TRP CD1 C 2.603 7.952 -6.992 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 17 . 4546 . 1 1 10 TRP CD2 C 3.857 7.844 -8.845 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4547 . 1 1 10 TRP CE2 C 3.026 6.707 -8.798 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4548 . 1 1 10 TRP CE3 C 4.733 7.993 -9.923 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4549 . 1 1 10 TRP CG C 3.570 8.627 -7.682 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 17 . 4550 . 1 1 10 TRP CH2 C 3.916 5.900 -10.831 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 17 . 4551 . 1 1 10 TRP CZ2 C 3.049 5.728 -9.787 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 17 . 4552 . 1 1 10 TRP CZ3 C 4.754 7.020 -10.904 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 17 . 4553 . 1 1 10 TRP H H 6.017 7.921 -5.612 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 17 . 4554 . 1 1 10 TRP HA H 5.842 10.662 -6.128 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 17 . 4555 . 1 1 10 TRP HB2 H 3.421 10.615 -7.019 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4556 . 1 1 10 TRP HB3 H 4.729 10.313 -8.160 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4557 . 1 1 10 TRP HD1 H 2.172 8.288 -6.061 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 17 . 4558 . 1 1 10 TRP HE1 H 1.602 6.143 -7.364 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 17 . 4559 . 1 1 10 TRP HE3 H 5.386 8.850 -9.997 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4560 . 1 1 10 TRP HH2 H 3.966 5.164 -11.619 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 17 . 4561 . 1 1 10 TRP HZ2 H 2.409 4.859 -9.745 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 17 . 4562 . 1 1 10 TRP HZ3 H 5.425 7.118 -11.745 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 17 . 4563 . 1 1 10 TRP N N 6.025 8.614 -6.304 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 17 . 4564 . 1 1 10 TRP NE1 N 2.271 6.797 -7.658 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 17 . 4565 . 1 1 10 TRP O O 4.203 10.775 -4.177 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 17 . 4566 . 1 1 11 ARG C C 1.955 9.037 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 17 . 4567 . 1 1 11 ARG CA C 3.319 8.355 -3.155 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 17 . 4568 . 1 1 11 ARG CB C 4.124 8.908 -1.979 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 17 . 4569 . 1 1 11 ARG CD C 2.811 9.613 0.045 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 17 . 4570 . 1 1 11 ARG CG C 3.586 8.488 -0.621 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 17 . 4571 . 1 1 11 ARG CZ C 3.912 9.688 2.242 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 17 . 4572 . 1 1 11 ARG H H 4.267 7.759 -4.952 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 17 . 4573 . 1 1 11 ARG HA H 3.171 7.295 -3.013 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 17 . 4574 . 1 1 11 ARG HB2 H 5.144 8.563 -2.060 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4575 . 1 1 11 ARG HB3 H 4.113 9.987 -2.027 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4576 . 1 1 11 ARG HD2 H 3.255 10.556 -0.239 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4577 . 1 1 11 ARG HD3 H 1.788 9.580 -0.299 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 17 . 4578 . 1 1 11 ARG HE H 1.982 9.275 1.948 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 17 . 4579 . 1 1 11 ARG HG2 H 2.928 7.640 -0.752 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4580 . 1 1 11 ARG HG3 H 4.414 8.208 0.013 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4581 . 1 1 11 ARG HH11 H 5.119 10.085 0.672 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 17 . 4582 . 1 1 11 ARG HH12 H 5.883 10.134 2.226 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 17 . 4583 . 1 1 11 ARG HH21 H 2.977 9.338 3.999 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 17 . 4584 . 1 1 11 ARG HH22 H 4.663 9.709 4.118 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 17 . 4585 . 1 1 11 ARG N N 4.051 8.541 -4.402 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 17 . 4586 . 1 1 11 ARG NE N 2.825 9.501 1.501 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 17 . 4587 . 1 1 11 ARG NH1 N 5.066 9.993 1.666 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 17 . 4588 . 1 1 11 ARG NH2 N 3.846 9.569 3.562 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 17 . 4589 . 1 1 11 ARG O O 1.860 10.264 -3.174 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 17 . 4590 . 1 1 12 THR C C -1.244 8.419 -2.136 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 17 . 4591 . 1 1 12 THR CA C -0.455 8.759 -3.397 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 17 . 4592 . 1 1 12 THR CB C -1.208 8.208 -4.623 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 17 . 4593 . 1 1 12 THR CG2 C -1.052 6.698 -4.719 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4594 . 1 1 12 THR H H 1.042 7.264 -3.355 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 17 . 4595 . 1 1 12 THR HA H -0.393 9.834 -3.491 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 17 . 4596 . 1 1 12 THR HB H -0.790 8.656 -5.513 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 17 . 4597 . 1 1 12 THR HG1 H -2.884 8.930 -5.369 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4598 . 1 1 12 THR HG21 H -1.562 6.339 -5.601 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 17 . 4599 . 1 1 12 THR HG22 H -0.003 6.448 -4.782 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 17 . 4600 . 1 1 12 THR HG23 H -1.480 6.235 -3.841 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 17 . 4601 . 1 1 12 THR N N 0.902 8.234 -3.324 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 17 . 4602 . 1 1 12 THR O O -2.008 9.242 -1.631 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 17 . 4603 . 1 1 12 THR OG1 O -2.597 8.544 -4.537 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 17 . 4604 . 1 1 13 . C C -0.757 6.367 0.659 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 17 . 4605 . 1 1 13 . CA C -1.745 6.754 -0.433 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 17 . 4606 . 1 1 13 . CB C -2.664 5.574 -0.753 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 17 . 4607 . 1 1 13 . CD C -4.595 4.492 0.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 17 . 4608 . 1 1 13 . CE C -5.728 4.814 1.401 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 17 . 4609 . 1 1 13 . CG C -4.097 5.744 -0.270 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 17 . 4610 . 1 1 13 . CH C -5.746 4.090 3.783 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 17 . 4611 . 1 1 13 . CH3 C -4.786 3.704 4.881 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 17 . 4612 . 1 1 13 . H H -0.412 6.576 -2.097 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 17 . 4613 . 1 1 13 . HB2 H -2.690 5.414 -1.831 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4614 . 1 1 13 . HB3 H -2.261 4.667 -0.299 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4615 . 1 1 13 . HCA H -2.354 7.577 -0.055 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 17 . 4616 . 1 1 13 . HD2 H -4.948 3.772 -0.300 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 17 . 4617 . 1 1 13 . HD3 H -3.774 4.040 0.996 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 17 . 4618 . 1 1 13 . HE2 H -6.193 5.755 1.114 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4619 . 1 1 13 . HE3 H -6.483 4.029 1.348 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 17 . 4620 . 1 1 13 . HG2 H -4.151 6.587 0.421 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4621 . 1 1 13 . HG3 H -4.745 5.951 -1.121 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4622 . 1 1 13 . HH31 H -3.829 3.415 4.444 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 17 . 4623 . 1 1 13 . HH32 H -4.639 4.552 5.548 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 17 . 4624 . 1 1 13 . HH33 H -5.194 2.865 5.443 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 17 . 4625 . 1 1 13 . HZ H -4.253 4.757 2.838 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 17 . 4626 . 1 1 13 . N N -1.053 7.204 -1.634 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 17 . 4627 . 1 1 13 . NZ N -5.250 4.922 2.806 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 17 . 4628 . 1 1 13 . O O 0.443 6.619 0.542 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 17 . 4629 . 1 1 13 . OH O -6.958 3.695 3.715 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 17 . 4630 . 1 1 14 GLN C C -0.208 3.825 2.815 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 17 . 4631 . 1 1 14 GLN CA C -0.427 5.334 2.838 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 17 . 4632 . 1 1 14 GLN CB C -1.062 5.748 4.167 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 17 . 4633 . 1 1 14 GLN CD C -0.164 7.311 5.936 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 17 . 4634 . 1 1 14 GLN CG C -0.776 7.190 4.555 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 17 . 4635 . 1 1 14 GLN H H -2.231 5.583 1.759 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 17 . 4636 . 1 1 14 GLN HA H 0.528 5.826 2.738 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 17 . 4637 . 1 1 14 GLN HB2 H -2.133 5.623 4.095 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4638 . 1 1 14 GLN HB3 H -0.684 5.106 4.949 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4639 . 1 1 14 GLN HE21 H -1.707 6.345 6.734 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 17 . 4640 . 1 1 14 GLN HE22 H -0.480 6.844 7.842 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 17 . 4641 . 1 1 14 GLN HG2 H -0.092 7.614 3.836 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 17 . 4642 . 1 1 14 GLN HG3 H -1.704 7.744 4.538 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 17 . 4643 . 1 1 14 GLN N N -1.268 5.756 1.723 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 17 . 4644 . 1 1 14 GLN NE2 N -0.853 6.781 6.939 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 17 . 4645 . 1 1 14 GLN O O -0.916 3.074 3.485 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 17 . 4646 . 1 1 14 GLN OE1 O 0.918 7.876 6.100 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 17 . 4647 . 1 1 15 CYS C C 1.277 1.342 3.305 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 17 . 4648 . 1 1 15 CYS CA C 1.092 1.969 1.927 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 17 . 4649 . 1 1 15 CYS CB C 2.358 1.770 1.091 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 17 . 4650 . 1 1 15 CYS H H 1.309 4.037 1.528 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 17 . 4651 . 1 1 15 CYS HA H 0.265 1.484 1.431 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 17 . 4652 . 1 1 15 CYS HB2 H 2.476 2.612 0.424 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 17 . 4653 . 1 1 15 CYS HB3 H 3.212 1.718 1.750 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 17 . 4654 . 1 1 15 CYS N N 0.779 3.389 2.039 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 17 . 4655 . 1 1 15 CYS O O 0.597 0.377 3.654 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 17 . 4656 . 1 1 15 CYS SG S 2.348 0.257 0.075 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 17 . 4657 . 1 1 16 NH2 HN1 H 3.148 1.675 3.917 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 17 . 4658 . 1 1 16 NH2 N N 2.156 1.828 4.114 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 18 . 4659 . 1 1 1 ACE C C 1.565 0.987 -2.194 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 18 . 4660 . 1 1 1 ACE CH3 C 2.157 0.054 -1.157 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 18 . 4661 . 1 1 1 ACE H1 H 3.144 -0.196 -1.545 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 18 . 4662 . 1 1 1 ACE H2 H 1.320 -0.639 -1.073 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 18 . 4663 . 1 1 1 ACE O O 0.364 0.942 -2.467 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 18 . 4664 . 1 1 2 TRP C C 2.039 2.171 -5.179 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 18 . 4665 . 1 1 2 TRP CA C 1.959 2.784 -3.786 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 18 . 4666 . 1 1 2 TRP CB C 2.802 4.059 -3.727 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 18 . 4667 . 1 1 2 TRP CD1 C 2.089 4.763 -1.368 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 18 . 4668 . 1 1 2 TRP CD2 C 4.292 4.903 -1.745 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4669 . 1 1 2 TRP CE2 C 4.035 5.314 -0.422 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4670 . 1 1 2 TRP CE3 C 5.612 4.906 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4671 . 1 1 2 TRP CG C 3.035 4.553 -2.331 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 18 . 4672 . 1 1 2 TRP CH2 C 6.330 5.719 -0.039 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 18 . 4673 . 1 1 2 TRP CZ2 C 5.048 5.726 0.439 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 18 . 4674 . 1 1 2 TRP CZ3 C 6.616 5.315 -1.349 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 18 . 4675 . 1 1 2 TRP H H 3.353 1.822 -2.514 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 18 . 4676 . 1 1 2 TRP HA H 0.931 3.034 -3.573 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 18 . 4677 . 1 1 2 TRP HB2 H 3.765 3.868 -4.177 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4678 . 1 1 2 TRP HB3 H 2.300 4.839 -4.279 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4679 . 1 1 2 TRP HD1 H 1.032 4.590 -1.505 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 18 . 4680 . 1 1 2 TRP HE1 H 2.216 5.442 0.615 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 18 . 4681 . 1 1 2 TRP HE3 H 5.851 4.598 -3.213 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4682 . 1 1 2 TRP HH2 H 7.146 6.031 0.595 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 18 . 4683 . 1 1 2 TRP HZ2 H 4.844 6.040 1.453 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 18 . 4684 . 1 1 2 TRP HZ3 H 7.641 5.324 -1.688 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 18 . 4685 . 1 1 2 TRP N N 2.406 1.835 -2.773 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 18 . 4686 . 1 1 2 TRP NE1 N 2.684 5.221 -0.217 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 18 . 4687 . 1 1 2 TRP O O 2.260 0.969 -5.329 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 18 . 4688 . 1 1 3 LYS C C 3.277 2.830 -8.198 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 18 . 4689 . 1 1 3 LYS CA C 1.911 2.545 -7.582 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 18 . 4690 . 1 1 3 LYS CB C 0.815 3.222 -8.408 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 18 . 4691 . 1 1 3 LYS CD C -0.711 2.571 -10.293 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 18 . 4692 . 1 1 3 LYS CE C -0.862 1.462 -11.324 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 18 . 4693 . 1 1 3 LYS CG C 0.731 2.716 -9.838 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 18 . 4694 . 1 1 3 LYS H H 1.685 3.952 -6.016 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 18 . 4695 . 1 1 3 LYS HA H 1.745 1.479 -7.584 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 18 . 4696 . 1 1 3 LYS HB2 H -0.138 3.050 -7.930 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4697 . 1 1 3 LYS HB3 H 1.007 4.285 -8.436 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4698 . 1 1 3 LYS HD2 H -1.329 2.338 -9.439 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4699 . 1 1 3 LYS HD3 H -1.036 3.503 -10.732 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 18 . 4700 . 1 1 3 LYS HE2 H -0.034 1.514 -12.014 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4701 . 1 1 3 LYS HE3 H -0.844 0.510 -10.814 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4702 . 1 1 3 LYS HG2 H 1.234 3.415 -10.489 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4703 . 1 1 3 LYS HG3 H 1.216 1.751 -9.897 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4704 . 1 1 3 LYS HZ1 H -2.542 0.637 -12.252 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 18 . 4705 . 1 1 3 LYS HZ2 H -2.821 2.152 -11.549 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 18 . 4706 . 1 1 3 LYS HZ3 H -1.962 2.039 -13.003 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 18 . 4707 . 1 1 3 LYS N N 1.858 3.004 -6.199 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 18 . 4708 . 1 1 3 LYS NZ N -2.136 1.581 -12.085 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 18 . 4709 . 1 1 3 LYS O O 3.947 3.796 -7.830 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 18 . 4710 . 1 1 4 THR C C 4.814 2.092 -11.322 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 18 . 4711 . 1 1 4 THR CA C 4.970 2.147 -9.806 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 18 . 4712 . 1 1 4 THR CB C 5.972 1.062 -9.367 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 18 . 4713 . 1 1 4 THR CG2 C 7.374 1.390 -9.859 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4714 . 1 1 4 THR H H 3.107 1.234 -9.390 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 18 . 4715 . 1 1 4 THR HA H 5.371 3.110 -9.530 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 18 . 4716 . 1 1 4 THR HB H 5.668 0.118 -9.795 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 18 . 4717 . 1 1 4 THR HG1 H 6.407 1.716 -7.559 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4718 . 1 1 4 THR HG21 H 8.079 0.700 -9.419 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 18 . 4719 . 1 1 4 THR HG22 H 7.408 1.303 -10.934 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 18 . 4720 . 1 1 4 THR HG23 H 7.630 2.398 -9.570 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 18 . 4721 . 1 1 4 THR N N 3.685 1.985 -9.140 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 18 . 4722 . 1 1 4 THR O O 4.283 1.123 -11.867 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 18 . 4723 . 1 1 4 THR OG1 O 5.975 0.949 -7.939 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4724 . 1 1 5 ILE C C 6.394 3.938 -14.040 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 18 . 4725 . 1 1 5 ILE CA C 5.191 3.207 -13.451 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 18 . 4726 . 1 1 5 ILE CB C 3.901 3.917 -13.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 18 . 4727 . 1 1 5 ILE CD1 C 1.376 3.960 -13.590 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 18 . 4728 . 1 1 5 ILE CG1 C 2.682 3.289 -13.226 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4729 . 1 1 5 ILE CG2 C 3.765 3.854 -15.418 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4730 . 1 1 5 ILE H H 5.691 3.880 -11.508 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 18 . 4731 . 1 1 5 ILE HA H 5.175 2.198 -13.833 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 18 . 4732 . 1 1 5 ILE HB H 3.969 4.956 -13.617 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 18 . 4733 . 1 1 5 ILE HD11 H 0.991 3.527 -14.502 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 18 . 4734 . 1 1 5 ILE HD12 H 0.662 3.812 -12.794 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 18 . 4735 . 1 1 5 ILE HD13 H 1.542 5.016 -13.733 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 18 . 4736 . 1 1 5 ILE HG12 H 2.613 2.252 -13.514 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 18 . 4737 . 1 1 5 ILE HG13 H 2.802 3.354 -12.154 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 18 . 4738 . 1 1 5 ILE HG21 H 2.875 3.298 -15.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 18 . 4739 . 1 1 5 ILE HG22 H 3.693 4.854 -15.815 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 18 . 4740 . 1 1 5 ILE HG23 H 4.630 3.361 -15.837 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 18 . 4741 . 1 1 5 ILE N N 5.279 3.138 -11.998 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 18 . 4742 . 1 1 5 ILE O O 6.699 5.065 -13.651 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 18 . 4743 . 1 1 6 . C C 9.354 4.130 -14.620 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 18 . 4744 . 1 1 6 . CA C 8.239 3.874 -15.626 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 18 . 4745 . 1 1 6 . CB C 7.863 5.176 -16.336 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 18 . 4746 . 1 1 6 . CD C 6.075 6.386 -17.623 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 18 . 4747 . 1 1 6 . CE C 5.227 6.855 -16.451 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 18 . 4748 . 1 1 6 . CG C 6.722 5.039 -17.335 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 18 . 4749 . 1 1 6 . CH C 5.207 8.637 -14.712 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 18 . 4750 . 1 1 6 . CH3 C 3.703 8.642 -14.583 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 18 . 4751 . 1 1 6 . H H 6.769 2.364 -15.255 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 18 . 4752 . 1 1 6 . HB2 H 7.573 5.923 -15.597 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4753 . 1 1 6 . HB3 H 8.731 5.563 -16.870 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4754 . 1 1 6 . HCA H 8.615 3.169 -16.369 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 18 . 4755 . 1 1 6 . HD2 H 6.850 7.128 -17.820 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4756 . 1 1 6 . HD3 H 5.442 6.305 -18.507 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 18 . 4757 . 1 1 6 . HE2 H 4.195 6.979 -16.773 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4758 . 1 1 6 . HE3 H 5.249 6.103 -15.661 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4759 . 1 1 6 . HG2 H 7.103 4.622 -18.269 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4760 . 1 1 6 . HG3 H 5.968 4.362 -16.936 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4761 . 1 1 6 . HH31 H 3.252 8.522 -15.569 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 18 . 4762 . 1 1 6 . HH32 H 3.391 7.819 -13.940 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 18 . 4763 . 1 1 6 . HH33 H 3.379 9.586 -14.148 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 18 . 4764 . 1 1 6 . HZ H 6.706 8.086 -15.717 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 18 . 4765 . 1 1 6 . N N 7.071 3.289 -14.981 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 18 . 4766 . 1 1 6 . NZ N 5.714 8.147 -15.893 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 18 . 4767 . 1 1 6 . O O 10.089 5.110 -14.728 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 18 . 4768 . 1 1 6 . OH O 6.008 9.052 -13.808 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 18 . 4769 . 1 1 7 GLY C C 10.489 4.757 -11.981 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 18 . 4770 . 1 1 7 GLY CA C 10.504 3.386 -12.627 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 18 . 4771 . 1 1 7 GLY H H 8.861 2.476 -13.604 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 18 . 4772 . 1 1 7 GLY HA2 H 10.352 2.638 -11.864 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 18 . 4773 . 1 1 7 GLY HA3 H 11.469 3.228 -13.086 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 18 . 4774 . 1 1 7 GLY N N 9.475 3.239 -13.640 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 18 . 4775 . 1 1 7 GLY O O 11.510 5.444 -11.943 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 18 . 4776 . 1 1 8 . C C 8.193 6.385 -9.669 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 18 . 4777 . 1 1 8 . CA C 9.182 6.454 -10.824 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 18 . 4778 . 1 1 8 . CB C 8.736 7.511 -11.837 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 18 . 4779 . 1 1 8 . CD C 10.467 8.530 -13.347 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 18 . 4780 . 1 1 8 . CE C 9.636 9.059 -14.506 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 18 . 4781 . 1 1 8 . CG C 9.721 8.656 -12.027 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 18 . 4782 . 1 1 8 . CH C 10.246 9.235 -16.913 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 18 . 4783 . 1 1 8 . CH3 C 9.016 9.862 -17.524 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 18 . 4784 . 1 1 8 . H H 8.527 4.545 -11.535 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 18 . 4785 . 1 1 8 . HB2 H 8.578 7.041 -12.808 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4786 . 1 1 8 . HB3 H 7.783 7.937 -11.521 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4787 . 1 1 8 . HCA H 10.150 6.750 -10.417 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 18 . 4788 . 1 1 8 . HD2 H 11.400 9.093 -13.292 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4789 . 1 1 8 . HD3 H 10.706 7.483 -13.532 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 18 . 4790 . 1 1 8 . HE2 H 8.584 8.842 -14.328 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4791 . 1 1 8 . HE3 H 9.755 10.140 -14.576 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4792 . 1 1 8 . HG2 H 9.184 9.606 -12.012 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4793 . 1 1 8 . HG3 H 10.443 8.654 -11.210 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4794 . 1 1 8 . HH31 H 8.737 10.748 -16.954 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 18 . 4795 . 1 1 8 . HH32 H 9.229 10.146 -18.556 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 18 . 4796 . 1 1 8 . HH33 H 8.196 9.146 -17.506 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 18 . 4797 . 1 1 8 . HZ H 10.916 7.963 -15.689 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 18 . 4798 . 1 1 8 . N N 9.329 5.156 -11.471 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 18 . 4799 . 1 1 8 . NZ N 10.039 8.450 -15.803 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 18 . 4800 . 1 1 8 . O O 7.196 5.664 -9.731 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 18 . 4801 . 1 1 8 . OH O 11.431 9.391 -17.359 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 18 . 4802 . 1 1 9 THR C C 6.789 8.448 -7.385 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 18 . 4803 . 1 1 9 THR CA C 7.608 7.164 -7.438 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 18 . 4804 . 1 1 9 THR CB C 8.422 7.032 -6.137 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 18 . 4805 . 1 1 9 THR CG2 C 7.838 5.950 -5.240 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4806 . 1 1 9 THR H H 9.282 7.693 -8.621 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 18 . 4807 . 1 1 9 THR HA H 6.934 6.321 -7.504 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 18 . 4808 . 1 1 9 THR HB H 8.384 7.975 -5.610 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 18 . 4809 . 1 1 9 THR HG1 H 10.365 7.210 -5.850 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4810 . 1 1 9 THR HG21 H 8.067 6.175 -4.210 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 18 . 4811 . 1 1 9 THR HG22 H 6.767 5.913 -5.371 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 18 . 4812 . 1 1 9 THR HG23 H 8.266 4.995 -5.505 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 18 . 4813 . 1 1 9 THR N N 8.473 7.140 -8.610 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 18 . 4814 . 1 1 9 THR O O 6.852 9.273 -8.296 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 18 . 4815 . 1 1 9 THR OG1 O 9.786 6.722 -6.442 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4816 . 1 1 10 TRP C C 4.436 9.747 -4.818 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 18 . 4817 . 1 1 10 TRP CA C 5.194 9.799 -6.140 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 18 . 4818 . 1 1 10 TRP CB C 4.206 9.928 -7.301 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 18 . 4819 . 1 1 10 TRP CD1 C 2.601 7.954 -6.996 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 18 . 4820 . 1 1 10 TRP CD2 C 3.853 7.845 -8.850 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4821 . 1 1 10 TRP CE2 C 3.021 6.710 -8.802 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4822 . 1 1 10 TRP CE3 C 4.728 7.993 -9.930 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4823 . 1 1 10 TRP CG C 3.568 8.628 -7.686 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 18 . 4824 . 1 1 10 TRP CH2 C 3.907 5.900 -10.836 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 18 . 4825 . 1 1 10 TRP CZ2 C 3.041 5.730 -9.791 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 18 . 4826 . 1 1 10 TRP CZ3 C 4.747 7.020 -10.910 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 18 . 4827 . 1 1 10 TRP H H 6.018 7.919 -5.618 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 18 . 4828 . 1 1 10 TRP HA H 5.845 10.661 -6.135 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 18 . 4829 . 1 1 10 TRP HB2 H 3.422 10.617 -7.024 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4830 . 1 1 10 TRP HB3 H 4.729 10.313 -8.166 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4831 . 1 1 10 TRP HD1 H 2.173 8.291 -6.065 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 18 . 4832 . 1 1 10 TRP HE1 H 1.598 6.147 -7.367 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 18 . 4833 . 1 1 10 TRP HE3 H 5.382 8.849 -10.004 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4834 . 1 1 10 TRP HH2 H 3.956 5.165 -11.625 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 18 . 4835 . 1 1 10 TRP HZ2 H 2.400 4.861 -9.748 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 18 . 4836 . 1 1 10 TRP HZ3 H 5.417 7.118 -11.752 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 18 . 4837 . 1 1 10 TRP N N 6.024 8.612 -6.312 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 18 . 4838 . 1 1 10 TRP NE1 N 2.268 6.800 -7.661 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 18 . 4839 . 1 1 10 TRP O O 4.206 10.776 -4.183 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 18 . 4840 . 1 1 11 ARG C C 1.958 9.041 -3.223 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 18 . 4841 . 1 1 11 ARG CA C 3.321 8.357 -3.160 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 18 . 4842 . 1 1 11 ARG CB C 4.128 8.910 -1.984 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 18 . 4843 . 1 1 11 ARG CD C 2.817 9.616 0.040 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 18 . 4844 . 1 1 11 ARG CG C 3.591 8.490 -0.625 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 18 . 4845 . 1 1 11 ARG CZ C 3.612 9.644 2.367 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 18 . 4846 . 1 1 11 ARG H H 4.267 7.759 -4.957 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 18 . 4847 . 1 1 11 ARG HA H 3.172 7.297 -3.016 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 18 . 4848 . 1 1 11 ARG HB2 H 5.147 8.562 -2.066 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4849 . 1 1 11 ARG HB3 H 4.119 9.988 -2.032 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4850 . 1 1 11 ARG HD2 H 3.350 10.543 -0.115 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4851 . 1 1 11 ARG HD3 H 1.840 9.683 -0.415 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 18 . 4852 . 1 1 11 ARG HE H 1.797 9.051 1.789 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 18 . 4853 . 1 1 11 ARG HG2 H 2.932 7.644 -0.755 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4854 . 1 1 11 ARG HG3 H 4.419 8.209 0.008 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4855 . 1 1 11 ARG HH11 H 4.955 10.286 1.002 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 18 . 4856 . 1 1 11 ARG HH12 H 5.503 10.300 2.646 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 18 . 4857 . 1 1 11 ARG HH21 H 2.507 9.064 3.957 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 18 . 4858 . 1 1 11 ARG HH22 H 4.110 9.605 4.325 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 18 . 4859 . 1 1 11 ARG N N 4.053 8.542 -4.407 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 18 . 4860 . 1 1 11 ARG NE N 2.658 9.398 1.476 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 18 . 4861 . 1 1 11 ARG NH1 N 4.786 10.115 1.972 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 18 . 4862 . 1 1 11 ARG NH2 N 3.391 9.419 3.656 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 18 . 4863 . 1 1 11 ARG O O 1.865 10.268 -3.177 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 18 . 4864 . 1 1 12 THR C C -1.241 8.428 -2.138 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 18 . 4865 . 1 1 12 THR CA C -0.454 8.766 -3.398 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 18 . 4866 . 1 1 12 THR CB C -1.207 8.217 -4.624 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 18 . 4867 . 1 1 12 THR CG2 C -1.053 6.706 -4.721 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4868 . 1 1 12 THR H H 1.043 7.269 -3.360 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 18 . 4869 . 1 1 12 THR HA H -0.389 9.841 -3.493 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 18 . 4870 . 1 1 12 THR HB H -0.789 8.664 -5.515 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 18 . 4871 . 1 1 12 THR HG1 H -3.101 7.982 -5.120 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4872 . 1 1 12 THR HG21 H -1.564 6.348 -5.602 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 18 . 4873 . 1 1 12 THR HG22 H -0.005 6.455 -4.786 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 18 . 4874 . 1 1 12 THR HG23 H -1.480 6.243 -3.844 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 18 . 4875 . 1 1 12 THR N N 0.903 8.239 -3.328 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 18 . 4876 . 1 1 12 THR O O -2.003 9.250 -1.631 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 18 . 4877 . 1 1 12 THR OG1 O -2.595 8.555 -4.538 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 18 . 4878 . 1 1 13 . C C -0.754 6.375 0.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 18 . 4879 . 1 1 13 . CA C -1.742 6.763 -0.434 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 18 . 4880 . 1 1 13 . CB C -2.662 5.583 -0.754 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 18 . 4881 . 1 1 13 . CD C -4.956 4.560 -0.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 18 . 4882 . 1 1 13 . CE C -6.118 4.412 0.313 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 18 . 4883 . 1 1 13 . CG C -4.110 5.781 -0.326 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 18 . 4884 . 1 1 13 . CH C -6.656 2.344 1.590 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 18 . 4885 . 1 1 13 . CH3 C -6.828 1.402 0.422 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 18 . 4886 . 1 1 13 . H H -0.411 6.583 -2.100 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 18 . 4887 . 1 1 13 . HB2 H -2.653 5.394 -1.828 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4888 . 1 1 13 . HB3 H -2.287 4.685 -0.261 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4889 . 1 1 13 . HCA H -2.351 7.586 -0.056 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 18 . 4890 . 1 1 13 . HD2 H -5.349 4.654 -1.671 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 18 . 4891 . 1 1 13 . HD3 H -4.338 3.664 -0.607 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 18 . 4892 . 1 1 13 . HE2 H -6.333 5.374 0.774 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4893 . 1 1 13 . HE3 H -7.007 4.088 -0.230 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 18 . 4894 . 1 1 13 . HG2 H -4.151 5.959 0.750 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4895 . 1 1 13 . HG3 H -4.525 6.649 -0.837 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4896 . 1 1 13 . HH31 H -6.056 0.633 0.457 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 18 . 4897 . 1 1 13 . HH32 H -7.811 0.933 0.476 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 18 . 4898 . 1 1 13 . HH33 H -6.742 1.959 -0.509 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 18 . 4899 . 1 1 13 . HZ H -4.925 2.995 1.214 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 18 . 4900 . 1 1 13 . N N -1.051 7.211 -1.636 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 18 . 4901 . 1 1 13 . NZ N -5.826 3.420 1.384 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 18 . 4902 . 1 1 13 . O O 0.445 6.625 0.539 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 18 . 4903 . 1 1 13 . OH O -7.227 2.196 2.723 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 18 . 4904 . 1 1 14 GLN C C -0.206 3.831 2.812 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 18 . 4905 . 1 1 14 GLN CA C -0.425 5.341 2.836 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 18 . 4906 . 1 1 14 GLN CB C -1.059 5.755 4.165 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 18 . 4907 . 1 1 14 GLN CD C -0.311 7.667 5.637 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 18 . 4908 . 1 1 14 GLN CG C -1.072 7.258 4.391 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 18 . 4909 . 1 1 14 GLN H H -2.228 5.592 1.757 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 18 . 4910 . 1 1 14 GLN HA H 0.531 5.832 2.735 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 18 . 4911 . 1 1 14 GLN HB2 H -2.078 5.399 4.189 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4912 . 1 1 14 GLN HB3 H -0.507 5.296 4.972 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4913 . 1 1 14 GLN HE21 H -1.601 9.143 5.969 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 18 . 4914 . 1 1 14 GLN HE22 H -0.320 8.991 7.119 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 18 . 4915 . 1 1 14 GLN HG2 H -0.620 7.741 3.538 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 18 . 4916 . 1 1 14 GLN HG3 H -2.096 7.585 4.488 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 18 . 4917 . 1 1 14 GLN N N -1.265 5.763 1.721 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 18 . 4918 . 1 1 14 GLN NE2 N -0.792 8.706 6.310 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 18 . 4919 . 1 1 14 GLN O O -0.914 3.080 3.482 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 18 . 4920 . 1 1 14 GLN OE1 O 0.698 7.057 5.991 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 18 . 4921 . 1 1 15 CYS C C 1.277 1.347 3.299 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 18 . 4922 . 1 1 15 CYS CA C 1.091 1.975 1.921 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 18 . 4923 . 1 1 15 CYS CB C 2.355 1.774 1.083 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 18 . 4924 . 1 1 15 CYS H H 1.309 4.042 1.522 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 18 . 4925 . 1 1 15 CYS HA H 0.262 1.490 1.428 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 18 . 4926 . 1 1 15 CYS HB2 H 2.471 2.615 0.413 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 18 . 4927 . 1 1 15 CYS HB3 H 3.210 1.724 1.740 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 18 . 4928 . 1 1 15 CYS N N 0.778 3.394 2.034 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 18 . 4929 . 1 1 15 CYS O O 0.806 0.239 3.556 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 18 . 4930 . 1 1 15 CYS SG S 2.343 0.260 0.069 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 18 . 4931 . 1 1 16 NH2 HN1 H 2.957 1.938 4.201 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 18 . 4932 . 1 1 16 NH2 N N 1.935 1.986 4.206 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 19 . 4933 . 1 1 1 ACE C C 1.620 0.998 -2.190 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 19 . 4934 . 1 1 1 ACE CH3 C 2.230 0.062 -1.165 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 19 . 4935 . 1 1 1 ACE H1 H 3.234 -0.141 -1.537 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 19 . 4936 . 1 1 1 ACE H2 H 1.432 -0.679 -1.119 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 19 . 4937 . 1 1 1 ACE O O 0.413 0.964 -2.430 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 19 . 4938 . 1 1 2 TRP C C 2.063 2.183 -5.196 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 19 . 4939 . 1 1 2 TRP CA C 1.988 2.787 -3.798 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 19 . 4940 . 1 1 2 TRP CB C 2.819 4.070 -3.737 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 19 . 4941 . 1 1 2 TRP CD1 C 2.119 4.750 -1.368 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 19 . 4942 . 1 1 2 TRP CD2 C 4.317 4.918 -1.763 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 19 . 4943 . 1 1 2 TRP CE2 C 4.067 5.319 -0.436 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 19 . 4944 . 1 1 2 TRP CE3 C 5.632 4.940 -2.236 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 19 . 4945 . 1 1 2 TRP CG C 3.058 4.558 -2.341 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 19 . 4946 . 1 1 2 TRP CH2 C 6.361 5.747 -0.070 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 19 . 4947 . 1 1 2 TRP CZ2 C 5.083 5.736 0.420 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 19 . 4948 . 1 1 2 TRP CZ3 C 6.639 5.355 -1.387 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 19 . 4949 . 1 1 2 TRP H H 3.406 1.815 -2.560 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 19 . 4950 . 1 1 2 TRP HA H 0.958 3.024 -3.575 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 19 . 4951 . 1 1 2 TRP HB2 H 3.779 3.892 -4.197 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 4952 . 1 1 2 TRP HB3 H 2.303 4.849 -4.281 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 4953 . 1 1 2 TRP HD1 H 1.064 4.566 -1.497 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 19 . 4954 . 1 1 2 TRP HE1 H 2.256 5.418 0.619 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 19 . 4955 . 1 1 2 TRP HE3 H 5.866 4.642 -3.247 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 4956 . 1 1 2 TRP HH2 H 7.179 6.064 0.559 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 19 . 4957 . 1 1 2 TRP HZ2 H 4.885 6.040 1.437 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 19 . 4958 . 1 1 2 TRP HZ3 H 7.661 5.379 -1.735 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 19 . 4959 . 1 1 2 TRP N N 2.454 1.836 -2.795 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 19 . 4960 . 1 1 2 TRP NE1 N 2.719 5.207 -0.220 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 19 . 4961 . 1 1 2 TRP O O 2.295 0.984 -5.353 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 19 . 4962 . 1 1 3 LYS C C 3.281 2.845 -8.210 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 19 . 4963 . 1 1 3 LYS CA C 1.912 2.570 -7.595 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 19 . 4964 . 1 1 3 LYS CB C 0.823 3.264 -8.415 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 19 . 4965 . 1 1 3 LYS CD C -0.437 3.392 -10.584 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 19 . 4966 . 1 1 3 LYS CE C -0.900 2.498 -11.723 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 19 . 4967 . 1 1 3 LYS CG C 0.757 2.796 -9.858 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 19 . 4968 . 1 1 3 LYS H H 1.685 3.965 -6.019 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 19 . 4969 . 1 1 3 LYS HA H 1.735 1.505 -7.603 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 19 . 4970 . 1 1 3 LYS HB2 H -0.134 3.075 -7.953 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 4971 . 1 1 3 LYS HB3 H 1.011 4.329 -8.412 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 4972 . 1 1 3 LYS HD2 H -1.249 3.514 -9.883 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 19 . 4973 . 1 1 3 LYS HD3 H -0.158 4.357 -10.985 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 19 . 4974 . 1 1 3 LYS HE2 H -1.331 3.116 -12.496 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 19 . 4975 . 1 1 3 LYS HE3 H -0.045 1.970 -12.119 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 4976 . 1 1 3 LYS HG2 H 1.661 3.097 -10.367 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 4977 . 1 1 3 LYS HG3 H 0.676 1.719 -9.874 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 4978 . 1 1 3 LYS HZ1 H -2.853 1.760 -11.648 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 19 . 4979 . 1 1 3 LYS HZ2 H -1.664 0.556 -11.613 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 19 . 4980 . 1 1 3 LYS HZ3 H -1.963 1.490 -10.234 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 19 . 4981 . 1 1 3 LYS N N 1.866 3.020 -6.208 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 19 . 4982 . 1 1 3 LYS NZ N -1.916 1.507 -11.273 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 19 . 4983 . 1 1 3 LYS O O 3.959 3.804 -7.840 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 19 . 4984 . 1 1 4 THR C C 4.811 2.098 -11.335 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 19 . 4985 . 1 1 4 THR CA C 4.968 2.149 -9.820 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 19 . 4986 . 1 1 4 THR CB C 5.962 1.057 -9.381 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 19 . 4987 . 1 1 4 THR CG2 C 7.358 1.353 -9.904 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 19 . 4988 . 1 1 4 THR H H 3.097 1.252 -9.404 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 19 . 4989 . 1 1 4 THR HA H 5.376 3.111 -9.543 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 19 . 4990 . 1 1 4 THR HB H 5.634 0.110 -9.786 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 19 . 4991 . 1 1 4 THR HG1 H 6.012 0.045 -7.688 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 19 . 4992 . 1 1 4 THR HG21 H 7.501 0.855 -10.851 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 19 . 4993 . 1 1 4 THR HG22 H 7.475 2.419 -10.037 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 19 . 4994 . 1 1 4 THR HG23 H 8.091 0.997 -9.196 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 19 . 4995 . 1 1 4 THR N N 3.682 1.997 -9.153 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 19 . 4996 . 1 1 4 THR O O 4.286 1.127 -11.882 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 19 . 4997 . 1 1 4 THR OG1 O 5.991 0.968 -7.951 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 19 . 4998 . 1 1 5 ILE C C 6.382 3.955 -14.050 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 19 . 4999 . 1 1 5 ILE CA C 5.183 3.217 -13.463 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 19 . 5000 . 1 1 5 ILE CB C 3.890 3.922 -13.915 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 19 . 5001 . 1 1 5 ILE CD1 C 1.364 3.942 -13.612 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 19 . 5002 . 1 1 5 ILE CG1 C 2.674 3.286 -13.238 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 19 . 5003 . 1 1 5 ILE CG2 C 3.754 3.859 -15.429 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5004 . 1 1 5 ILE H H 5.680 3.889 -11.518 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 19 . 5005 . 1 1 5 ILE HA H 5.171 2.208 -13.846 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 19 . 5006 . 1 1 5 ILE HB H 3.953 4.960 -13.626 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 19 . 5007 . 1 1 5 ILE HD11 H 1.557 4.813 -14.220 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 19 . 5008 . 1 1 5 ILE HD12 H 0.757 3.242 -14.167 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 19 . 5009 . 1 1 5 ILE HD13 H 0.840 4.239 -12.714 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 19 . 5010 . 1 1 5 ILE HG12 H 2.616 2.247 -13.517 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 19 . 5011 . 1 1 5 ILE HG13 H 2.789 3.361 -12.165 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 19 . 5012 . 1 1 5 ILE HG21 H 4.597 3.328 -15.844 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 19 . 5013 . 1 1 5 ILE HG22 H 2.841 3.342 -15.686 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 19 . 5014 . 1 1 5 ILE HG23 H 3.726 4.861 -15.829 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 19 . 5015 . 1 1 5 ILE N N 5.272 3.146 -12.010 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 19 . 5016 . 1 1 5 ILE O O 6.683 5.082 -13.660 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 19 . 5017 . 1 1 6 . C C 9.350 4.140 -14.635 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 19 . 5018 . 1 1 6 . CA C 8.228 3.901 -15.637 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 19 . 5019 . 1 1 6 . CB C 7.850 5.214 -16.327 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 19 . 5020 . 1 1 6 . CD C 6.034 6.465 -17.533 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 19 . 5021 . 1 1 6 . CE C 5.221 6.928 -16.334 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 19 . 5022 . 1 1 6 . CG C 6.667 5.104 -17.281 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 19 . 5023 . 1 1 6 . CH C 5.160 8.764 -14.655 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 19 . 5024 . 1 1 6 . CH3 C 3.752 9.278 -14.837 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 19 . 5025 . 1 1 6 . H H 6.764 2.384 -15.268 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 19 . 5026 . 1 1 6 . HB2 H 7.604 5.963 -15.575 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5027 . 1 1 6 . HB3 H 8.704 5.586 -16.894 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5028 . 1 1 6 . HCA H 8.598 3.206 -16.392 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 19 . 5029 . 1 1 6 . HD2 H 6.815 7.197 -17.738 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 19 . 5030 . 1 1 6 . HD3 H 5.379 6.405 -18.402 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 19 . 5031 . 1 1 6 . HE2 H 4.185 7.081 -16.633 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 19 . 5032 . 1 1 6 . HE3 H 5.243 6.159 -15.560 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 5033 . 1 1 6 . HG2 H 7.004 4.688 -18.231 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5034 . 1 1 6 . HG3 H 5.919 4.437 -16.856 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 5035 . 1 1 6 . HH31 H 3.779 10.237 -15.355 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 19 . 5036 . 1 1 6 . HH32 H 3.179 8.562 -15.428 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 19 . 5037 . 1 1 6 . HH33 H 3.283 9.405 -13.864 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 19 . 5038 . 1 1 6 . HZ H 6.708 8.066 -15.478 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 19 . 5039 . 1 1 6 . N N 7.062 3.309 -14.992 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 19 . 5040 . 1 1 6 . NZ N 5.748 8.197 -15.761 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 19 . 5041 . 1 1 6 . O O 10.086 5.121 -14.734 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 19 . 5042 . 1 1 6 . OH O 5.812 8.828 -13.559 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 19 . 5043 . 1 1 7 GLY C C 10.503 4.730 -11.995 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 19 . 5044 . 1 1 7 GLY CA C 10.510 3.368 -12.659 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 19 . 5045 . 1 1 7 GLY H H 8.859 2.475 -13.638 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 19 . 5046 . 1 1 7 GLY HA2 H 10.361 2.610 -11.905 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 19 . 5047 . 1 1 7 GLY HA3 H 11.472 3.213 -13.126 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 19 . 5048 . 1 1 7 GLY N N 9.475 3.237 -13.667 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 19 . 5049 . 1 1 7 GLY O O 11.524 5.419 -11.964 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 19 . 5050 . 1 1 8 . C C 8.229 6.328 -9.635 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 19 . 5051 . 1 1 8 . CA C 9.211 6.410 -10.796 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 19 . 5052 . 1 1 8 . CB C 8.762 7.482 -11.791 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 19 . 5053 . 1 1 8 . CD C 10.695 8.381 -13.122 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 19 . 5054 . 1 1 8 . CE C 10.404 9.314 -14.288 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 19 . 5055 . 1 1 8 . CG C 9.745 8.633 -11.960 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 19 . 5056 . 1 1 8 . CH C 11.544 10.208 -16.312 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 19 . 5057 . 1 1 8 . CH3 C 12.828 10.290 -17.101 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 19 . 5058 . 1 1 8 . H H 8.549 4.509 -11.520 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 19 . 5059 . 1 1 8 . HB2 H 8.605 7.028 -12.769 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5060 . 1 1 8 . HB3 H 7.808 7.901 -11.468 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5061 . 1 1 8 . HCA H 10.184 6.697 -10.391 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 19 . 5062 . 1 1 8 . HD2 H 11.723 8.535 -12.792 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 19 . 5063 . 1 1 8 . HD3 H 10.592 7.350 -13.460 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 19 . 5064 . 1 1 8 . HE2 H 9.678 8.850 -14.954 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 19 . 5065 . 1 1 8 . HE3 H 9.977 10.245 -13.912 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 5066 . 1 1 8 . HG2 H 9.194 9.557 -12.146 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5067 . 1 1 8 . HG3 H 10.326 8.754 -11.047 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 5068 . 1 1 8 . HH31 H 12.603 10.532 -18.140 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 19 . 5069 . 1 1 8 . HH32 H 13.465 11.068 -16.677 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 19 . 5070 . 1 1 8 . HH33 H 13.344 9.332 -17.055 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 19 . 5071 . 1 1 8 . HZ H 12.202 10.284 -14.544 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 19 . 5072 . 1 1 8 . N N 9.350 5.121 -11.462 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 19 . 5073 . 1 1 8 . NZ N 11.633 9.633 -15.066 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 19 . 5074 . 1 1 8 . O O 7.288 5.534 -9.659 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 19 . 5075 . 1 1 8 . OH O 10.415 10.633 -16.730 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 19 . 5076 . 1 1 9 THR C C 6.766 8.455 -7.390 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 19 . 5077 . 1 1 9 THR CA C 7.588 7.174 -7.445 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 19 . 5078 . 1 1 9 THR CB C 8.402 7.043 -6.143 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 19 . 5079 . 1 1 9 THR CG2 C 7.747 6.053 -5.192 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5080 . 1 1 9 THR H H 9.220 7.762 -8.657 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 19 . 5081 . 1 1 9 THR HA H 6.917 6.329 -7.511 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 19 . 5082 . 1 1 9 THR HB H 8.441 8.010 -5.663 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 19 . 5083 . 1 1 9 THR HG1 H 10.249 7.362 -6.757 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 19 . 5084 . 1 1 9 THR HG21 H 8.509 5.464 -4.705 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 19 . 5085 . 1 1 9 THR HG22 H 7.178 6.591 -4.449 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 19 . 5086 . 1 1 9 THR HG23 H 7.088 5.402 -5.747 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 19 . 5087 . 1 1 9 THR N N 8.453 7.153 -8.618 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 19 . 5088 . 1 1 9 THR O O 6.825 9.281 -8.302 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 19 . 5089 . 1 1 9 THR OG1 O 9.736 6.615 -6.441 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 19 . 5090 . 1 1 10 TRP C C 4.411 9.745 -4.820 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 19 . 5091 . 1 1 10 TRP CA C 5.167 9.800 -6.143 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 19 . 5092 . 1 1 10 TRP CB C 4.179 9.928 -7.304 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 19 . 5093 . 1 1 10 TRP CD1 C 2.582 7.946 -7.001 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 19 . 5094 . 1 1 10 TRP CD2 C 3.832 7.844 -8.856 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 19 . 5095 . 1 1 10 TRP CE2 C 3.005 6.705 -8.808 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 19 . 5096 . 1 1 10 TRP CE3 C 4.706 7.999 -9.936 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 19 . 5097 . 1 1 10 TRP CG C 3.545 8.625 -7.690 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 19 . 5098 . 1 1 10 TRP CH2 C 3.893 5.904 -10.846 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 19 . 5099 . 1 1 10 TRP CZ2 C 3.029 5.727 -9.800 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 19 . 5100 . 1 1 10 TRP CZ3 C 4.728 7.027 -10.919 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 19 . 5101 . 1 1 10 TRP H H 5.996 7.923 -5.624 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 19 . 5102 . 1 1 10 TRP HA H 5.815 10.664 -6.138 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 19 . 5103 . 1 1 10 TRP HB2 H 3.391 10.611 -7.025 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5104 . 1 1 10 TRP HB3 H 4.697 10.315 -8.168 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5105 . 1 1 10 TRP HD1 H 2.153 8.279 -6.068 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 19 . 5106 . 1 1 10 TRP HE1 H 1.586 6.134 -7.373 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 19 . 5107 . 1 1 10 TRP HE3 H 5.356 8.858 -10.010 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 5108 . 1 1 10 TRP HH2 H 3.945 5.170 -11.635 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 19 . 5109 . 1 1 10 TRP HZ2 H 2.391 4.856 -9.758 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 19 . 5110 . 1 1 10 TRP HZ3 H 5.396 7.129 -11.760 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 19 . 5111 . 1 1 10 TRP N N 6.001 8.616 -6.317 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 19 . 5112 . 1 1 10 TRP NE1 N 2.253 6.790 -7.668 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 19 . 5113 . 1 1 10 TRP O O 4.179 10.774 -4.184 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 19 . 5114 . 1 1 11 ARG C C 1.936 9.032 -3.224 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 19 . 5115 . 1 1 11 ARG CA C 3.300 8.351 -3.163 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 19 . 5116 . 1 1 11 ARG CB C 4.106 8.906 -1.987 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 19 . 5117 . 1 1 11 ARG CD C 2.789 9.601 0.037 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 19 . 5118 . 1 1 11 ARG CG C 3.573 8.482 -0.628 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 19 . 5119 . 1 1 11 ARG CZ C 3.232 11.575 1.435 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 19 . 5120 . 1 1 11 ARG H H 4.245 7.758 -4.962 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 19 . 5121 . 1 1 11 ARG HA H 3.155 7.291 -3.020 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 19 . 5122 . 1 1 11 ARG HB2 H 5.127 8.562 -2.071 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5123 . 1 1 11 ARG HB3 H 4.094 9.984 -2.034 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5124 . 1 1 11 ARG HD2 H 2.344 10.217 -0.731 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 19 . 5125 . 1 1 11 ARG HD3 H 2.010 9.166 0.645 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 19 . 5126 . 1 1 11 ARG HE H 4.556 10.136 1.042 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 19 . 5127 . 1 1 11 ARG HG2 H 2.923 7.629 -0.758 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5128 . 1 1 11 ARG HG3 H 4.405 8.209 0.005 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 5129 . 1 1 11 ARG HH11 H 1.367 11.480 0.666 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 19 . 5130 . 1 1 11 ARG HH12 H 1.692 12.865 1.653 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 19 . 5131 . 1 1 11 ARG HH21 H 4.997 11.956 2.343 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 19 . 5132 . 1 1 11 ARG HH22 H 3.758 13.136 2.607 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 19 . 5133 . 1 1 11 ARG N N 4.031 8.539 -4.411 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 19 . 5134 . 1 1 11 ARG NE N 3.639 10.438 0.881 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 19 . 5135 . 1 1 11 ARG NH1 N 1.996 12.009 1.234 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 19 . 5136 . 1 1 11 ARG NH2 N 4.065 12.281 2.191 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 19 . 5137 . 1 1 11 ARG O O 1.839 10.258 -3.179 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 19 . 5138 . 1 1 12 THR C C -1.253 8.431 -2.123 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 19 . 5139 . 1 1 12 THR CA C -0.476 8.750 -3.395 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 19 . 5140 . 1 1 12 THR CB C -1.237 8.178 -4.605 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 19 . 5141 . 1 1 12 THR CG2 C -1.080 6.667 -4.679 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5142 . 1 1 12 THR H H 1.025 7.258 -3.357 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 19 . 5143 . 1 1 12 THR HA H -0.415 9.823 -3.508 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 19 . 5144 . 1 1 12 THR HB H -0.828 8.612 -5.506 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 19 . 5145 . 1 1 12 THR HG1 H -2.963 8.726 -5.387 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 19 . 5146 . 1 1 12 THR HG21 H -0.032 6.418 -4.762 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 19 . 5147 . 1 1 12 THR HG22 H -1.487 6.219 -3.784 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 19 . 5148 . 1 1 12 THR HG23 H -1.609 6.292 -5.542 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 19 . 5149 . 1 1 12 THR N N 0.883 8.227 -3.326 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 19 . 5150 . 1 1 12 THR O O -2.019 9.258 -1.628 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 19 . 5151 . 1 1 12 THR OG1 O -2.626 8.514 -4.513 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 19 . 5152 . 1 1 13 . C C -0.731 6.379 0.689 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 19 . 5153 . 1 1 13 . CA C -1.730 6.797 -0.382 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 19 . 5154 . 1 1 13 . CB C -2.691 5.647 -0.684 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 19 . 5155 . 1 1 13 . CD C -5.100 5.426 -1.367 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 19 . 5156 . 1 1 13 . CE C -5.258 3.914 -1.318 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 19 . 5157 . 1 1 13 . CG C -4.138 5.917 -0.295 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 19 . 5158 . 1 1 13 . CH C -6.747 2.609 -2.826 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 19 . 5159 . 1 1 13 . CH3 C -6.905 1.402 -1.936 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 19 . 5160 . 1 1 13 . H H -0.407 6.594 -2.051 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 19 . 5161 . 1 1 13 . HB2 H -2.667 5.422 -1.750 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5162 . 1 1 13 . HB3 H -2.363 4.751 -0.155 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5163 . 1 1 13 . HCA H -2.305 7.638 0.009 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 19 . 5164 . 1 1 13 . HD2 H -6.076 5.891 -1.222 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 19 . 5165 . 1 1 13 . HD3 H -4.725 5.711 -2.350 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 19 . 5166 . 1 1 13 . HE2 H -4.331 3.462 -0.972 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 19 . 5167 . 1 1 13 . HE3 H -6.050 3.654 -0.614 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 19 . 5168 . 1 1 13 . HG2 H -4.365 5.410 0.644 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5169 . 1 1 13 . HG3 H -4.283 6.988 -0.154 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 5170 . 1 1 13 . HH31 H -6.301 0.581 -2.322 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 19 . 5171 . 1 1 13 . HH32 H -6.577 1.651 -0.925 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 19 . 5172 . 1 1 13 . HH33 H -7.951 1.101 -1.913 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 19 . 5173 . 1 1 13 . HZ H -5.695 4.096 -3.323 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 19 . 5174 . 1 1 13 . N N -1.049 7.227 -1.596 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 19 . 5175 . 1 1 13 . NZ N -5.600 3.347 -2.651 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 19 . 5176 . 1 1 13 . O O 0.472 6.593 0.547 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 19 . 5177 . 1 1 13 . OH O -7.598 2.968 -3.709 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 19 . 5178 . 1 1 14 GLN C C -0.191 3.822 2.811 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 19 . 5179 . 1 1 14 GLN CA C -0.391 5.333 2.861 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 19 . 5180 . 1 1 14 GLN CB C -1.002 5.735 4.204 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 19 . 5181 . 1 1 14 GLN CD C -2.106 7.691 5.360 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 19 . 5182 . 1 1 14 GLN CG C -0.975 7.233 4.460 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 19 . 5183 . 1 1 14 GLN H H -2.207 5.640 1.818 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 19 . 5184 . 1 1 14 GLN HA H 0.570 5.814 2.754 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 19 . 5185 . 1 1 14 GLN HB2 H -2.029 5.404 4.231 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5186 . 1 1 14 GLN HB3 H -0.454 5.246 4.995 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5187 . 1 1 14 GLN HE21 H -0.973 7.405 6.968 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 19 . 5188 . 1 1 14 GLN HE22 H -2.572 7.987 7.270 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 19 . 5189 . 1 1 14 GLN HG2 H -0.037 7.489 4.929 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 19 . 5190 . 1 1 14 GLN HG3 H -1.056 7.749 3.514 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 19 . 5191 . 1 1 14 GLN N N -1.239 5.781 1.763 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 19 . 5192 . 1 1 14 GLN NE2 N -1.861 7.694 6.665 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 19 . 5193 . 1 1 14 GLN O O -0.923 3.066 3.451 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 19 . 5194 . 1 1 14 GLN OE1 O -3.189 8.039 4.888 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 19 . 5195 . 1 1 15 CYS C C 1.249 1.308 3.283 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 19 . 5196 . 1 1 15 CYS CA C 1.102 1.965 1.914 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 19 . 5197 . 1 1 15 CYS CB C 2.382 1.764 1.100 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 19 . 5198 . 1 1 15 CYS H H 1.355 4.036 1.561 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 19 . 5199 . 1 1 15 CYS HA H 0.278 1.502 1.392 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 19 . 5200 . 1 1 15 CYS HB2 H 2.521 2.613 0.447 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 19 . 5201 . 1 1 15 CYS HB3 H 3.222 1.695 1.776 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 19 . 5202 . 1 1 15 CYS N N 0.806 3.386 2.048 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 19 . 5203 . 1 1 15 CYS O O 0.545 0.350 3.601 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 19 . 5204 . 1 1 15 CYS SG S 2.378 0.265 0.064 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 19 . 5205 . 1 1 16 NH2 HN1 H 3.116 1.618 3.920 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 19 . 5206 . 1 1 16 NH2 N N 2.122 1.762 4.117 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 . 20 . 5207 . 1 1 1 ACE C C 1.483 0.943 -2.266 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c30683_6uxs 1 . 20 . 5208 . 1 1 1 ACE CH3 C 2.060 -0.012 -1.240 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c30683_6uxs 1 . 20 . 5209 . 1 1 1 ACE H1 H 3.053 -0.256 -1.617 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c30683_6uxs 1 . 20 . 5210 . 1 1 1 ACE H2 H 1.229 -0.715 -1.185 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c30683_6uxs 1 . 20 . 5211 . 1 1 1 ACE O O 0.282 0.923 -2.536 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c30683_6uxs 1 . 20 . 5212 . 1 1 2 TRP C C 1.987 2.156 -5.241 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30683_6uxs 1 . 20 . 5213 . 1 1 2 TRP CA C 1.907 2.751 -3.839 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30683_6uxs 1 . 20 . 5214 . 1 1 2 TRP CB C 2.763 4.015 -3.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30683_6uxs 1 . 20 . 5215 . 1 1 2 TRP CD1 C 2.048 4.692 -1.392 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 20 . 5216 . 1 1 2 TRP CD2 C 4.254 4.815 -1.758 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5217 . 1 1 2 TRP CE2 C 3.995 5.210 -0.430 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5218 . 1 1 2 TRP CE3 C 5.575 4.811 -2.213 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5219 . 1 1 2 TRP CG C 2.994 4.487 -2.354 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30683_6uxs 1 . 20 . 5220 . 1 1 2 TRP CH2 C 6.293 5.586 -0.032 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 20 . 5221 . 1 1 2 TRP CZ2 C 5.008 5.599 0.441 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 20 . 5222 . 1 1 2 TRP CZ3 C 6.580 5.197 -1.347 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 20 . 5223 . 1 1 2 TRP H H 3.284 1.750 -2.581 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H . . . . . . . . . c30683_6uxs 1 . 20 . 5224 . 1 1 2 TRP HA H 0.880 3.008 -3.628 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30683_6uxs 1 . 20 . 5225 . 1 1 2 TRP HB2 H 3.725 3.821 -4.207 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5226 . 1 1 2 TRP HB3 H 2.271 4.810 -4.301 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5227 . 1 1 2 TRP HD1 H 0.989 4.533 -1.537 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 20 . 5228 . 1 1 2 TRP HE1 H 2.173 5.343 0.601 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 20 . 5229 . 1 1 2 TRP HE3 H 5.816 4.515 -3.224 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5230 . 1 1 2 TRP HH2 H 7.109 5.879 0.611 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 20 . 5231 . 1 1 2 TRP HZ2 H 4.804 5.900 1.459 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 20 . 5232 . 1 1 2 TRP HZ3 H 7.606 5.201 -1.682 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 20 . 5233 . 1 1 2 TRP N N 2.339 1.782 -2.838 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30683_6uxs 1 . 20 . 5234 . 1 1 2 TRP NE1 N 2.642 5.128 -0.233 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 20 . 5235 . 1 1 2 TRP O O 2.196 0.955 -5.406 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30683_6uxs 1 . 20 . 5236 . 1 1 3 LYS C C 3.247 2.843 -8.244 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c30683_6uxs 1 . 20 . 5237 . 1 1 3 LYS CA C 1.874 2.564 -7.638 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c30683_6uxs 1 . 20 . 5238 . 1 1 3 LYS CB C 0.791 3.267 -8.460 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c30683_6uxs 1 . 20 . 5239 . 1 1 3 LYS CD C -0.733 2.600 -10.342 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c30683_6uxs 1 . 20 . 5240 . 1 1 3 LYS CE C -0.848 1.561 -11.447 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c30683_6uxs 1 . 20 . 5241 . 1 1 3 LYS CG C 0.708 2.782 -9.898 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c30683_6uxs 1 . 20 . 5242 . 1 1 3 LYS H H 1.656 3.953 -6.055 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c30683_6uxs 1 . 20 . 5243 . 1 1 3 LYS HA H 1.694 1.501 -7.655 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c30683_6uxs 1 . 20 . 5244 . 1 1 3 LYS HB2 H -0.166 3.099 -7.990 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5245 . 1 1 3 LYS HB3 H 0.995 4.328 -8.472 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5246 . 1 1 3 LYS HD2 H -1.324 2.278 -9.498 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5247 . 1 1 3 LYS HD3 H -1.110 3.545 -10.708 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c30683_6uxs 1 . 20 . 5248 . 1 1 3 LYS HE2 H 0.123 1.425 -11.897 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5249 . 1 1 3 LYS HE3 H -1.178 0.629 -11.014 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5250 . 1 1 3 LYS HG2 H 1.184 3.508 -10.540 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5251 . 1 1 3 LYS HG3 H 1.223 1.835 -9.979 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5252 . 1 1 3 LYS HZ1 H -1.896 3.013 -12.524 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c30683_6uxs 1 . 20 . 5253 . 1 1 3 LYS HZ2 H -1.496 1.643 -13.432 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c30683_6uxs 1 . 20 . 5254 . 1 1 3 LYS HZ3 H -2.755 1.570 -12.302 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c30683_6uxs 1 . 20 . 5255 . 1 1 3 LYS N N 1.819 3.005 -6.249 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c30683_6uxs 1 . 20 . 5256 . 1 1 3 LYS NZ N -1.817 1.976 -12.500 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c30683_6uxs 1 . 20 . 5257 . 1 1 3 LYS O O 3.926 3.795 -7.859 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c30683_6uxs 1 . 20 . 5258 . 1 1 4 THR C C 4.791 2.127 -11.369 . . . 1.0 . . . . . . . . . . . . A . 3 THR C . . . . . . . . . c30683_6uxs 1 . 20 . 5259 . 1 1 4 THR CA C 4.940 2.161 -9.853 . . . 1.0 . . . . . . . . . . . . A . 3 THR CA . . . . . . . . . c30683_6uxs 1 . 20 . 5260 . 1 1 4 THR CB C 5.927 1.060 -9.421 . . . 1.0 . . . . . . . . . . . . A . 3 THR CB . . . . . . . . . c30683_6uxs 1 . 20 . 5261 . 1 1 4 THR CG2 C 7.335 1.378 -9.901 . . . 1.0 . . . . . . . . . . . . A . 3 THR CG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5262 . 1 1 4 THR H H 3.064 1.265 -9.457 . . . 1.0 . . . . . . . . . . . . A . 3 THR H . . . . . . . . . c30683_6uxs 1 . 20 . 5263 . 1 1 4 THR HA H 5.350 3.117 -9.562 . . . 1.0 . . . . . . . . . . . . A . 3 THR HA . . . . . . . . . c30683_6uxs 1 . 20 . 5264 . 1 1 4 THR HB H 5.615 0.124 -9.861 . . . 1.0 . . . . . . . . . . . . A . 3 THR HB . . . . . . . . . c30683_6uxs 1 . 20 . 5265 . 1 1 4 THR HG1 H 6.195 1.761 -7.597 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5266 . 1 1 4 THR HG21 H 7.615 2.366 -9.570 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG21 . . . . . . . . . c30683_6uxs 1 . 20 . 5267 . 1 1 4 THR HG22 H 8.026 0.653 -9.496 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG22 . . . . . . . . . c30683_6uxs 1 . 20 . 5268 . 1 1 4 THR HG23 H 7.365 1.338 -10.981 . . . 1.0 . . . . . . . . . . . . A . 3 THR HG23 . . . . . . . . . c30683_6uxs 1 . 20 . 5269 . 1 1 4 THR N N 3.649 2.005 -9.194 . . . 1.0 . . . . . . . . . . . . A . 3 THR N . . . . . . . . . c30683_6uxs 1 . 20 . 5270 . 1 1 4 THR O O 4.255 1.170 -11.928 . . . 1.0 . . . . . . . . . . . . A . 3 THR O . . . . . . . . . c30683_6uxs 1 . 20 . 5271 . 1 1 4 THR OG1 O 5.923 0.930 -7.995 . . . 1.0 . . . . . . . . . . . . A . 3 THR OG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5272 . 1 1 5 ILE C C 6.404 3.990 -14.056 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c30683_6uxs 1 . 20 . 5273 . 1 1 5 ILE CA C 5.191 3.265 -13.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c30683_6uxs 1 . 20 . 5274 . 1 1 5 ILE CB C 3.912 3.993 -13.933 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c30683_6uxs 1 . 20 . 5275 . 1 1 5 ILE CD1 C 1.386 4.061 -13.627 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c30683_6uxs 1 . 20 . 5276 . 1 1 5 ILE CG1 C 2.682 3.370 -13.268 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5277 . 1 1 5 ILE CG2 C 3.781 3.947 -15.449 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5278 . 1 1 5 ILE H H 5.687 3.908 -11.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c30683_6uxs 1 . 20 . 5279 . 1 1 5 ILE HA H 5.167 2.259 -13.877 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c30683_6uxs 1 . 20 . 5280 . 1 1 5 ILE HB H 3.988 5.027 -13.635 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c30683_6uxs 1 . 20 . 5281 . 1 1 5 ILE HD11 H 1.468 5.117 -13.410 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c30683_6uxs 1 . 20 . 5282 . 1 1 5 ILE HD12 H 1.184 3.926 -14.679 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c30683_6uxs 1 . 20 . 5283 . 1 1 5 ILE HD13 H 0.579 3.637 -13.049 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c30683_6uxs 1 . 20 . 5284 . 1 1 5 ILE HG12 H 2.601 2.338 -13.571 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c30683_6uxs 1 . 20 . 5285 . 1 1 5 ILE HG13 H 2.799 3.419 -12.196 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c30683_6uxs 1 . 20 . 5286 . 1 1 5 ILE HG21 H 2.887 3.403 -15.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c30683_6uxs 1 . 20 . 5287 . 1 1 5 ILE HG22 H 3.720 4.953 -15.836 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c30683_6uxs 1 . 20 . 5288 . 1 1 5 ILE HG23 H 4.644 3.451 -15.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c30683_6uxs 1 . 20 . 5289 . 1 1 5 ILE N N 5.270 3.177 -12.030 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c30683_6uxs 1 . 20 . 5290 . 1 1 5 ILE O O 6.721 5.107 -13.650 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c30683_6uxs 1 . 20 . 5291 . 1 1 6 . C C 9.368 4.156 -14.622 . . . 1.0 . . . . . . . . . . . . A . 5 ALY C . . . . . . . . . c30683_6uxs 1 . 20 . 5292 . 1 1 6 . CA C 8.255 3.927 -15.636 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CA . . . . . . . . . c30683_6uxs 1 . 20 . 5293 . 1 1 6 . CB C 7.896 5.243 -16.329 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CB . . . . . . . . . c30683_6uxs 1 . 20 . 5294 . 1 1 6 . CD C 6.109 6.489 -17.583 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CD . . . . . . . . . c30683_6uxs 1 . 20 . 5295 . 1 1 6 . CE C 5.297 6.948 -16.381 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CE . . . . . . . . . c30683_6uxs 1 . 20 . 5296 . 1 1 6 . CG C 6.755 5.134 -17.331 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CG . . . . . . . . . c30683_6uxs 1 . 20 . 5297 . 1 1 6 . CH C 5.051 8.919 -14.882 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH . . . . . . . . . c30683_6uxs 1 . 20 . 5298 . 1 1 6 . CH3 C 3.565 9.066 -15.097 . . . 1.0 . . . . . . . . . . . . A . 5 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 20 . 5299 . 1 1 6 . H H 6.765 2.429 -15.293 . . . 1.0 . . . . . . . . . . . . A . 5 ALY H . . . . . . . . . c30683_6uxs 1 . 20 . 5300 . 1 1 6 . HB2 H 7.616 5.984 -15.581 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5301 . 1 1 6 . HB3 H 8.771 5.625 -16.858 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5302 . 1 1 6 . HCA H 8.626 3.227 -16.387 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HCA . . . . . . . . . c30683_6uxs 1 . 20 . 5303 . 1 1 6 . HD2 H 6.885 7.228 -17.791 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5304 . 1 1 6 . HD3 H 5.454 6.424 -18.451 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 20 . 5305 . 1 1 6 . HE2 H 4.246 7.016 -16.658 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5306 . 1 1 6 . HE3 H 5.392 6.217 -15.577 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5307 . 1 1 6 . HG2 H 7.135 4.741 -18.275 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5308 . 1 1 6 . HG3 H 6.000 4.447 -16.949 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5309 . 1 1 6 . HH31 H 3.032 8.362 -14.458 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 20 . 5310 . 1 1 6 . HH32 H 3.261 10.084 -14.848 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 20 . 5311 . 1 1 6 . HH33 H 3.326 8.861 -16.140 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 20 . 5312 . 1 1 6 . HZ H 6.680 8.191 -15.498 . . . 1.0 . . . . . . . . . . . . A . 5 ALY HZ . . . . . . . . . c30683_6uxs 1 . 20 . 5313 . 1 1 6 . N N 7.078 3.345 -15.003 . . . 1.0 . . . . . . . . . . . . A . 5 ALY N . . . . . . . . . c30683_6uxs 1 . 20 . 5314 . 1 1 6 . NZ N 5.748 8.274 -15.877 . . . 1.0 . . . . . . . . . . . . A . 5 ALY NZ . . . . . . . . . c30683_6uxs 1 . 20 . 5315 . 1 1 6 . O O 10.114 5.130 -14.713 . . . 1.0 . . . . . . . . . . . . A . 5 ALY O . . . . . . . . . c30683_6uxs 1 . 20 . 5316 . 1 1 6 . OH O 5.676 9.352 -13.856 . . . 1.0 . . . . . . . . . . . . A . 5 ALY OH . . . . . . . . . c30683_6uxs 1 . 20 . 5317 . 1 1 7 GLY C C 10.500 4.732 -11.968 . . . 1.0 . . . . . . . . . . . . A . 6 GLY C . . . . . . . . . c30683_6uxs 1 . 20 . 5318 . 1 1 7 GLY CA C 10.502 3.371 -12.636 . . . 1.0 . . . . . . . . . . . . A . 6 GLY CA . . . . . . . . . c30683_6uxs 1 . 20 . 5319 . 1 1 7 GLY H H 8.853 2.493 -13.632 . . . 1.0 . . . . . . . . . . . . A . 6 GLY H . . . . . . . . . c30683_6uxs 1 . 20 . 5320 . 1 1 7 GLY HA2 H 10.340 2.613 -11.884 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA2 . . . . . . . . . c30683_6uxs 1 . 20 . 5321 . 1 1 7 GLY HA3 H 11.468 3.209 -13.092 . . . 1.0 . . . . . . . . . . . . A . 6 GLY HA3 . . . . . . . . . c30683_6uxs 1 . 20 . 5322 . 1 1 7 GLY N N 9.476 3.250 -13.654 . . . 1.0 . . . . . . . . . . . . A . 6 GLY N . . . . . . . . . c30683_6uxs 1 . 20 . 5323 . 1 1 7 GLY O O 11.527 5.409 -11.919 . . . 1.0 . . . . . . . . . . . . A . 6 GLY O . . . . . . . . . c30683_6uxs 1 . 20 . 5324 . 1 1 8 . C C 8.212 6.350 -9.638 . . . 1.0 . . . . . . . . . . . . A . 7 ALY C . . . . . . . . . c30683_6uxs 1 . 20 . 5325 . 1 1 8 . CA C 9.206 6.426 -10.790 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CA . . . . . . . . . c30683_6uxs 1 . 20 . 5326 . 1 1 8 . CB C 8.774 7.501 -11.788 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CB . . . . . . . . . c30683_6uxs 1 . 20 . 5327 . 1 1 8 . CD C 10.662 8.499 -13.114 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CD . . . . . . . . . c30683_6uxs 1 . 20 . 5328 . 1 1 8 . CE C 10.267 9.434 -14.249 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CE . . . . . . . . . c30683_6uxs 1 . 20 . 5329 . 1 1 8 . CG C 9.744 8.669 -11.912 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CG . . . . . . . . . c30683_6uxs 1 . 20 . 5330 . 1 1 8 . CH C 10.822 8.501 -16.488 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH . . . . . . . . . c30683_6uxs 1 . 20 . 5331 . 1 1 8 . CH3 C 11.932 7.679 -17.097 . . . 1.0 . . . . . . . . . . . . A . 7 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 20 . 5332 . 1 1 8 . H H 8.534 4.533 -11.528 . . . 1.0 . . . . . . . . . . . . A . 7 ALY H . . . . . . . . . c30683_6uxs 1 . 20 . 5333 . 1 1 8 . HB2 H 8.658 7.056 -12.776 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5334 . 1 1 8 . HB3 H 7.804 7.902 -11.494 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5335 . 1 1 8 . HCA H 10.177 6.705 -10.376 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HCA . . . . . . . . . c30683_6uxs 1 . 20 . 5336 . 1 1 8 . HD2 H 11.690 8.713 -12.820 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5337 . 1 1 8 . HD3 H 10.611 7.470 -13.469 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 20 . 5338 . 1 1 8 . HE2 H 9.248 9.212 -14.564 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5339 . 1 1 8 . HE3 H 10.299 10.466 -13.899 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5340 . 1 1 8 . HG2 H 9.183 9.598 -12.022 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5341 . 1 1 8 . HG3 H 10.351 8.735 -11.010 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5342 . 1 1 8 . HH31 H 11.508 6.951 -17.790 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 20 . 5343 . 1 1 8 . HH32 H 12.618 8.334 -17.634 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 20 . 5344 . 1 1 8 . HH33 H 12.471 7.156 -16.309 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 20 . 5345 . 1 1 8 . HZ H 11.320 10.204 -15.841 . . . 1.0 . . . . . . . . . . . . A . 7 ALY HZ . . . . . . . . . c30683_6uxs 1 . 20 . 5346 . 1 1 8 . N N 9.342 5.136 -11.455 . . . 1.0 . . . . . . . . . . . . A . 7 ALY N . . . . . . . . . c30683_6uxs 1 . 20 . 5347 . 1 1 8 . NZ N 11.172 9.297 -15.422 . . . 1.0 . . . . . . . . . . . . A . 7 ALY NZ . . . . . . . . . c30683_6uxs 1 . 20 . 5348 . 1 1 8 . O O 7.216 5.629 -9.710 . . . 1.0 . . . . . . . . . . . . A . 7 ALY O . . . . . . . . . c30683_6uxs 1 . 20 . 5349 . 1 1 8 . OH O 9.614 8.499 -16.902 . . . 1.0 . . . . . . . . . . . . A . 7 ALY OH . . . . . . . . . c30683_6uxs 1 . 20 . 5350 . 1 1 9 THR C C 6.812 8.407 -7.339 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . c30683_6uxs 1 . 20 . 5351 . 1 1 9 THR CA C 7.618 7.115 -7.406 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . c30683_6uxs 1 . 20 . 5352 . 1 1 9 THR CB C 8.425 6.958 -6.103 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . c30683_6uxs 1 . 20 . 5353 . 1 1 9 THR CG2 C 7.826 5.871 -5.223 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5354 . 1 1 9 THR H H 9.297 7.651 -8.578 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . c30683_6uxs 1 . 20 . 5355 . 1 1 9 THR HA H 6.937 6.281 -7.486 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . c30683_6uxs 1 . 20 . 5356 . 1 1 9 THR HB H 8.395 7.894 -5.564 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . c30683_6uxs 1 . 20 . 5357 . 1 1 9 THR HG1 H 10.317 7.439 -6.388 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5358 . 1 1 9 THR HG21 H 6.751 5.878 -5.324 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . c30683_6uxs 1 . 20 . 5359 . 1 1 9 THR HG22 H 8.211 4.909 -5.528 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . c30683_6uxs 1 . 20 . 5360 . 1 1 9 THR HG23 H 8.093 6.055 -4.193 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . c30683_6uxs 1 . 20 . 5361 . 1 1 9 THR N N 8.488 7.098 -8.575 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . c30683_6uxs 1 . 20 . 5362 . 1 1 9 THR O O 6.888 9.244 -8.239 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . c30683_6uxs 1 . 20 . 5363 . 1 1 9 THR OG1 O 9.788 6.637 -6.406 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5364 . 1 1 10 TRP C C 4.461 9.695 -4.765 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . c30683_6uxs 1 . 20 . 5365 . 1 1 10 TRP CA C 5.224 9.757 -6.084 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . c30683_6uxs 1 . 20 . 5366 . 1 1 10 TRP CB C 4.245 9.913 -7.248 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . c30683_6uxs 1 . 20 . 5367 . 1 1 10 TRP CD1 C 2.619 7.950 -6.977 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . c30683_6uxs 1 . 20 . 5368 . 1 1 10 TRP CD2 C 3.878 7.854 -8.827 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5369 . 1 1 10 TRP CE2 C 3.034 6.726 -8.798 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5370 . 1 1 10 TRP CE3 C 4.758 8.009 -9.900 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5371 . 1 1 10 TRP CG C 3.595 8.624 -7.653 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . c30683_6uxs 1 . 20 . 5372 . 1 1 10 TRP CH2 C 3.922 5.937 -10.841 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . c30683_6uxs 1 . 20 . 5373 . 1 1 10 TRP CZ2 C 3.049 5.761 -9.802 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . c30683_6uxs 1 . 20 . 5374 . 1 1 10 TRP CZ3 C 4.773 7.050 -10.895 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . c30683_6uxs 1 . 20 . 5375 . 1 1 10 TRP H H 6.027 7.862 -5.584 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . c30683_6uxs 1 . 20 . 5376 . 1 1 10 TRP HA H 5.884 10.612 -6.063 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . c30683_6uxs 1 . 20 . 5377 . 1 1 10 TRP HB2 H 3.465 10.604 -6.965 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5378 . 1 1 10 TRP HB3 H 4.775 10.304 -8.104 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5379 . 1 1 10 TRP HD1 H 2.190 8.277 -6.042 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . c30683_6uxs 1 . 20 . 5380 . 1 1 10 TRP HE1 H 1.600 6.158 -7.377 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . c30683_6uxs 1 . 20 . 5381 . 1 1 10 TRP HE3 H 5.422 8.860 -9.960 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5382 . 1 1 10 TRP HH2 H 3.968 5.213 -11.639 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . c30683_6uxs 1 . 20 . 5383 . 1 1 10 TRP HZ2 H 2.400 4.898 -9.774 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . c30683_6uxs 1 . 20 . 5384 . 1 1 10 TRP HZ3 H 5.448 7.152 -11.732 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . c30683_6uxs 1 . 20 . 5385 . 1 1 10 TRP N N 6.044 8.565 -6.267 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . c30683_6uxs 1 . 20 . 5386 . 1 1 10 TRP NE1 N 2.278 6.807 -7.660 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . c30683_6uxs 1 . 20 . 5387 . 1 1 10 TRP O O 4.237 10.717 -4.117 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . c30683_6uxs 1 . 20 . 5388 . 1 1 11 ARG C C 1.968 8.993 -3.192 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30683_6uxs 1 . 20 . 5389 . 1 1 11 ARG CA C 3.323 8.294 -3.132 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30683_6uxs 1 . 20 . 5390 . 1 1 11 ARG CB C 4.130 8.821 -1.945 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30683_6uxs 1 . 20 . 5391 . 1 1 11 ARG CD C 2.815 9.517 0.081 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30683_6uxs 1 . 20 . 5392 . 1 1 11 ARG CG C 3.580 8.390 -0.595 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30683_6uxs 1 . 20 . 5393 . 1 1 11 ARG CZ C 2.893 10.733 2.216 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30683_6uxs 1 . 20 . 5394 . 1 1 11 ARG H H 4.271 7.711 -4.932 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30683_6uxs 1 . 20 . 5395 . 1 1 11 ARG HA H 3.162 7.233 -3.004 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30683_6uxs 1 . 20 . 5396 . 1 1 11 ARG HB2 H 5.145 8.463 -2.026 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5397 . 1 1 11 ARG HB3 H 4.134 9.900 -1.978 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5398 . 1 1 11 ARG HD2 H 2.730 10.342 -0.611 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5399 . 1 1 11 ARG HD3 H 1.829 9.159 0.339 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30683_6uxs 1 . 20 . 5400 . 1 1 11 ARG HE H 4.418 9.721 1.425 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30683_6uxs 1 . 20 . 5401 . 1 1 11 ARG HG2 H 2.913 7.553 -0.739 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5402 . 1 1 11 ARG HG3 H 4.402 8.092 0.040 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5403 . 1 1 11 ARG HH11 H 1.117 10.814 1.257 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30683_6uxs 1 . 20 . 5404 . 1 1 11 ARG HH12 H 1.186 11.667 2.762 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30683_6uxs 1 . 20 . 5405 . 1 1 11 ARG HH21 H 4.522 10.841 3.410 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30683_6uxs 1 . 20 . 5406 . 1 1 11 ARG HH22 H 3.122 11.682 3.986 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30683_6uxs 1 . 20 . 5407 . 1 1 11 ARG N N 4.063 8.488 -4.373 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30683_6uxs 1 . 20 . 5408 . 1 1 11 ARG NE N 3.484 9.982 1.293 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30683_6uxs 1 . 20 . 5409 . 1 1 11 ARG NH1 N 1.628 11.102 2.066 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30683_6uxs 1 . 20 . 5410 . 1 1 11 ARG NH2 N 3.568 11.117 3.292 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30683_6uxs 1 . 20 . 5411 . 1 1 11 ARG O O 1.886 10.220 -3.126 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30683_6uxs 1 . 20 . 5412 . 1 1 12 THR C C -1.242 8.401 -2.134 . . . 1.0 . . . . . . . . . . . . A . 11 THR C . . . . . . . . . c30683_6uxs 1 . 20 . 5413 . 1 1 12 THR CA C -0.445 8.746 -3.387 . . . 1.0 . . . . . . . . . . . . A . 11 THR CA . . . . . . . . . c30683_6uxs 1 . 20 . 5414 . 1 1 12 THR CB C -1.199 8.219 -4.622 . . . 1.0 . . . . . . . . . . . . A . 11 THR CB . . . . . . . . . c30683_6uxs 1 . 20 . 5415 . 1 1 12 THR CG2 C -1.062 6.709 -4.737 . . . 1.0 . . . . . . . . . . . . A . 11 THR CG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5416 . 1 1 12 THR H H 1.035 7.234 -3.364 . . . 1.0 . . . . . . . . . . . . A . 11 THR H . . . . . . . . . c30683_6uxs 1 . 20 . 5417 . 1 1 12 THR HA H -0.369 9.822 -3.469 . . . 1.0 . . . . . . . . . . . . A . 11 THR HA . . . . . . . . . c30683_6uxs 1 . 20 . 5418 . 1 1 12 THR HB H -0.773 8.673 -5.506 . . . 1.0 . . . . . . . . . . . . A . 11 THR HB . . . . . . . . . c30683_6uxs 1 . 20 . 5419 . 1 1 12 THR HG1 H -2.794 9.211 -5.225 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5420 . 1 1 12 THR HG21 H -0.015 6.447 -4.804 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG21 . . . . . . . . . c30683_6uxs 1 . 20 . 5421 . 1 1 12 THR HG22 H -1.494 6.241 -3.864 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG22 . . . . . . . . . c30683_6uxs 1 . 20 . 5422 . 1 1 12 THR HG23 H -1.576 6.367 -5.622 . . . 1.0 . . . . . . . . . . . . A . 11 THR HG23 . . . . . . . . . c30683_6uxs 1 . 20 . 5423 . 1 1 12 THR N N 0.905 8.204 -3.317 . . . 1.0 . . . . . . . . . . . . A . 11 THR N . . . . . . . . . c30683_6uxs 1 . 20 . 5424 . 1 1 12 THR O O -2.000 9.226 -1.622 . . . 1.0 . . . . . . . . . . . . A . 11 THR O . . . . . . . . . c30683_6uxs 1 . 20 . 5425 . 1 1 12 THR OG1 O -2.584 8.572 -4.539 . . . 1.0 . . . . . . . . . . . . A . 11 THR OG1 . . . . . . . . . c30683_6uxs 1 . 20 . 5426 . 1 1 13 . C C -0.787 6.310 0.641 . . . 1.0 . . . . . . . . . . . . A . 12 ALY C . . . . . . . . . c30683_6uxs 1 . 20 . 5427 . 1 1 13 . CA C -1.767 6.722 -0.450 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CA . . . . . . . . . c30683_6uxs 1 . 20 . 5428 . 1 1 13 . CB C -2.698 5.557 -0.789 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CB . . . . . . . . . c30683_6uxs 1 . 20 . 5429 . 1 1 13 . CD C -5.147 5.207 -1.237 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CD . . . . . . . . . c30683_6uxs 1 . 20 . 5430 . 1 1 13 . CE C -6.532 5.746 -0.914 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CE . . . . . . . . . c30683_6uxs 1 . 20 . 5431 . 1 1 13 . CG C -4.111 5.703 -0.239 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CG . . . . . . . . . c30683_6uxs 1 . 20 . 5432 . 1 1 13 . CH C -6.666 7.379 -2.788 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH . . . . . . . . . c30683_6uxs 1 . 20 . 5433 . 1 1 13 . CH3 C -7.201 7.637 -4.175 . . . 1.0 . . . . . . . . . . . . A . 12 ALY CH3 . . . . . . . . . c30683_6uxs 1 . 20 . 5434 . 1 1 13 . H H -0.429 6.548 -2.111 . . . 1.0 . . . . . . . . . . . . A . 12 ALY H . . . . . . . . . c30683_6uxs 1 . 20 . 5435 . 1 1 13 . HB2 H -2.770 5.450 -1.870 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5436 . 1 1 13 . HB3 H -2.279 4.630 -0.394 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5437 . 1 1 13 . HCA H -2.367 7.548 -0.065 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HCA . . . . . . . . . c30683_6uxs 1 . 20 . 5438 . 1 1 13 . HD2 H -4.866 5.526 -2.242 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD2 . . . . . . . . . c30683_6uxs 1 . 20 . 5439 . 1 1 13 . HD3 H -5.178 4.117 -1.218 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HD3 . . . . . . . . . c30683_6uxs 1 . 20 . 5440 . 1 1 13 . HE2 H -7.148 4.947 -0.508 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5441 . 1 1 13 . HE3 H -6.449 6.531 -0.162 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HE3 . . . . . . . . . c30683_6uxs 1 . 20 . 5442 . 1 1 13 . HG2 H -4.205 5.128 0.684 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5443 . 1 1 13 . HG3 H -4.309 6.751 -0.015 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5444 . 1 1 13 . HH31 H -8.197 8.072 -4.106 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH31 . . . . . . . . . c30683_6uxs 1 . 20 . 5445 . 1 1 13 . HH32 H -6.538 8.329 -4.697 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH32 . . . . . . . . . c30683_6uxs 1 . 20 . 5446 . 1 1 13 . HH33 H -7.253 6.698 -4.725 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HH33 . . . . . . . . . c30683_6uxs 1 . 20 . 5447 . 1 1 13 . HZ H -7.274 5.593 -2.829 . . . 1.0 . . . . . . . . . . . . A . 12 ALY HZ . . . . . . . . . c30683_6uxs 1 . 20 . 5448 . 1 1 13 . N N -1.065 7.178 -1.644 . . . 1.0 . . . . . . . . . . . . A . 12 ALY N . . . . . . . . . c30683_6uxs 1 . 20 . 5449 . 1 1 13 . NZ N -7.205 6.307 -2.117 . . . 1.0 . . . . . . . . . . . . A . 12 ALY NZ . . . . . . . . . c30683_6uxs 1 . 20 . 5450 . 1 1 13 . O O 0.416 6.547 0.529 . . . 1.0 . . . . . . . . . . . . A . 12 ALY O . . . . . . . . . c30683_6uxs 1 . 20 . 5451 . 1 1 13 . OH O -5.765 8.086 -2.222 . . . 1.0 . . . . . . . . . . . . A . 12 ALY OH . . . . . . . . . c30683_6uxs 1 . 20 . 5452 . 1 1 14 GLN C C -0.285 3.733 2.770 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . c30683_6uxs 1 . 20 . 5453 . 1 1 14 GLN CA C -0.478 5.246 2.807 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . c30683_6uxs 1 . 20 . 5454 . 1 1 14 GLN CB C -1.107 5.660 4.138 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . c30683_6uxs 1 . 20 . 5455 . 1 1 14 GLN CD C -0.734 6.329 6.546 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . c30683_6uxs 1 . 20 . 5456 . 1 1 14 GLN CG C -0.093 5.872 5.250 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . c30683_6uxs 1 . 20 . 5457 . 1 1 14 GLN H H -2.274 5.531 1.724 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . c30683_6uxs 1 . 20 . 5458 . 1 1 14 GLN HA H 0.486 5.722 2.711 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . c30683_6uxs 1 . 20 . 5459 . 1 1 14 GLN HB2 H -1.650 6.582 3.994 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5460 . 1 1 14 GLN HB3 H -1.798 4.891 4.451 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5461 . 1 1 14 GLN HE21 H 0.055 8.140 6.326 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . c30683_6uxs 1 . 20 . 5462 . 1 1 14 GLN HE22 H -0.909 7.908 7.740 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . c30683_6uxs 1 . 20 . 5463 . 1 1 14 GLN HG2 H 0.423 4.940 5.432 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . c30683_6uxs 1 . 20 . 5464 . 1 1 14 GLN HG3 H 0.618 6.620 4.934 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . c30683_6uxs 1 . 20 . 5465 . 1 1 14 GLN N N -1.309 5.691 1.694 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . c30683_6uxs 1 . 20 . 5466 . 1 1 14 GLN NE2 N -0.506 7.586 6.908 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . c30683_6uxs 1 . 20 . 5467 . 1 1 14 GLN O O -1.020 2.987 3.421 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . c30683_6uxs 1 . 20 . 5468 . 1 1 14 GLN OE1 O -1.428 5.561 7.214 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . c30683_6uxs 1 . 20 . 5469 . 1 1 15 CYS C C 1.145 1.218 3.261 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30683_6uxs 1 . 20 . 5470 . 1 1 15 CYS CA C 0.995 1.862 1.885 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30683_6uxs 1 . 20 . 5471 . 1 1 15 CYS CB C 2.271 1.648 1.068 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30683_6uxs 1 . 20 . 5472 . 1 1 15 CYS H H 1.256 3.930 1.513 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30683_6uxs 1 . 20 . 5473 . 1 1 15 CYS HA H 0.167 1.398 1.371 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30683_6uxs 1 . 20 . 5474 . 1 1 15 CYS HB2 H 2.437 2.512 0.441 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30683_6uxs 1 . 20 . 5475 . 1 1 15 CYS HB3 H 3.106 1.534 1.743 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30683_6uxs 1 . 20 . 5476 . 1 1 15 CYS N N 0.706 3.286 2.007 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30683_6uxs 1 . 20 . 5477 . 1 1 15 CYS O O 1.794 1.770 4.148 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30683_6uxs 1 . 20 . 5478 . 1 1 15 CYS SG S 2.225 0.182 -0.011 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30683_6uxs 1 . 20 . 5479 . 1 1 16 NH2 HN1 H -0.436 0.012 3.440 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c30683_6uxs 1 . 20 . 5480 . 1 1 16 NH2 N N 0.583 0.081 3.496 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c30683_6uxs 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Entry_ID c30683_6uxs _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 6uxs.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30683_6uxs 1 1 6uxs.mr . . DYANA/DIANA 2 distance NOE simple 271 c30683_6uxs 1 1 6uxs.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30683_6uxs 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c30683_6uxs _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Potential_type upper-bound-parabolic _Gen_dist_constraint_list.Block_ID 2 _Gen_dist_constraint_list.Details 'Generated by Wattos' loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30683_6uxs 1 stop_ loop_ _Gen_dist_constraint.Index_ID _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Weight _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 1 . . 1 1 9 9 THR HA H . . . 1 1 9 9 THR HG21 H . . . . . . . 3.70 . 1.0 . . . . A 8 THR HA . . A 8 THR MG . . . 8 THR HA . . . . . 8 THR QG2 . . c30683_6uxs 1 2 2 1 . . 1 1 9 9 THR HG21 H . . . 1 1 9 9 THR H H . . . . . . . 4.52 . 1.0 . . . . A 8 THR MG . . A 8 THR H . . . 8 THR QG2 . . . . . 8 THR H . . c30683_6uxs 1 3 3 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HG1 H . . . . . . . 4.83 . 1.0 . . . . A 8 THR H . . A 8 THR HG1 . . . 8 THR H . . . . . 8 THR HG1 . . c30683_6uxs 1 4 4 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HB H . . . . . . . 3.65 . 1.0 . . . . A 8 THR H . . A 8 THR HB . . . 8 THR H . . . . . 8 THR HB . . c30683_6uxs 1 5 5 1 . . 1 1 10 10 TRP HB3 H . . . 1 1 10 10 TRP HE3 H . . . . . . . 3.22 . 1.0 . . . . A 9 TRP HB3 . . A 9 TRP HE3 . . . 9 TRP HB3 . . . . . 9 TRP HE3 . . c30683_6uxs 1 6 6 1 . . 1 1 10 10 TRP HE3 H . . . 1 1 10 10 TRP HB2 H . . . . . . . 4.14 . 1.0 . . . . A 9 TRP HE3 . . A 9 TRP HB2 . . . 9 TRP HE3 . . . . . 9 TRP HB2 . . c30683_6uxs 1 7 7 1 . . 1 1 10 10 TRP HB2 H . . . 1 1 10 10 TRP HD1 H . . . . . . . 3.10 . 1.0 . . . . A 9 TRP HB2 . . A 9 TRP HD1 . . . 9 TRP HB2 . . . . . 9 TRP HD1 . . c30683_6uxs 1 8 8 1 . . 1 1 10 10 TRP HB3 H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 5.50 . 1.0 . . . . A 9 TRP HB3 . . A 1 TRP HZ3 . . . 9 TRP HB3 . . . . . 1 TRP HZ3 . . c30683_6uxs 1 9 9 1 . . 1 1 10 10 TRP HB3 H . . . 1 1 10 10 TRP HZ3 H . . . . . . . 5.50 . 1.0 . . . . A 9 TRP HB3 . . A 9 TRP HZ3 . . . 9 TRP HB3 . . . . . 9 TRP HZ3 . . c30683_6uxs 1 10 10 1 . . 1 1 10 10 TRP HB2 H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 5.50 . 1.0 . . . . A 9 TRP HB2 . . A 1 TRP HZ3 . . . 9 TRP HB2 . . . . . 1 TRP HZ3 . . c30683_6uxs 1 11 11 1 . . 1 1 9 9 THR HB H . . . 1 1 10 10 TRP H H . . . . . . . 5.50 . 1.0 . . . . A 8 THR HB . . A 9 TRP H . . . 8 THR HB . . . . . 9 TRP H . . c30683_6uxs 1 12 12 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB2 H . . . . . . . 3.35 . 1.0 . . . . A 10 ARG H . . A 10 ARG HB2 . . . 10 ARG H . . . . . 10 ARG QB . . c30683_6uxs 1 13 12 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HB3 H . . . . . . . 3.35 . 1.0 . . . . A 10 ARG H . . A 10 ARG HB3 . . . 10 ARG H . . . . . 10 ARG QB . . c30683_6uxs 1 14 13 1 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD2 H . . . . . . . 4.69 . 1.0 . . . . A 10 ARG H . . A 10 ARG HD2 . . . 10 ARG H . . . . . 10 ARG QD . . c30683_6uxs 1 15 13 2 OR . 1 1 11 11 ARG H H . . . 1 1 11 11 ARG HD3 H . . . . . . . 4.69 . 1.0 . . . . A 10 ARG H . . A 10 ARG HD3 . . . 10 ARG H . . . . . 10 ARG QD . . c30683_6uxs 1 16 14 1 . . 1 1 10 10 TRP HB3 H . . . 1 1 11 11 ARG H H . . . . . . . 4.14 . 1.0 . . . . A 9 TRP HB3 . . A 10 ARG H . . . 9 TRP HB3 . . . . . 10 ARG H . . c30683_6uxs 1 17 15 1 . . 1 1 10 10 TRP HB2 H . . . 1 1 11 11 ARG H H . . . . . . . 3.47 . 1.0 . . . . A 9 TRP HB2 . . A 10 ARG H . . . 9 TRP HB2 . . . . . 10 ARG H . . c30683_6uxs 1 18 16 1 . . 1 1 12 12 THR HA H . . . 1 1 12 12 THR HG21 H . . . . . . . 2.66 . 1.0 . . . . A 11 THR HA . . A 11 THR MG . . . 11 THR HA . . . . . 11 THR QG2 . . c30683_6uxs 1 19 17 1 . . 1 1 12 12 THR H H . . . 1 1 12 12 THR HG1 H . . . . . . . 3.05 . 1.0 . . . . A 11 THR H . . A 11 THR HG1 . . . 11 THR H . . . . . 11 THR HG1 . . c30683_6uxs 1 20 18 1 . . 1 1 12 12 THR H H . . . 1 1 11 11 ARG HA H . . . . . . . 3.00 . 1.0 . . . . A 11 THR H . . A 10 ARG HA . . . 11 THR H . . . . . 10 ARG HA . . c30683_6uxs 1 21 19 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HG2 H . . . . . . . 4.87 . 1.0 . . . . A 13 GLN H . . A 13 GLN HG2 . . . 13 GLN H . . . . . 13 GLN HG2 . . c30683_6uxs 1 22 20 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HG3 H . . . . . . . 4.87 . 1.0 . . . . A 13 GLN H . . A 13 GLN HG3 . . . 13 GLN H . . . . . 13 GLN HG3 . . c30683_6uxs 1 23 21 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB3 H . . . . . . . 3.95 . 1.0 . . . . A 13 GLN H . . A 13 GLN HB3 . . . 13 GLN H . . . . . 13 GLN HB3 . . c30683_6uxs 1 24 22 1 . . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB2 H . . . . . . . 3.95 . 1.0 . . . . A 13 GLN H . . A 13 GLN HB2 . . . 13 GLN H . . . . . 13 GLN HB2 . . c30683_6uxs 1 25 23 1 . . 1 1 14 14 GLN HA H . . . 1 1 14 14 GLN HG2 H . . . . . . . 4.08 . 1.0 . . . . A 13 GLN HA . . A 13 GLN HG2 . . . 13 GLN HA . . . . . 13 GLN HG2 . . c30683_6uxs 1 26 24 1 . . 1 1 14 14 GLN HA H . . . 1 1 14 14 GLN HG3 H . . . . . . . 4.08 . 1.0 . . . . A 13 GLN HA . . A 13 GLN HG3 . . . 13 GLN HA . . . . . 13 GLN HG3 . . c30683_6uxs 1 27 25 1 . . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE HD11 H . . . . . . . 3.42 . 1.0 . . . . A 4 ILE HB . . A 4 ILE MD . . . 4 ILE HB . . . . . 4 ILE QD1 . . c30683_6uxs 1 28 26 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.35 . 1.0 . . . . A 4 ILE MG . . A 4 ILE HG12 . . . 4 ILE QG2 . . . . . 4 ILE HG12 . . c30683_6uxs 1 29 27 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . . . 4.01 . 1.0 . . . . A 4 ILE HA . . A 4 ILE HG12 . . . 4 ILE HA . . . . . 4 ILE HG12 . . c30683_6uxs 1 30 28 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 5 5 ILE HA H . . . . . . . 3.19 . 1.0 . . . . A 4 ILE MG . . A 4 ILE HA . . . 4 ILE QG2 . . . . . 4 ILE HA . . c30683_6uxs 1 31 29 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 5 5 ILE HA H . . . . . . . 3.60 . 1.0 . . . . A 4 ILE MD . . A 4 ILE HA . . . 4 ILE QD1 . . . . . 4 ILE HA . . c30683_6uxs 1 32 30 1 . . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE H H . . . . . . . 3.76 . 1.0 . . . . A 4 ILE HB . . A 4 ILE H . . . 4 ILE HB . . . . . 4 ILE H . . c30683_6uxs 1 33 31 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 4.30 . 1.0 . . . . A 4 ILE H . . A 4 ILE HG12 . . . 4 ILE H . . . . . 4 ILE HG12 . . c30683_6uxs 1 34 32 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.30 . 1.0 . . . . A 4 ILE H . . A 4 ILE HG13 . . . 4 ILE H . . . . . 4 ILE HG13 . . c30683_6uxs 1 35 33 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 5 5 ILE H H . . . . . . . 3.99 . 1.0 . . . . A 4 ILE MG . . A 4 ILE H . . . 4 ILE QG2 . . . . . 4 ILE H . . c30683_6uxs 1 36 34 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 5 5 ILE H H . . . . . . . 4.97 . 1.0 . . . . A 4 ILE MD . . A 4 ILE H . . . 4 ILE QD1 . . . . . 4 ILE H . . c30683_6uxs 1 37 35 1 OR . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HD2 H . . . . . . . 4.10 . 1.0 . . . . A 10 ARG HA . . A 10 ARG HD2 . . . 10 ARG HA . . . . . 10 ARG QD . . c30683_6uxs 1 38 35 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HA H . . . . . . . 4.10 . 1.0 . . . . A 10 ARG HD3 . . A 10 ARG HA . . . 10 ARG QD . . . . . 10 ARG HA . . c30683_6uxs 1 39 36 1 . . 1 1 4 4 THR H H . . . 1 1 4 4 THR HB H . . . . . . . 3.33 . 1.0 . . . . A 3 THR H . . A 3 THR HB . . . 3 THR H . . . . . 3 THR HB . . c30683_6uxs 1 40 37 1 . . 1 1 4 4 THR HA H . . . 1 1 4 4 THR HG21 H . . . . . . . 3.40 . 1.0 . . . . A 3 THR HA . . A 3 THR MG . . . 3 THR HA . . . . . 3 THR QG2 . . c30683_6uxs 1 41 38 1 . . 1 1 9 9 THR HG21 H . . . 1 1 4 4 THR HA H . . . . . . . 5.05 . 1.0 . . . . A 8 THR MG . . A 3 THR HA . . . 8 THR QG2 . . . . . 3 THR HA . . c30683_6uxs 1 42 39 1 . . 1 1 9 9 THR HA H . . . 1 1 4 4 THR HG21 H . . . . . . . 4.43 . 1.0 . . . . A 8 THR HA . . A 3 THR MG . . . 8 THR HA . . . . . 3 THR QG2 . . c30683_6uxs 1 43 40 1 . . 1 1 4 4 THR H H . . . 1 1 4 4 THR HG1 H . . . . . . . 3.59 . 1.0 . . . . A 3 THR H . . A 3 THR HG1 . . . 3 THR H . . . . . 3 THR HG1 . . c30683_6uxs 1 44 41 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD2 H . . . . . . . 4.72 . 1.0 . . . . A 2 LYS HA . . A 2 LYS HD2 . . . 2 LYS HA . . . . . 2 LYS QD . . c30683_6uxs 1 45 41 2 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD3 H . . . . . . . 4.72 . 1.0 . . . . A 2 LYS HA . . A 2 LYS HD3 . . . 2 LYS HA . . . . . 2 LYS QD . . c30683_6uxs 1 46 42 1 . . 1 1 12 12 THR HG1 H . . . 1 1 3 3 LYS H H . . . . . . . 3.57 . 1.0 . . . . A 11 THR HG1 . . A 2 LYS H . . . 11 THR HG1 . . . . . 2 LYS H . . c30683_6uxs 1 47 43 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 THR HB H . . . . . . . 4.46 . 1.0 . . . . A 4 ILE H . . A 3 THR HB . . . 4 ILE H . . . . . 3 THR HB . . c30683_6uxs 1 48 44 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HA H . . . . . . . 2.78 . 1.0 . . . . A 3 THR H . . A 2 LYS HA . . . 3 THR H . . . . . 2 LYS HA . . c30683_6uxs 1 49 45 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HB2 H . . . . . . . 3.59 . 1.0 . . . . A 1 TRP H . . A 1 TRP HB2 . . . 1 TRP H . . . . . 1 TRP HB2 . . c30683_6uxs 1 50 46 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 3.99 . 1.0 . . . . A 1 TRP H . . A 1 TRP HB3 . . . 1 TRP H . . . . . 1 TRP HB3 . . c30683_6uxs 1 51 47 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 3.14 . 1.0 . . . . A 1 TRP HB2 . . A 1 TRP HE3 . . . 1 TRP HB2 . . . . . 1 TRP HE3 . . c30683_6uxs 1 52 48 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 3.66 . 1.0 . . . . A 1 TRP HB3 . . A 1 TRP HE3 . . . 1 TRP HB3 . . . . . 1 TRP HE3 . . c30683_6uxs 1 53 49 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 TRP HB2 H . . . . . . . 3.81 . 1.0 . . . . A 2 LYS H . . A 1 TRP HB2 . . . 2 LYS H . . . . . 1 TRP HB2 . . c30683_6uxs 1 54 50 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.18 . 1.0 . . . . A 2 LYS H . . A 1 TRP HB3 . . . 2 LYS H . . . . . 1 TRP HB3 . . c30683_6uxs 1 55 51 1 . . 1 1 2 2 TRP HZ3 H . . . 1 1 2 2 TRP HB2 H . . . . . . . 5.41 . 1.0 . . . . A 1 TRP HZ3 . . A 1 TRP HB2 . . . 1 TRP HZ3 . . . . . 1 TRP HB2 . . c30683_6uxs 1 56 52 1 . . 1 1 9 9 THR HG21 H . . . 1 1 2 2 TRP H H . . . . . . . 5.36 . 1.0 . . . . A 8 THR MG . . A 1 TRP H . . . 8 THR QG2 . . . . . 1 TRP H . . c30683_6uxs 1 57 53 1 . . 1 1 12 12 THR HG1 H . . . 1 1 2 2 TRP H H . . . . . . . 5.50 . 1.0 . . . . A 11 THR HG1 . . A 1 TRP H . . . 11 THR HG1 . . . . . 1 TRP H . . c30683_6uxs 1 58 54 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP H H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HA . . A 1 TRP H . . . 10 ARG HA . . . . . 1 TRP H . . c30683_6uxs 1 59 55 1 . . 1 1 2 2 TRP H H . . . 1 1 15 15 CYS HA H . . . . . . . 5.50 . 1.0 . . . . A 1 TRP H . . A 14 CYS HA . . . 1 TRP H . . . . . 14 CYSS HA . . c30683_6uxs 1 60 56 1 . . 1 1 2 2 TRP HE1 H . . . 1 1 15 15 CYS HB2 H . . . . . . . 4.85 . 1.0 . . . . A 1 TRP HE1 . . A 14 CYS HB2 . . . 1 TRP HE1 . . . . . 14 CYSS HB2 . . c30683_6uxs 1 61 57 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 THR HG21 H . . . . . . . 3.44 . 1.0 . . . . A 4 ILE H . . A 3 THR MG . . . 4 ILE H . . . . . 3 THR QG2 . . c30683_6uxs 1 62 58 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 4.63 . 1.0 . . . . A 3 THR H . . A 2 LYS HG2 . . . 3 THR H . . . . . 2 LYS HG2 . . c30683_6uxs 1 63 59 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 4.63 . 1.0 . . . . A 3 THR H . . A 2 LYS HG3 . . . 3 THR H . . . . . 2 LYS HG3 . . c30683_6uxs 1 64 60 1 . . 1 1 2 2 TRP HZ2 H . . . 1 1 11 11 ARG HG3 H . . . . . . . 4.50 . 1.0 . . . . A 1 TRP HZ2 . . A 10 ARG HG3 . . . 1 TRP HZ2 . . . . . 10 ARG HG3 . . c30683_6uxs 1 65 61 1 . . 1 1 12 12 THR HG21 H . . . 1 1 10 10 TRP HZ2 H . . . . . . . 3.87 . 1.0 . . . . A 11 THR MG . . A 9 TRP HZ2 . . . 11 THR QG2 . . . . . 9 TRP HZ2 . . c30683_6uxs 1 66 62 1 . . 1 1 12 12 THR HG1 H . . . 1 1 2 2 TRP HD1 H . . . . . . . 4.97 . 1.0 . . . . A 11 THR HG1 . . A 1 TRP HD1 . . . 11 THR HG1 . . . . . 1 TRP HD1 . . c30683_6uxs 1 67 63 1 . . 1 1 11 11 ARG HG3 H . . . 1 1 2 2 TRP HH2 H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HG3 . . A 1 TRP HH2 . . . 10 ARG HG3 . . . . . 1 TRP HH2 . . c30683_6uxs 1 68 64 1 . . 1 1 12 12 THR HG21 H . . . 1 1 10 10 TRP HH2 H . . . . . . . 5.28 . 1.0 . . . . A 11 THR MG . . A 9 TRP HH2 . . . 11 THR QG2 . . . . . 9 TRP HH2 . . c30683_6uxs 1 69 65 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 12 12 THR HG21 H . . . . . . . 3.74 . 1.0 . . . . A 9 TRP HD1 . . A 11 THR MG . . . 9 TRP HD1 . . . . . 11 THR QG2 . . c30683_6uxs 1 70 66 1 . . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HG2 H . . . . . . . 3.86 . 1.0 . . . . A 10 ARG HA . . A 10 ARG HG2 . . . 10 ARG HA . . . . . 10 ARG HG2 . . c30683_6uxs 1 71 67 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HG2 H . . . . . . . 4.94 . 1.0 . . . . A 14 CYS H . . A 13 GLN HG2 . . . 14 CYSS H . . . . . 13 GLN HG2 . . c30683_6uxs 1 72 68 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HG3 H . . . . . . . 4.94 . 1.0 . . . . A 14 CYS H . . A 13 GLN HG3 . . . 14 CYSS H . . . . . 13 GLN HG3 . . c30683_6uxs 1 73 69 1 . . 1 1 5 5 ILE HB H . . . 1 1 10 10 TRP HH2 H . . . . . . . 3.61 . 1.0 . . . . A 4 ILE HB . . A 9 TRP HH2 . . . 4 ILE HB . . . . . 9 TRP HH2 . . c30683_6uxs 1 74 70 1 . . 1 1 10 10 TRP HZ3 H . . . 1 1 5 5 ILE HB H . . . . . . . 3.74 . 1.0 . . . . A 9 TRP HZ3 . . A 4 ILE HB . . . 9 TRP HZ3 . . . . . 4 ILE HB . . c30683_6uxs 1 75 71 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 10 10 TRP HZ2 H . . . . . . . 4.66 . 1.0 . . . . A 4 ILE MG . . A 9 TRP HZ2 . . . 4 ILE QG2 . . . . . 9 TRP HZ2 . . c30683_6uxs 1 76 72 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 10 10 TRP HH2 H . . . . . . . 3.93 . 1.0 . . . . A 4 ILE MG . . A 9 TRP HH2 . . . 4 ILE QG2 . . . . . 9 TRP HH2 . . c30683_6uxs 1 77 73 1 . . 1 1 10 10 TRP HZ3 H . . . 1 1 5 5 ILE HG21 H . . . . . . . 5.06 . 1.0 . . . . A 9 TRP HZ3 . . A 4 ILE MG . . . 9 TRP HZ3 . . . . . 4 ILE QG2 . . c30683_6uxs 1 78 74 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 10 10 TRP HZ2 H . . . . . . . 4.30 . 1.0 . . . . A 4 ILE MD . . A 9 TRP HZ2 . . . 4 ILE QD1 . . . . . 9 TRP HZ2 . . c30683_6uxs 1 79 75 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 10 10 TRP HH2 H . . . . . . . 3.76 . 1.0 . . . . A 4 ILE MD . . A 9 TRP HH2 . . . 4 ILE QD1 . . . . . 9 TRP HH2 . . c30683_6uxs 1 80 76 1 . . 1 1 10 10 TRP HZ3 H . . . 1 1 5 5 ILE HD11 H . . . . . . . 4.38 . 1.0 . . . . A 9 TRP HZ3 . . A 4 ILE MD . . . 9 TRP HZ3 . . . . . 4 ILE QD1 . . c30683_6uxs 1 81 77 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 5 5 ILE HD11 H . . . . . . . 4.70 . 1.0 . . . . A 9 TRP HD1 . . A 4 ILE MD . . . 9 TRP HD1 . . . . . 4 ILE QD1 . . c30683_6uxs 1 82 78 1 . . 1 1 9 9 THR HG21 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 2.89 . 1.0 . . . . A 8 THR MG . . A 1 TRP HE3 . . . 8 THR QG2 . . . . . 1 TRP HE3 . . c30683_6uxs 1 83 79 1 . . 1 1 9 9 THR HG21 H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 3.33 . 1.0 . . . . A 8 THR MG . . A 1 TRP HZ3 . . . 8 THR QG2 . . . . . 1 TRP HZ3 . . c30683_6uxs 1 84 80 1 . . 1 1 9 9 THR HG21 H . . . 1 1 10 10 TRP HE3 H . . . . . . . 5.33 . 1.0 . . . . A 8 THR MG . . A 9 TRP HE3 . . . 8 THR QG2 . . . . . 9 TRP HE3 . . c30683_6uxs 1 85 81 1 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 5.50 . 1.0 . . . . A 1 TRP HZ2 . . A 10 ARG HB2 . . . 1 TRP HZ2 . . . . . 10 ARG QB . . c30683_6uxs 1 86 81 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 2 2 TRP HZ2 H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HB3 . . A 1 TRP HZ2 . . . 10 ARG QB . . . . . 1 TRP HZ2 . . c30683_6uxs 1 87 82 1 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 3.73 . 1.0 . . . . A 1 TRP HZ2 . . A 10 ARG HD2 . . . 1 TRP HZ2 . . . . . 10 ARG QD . . c30683_6uxs 1 88 82 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 2 2 TRP HZ2 H . . . . . . . 3.73 . 1.0 . . . . A 10 ARG HD3 . . A 1 TRP HZ2 . . . 10 ARG QD . . . . . 1 TRP HZ2 . . c30683_6uxs 1 89 83 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 5.34 . 1.0 . . . . A 1 TRP HE3 . . A 10 ARG HD2 . . . 1 TRP HE3 . . . . . 10 ARG QD . . c30683_6uxs 1 90 83 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 5.34 . 1.0 . . . . A 10 ARG HD3 . . A 1 TRP HE3 . . . 10 ARG QD . . . . . 1 TRP HE3 . . c30683_6uxs 1 91 84 1 OR . 1 1 2 2 TRP HH2 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 4.27 . 1.0 . . . . A 1 TRP HH2 . . A 10 ARG HD2 . . . 1 TRP HH2 . . . . . 10 ARG QD . . c30683_6uxs 1 92 84 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 2 2 TRP HH2 H . . . . . . . 4.27 . 1.0 . . . . A 10 ARG HD3 . . A 1 TRP HH2 . . . 10 ARG QD . . . . . 1 TRP HH2 . . c30683_6uxs 1 93 85 1 . . 1 1 9 9 THR HB H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.42 . 1.0 . . . . A 8 THR HB . . A 1 TRP HE3 . . . 8 THR HB . . . . . 1 TRP HE3 . . c30683_6uxs 1 94 86 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.01 . 1.0 . . . . A 10 ARG HA . . A 1 TRP HE3 . . . 10 ARG HA . . . . . 1 TRP HE3 . . c30683_6uxs 1 95 87 1 . . 1 1 12 12 THR HG21 H . . . 1 1 10 10 TRP HE1 H . . . . . . . 3.61 . 1.0 . . . . A 11 THR MG . . A 9 TRP HE1 . . . 11 THR QG2 . . . . . 9 TRP HE1 . . c30683_6uxs 1 96 88 1 . . 1 1 12 12 THR HA H . . . 1 1 10 10 TRP HE1 H . . . . . . . 4.17 . 1.0 . . . . A 11 THR HA . . A 9 TRP HE1 . . . 11 THR HA . . . . . 9 TRP HE1 . . c30683_6uxs 1 97 89 1 . . 1 1 4 4 THR HG21 H . . . 1 1 7 7 GLY H H . . . . . . . 3.81 . 1.0 . . . . A 3 THR MG . . A 6 GLY H . . . 3 THR QG2 . . . . . 6 GLY H . . c30683_6uxs 1 98 90 1 . . 1 1 12 12 THR H H . . . 1 1 11 11 ARG HG2 H . . . . . . . 4.75 . 1.0 . . . . A 11 THR H . . A 10 ARG HG2 . . . 11 THR H . . . . . 10 ARG HG2 . . c30683_6uxs 1 99 91 1 OR . 1 1 12 12 THR H H . . . 1 1 11 11 ARG HB2 H . . . . . . . 4.32 . 1.0 . . . . A 11 THR H . . A 10 ARG HB2 . . . 11 THR H . . . . . 10 ARG QB . . c30683_6uxs 1 100 91 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 12 12 THR H H . . . . . . . 4.32 . 1.0 . . . . A 10 ARG HB3 . . A 11 THR H . . . 10 ARG QB . . . . . 11 THR H . . c30683_6uxs 1 101 92 1 . . 1 1 12 12 THR H H . . . 1 1 2 2 TRP HB3 H . . . . . . . 3.97 . 1.0 . . . . A 11 THR H . . A 1 TRP HB3 . . . 11 THR H . . . . . 1 TRP HB3 . . c30683_6uxs 1 102 93 1 OR . 1 1 12 12 THR H H . . . 1 1 11 11 ARG HD2 H . . . . . . . 4.22 . 1.0 . . . . A 11 THR H . . A 10 ARG HD2 . . . 11 THR H . . . . . 10 ARG QD . . c30683_6uxs 1 103 93 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 12 12 THR H H . . . . . . . 4.22 . 1.0 . . . . A 10 ARG HD3 . . A 11 THR H . . . 10 ARG QD . . . . . 11 THR H . . c30683_6uxs 1 104 94 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 12 12 THR HA H . . . . . . . 3.97 . 1.0 . . . . A 9 TRP HD1 . . A 11 THR HA . . . 9 TRP HD1 . . . . . 11 THR HA . . c30683_6uxs 1 105 95 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 THR HA H . . . . . . . 3.23 . 1.0 . . . . A 4 ILE H . . A 3 THR HA . . . 4 ILE H . . . . . 3 THR HA . . c30683_6uxs 1 106 96 1 OR . 1 1 2 2 TRP HE1 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 4.34 . 1.0 . . . . A 1 TRP HE1 . . A 10 ARG HD2 . . . 1 TRP HE1 . . . . . 10 ARG QD . . c30683_6uxs 1 107 96 2 OR . 1 1 11 11 ARG HD3 H . . . 1 1 2 2 TRP HE1 H . . . . . . . 4.34 . 1.0 . . . . A 10 ARG HD3 . . A 1 TRP HE1 . . . 10 ARG QD . . . . . 1 TRP HE1 . . c30683_6uxs 1 108 97 1 . . 1 1 2 2 TRP HE1 H . . . 1 1 15 15 CYS HB3 H . . . . . . . 4.85 . 1.0 . . . . A 1 TRP HE1 . . A 14 CYS HB3 . . . 1 TRP HE1 . . . . . 14 CYSS HB3 . . c30683_6uxs 1 109 98 1 . . 1 1 10 10 TRP HB2 H . . . 1 1 10 10 TRP HE1 H . . . . . . . 4.86 . 1.0 . . . . A 9 TRP HB2 . . A 9 TRP HE1 . . . 9 TRP HB2 . . . . . 9 TRP HE1 . . c30683_6uxs 1 110 99 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 10 10 TRP HE1 H . . . . . . . 5.50 . 1.0 . . . . A 4 ILE MG . . A 9 TRP HE1 . . . 4 ILE QG2 . . . . . 9 TRP HE1 . . c30683_6uxs 1 111 100 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 10 10 TRP HE1 H . . . . . . . 5.00 . 1.0 . . . . A 4 ILE MD . . A 9 TRP HE1 . . . 4 ILE QD1 . . . . . 9 TRP HE1 . . c30683_6uxs 1 112 101 1 . . 1 1 2 2 TRP HE1 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 4.94 . 1.0 . . . . A 1 TRP HE1 . . A 10 ARG HG2 . . . 1 TRP HE1 . . . . . 10 ARG HG2 . . c30683_6uxs 1 113 102 1 . . 1 1 5 5 ILE HA H . . . 1 1 7 7 GLY H H . . . . . . . 5.35 . 1.0 . . . . A 4 ILE HA . . A 6 GLY H . . . 4 ILE HA . . . . . 6 GLY H . . c30683_6uxs 1 114 103 1 . . 1 1 2 2 TRP HZ2 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 4.68 . 1.0 . . . . A 1 TRP HZ2 . . A 10 ARG HG2 . . . 1 TRP HZ2 . . . . . 10 ARG HG2 . . c30683_6uxs 1 115 104 1 . . 1 1 2 2 TRP HE3 H . . . 1 1 11 11 ARG HG2 H . . . . . . . 5.12 . 1.0 . . . . A 1 TRP HE3 . . A 10 ARG HG2 . . . 1 TRP HE3 . . . . . 10 ARG HG2 . . c30683_6uxs 1 116 105 1 . . 1 1 9 9 THR HG21 H . . . 1 1 10 10 TRP H H . . . . . . . 4.74 . 1.0 . . . . A 8 THR MG . . A 9 TRP H . . . 8 THR QG2 . . . . . 9 TRP H . . c30683_6uxs 1 117 106 1 OR . 1 1 2 2 TRP HD1 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 5.50 . 1.0 . . . . A 1 TRP HD1 . . A 10 ARG HB2 . . . 1 TRP HD1 . . . . . 10 ARG QB . . c30683_6uxs 1 118 106 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 2 2 TRP HD1 H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HB3 . . A 1 TRP HD1 . . . 10 ARG QB . . . . . 1 TRP HD1 . . c30683_6uxs 1 119 107 1 OR . 1 1 2 2 TRP HH2 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 5.50 . 1.0 . . . . A 1 TRP HH2 . . A 10 ARG HB2 . . . 1 TRP HH2 . . . . . 10 ARG QB . . c30683_6uxs 1 120 107 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 2 2 TRP HH2 H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HB3 . . A 1 TRP HH2 . . . 10 ARG QB . . . . . 1 TRP HH2 . . c30683_6uxs 1 121 108 1 OR . 1 1 10 10 TRP HD1 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 4.76 . 1.0 . . . . A 9 TRP HD1 . . A 10 ARG HB2 . . . 9 TRP HD1 . . . . . 10 ARG QB . . c30683_6uxs 1 122 108 2 OR . 1 1 10 10 TRP HD1 H . . . 1 1 11 11 ARG HB3 H . . . . . . . 4.76 . 1.0 . . . . A 9 TRP HD1 . . A 10 ARG HB3 . . . 9 TRP HD1 . . . . . 10 ARG QB . . c30683_6uxs 1 123 109 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 5.50 . 1.0 . . . . A 1 TRP HE3 . . A 10 ARG HB2 . . . 1 TRP HE3 . . . . . 10 ARG QB . . c30683_6uxs 1 124 109 2 OR . 1 1 11 11 ARG HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . . . 5.50 . 1.0 . . . . A 10 ARG HB3 . . A 1 TRP HE3 . . . 10 ARG QB . . . . . 1 TRP HE3 . . c30683_6uxs 1 125 110 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HB2 H . . . . . . . 5.31 . 1.0 . . . . A 14 CYS H . . A 13 GLN HB2 . . . 14 CYSS H . . . . . 13 GLN HB2 . . c30683_6uxs 1 126 111 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 GLN HB3 H . . . . . . . 5.31 . 1.0 . . . . A 14 CYS H . . A 13 GLN HB3 . . . 14 CYSS H . . . . . 13 GLN HB3 . . c30683_6uxs 1 127 112 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 5.38 . 1.0 . . . . A 1 TRP HZ3 . . A 10 ARG HD2 . . . 1 TRP HZ3 . . . . . 10 ARG QD . . c30683_6uxs 1 128 112 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 11 11 ARG HD3 H . . . . . . . 5.38 . 1.0 . . . . A 1 TRP HZ3 . . A 10 ARG HD3 . . . 1 TRP HZ3 . . . . . 10 ARG QD . . c30683_6uxs 1 129 113 1 . . 1 1 9 9 THR HB H . . . 1 1 2 2 TRP HZ3 H . . . . . . . 4.79 . 1.0 . . . . A 8 THR HB . . A 1 TRP HZ3 . . . 8 THR HB . . . . . 1 TRP HZ3 . . c30683_6uxs 1 130 114 1 . . 1 1 2 2 TRP HZ3 H . . . 1 1 11 11 ARG HA H . . . . . . . 5.06 . 1.0 . . . . A 1 TRP HZ3 . . A 10 ARG HA . . . 1 TRP HZ3 . . . . . 10 ARG HA . . c30683_6uxs 1 131 115 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP HD1 H . . . . . . . 4.54 . 1.0 . . . . A 10 ARG HA . . A 1 TRP HD1 . . . 10 ARG HA . . . . . 1 TRP HD1 . . c30683_6uxs 1 132 116 1 . . 1 1 9 9 THR HB H . . . 1 1 10 10 TRP HE3 H . . . . . . . 5.50 . 1.0 . . . . A 8 THR HB . . A 9 TRP HE3 . . . 8 THR HB . . . . . 9 TRP HE3 . . c30683_6uxs 1 133 117 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP HZ2 H . . . . . . . 5.08 . 1.0 . . . . A 10 ARG HA . . A 1 TRP HZ2 . . . 10 ARG HA . . . . . 1 TRP HZ2 . . c30683_6uxs 1 134 118 1 . . 1 1 9 9 THR HA H . . . 1 1 10 10 TRP HE3 H . . . . . . . 4.18 . 1.0 . . . . A 8 THR HA . . A 9 TRP HE3 . . . 8 THR HA . . . . . 9 TRP HE3 . . c30683_6uxs 1 135 119 1 . . 1 1 14 14 GLN H H . . . 1 1 15 15 CYS H H . . . . . . . 4.77 . 1.0 . . . . A 13 GLN H . . A 14 CYS H . . . 13 GLN H . . . . . 14 CYSS H . . c30683_6uxs 1 136 120 1 . . 1 1 10 10 TRP H H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.79 . 1.0 . . . . A 9 TRP H . . A 1 TRP HE3 . . . 9 TRP H . . . . . 1 TRP HE3 . . c30683_6uxs 1 137 121 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 10 10 TRP H H . . . . . . . 4.53 . 1.0 . . . . A 9 TRP HD1 . . A 9 TRP H . . . 9 TRP HD1 . . . . . 9 TRP H . . c30683_6uxs 1 138 122 1 . . 1 1 10 10 TRP HE3 H . . . 1 1 10 10 TRP H H . . . . . . . 4.19 . 1.0 . . . . A 9 TRP HE3 . . A 9 TRP H . . . 9 TRP HE3 . . . . . 9 TRP H . . c30683_6uxs 1 139 123 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 TRP H H . . . . . . . 4.75 . 1.0 . . . . A 2 LYS H . . A 1 TRP H . . . 2 LYS H . . . . . 1 TRP H . . c30683_6uxs 1 140 124 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 LYS H H . . . . . . . 5.06 . 1.0 . . . . A 3 THR H . . A 2 LYS H . . . 3 THR H . . . . . 2 LYS H . . c30683_6uxs 1 141 125 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 THR H H . . . . . . . 5.44 . 1.0 . . . . A 4 ILE H . . A 3 THR H . . . 4 ILE H . . . . . 3 THR H . . c30683_6uxs 1 142 126 1 . . 1 1 12 12 THR H H . . . 1 1 3 3 LYS H H . . . . . . . 5.09 . 1.0 . . . . A 11 THR H . . A 2 LYS H . . . 11 THR H . . . . . 2 LYS H . . c30683_6uxs 1 143 127 1 . . 1 1 10 10 TRP HE3 H . . . 1 1 5 5 ILE H H . . . . . . . 5.50 . 1.0 . . . . A 9 TRP HE3 . . A 4 ILE H . . . 9 TRP HE3 . . . . . 4 ILE H . . c30683_6uxs 1 144 128 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 TRP HD1 H . . . . . . . 4.99 . 1.0 . . . . A 2 LYS H . . A 1 TRP HD1 . . . 2 LYS H . . . . . 1 TRP HD1 . . c30683_6uxs 1 145 129 1 . . 1 1 5 5 ILE H H . . . 1 1 10 10 TRP HH2 H . . . . . . . 5.14 . 1.0 . . . . A 4 ILE H . . A 9 TRP HH2 . . . 4 ILE H . . . . . 9 TRP HH2 . . c30683_6uxs 1 146 130 1 . . 1 1 10 10 TRP HZ3 H . . . 1 1 5 5 ILE H H . . . . . . . 4.62 . 1.0 . . . . A 9 TRP HZ3 . . A 4 ILE H . . . 9 TRP HZ3 . . . . . 4 ILE H . . c30683_6uxs 1 147 131 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.25 . 1.0 . . . . A 1 TRP H . . A 1 TRP HE3 . . . 1 TRP H . . . . . 1 TRP HE3 . . c30683_6uxs 1 148 132 1 . . 1 1 2 2 TRP H H . . . 1 1 2 2 TRP HD1 H . . . . . . . 3.33 . 1.0 . . . . A 1 TRP H . . A 1 TRP HD1 . . . 1 TRP H . . . . . 1 TRP HD1 . . c30683_6uxs 1 149 133 1 . . 1 1 11 11 ARG H H . . . 1 1 2 2 TRP HZ2 H . . . . . . . 5.38 . 1.0 . . . . A 10 ARG H . . A 1 TRP HZ2 . . . 10 ARG H . . . . . 1 TRP HZ2 . . c30683_6uxs 1 150 134 1 . . 1 1 11 11 ARG H H . . . 1 1 2 2 TRP HE3 H . . . . . . . 4.67 . 1.0 . . . . A 10 ARG H . . A 1 TRP HE3 . . . 10 ARG H . . . . . 1 TRP HE3 . . c30683_6uxs 1 151 135 1 . . 1 1 11 11 ARG H H . . . 1 1 2 2 TRP HH2 H . . . . . . . 5.37 . 1.0 . . . . A 10 ARG H . . A 1 TRP HH2 . . . 10 ARG H . . . . . 1 TRP HH2 . . c30683_6uxs 1 152 136 1 . . 1 1 2 2 TRP HZ3 H . . . 1 1 11 11 ARG H H . . . . . . . 4.31 . 1.0 . . . . A 1 TRP HZ3 . . A 10 ARG H . . . 1 TRP HZ3 . . . . . 10 ARG H . . c30683_6uxs 1 153 137 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 11 11 ARG H H . . . . . . . 4.36 . 1.0 . . . . A 9 TRP HD1 . . A 10 ARG H . . . 9 TRP HD1 . . . . . 10 ARG H . . c30683_6uxs 1 154 138 1 . . 1 1 11 11 ARG H H . . . 1 1 12 12 THR H H . . . . . . . 4.71 . 1.0 . . . . A 10 ARG H . . A 11 THR H . . . 10 ARG H . . . . . 11 THR H . . c30683_6uxs 1 155 139 1 OR . 1 1 11 11 ARG HB3 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 3.33 . 1.0 . . . . A 10 ARG HB3 . . A 10 ARG HD2 . . . 10 ARG QB . . . . . 10 ARG QD . . c30683_6uxs 1 156 139 2 OR . 1 1 11 11 ARG HB2 H . . . 1 1 11 11 ARG HD2 H . . . . . . . 3.33 . 1.0 . . . . A 10 ARG HB2 . . A 10 ARG HD2 . . . 10 ARG QB . . . . . 10 ARG QD . . c30683_6uxs 1 157 139 3 OR . 1 1 11 11 ARG HD3 H . . . 1 1 11 11 ARG HB2 H . . . . . . . 3.33 . 1.0 . . . . A 10 ARG HD3 . . A 10 ARG HB2 . . . 10 ARG QD . . . . . 10 ARG QB . . c30683_6uxs 1 158 139 4 OR . 1 1 11 11 ARG HB3 H . . . 1 1 11 11 ARG HD3 H . . . . . . . 3.33 . 1.0 . . . . A 10 ARG HB3 . . A 10 ARG HD3 . . . 10 ARG QB . . . . . 10 ARG QD . . c30683_6uxs 1 159 140 1 . . 1 1 12 12 THR HG1 H . . . 1 1 2 2 TRP HB3 H . . . . . . . 3.75 . 1.0 . . . . A 11 THR HG1 . . A 1 TRP HB3 . . . 11 THR HG1 . . . . . 1 TRP HB3 . . c30683_6uxs 1 160 141 1 OR . 1 1 3 3 LYS HE2 H . . . 1 1 3 3 LYS HG2 H . . . . . . . 4.00 . 1.0 . . . . A 2 LYS HE2 . . A 2 LYS HG2 . . . 2 LYS QE . . . . . 2 LYS HG2 . . c30683_6uxs 1 161 141 2 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HG2 H . . . . . . . 4.00 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HG2 . . . 2 LYS QE . . . . . 2 LYS HG2 . . c30683_6uxs 1 162 142 1 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HG3 H . . . . . . . 4.00 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HG3 . . . 2 LYS QE . . . . . 2 LYS HG3 . . c30683_6uxs 1 163 142 2 OR . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.00 . 1.0 . . . . A 2 LYS HG3 . . A 2 LYS HE2 . . . 2 LYS HG3 . . . . . 2 LYS QE . . c30683_6uxs 1 164 143 1 OR . 1 1 5 5 ILE HD11 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.07 . 1.0 . . . . A 4 ILE MD . . A 2 LYS HE2 . . . 4 ILE QD1 . . . . . 2 LYS QE . . c30683_6uxs 1 165 143 2 OR . 1 1 5 5 ILE HD11 H . . . 1 1 3 3 LYS HE3 H . . . . . . . 4.07 . 1.0 . . . . A 4 ILE MD . . A 2 LYS HE3 . . . 4 ILE QD1 . . . . . 2 LYS QE . . c30683_6uxs 1 166 144 1 . . 1 1 9 9 THR HG21 H . . . 1 1 10 10 TRP HB2 H . . . . . . . 5.50 . 1.0 . . . . A 8 THR MG . . A 9 TRP HB2 . . . 8 THR QG2 . . . . . 9 TRP HB2 . . c30683_6uxs 1 167 145 1 . . 1 1 10 10 TRP HB2 H . . . 1 1 12 12 THR HG21 H . . . . . . . 4.84 . 1.0 . . . . A 9 TRP HB2 . . A 11 THR MG . . . 9 TRP HB2 . . . . . 11 THR QG2 . . c30683_6uxs 1 168 146 1 . . 1 1 5 5 ILE HG21 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.35 . 1.0 . . . . A 4 ILE MG . . A 4 ILE HG13 . . . 4 ILE QG2 . . . . . 4 ILE HG13 . . c30683_6uxs 1 169 147 1 . . 1 1 5 5 ILE HD11 H . . . 1 1 5 5 ILE HG21 H . . . . . . . 5.50 . 1.0 . . . . A 4 ILE MD . . A 4 ILE MG . . . 4 ILE QD1 . . . . . 4 ILE QG2 . . c30683_6uxs 1 170 148 1 . . 1 1 9 9 THR HA H . . . 1 1 5 5 ILE H H . . . . . . . 4.85 . 1.0 . . . . A 8 THR HA . . A 4 ILE H . . . 8 THR HA . . . . . 4 ILE H . . c30683_6uxs 1 171 149 1 . . 1 1 12 12 THR H H . . . 1 1 2 2 TRP HD1 H . . . . . . . 5.50 . 1.0 . . . . A 11 THR H . . A 1 TRP HD1 . . . 11 THR H . . . . . 1 TRP HD1 . . c30683_6uxs 1 172 150 1 . . 1 1 10 10 TRP HD1 H . . . 1 1 12 12 THR H H . . . . . . . 5.50 . 1.0 . . . . A 9 TRP HD1 . . A 11 THR H . . . 9 TRP HD1 . . . . . 11 THR H . . c30683_6uxs 1 173 151 1 . . 1 1 12 12 THR H H . . . 1 1 2 2 TRP HE3 H . . . . . . . 5.50 . 1.0 . . . . A 11 THR H . . A 1 TRP HE3 . . . 11 THR H . . . . . 1 TRP HE3 . . c30683_6uxs 1 174 152 1 . . 1 1 4 4 THR HB H . . . 1 1 3 3 LYS HA H . . . . . . . 5.30 . 1.0 . . . . A 3 THR HB . . A 2 LYS HA . . . 3 THR HB . . . . . 2 LYS HA . . c30683_6uxs 1 175 153 1 . . 1 1 12 12 THR HA H . . . 1 1 11 11 ARG HA H . . . . . . . 5.30 . 1.0 . . . . A 11 THR HA . . A 10 ARG HA . . . 11 THR HA . . . . . 10 ARG HA . . c30683_6uxs 1 176 154 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.64 . 1.0 . . . . A 10 ARG HA . . A 1 TRP HB3 . . . 10 ARG HA . . . . . 1 TRP HB3 . . c30683_6uxs 1 177 155 1 . . 1 1 11 11 ARG HA H . . . 1 1 2 2 TRP HB2 H . . . . . . . 4.90 . 1.0 . . . . A 10 ARG HA . . A 1 TRP HB2 . . . 10 ARG HA . . . . . 1 TRP HB2 . . c30683_6uxs 1 178 156 1 . . 1 1 9 9 THR HG21 H . . . 1 1 11 11 ARG HA H . . . . . . . 5.50 . 1.0 . . . . A 8 THR MG . . A 10 ARG HA . . . 8 THR QG2 . . . . . 10 ARG HA . . c30683_6uxs 1 179 157 1 . . 1 1 9 9 THR HG1 H . . . 1 1 4 4 THR HB H . . . . . . . 5.50 . 1.0 . . . . A 8 THR HG1 . . A 3 THR HB . . . 8 THR HG1 . . . . . 3 THR HB . . c30683_6uxs 1 180 158 1 . . 1 1 11 11 ARG HA H . . . 1 1 11 11 ARG HG3 H . . . . . . . 3.71 . 1.0 . . . . A 10 ARG HA . . A 10 ARG HG3 . . . 10 ARG HA . . . . . 10 ARG HG3 . . c30683_6uxs 1 181 159 1 . . 1 1 4 4 THR HG21 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 4.56 . 1.0 . . . . A 3 THR MG . . A 6 GLY HA3 . . . 3 THR QG2 . . . . . 6 GLY HA3 . . c30683_6uxs 1 182 160 1 . . 1 1 9 9 THR HB H . . . 1 1 4 4 THR HG21 H . . . . . . . 5.05 . 1.0 . . . . A 8 THR HB . . A 3 THR MG . . . 8 THR HB . . . . . 3 THR QG2 . . c30683_6uxs 1 183 161 1 . . 1 1 4 4 THR HG21 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.56 . 1.0 . . . . A 3 THR MG . . A 6 GLY HA2 . . . 3 THR QG2 . . . . . 6 GLY HA2 . . c30683_6uxs 1 184 162 1 . . 1 1 5 5 ILE HA H . . . 1 1 4 4 THR HG21 H . . . . . . . 4.54 . 1.0 . . . . A 4 ILE HA . . A 3 THR MG . . . 4 ILE HA . . . . . 3 THR QG2 . . c30683_6uxs 1 185 163 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.01 . 1.0 . . . . A 4 ILE HA . . A 4 ILE HG13 . . . 4 ILE HA . . . . . 4 ILE HG13 . . c30683_6uxs 1 186 164 1 . . 1 1 9 9 THR HG21 H . . . 1 1 2 2 TRP HB2 H . . . . . . . 3.58 . 1.0 . . . . A 8 THR MG . . A 1 TRP HB2 . . . 8 THR QG2 . . . . . 1 TRP HB2 . . c30683_6uxs 1 187 165 1 . . 1 1 9 9 THR HG21 H . . . 1 1 2 2 TRP HB3 H . . . . . . . 4.23 . 1.0 . . . . A 8 THR MG . . A 1 TRP HB3 . . . 8 THR QG2 . . . . . 1 TRP HB3 . . c30683_6uxs 1 188 166 1 OR . 1 1 2 2 TRP H H . . . 1 1 15 15 CYS HB2 H . . . . . . . 4.07 . 1.0 . . . . A 1 TRP H . . A 14 CYS HB2 . . . 1 TRP H . . . . . 14 CYSS QB . . c30683_6uxs 1 189 166 2 OR . 1 1 2 2 TRP H H . . . 1 1 15 15 CYS HB3 H . . . . . . . 4.07 . 1.0 . . . . A 1 TRP H . . A 14 CYS HB3 . . . 1 TRP H . . . . . 14 CYSS QB . . c30683_6uxs 1 190 167 1 OR . 1 1 2 2 TRP HD1 H . . . 1 1 15 15 CYS HB2 H . . . . . . . 3.11 . 1.0 . . . . A 1 TRP HD1 . . A 14 CYS HB2 . . . 1 TRP HD1 . . . . . 14 CYSS QB . . c30683_6uxs 1 191 167 2 OR . 1 1 2 2 TRP HD1 H . . . 1 1 15 15 CYS HB3 H . . . . . . . 3.11 . 1.0 . . . . A 1 TRP HD1 . . A 14 CYS HB3 . . . 1 TRP HD1 . . . . . 14 CYSS QB . . c30683_6uxs 1 192 168 1 OR . 1 1 2 2 TRP HE1 H . . . 1 1 15 15 CYS HB2 H . . . . . . . 4.26 . 1.0 . . . . A 1 TRP HE1 . . A 14 CYS HB2 . . . 1 TRP HE1 . . . . . 14 CYSS QB . . c30683_6uxs 1 193 168 2 OR . 1 1 2 2 TRP HE1 H . . . 1 1 15 15 CYS HB3 H . . . . . . . 4.26 . 1.0 . . . . A 1 TRP HE1 . . A 14 CYS HB3 . . . 1 TRP HE1 . . . . . 14 CYSS QB . . c30683_6uxs 1 194 169 1 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 3.50 . 1.0 . . . . A 2 LYS H . . A 2 LYS HB2 . . . 2 LYS H . . . . . 2 LYS QB . . c30683_6uxs 1 195 169 2 OR . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 3.50 . 1.0 . . . . A 2 LYS H . . A 2 LYS HB3 . . . 2 LYS H . . . . . 2 LYS QB . . c30683_6uxs 1 196 170 1 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.61 . 1.0 . . . . A 2 LYS HB2 . . A 2 LYS HE2 . . . 2 LYS QB . . . . . 2 LYS QE . . c30683_6uxs 1 197 170 2 OR . 1 1 3 3 LYS HB3 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 4.61 . 1.0 . . . . A 2 LYS HB3 . . A 2 LYS HE2 . . . 2 LYS QB . . . . . 2 LYS QE . . c30683_6uxs 1 198 170 3 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HB2 H . . . . . . . 4.61 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HB2 . . . 2 LYS QE . . . . . 2 LYS QB . . c30683_6uxs 1 199 170 4 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HB3 H . . . . . . . 4.61 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HB3 . . . 2 LYS QE . . . . . 2 LYS QB . . c30683_6uxs 1 200 171 1 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HB2 H . . . . . . . 4.32 . 1.0 . . . . A 3 THR H . . A 2 LYS HB2 . . . 3 THR H . . . . . 2 LYS QB . . c30683_6uxs 1 201 171 2 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HB3 H . . . . . . . 4.32 . 1.0 . . . . A 3 THR H . . A 2 LYS HB3 . . . 3 THR H . . . . . 2 LYS QB . . c30683_6uxs 1 202 172 1 OR . 1 1 3 3 LYS HE2 H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.38 . 1.0 . . . . A 2 LYS HE2 . . A 2 LYS HG2 . . . 2 LYS QE . . . . . 2 LYS QG . . c30683_6uxs 1 203 172 2 OR . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 3.38 . 1.0 . . . . A 2 LYS HG3 . . A 2 LYS HE2 . . . 2 LYS QG . . . . . 2 LYS QE . . c30683_6uxs 1 204 172 3 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HG3 H . . . . . . . 3.38 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HG3 . . . 2 LYS QE . . . . . 2 LYS QG . . c30683_6uxs 1 205 172 4 OR . 1 1 3 3 LYS HE3 H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.38 . 1.0 . . . . A 2 LYS HE3 . . A 2 LYS HG2 . . . 2 LYS QE . . . . . 2 LYS QG . . c30683_6uxs 1 206 173 1 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG2 H . . . . . . . 3.91 . 1.0 . . . . A 3 THR H . . A 2 LYS HG2 . . . 3 THR H . . . . . 2 LYS QG . . c30683_6uxs 1 207 173 2 OR . 1 1 4 4 THR H H . . . 1 1 3 3 LYS HG3 H . . . . . . . 3.91 . 1.0 . . . . A 3 THR H . . A 2 LYS HG3 . . . 3 THR H . . . . . 2 LYS QG . . c30683_6uxs 1 208 174 1 OR . 1 1 3 3 LYS HE2 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.95 . 1.0 . . . . A 2 LYS HE2 . . A 4 ILE HG13 . . . 2 LYS QE . . . . . 4 ILE QG1 . . c30683_6uxs 1 209 174 2 OR . 1 1 3 3 LYS HE3 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.95 . 1.0 . . . . A 2 LYS HE3 . . A 4 ILE HG13 . . . 2 LYS QE . . . . . 4 ILE QG1 . . c30683_6uxs 1 210 174 3 OR . 1 1 5 5 ILE HG12 H . . . 1 1 3 3 LYS HE2 H . . . . . . . 3.95 . 1.0 . . . . A 4 ILE HG12 . . A 2 LYS HE2 . . . 4 ILE QG1 . . . . . 2 LYS QE . . c30683_6uxs 1 211 174 4 OR . 1 1 3 3 LYS HE3 H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.95 . 1.0 . . . . A 2 LYS HE3 . . A 4 ILE HG12 . . . 2 LYS QE . . . . . 4 ILE QG1 . . c30683_6uxs 1 212 175 1 OR . 1 1 4 4 THR HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.71 . 1.0 . . . . A 3 THR HA . . A 4 ILE HG13 . . . 3 THR HA . . . . . 4 ILE QG1 . . c30683_6uxs 1 213 175 2 OR . 1 1 4 4 THR HA H . . . 1 1 5 5 ILE HG12 H . . . . . . . 4.71 . 1.0 . . . . A 3 THR HA . . A 4 ILE HG12 . . . 3 THR HA . . . . . 4 ILE QG1 . . c30683_6uxs 1 214 176 1 OR . 1 1 4 4 THR HG21 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 3.69 . 1.0 . . . . A 3 THR MG . . A 6 GLY HA3 . . . 3 THR QG2 . . . . . 6 GLY QA . . c30683_6uxs 1 215 176 2 OR . 1 1 4 4 THR HG21 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.69 . 1.0 . . . . A 3 THR MG . . A 6 GLY HA2 . . . 3 THR QG2 . . . . . 6 GLY QA . . c30683_6uxs 1 216 177 1 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.77 . 1.0 . . . . A 4 ILE H . . A 4 ILE HG13 . . . 4 ILE H . . . . . 4 ILE QG1 . . c30683_6uxs 1 217 177 2 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.77 . 1.0 . . . . A 4 ILE H . . A 4 ILE HG12 . . . 4 ILE H . . . . . 4 ILE QG1 . . c30683_6uxs 1 218 178 1 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.45 . 1.0 . . . . A 4 ILE HA . . A 4 ILE HG13 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c30683_6uxs 1 219 178 2 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.45 . 1.0 . . . . A 4 ILE HA . . A 4 ILE HG12 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c30683_6uxs 1 220 179 1 OR . 1 1 10 10 TRP HE1 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.58 . 1.0 . . . . A 9 TRP HE1 . . A 4 ILE HG13 . . . 9 TRP HE1 . . . . . 4 ILE QG1 . . c30683_6uxs 1 221 179 2 OR . 1 1 10 10 TRP HE1 H . . . 1 1 5 5 ILE HG12 H . . . . . . . 4.58 . 1.0 . . . . A 9 TRP HE1 . . A 4 ILE HG12 . . . 9 TRP HE1 . . . . . 4 ILE QG1 . . c30683_6uxs 1 222 180 1 OR . 1 1 10 10 TRP HH2 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.84 . 1.0 . . . . A 9 TRP HH2 . . A 4 ILE HG13 . . . 9 TRP HH2 . . . . . 4 ILE QG1 . . c30683_6uxs 1 223 180 2 OR . 1 1 10 10 TRP HH2 H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.84 . 1.0 . . . . A 9 TRP HH2 . . A 4 ILE HG12 . . . 9 TRP HH2 . . . . . 4 ILE QG1 . . c30683_6uxs 1 224 181 1 OR . 1 1 12 12 THR HG21 H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.44 . 1.0 . . . . A 11 THR MG . . A 4 ILE HG13 . . . 11 THR QG2 . . . . . 4 ILE QG1 . . c30683_6uxs 1 225 181 2 OR . 1 1 12 12 THR HG21 H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.44 . 1.0 . . . . A 11 THR MG . . A 4 ILE HG12 . . . 11 THR QG2 . . . . . 4 ILE QG1 . . c30683_6uxs 1 226 182 1 OR . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB2 H . . . . . . . 3.40 . 1.0 . . . . A 13 GLN H . . A 13 GLN HB2 . . . 13 GLN H . . . . . 13 GLN QB . . c30683_6uxs 1 227 182 2 OR . 1 1 14 14 GLN H H . . . 1 1 14 14 GLN HB3 H . . . . . . . 3.40 . 1.0 . . . . A 13 GLN H . . A 13 GLN HB3 . . . 13 GLN H . . . . . 13 GLN QB . . c30683_6uxs 1 228 183 1 OR . 1 1 14 14 GLN HA H . . . 1 1 14 14 GLN HG3 H . . . . . . . 3.48 . 1.0 . . . . A 13 GLN HA . . A 13 GLN HG3 . . . 13 GLN HA . . . . . 13 GLN QG . . c30683_6uxs 1 229 183 2 OR . 1 1 14 14 GLN HA H . . . 1 1 14 14 GLN HG2 H . . . . . . . 3.48 . 1.0 . . . . A 13 GLN HA . . A 13 GLN HG2 . . . 13 GLN HA . . . . . 13 GLN QG . . c30683_6uxs 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: final.upl' 1 1 1 30 c30683_6uxs 1 2 'peak 14 #plist 1 #SUP 0.94 #QF 0.94' 2 39 2 74 c30683_6uxs 1 3 'peak 15 #plist 1 #SUP 0.94 #QF 0.94' 3 39 3 74 c30683_6uxs 1 4 'peak 16 #plist 1 #SUP 0.90 #QF 0.90' 4 39 4 74 c30683_6uxs 1 5 'peak 18 #plist 1 #SUP 0.99 #QF 0.99' 5 39 5 74 c30683_6uxs 1 6 'peak 40 #plist 1 #SUP 0.99 #QF 0.99' 6 39 6 74 c30683_6uxs 1 7 'peak 41 #plist 1 #SUP 0.88 #QF 0.88' 7 39 7 74 c30683_6uxs 1 8 'peak 42 #plist 1 #SUP 0.98 #QF 0.98' 8 39 8 74 c30683_6uxs 1 9 'peak 43 #plist 1 #SUP 1.00 #QF 0.99' 9 39 9 74 c30683_6uxs 1 10 'peak 47 #plist 1 #SUP 0.98 #QF 0.94' 10 39 10 74 c30683_6uxs 1 11 'peak 47 #plist 1 #SUP 0.98 #QF 0.94' 11 39 11 74 c30683_6uxs 1 12 'peak 48 #plist 1 #SUP 0.86 #QF 0.86' 12 39 12 74 c30683_6uxs 1 13 'peak 50 #plist 1 #SUP 0.84 #QF 0.84' 13 39 13 74 c30683_6uxs 1 14 'peak 51 #plist 1 #SUP 0.99 #QF 0.99' 14 39 14 74 c30683_6uxs 1 15 'peak 52 #plist 1 #SUP 1.00' 15 39 15 65 c30683_6uxs 1 16 'peak 54 #plist 1 #SUP 1.00' 16 39 16 65 c30683_6uxs 1 17 'peak 67 #plist 1 #SUP 0.82 #QF 0.82' 17 39 17 74 c30683_6uxs 1 18 'peak 68 #plist 1 #SUP 1.00' 18 39 18 65 c30683_6uxs 1 19 'peak 70 #plist 1 #SUP 0.85 #QF 0.85' 19 39 19 74 c30683_6uxs 1 20 'peak 71 #plist 1 #SUP 0.97 #QF 0.28' 20 39 20 74 c30683_6uxs 1 21 'peak 71 #plist 1 #SUP 0.97 #QF 0.28' 21 39 21 74 c30683_6uxs 1 22 'peak 72 #plist 1 #SUP 0.63 #QF 0.36' 22 39 22 74 c30683_6uxs 1 23 'peak 72 #plist 1 #SUP 0.63 #QF 0.36' 23 39 23 74 c30683_6uxs 1 24 'peak 81 #plist 1 #SUP 0.85 #QF 0.85' 24 39 24 74 c30683_6uxs 1 25 'peak 84 #plist 1 #SUP 0.97 #QF 0.97' 25 39 25 74 c30683_6uxs 1 26 'peak 85 #plist 1 #SUP 0.94 #QF 0.94' 26 39 26 74 c30683_6uxs 1 27 'peak 87 #plist 1 #SUP 0.95 #QF 0.95' 27 39 27 74 c30683_6uxs 1 28 'peak 88 #plist 1 #SUP 0.86 #QF 0.86' 28 39 28 74 c30683_6uxs 1 29 'peak 91 #plist 1 #SUP 0.73 #QF 0.73' 29 39 29 74 c30683_6uxs 1 30 'peak 93 #plist 1 #SUP 0.63 #QF 0.63' 30 39 30 74 c30683_6uxs 1 31 'peak 94 #plist 1 #SUP 0.85 #QF 0.85' 31 39 31 74 c30683_6uxs 1 32 'peak 98 #plist 1 #SUP 0.96 #QF 0.96' 32 39 32 74 c30683_6uxs 1 33 'peak 100 #plist 1 #SUP 0.98 #QF 0.98' 33 39 33 75 c30683_6uxs 1 34 'peak 103 #plist 1 #SUP 0.92 #QF 0.53' 34 39 34 75 c30683_6uxs 1 35 'peak 104 #plist 1 #SUP 0.95 #QF 0.95' 35 39 35 75 c30683_6uxs 1 36 'peak 106 #plist 1 #SUP 0.95 #QF 0.95' 36 39 36 75 c30683_6uxs 1 37 'peak 108 #plist 1 #SUP 0.94 #QF 0.94' 37 39 37 75 c30683_6uxs 1 38 'peak 112 #plist 1 #SUP 0.90 #QF 0.48' 38 39 38 75 c30683_6uxs 1 39 'peak 115 #plist 1 #SUP 0.99 #QF 0.99' 39 39 39 75 c30683_6uxs 1 40 'peak 116 #plist 1 #SUP 0.98 #QF 0.98' 40 39 40 75 c30683_6uxs 1 41 'peak 117 #plist 1 #SUP 0.99 #QF 0.99' 41 39 41 75 c30683_6uxs 1 42 'peak 118 #plist 1 #SUP 0.94 #QF 0.94' 42 39 42 75 c30683_6uxs 1 43 'peak 119 #plist 1 #SUP 0.98 #QF 0.98' 43 39 43 75 c30683_6uxs 1 44 'peak 122 #plist 1 #SUP 0.96 #QF 0.96' 44 39 44 75 c30683_6uxs 1 45 'peak 123 #plist 1 #SUP 0.91 #QF 0.91' 45 39 45 75 c30683_6uxs 1 46 'peak 155 #plist 1 #SUP 0.99 #QF 0.99' 46 39 46 75 c30683_6uxs 1 47 'peak 159 #plist 1 #SUP 1.00' 47 39 47 66 c30683_6uxs 1 48 'peak 160 #plist 1 #SUP 0.91 #QF 0.91' 48 39 48 75 c30683_6uxs 1 49 'peak 161 #plist 1 #SUP 0.99 #QF 0.99' 49 39 49 75 c30683_6uxs 1 50 'peak 162 #plist 1 #SUP 0.98 #QF 0.98' 50 39 50 75 c30683_6uxs 1 51 'peak 167 #plist 1 #SUP 0.97 #QF 0.97' 51 39 51 75 c30683_6uxs 1 52 'peak 168 #plist 1 #SUP 0.99 #QF 0.99' 52 39 52 75 c30683_6uxs 1 53 'peak 169 #plist 1 #SUP 0.97 #QF 0.47' 53 39 53 75 c30683_6uxs 1 54 'peak 170 #plist 1 #SUP 0.95 #QF 0.95' 54 39 54 75 c30683_6uxs 1 55 'peak 171 #plist 1 #SUP 0.93 #QF 0.33' 55 39 55 75 c30683_6uxs 1 56 'peak 172 #plist 1 #SUP 0.99 #QF 0.99' 56 39 56 75 c30683_6uxs 1 57 'peak 174 #plist 1 #SUP 0.87 #QF 0.87' 57 39 57 75 c30683_6uxs 1 58 'peak 177 #plist 1 #SUP 0.92 #QF 0.88' 58 39 58 75 c30683_6uxs 1 59 'peak 178 #plist 1 #SUP 0.65 #QF 0.26' 59 39 59 75 c30683_6uxs 1 60 'peak 179 #plist 1 #SUP 0.76 #QF 0.76' 60 39 60 75 c30683_6uxs 1 61 'peak 181 #plist 1 #SUP 0.79 #QF 0.79' 61 39 61 75 c30683_6uxs 1 62 'peak 183 #plist 1 #SUP 0.97 #QF 0.97' 62 39 62 75 c30683_6uxs 1 63 'peak 186 #plist 1 #SUP 0.64 #QF 0.64' 63 39 63 75 c30683_6uxs 1 64 'peak 190 #plist 1 #SUP 0.93 #QF 0.93' 64 39 64 75 c30683_6uxs 1 65 'peak 191 #plist 1 #SUP 0.63 #QF 0.63' 65 39 65 75 c30683_6uxs 1 66 'peak 199 #plist 1 #SUP 0.94 #QF 0.94' 66 39 66 75 c30683_6uxs 1 67 'peak 200 #plist 1 #SUP 0.99 #QF 0.93' 67 39 67 75 c30683_6uxs 1 68 'peak 203 #plist 1 #SUP 0.91 #QF 0.91' 68 39 68 75 c30683_6uxs 1 69 'peak 204 #plist 1 #SUP 0.99 #QF 0.99' 69 39 69 75 c30683_6uxs 1 70 'peak 205 #plist 1 #SUP 0.96 #QF 0.96' 70 39 70 75 c30683_6uxs 1 71 'peak 206 #plist 1 #SUP 0.90 #QF 0.90' 71 39 71 75 c30683_6uxs 1 72 'peak 207 #plist 1 #SUP 0.95 #QF 0.93' 72 39 72 75 c30683_6uxs 1 73 'peak 207 #plist 1 #SUP 0.95 #QF 0.93' 73 39 73 75 c30683_6uxs 1 74 'peak 208 #plist 1 #SUP 0.59 #QF 0.59' 74 39 74 75 c30683_6uxs 1 75 'peak 210 #plist 1 #SUP 0.92 #QF 0.92' 75 39 75 75 c30683_6uxs 1 76 'peak 211 #plist 1 #SUP 0.91 #QF 0.91' 76 39 76 75 c30683_6uxs 1 77 'peak 212 #plist 1 #SUP 0.81 #QF 0.81' 77 39 77 75 c30683_6uxs 1 78 'peak 213 #plist 1 #SUP 0.84 #QF 0.84' 78 39 78 75 c30683_6uxs 1 79 'peak 214 #plist 1 #SUP 0.94 #QF 0.94' 79 39 79 75 c30683_6uxs 1 80 'peak 215 #plist 1 #SUP 0.88 #QF 0.88' 80 39 80 75 c30683_6uxs 1 81 'peak 217 #plist 1 #SUP 0.75 #QF 0.75' 81 39 81 75 c30683_6uxs 1 82 'peak 221 #plist 1 #SUP 0.97 #QF 0.97' 82 39 82 75 c30683_6uxs 1 83 'peak 223 #plist 1 #SUP 0.95 #QF 0.95' 83 39 83 75 c30683_6uxs 1 84 'peak 224 #plist 1 #SUP 0.86 #QF 0.80' 84 39 84 75 c30683_6uxs 1 85 'peak 224 #plist 1 #SUP 0.86 #QF 0.80' 85 39 85 75 c30683_6uxs 1 86 'peak 225 #plist 1 #SUP 0.67 #QF 0.67' 86 39 86 75 c30683_6uxs 1 87 'peak 226 #plist 1 #SUP 0.55 #QF 0.55' 87 39 87 75 c30683_6uxs 1 88 'peak 228 #plist 1 #SUP 0.87 #QF 0.82' 88 39 88 75 c30683_6uxs 1 89 'peak 228 #plist 1 #SUP 0.87 #QF 0.82' 89 39 89 75 c30683_6uxs 1 90 'peak 229 #plist 1 #SUP 0.97 #QF 0.97' 90 39 90 75 c30683_6uxs 1 91 'peak 231 #plist 1 #SUP 0.95 #QF 0.95' 91 39 91 75 c30683_6uxs 1 92 'peak 248 #plist 1 #SUP 0.76 #QF 0.76' 92 39 92 75 c30683_6uxs 1 93 'peak 262 #plist 1 #SUP 0.93 #QF 0.93' 93 39 93 75 c30683_6uxs 1 94 'peak 263 #plist 1 #SUP 0.94 #QF 0.94' 94 39 94 75 c30683_6uxs 1 95 'peak 264 #plist 1 #SUP 0.93 #QF 0.93' 95 39 95 75 c30683_6uxs 1 96 'peak 265 #plist 1 #SUP 1.00' 96 39 96 66 c30683_6uxs 1 97 'peak 266 #plist 1 #SUP 1.00' 97 39 97 66 c30683_6uxs 1 98 'peak 267 #plist 1 #SUP 0.99 #QF 0.98' 98 39 98 75 c30683_6uxs 1 99 'peak 268 #plist 1 #SUP 0.94 #QF 0.94' 99 39 99 75 c30683_6uxs 1 100 'peak 269 #plist 1 #SUP 0.92 #QF 0.92' 100 39 100 75 c30683_6uxs 1 101 'peak 272 #plist 1 #SUP 0.96 #QF 0.96' 101 39 101 75 c30683_6uxs 1 102 'peak 273 #plist 1 #SUP 0.88 #QF 0.88' 102 39 102 75 c30683_6uxs 1 103 'peak 274 #plist 1 #SUP 0.48 #QF 0.48' 103 39 103 75 c30683_6uxs 1 104 'peak 275 #plist 1 #SUP 1.00' 104 39 104 66 c30683_6uxs 1 105 'peak 276 #plist 1 #SUP 1.00' 105 39 105 66 c30683_6uxs 1 106 'peak 278 #plist 1 #SUP 0.48 #QF 0.48' 106 39 106 75 c30683_6uxs 1 107 'peak 279 #plist 1 #SUP 0.98 #QF 0.98' 107 39 107 75 c30683_6uxs 1 108 'peak 280 #plist 1 #SUP 0.97 #QF 0.97' 108 39 108 75 c30683_6uxs 1 109 'peak 281 #plist 1 #SUP 0.96 #QF 0.96' 109 39 109 75 c30683_6uxs 1 110 'peak 282 #plist 1 #SUP 0.94 #QF 0.94' 110 39 110 75 c30683_6uxs 1 111 'peak 283 #plist 1 #SUP 0.86 #QF 0.86' 111 39 111 75 c30683_6uxs 1 112 'peak 285 #plist 1 #SUP 0.90 #QF 0.90' 112 39 112 75 c30683_6uxs 1 113 'peak 286 #plist 1 #SUP 0.84 #QF 0.84' 113 39 113 75 c30683_6uxs 1 114 'peak 289 #plist 1 #SUP 0.81 #QF 0.45' 114 39 114 75 c30683_6uxs 1 115 'peak 292 #plist 1 #SUP 0.93 #QF 0.93' 115 39 115 75 c30683_6uxs 1 116 'peak 293 #plist 1 #SUP 0.94 #QF 0.94' 116 39 116 75 c30683_6uxs 1 117 'peak 295 #plist 1 #SUP 0.95 #QF 0.24' 117 39 117 75 c30683_6uxs 1 118 'peak 296 #plist 1 #SUP 0.98 #QF 0.98' 118 39 118 75 c30683_6uxs 1 119 'peak 297 #plist 1 #SUP 0.99 #QF 0.99' 119 39 119 75 c30683_6uxs 1 120 'peak 298 #plist 1 #SUP 0.95 #QF 0.95' 120 39 120 75 c30683_6uxs 1 121 'peak 299 #plist 1 #SUP 0.98 #QF 0.98' 121 39 121 75 c30683_6uxs 1 122 'peak 300 #plist 1 #SUP 0.95 #QF 0.95' 122 39 122 75 c30683_6uxs 1 123 'peak 301 #plist 1 #SUP 0.85 #QF 0.85' 123 39 123 75 c30683_6uxs 1 124 'peak 302 #plist 1 #SUP 0.94 #QF 0.94' 124 39 124 75 c30683_6uxs 1 125 'peak 303 #plist 1 #SUP 0.81 #QF 0.81' 125 39 125 75 c30683_6uxs 1 126 'peak 304 #plist 1 #SUP 0.85 #QF 0.85' 126 39 126 75 c30683_6uxs 1 127 'peak 305 #plist 1 #SUP 0.50 #QF 0.50' 127 39 127 75 c30683_6uxs 1 128 'peak 306 #plist 1 #SUP 0.95 #QF 0.95' 128 39 128 75 c30683_6uxs 1 129 'peak 307 #plist 1 #SUP 0.94 #QF 0.94' 129 39 129 75 c30683_6uxs 1 130 'peak 309 #plist 1 #SUP 0.84 #QF 0.84' 130 39 130 75 c30683_6uxs 1 131 'peak 310 #plist 1 #SUP 0.77 #QF 0.77' 131 39 131 75 c30683_6uxs 1 132 'peak 312 #plist 1 #SUP 0.86 #QF 0.86' 132 39 132 75 c30683_6uxs 1 133 'peak 313 #plist 1 #SUP 0.22 #QF 0.22' 133 39 133 75 c30683_6uxs 1 134 'peak 315 #plist 1 #SUP 0.83 #QF 0.83' 134 39 134 75 c30683_6uxs 1 135 'peak 316 #plist 1 #SUP 0.84 #QF 0.84' 135 39 135 75 c30683_6uxs 1 136 'peak 331 #plist 1 #SUP 0.97 #QF 0.92' 136 39 136 75 c30683_6uxs 1 137 'peak 331 #plist 1 #SUP 0.97 #QF 0.92' 137 39 137 75 c30683_6uxs 1 138 'peak 334 #plist 1 #SUP 0.99 #QF 0.99' 138 39 138 75 c30683_6uxs 1 139 'peak 336 #plist 1 #SUP 1.00' 139 39 139 66 c30683_6uxs 1 140 'peak 337 #plist 1 #SUP 0.96 #QF 0.96' 140 39 140 75 c30683_6uxs 1 141 'peak 338 #plist 1 #SUP 0.98 #QF 0.98' 141 39 141 75 c30683_6uxs 1 142 'peak 342 #plist 1 #SUP 0.85 #QF 0.85' 142 39 142 75 c30683_6uxs 1 143 'peak 343 #plist 1 #SUP 0.63 #QF 0.43' 143 39 143 75 c30683_6uxs 1 144 'peak 345 #plist 1 #SUP 0.87 #QF 0.87' 144 39 144 75 c30683_6uxs 1 145 'peak 350 #plist 1 #SUP 0.91 #QF 0.91' 145 39 145 75 c30683_6uxs 1 146 'peak 351 #plist 1 #SUP 0.44 #QF 0.44' 146 39 146 75 c30683_6uxs 1 147 'peak 353 #plist 1 #SUP 0.95 #QF 0.94' 147 39 147 75 c30683_6uxs 1 148 'peak 354 #plist 1 #SUP 0.98 #QF 0.83' 148 39 148 75 c30683_6uxs 1 149 'peak 354 #plist 1 #SUP 0.98 #QF 0.83' 149 39 149 75 c30683_6uxs 1 150 'peak 356 #plist 1 #SUP 0.99 #QF 0.99' 150 39 150 75 c30683_6uxs 1 151 'peak 358 #plist 1 #SUP 0.80 #QF 0.80' 151 39 151 75 c30683_6uxs 1 152 'peak 361 #plist 1 #SUP 0.89 #QF 0.89' 152 39 152 75 c30683_6uxs 1 153 'peak 362 #plist 1 #SUP 0.93 #QF 0.52' 153 39 153 75 c30683_6uxs 1 154 'peak 362 #plist 1 #SUP 0.93 #QF 0.52' 154 39 154 75 c30683_6uxs 1 155 'peak 363 #plist 1 #SUP 0.98 #QF 0.98' 155 39 155 75 c30683_6uxs 1 156 'peak 364 #plist 1 #SUP 0.99 #QF 0.99' 156 39 156 75 c30683_6uxs 1 157 'peak 365 #plist 1 #SUP 0.99 #QF 0.99' 157 39 157 75 c30683_6uxs 1 158 'peak 367 #plist 1 #SUP 0.96 #QF 0.96' 158 39 158 75 c30683_6uxs 1 159 'peak 368 #plist 1 #SUP 0.97 #QF 0.97' 159 39 159 75 c30683_6uxs 1 160 'peak 369 #plist 1 #SUP 0.91 #QF 0.91' 160 39 160 75 c30683_6uxs 1 161 'peak 372 #plist 1 #SUP 0.86 #QF 0.86' 161 39 161 75 c30683_6uxs 1 162 'peak 379 #plist 1 #SUP 0.98 #QF 0.98' 162 39 162 75 c30683_6uxs 1 163 'peak 386 #plist 1 #SUP 0.94 #QF 0.94' 163 39 163 75 c30683_6uxs 1 164 'peak 387 #plist 1 #SUP 0.87 #QF 0.87' 164 39 164 75 c30683_6uxs 1 165 'peak 388 #plist 1 #SUP 0.68 #QF 0.68' 165 39 165 75 c30683_6uxs 1 166 'peak 389 #plist 1 #SUP 0.98 #QF 0.98' 166 39 166 75 c30683_6uxs 1 167 'peak 390 #plist 1 #SUP 1.00' 167 39 167 66 c30683_6uxs 1 168 'peak 390 #plist 1 #SUP 1.00' 168 39 168 66 c30683_6uxs 1 169 'peak 391 #plist 1 #SUP 0.92 #QF 0.92' 169 39 169 75 c30683_6uxs 1 170 'peak 392 #plist 1 #SUP 0.88 #QF 0.88' 170 39 170 75 c30683_6uxs 1 171 'peak 393 #plist 1 #SUP 0.94 #QF 0.94' 171 39 171 75 c30683_6uxs 1 172 'peak 395 #plist 1 #SUP 0.91 #QF 0.91' 172 39 172 75 c30683_6uxs 1 173 'peak 396 #plist 1 #SUP 0.94 #QF 0.94' 173 39 173 75 c30683_6uxs 1 174 'peak 397 #plist 1 #SUP 0.98 #QF 0.98' 174 39 174 75 c30683_6uxs 1 175 'peak 399 #plist 1 #SUP 0.97 #QF 0.97' 175 39 175 75 c30683_6uxs 1 176 'peak 400 #plist 1 #SUP 0.87 #QF 0.87' 176 39 176 75 c30683_6uxs 1 177 'peak 401 #plist 1 #SUP 0.90 #QF 0.90' 177 39 177 75 c30683_6uxs 1 178 'peak 402 #plist 1 #SUP 0.99 #QF 0.99' 178 39 178 75 c30683_6uxs 1 179 'peak 403 #plist 1 #SUP 0.95 #QF 0.95' 179 39 179 75 c30683_6uxs 1 180 'peak 404 #plist 1 #SUP 0.98 #QF 0.98' 180 39 180 75 c30683_6uxs 1 181 'peak 405 #plist 1 #SUP 0.96 #QF 0.96' 181 39 181 75 c30683_6uxs 1 182 'peak 406 #plist 1 #SUP 0.87 #QF 0.87' 182 39 182 75 c30683_6uxs 1 183 'peak 407 #plist 1 #SUP 1.00' 183 39 183 66 c30683_6uxs 1 184 'peak 408 #plist 1 #SUP 0.96 #QF 0.96' 184 39 184 75 c30683_6uxs 1 185 'peak 409 #plist 1 #SUP 0.94 #QF 0.94' 185 39 185 75 c30683_6uxs 1 186 'peak 410 #plist 1 #SUP 0.95 #QF 0.95' 186 39 186 75 c30683_6uxs 1 187 'peak 411 #plist 1 #SUP 0.98 #QF 0.98' 187 39 187 75 c30683_6uxs 1 188 'peak 414 #plist 1 #SUP 0.50 #QF 0.50' 188 39 188 75 c30683_6uxs 1 189 'peak 415 #plist 1 #SUP 0.99 #QF 0.87' 189 39 189 75 c30683_6uxs 1 190 'peak 415 #plist 1 #SUP 0.99 #QF 0.87' 190 39 190 75 c30683_6uxs 1 191 'peak 416 #plist 1 #SUP 0.99 #QF 0.99' 191 39 191 75 c30683_6uxs 1 192 'peak 417 #plist 1 #SUP 0.90 #QF 0.77' 192 39 192 75 c30683_6uxs 1 193 'peak 418 #plist 1 #SUP 0.84 #QF 0.84' 193 39 193 75 c30683_6uxs 1 194 'peak 420 #plist 1 #SUP 0.64 #QF 0.64' 194 39 194 75 c30683_6uxs 1 195 'peak 421 #plist 1 #SUP 0.90 #QF 0.90' 195 39 195 75 c30683_6uxs 1 196 'peak 422 #plist 1 #SUP 0.99 #QF 0.40' 196 39 196 75 c30683_6uxs 1 197 'peak 446 #plist 1 #SUP 0.53 #QF 0.53' 197 39 197 75 c30683_6uxs 1 198 'peak 448 #plist 1 #SUP 0.84 #QF 0.84' 198 39 198 75 c30683_6uxs 1 199 'peak 449 #plist 1 #SUP 0.93 #QF 0.93' 199 39 199 75 c30683_6uxs 1 200 'peak 452 #plist 1 #SUP 0.78 #QF 0.78' 200 39 200 75 c30683_6uxs 1 201 'peak 454 #plist 1 #SUP 0.82 #QF 0.82' 201 39 201 75 c30683_6uxs 1 202 'peak 455 #plist 1 #SUP 0.81 #QF 0.81' 202 39 202 75 c30683_6uxs 1 203 'peak 456 #plist 1 #SUP 0.99 #QF 0.99' 203 39 203 75 c30683_6uxs 1 204 'peak 461 #plist 1 #SUP 0.85 #QF 0.85' 204 39 204 75 c30683_6uxs 1 205 'peak 462 #plist 1 #SUP 0.95 #QF 0.95' 205 39 205 75 c30683_6uxs 1 206 'peak 463 #plist 1 #SUP 0.97 #QF 0.82' 206 39 206 75 c30683_6uxs 1 207 'peak 463 #plist 1 #SUP 0.97 #QF 0.82' 207 39 207 75 c30683_6uxs 1 208 'peak 464 #plist 1 #SUP 0.76 #QF 0.76' 208 39 208 75 c30683_6uxs 1 209 'peak 465 #plist 1 #SUP 0.98 #QF 0.98' 209 39 209 75 c30683_6uxs 1 210 'peak 466 #plist 1 #SUP 0.88 #QF 0.88' 210 39 210 75 c30683_6uxs 1 211 'peak 468 #plist 1 #SUP 0.88 #QF 0.88' 211 39 211 75 c30683_6uxs 1 212 'peak 469 #plist 1 #SUP 0.81 #QF 0.81' 212 39 212 75 c30683_6uxs 1 213 'peak 471 #plist 1 #SUP 0.95 #QF 0.94' 213 39 213 75 c30683_6uxs 1 214 'peak 471 #plist 1 #SUP 0.95 #QF 0.94' 214 39 214 75 c30683_6uxs 1 215 'peak 472 #plist 1 #SUP 0.63 #QF 0.63' 215 39 215 75 c30683_6uxs 1 216 'peak 473 #plist 1 #SUP 0.92 #QF 0.92' 216 39 216 75 c30683_6uxs 1 217 'peak 474 #plist 1 #SUP 0.94 #QF 0.94' 217 39 217 75 c30683_6uxs 1 218 'peak 475 #plist 1 #SUP 0.79 #QF 0.79' 218 39 218 75 c30683_6uxs 1 219 'peak 476 #plist 1 #SUP 0.87 #QF 0.68' 219 39 219 75 c30683_6uxs 1 220 'peak 476 #plist 1 #SUP 0.87 #QF 0.68' 220 39 220 75 c30683_6uxs 1 221 'peak 477 #plist 1 #SUP 0.98 #QF 0.98' 221 39 221 75 c30683_6uxs 1 222 'peak 478 #plist 1 #SUP 0.91 #QF 0.91' 222 39 222 75 c30683_6uxs 1 223 'peak 479 #plist 1 #SUP 0.78 #QF 0.78' 223 39 223 75 c30683_6uxs 1 224 'peak 480 #plist 1 #SUP 0.54 #QF 0.54' 224 39 224 75 c30683_6uxs 1 225 'peak 481 #plist 1 #SUP 0.99 #QF 0.99' 225 39 225 75 c30683_6uxs 1 226 'peak 484 #plist 1 #SUP 0.77 #QF 0.77' 226 39 226 75 c30683_6uxs 1 227 'peak 494 #plist 1 #SUP 0.87 #QF 0.87' 227 39 227 75 c30683_6uxs 1 228 'peak 495 #plist 1 #SUP 0.97 #QF 0.97' 228 39 228 75 c30683_6uxs 1 229 'peak 496 #plist 1 #SUP 0.97 #QF 0.97' 229 39 229 75 c30683_6uxs 1 230 'peak 510 #plist 1 #SUP 0.84 #QF 0.84' 230 39 230 75 c30683_6uxs 1 231 'peak 263 #plist 1' 231 39 231 56 c30683_6uxs 1 232 'peak 264 #plist 1' 232 39 232 56 c30683_6uxs 1 233 'peak 200 #plist 1' 233 39 233 56 c30683_6uxs 1 234 'peak 202 #plist 1' 234 39 234 56 c30683_6uxs 1 235 'peak 217 #plist 1' 235 39 235 56 c30683_6uxs 1 236 'peak 169 #plist 1' 236 39 236 56 c30683_6uxs 1 237 'peak 413 #plist 1' 237 39 237 56 c30683_6uxs 1 238 'peak 311 #plist 1' 238 39 238 56 c30683_6uxs 1 239 'peak 415 #plist 1' 239 39 239 56 c30683_6uxs 1 240 'peak 224 #plist 1' 240 39 240 56 c30683_6uxs 1 241 'peak 492 #plist 1' 241 39 241 56 c30683_6uxs 1 242 'peak 178 #plist 1' 242 39 242 56 c30683_6uxs 1 243 'peak 473 #plist 1' 243 39 243 56 c30683_6uxs 1 244 'peak 169 #plist 1' 244 39 244 56 c30683_6uxs 1 245 'peak 222 #plist 1' 245 39 245 56 c30683_6uxs 1 246 'peak 479 #plist 1' 246 39 246 56 c30683_6uxs 1 247 'peak 501 #plist 1' 247 39 247 56 c30683_6uxs 1 248 'peak 450 #plist 1' 248 39 248 56 c30683_6uxs 1 249 'peak 482 #plist 1' 249 39 249 56 c30683_6uxs 1 250 'peak 339 #plist 1' 250 39 250 56 c30683_6uxs 1 251 'peak 290 #plist 1' 251 39 251 56 c30683_6uxs 1 252 'peak 513 #plist 1' 252 39 252 56 c30683_6uxs 1 253 'peak 469 #plist 1' 253 39 253 56 c30683_6uxs 1 254 'peak 151 #plist 1' 254 39 254 56 c30683_6uxs 1 255 'peak 506 #plist 1' 255 39 255 56 c30683_6uxs 1 256 'peak 423 #plist 1' 256 39 256 56 c30683_6uxs 1 257 'peak 309 #plist 1' 257 39 257 56 c30683_6uxs 1 258 'peak 144 #plist 1' 258 39 258 56 c30683_6uxs 1 259 'peak 484 #plist 1' 259 39 259 56 c30683_6uxs 1 260 'peak 146 #plist 1' 260 39 260 56 c30683_6uxs 1 261 'peak 15 #plist 1' 261 39 261 55 c30683_6uxs 1 262 'peak 19 #plist 1' 262 39 262 55 c30683_6uxs 1 263 'peak 41 #plist 1' 263 39 263 55 c30683_6uxs 1 264 'peak 507 #plist 1' 264 39 264 56 c30683_6uxs 1 265 'peak 272 #plist 1' 265 39 265 56 c30683_6uxs 1 266 'peak 271 #plist 1' 266 39 266 56 c30683_6uxs 1 267 'peak 447 #plist 1' 267 39 267 56 c30683_6uxs 1 268 'peak 53 #plist 1' 268 39 268 55 c30683_6uxs 1 269 'peak 289 #plist 1' 269 39 269 56 c30683_6uxs 1 270 'peak 355 #plist 1' 270 39 270 56 c30683_6uxs 1 271 'peak 118 #plist 1' 271 39 271 56 c30683_6uxs 1 272 'peak 123 #plist 1' 272 39 272 56 c30683_6uxs 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .7.H' (nmrStar names),' .7.HB2' (nmrStar names) not linked" c30683_6uxs 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .7.H' (nmrStar names),' .7.HB3' (nmrStar names) not linked" c30683_6uxs 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .7.QG' (nmrStar names),' .7.HZ' (nmrStar names) not linked" c30683_6uxs 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .7.H' (nmrStar names),' .7.QG' (nmrStar names) not linked" c30683_6uxs 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .7.HA' (nmrStar names),' .7.HD2' (nmrStar names) not linked" c30683_6uxs 1 6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .7.HA' (nmrStar names),' .7.HD3' (nmrStar names) not linked" c30683_6uxs 1 7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .7.QG' (nmrStar names),' .7.HA' (nmrStar names) not linked" c30683_6uxs 1 8 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .7.HA' (nmrStar names) not linked" c30683_6uxs 1 9 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" c30683_6uxs 1 10 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" c30683_6uxs 1 11 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .7.QG' (nmrStar names) not linked" c30683_6uxs 1 12 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 13 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .12.H' (nmrStar names),' .12.QB' (nmrStar names) not linked" c30683_6uxs 1 14 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .12.H' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30683_6uxs 1 15 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .12.H' (nmrStar names) not linked" c30683_6uxs 1 16 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .12.QG' (nmrStar names),' .12.HZ' (nmrStar names) not linked" c30683_6uxs 1 17 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .12.HA' (nmrStar names),' .12.QE' (nmrStar names) not linked" c30683_6uxs 1 18 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .12.HA' (nmrStar names),' .12.QD' (nmrStar names) not linked" c30683_6uxs 1 19 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .12.QG' (nmrStar names),' .12.QD' (nmrStar names) not linked" c30683_6uxs 1 20 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .12.QG' (nmrStar names),' .12.HA' (nmrStar names) not linked" c30683_6uxs 1 21 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .7.HE2' (nmrStar names) not linked" c30683_6uxs 1 22 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .7.HE3' (nmrStar names) not linked" c30683_6uxs 1 23 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 24 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 25 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 26 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 27 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 28 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 29 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 30 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .7.HB2' (nmrStar names) not linked" c30683_6uxs 1 31 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .7.HB3' (nmrStar names) not linked" c30683_6uxs 1 32 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .7.QG' (nmrStar names) not linked" c30683_6uxs 1 33 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 34 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 35 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .7.H' (nmrStar names) not linked" c30683_6uxs 1 36 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .5.HZ' (nmrStar names) not linked" c30683_6uxs 1 37 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .12.QB' (nmrStar names) not linked" c30683_6uxs 1 38 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .5.HB2' (nmrStar names) not linked" c30683_6uxs 1 39 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .5.HB3' (nmrStar names) not linked" c30683_6uxs 1 40 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .5.H' (nmrStar names) not linked" c30683_6uxs 1 41 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .5.H' (nmrStar names) not linked" c30683_6uxs 1 42 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .7.QG' (nmrStar names) not linked" c30683_6uxs 1 43 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .7.H' (nmrStar names) not linked" c30683_6uxs 1 44 2 181 1 "Not handling restraint 181, item 1, resonance(s) ' .7.H' (nmrStar names) not linked" c30683_6uxs 1 45 2 183 1 "Not handling restraint 183, item 1, resonance(s) ' .7.H' (nmrStar names) not linked" c30683_6uxs 1 46 2 184 1 "Not handling restraint 184, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 47 2 185 1 "Not handling restraint 185, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 48 2 193 1 "Not handling restraint 193, item 1, resonance(s) ' .5.QE' (nmrStar names),' .5.HG3' (nmrStar names) not linked" c30683_6uxs 1 49 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .12.QG' (nmrStar names),' .12.QE' (nmrStar names) not linked" c30683_6uxs 1 50 2 195 1 "Not handling restraint 195, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 51 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .12.QB' (nmrStar names),' .12.QG' (nmrStar names) not linked" c30683_6uxs 1 52 2 203 1 "Not handling restraint 203, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" c30683_6uxs 1 53 2 205 1 "Not handling restraint 205, item 1, resonance(s) ' .12.HA' (nmrStar names) not linked" c30683_6uxs 1 54 2 206 1 "Not handling restraint 206, item 1, resonance(s) ' .12.HA' (nmrStar names) not linked" c30683_6uxs 1 55 2 210 1 "Not handling restraint 210, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.HG2' (nmrStar names) not linked" c30683_6uxs 1 56 2 211 1 "Not handling restraint 211, item 1, resonance(s) ' .5.HG3' (nmrStar names),' .5.HA' (nmrStar names) not linked" c30683_6uxs 1 57 2 216 1 "Not handling restraint 216, item 1, resonance(s) ' .5.HA' (nmrStar names) not linked" c30683_6uxs 1 58 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .12.HA' (nmrStar names) not linked" c30683_6uxs 1 59 2 219 1 "Not handling restraint 219, item 1, resonance(s) ' .12.HA' (nmrStar names) not linked" c30683_6uxs 1 60 2 223 1 "Not handling restraint 223, item 1, resonance(s) ' .12.QB' (nmrStar names) not linked" c30683_6uxs 1 61 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .12.QB' (nmrStar names),' .12.QE' (nmrStar names) not linked" c30683_6uxs 1 62 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .5.QE' (nmrStar names),' .5.HG2' (nmrStar names) not linked" c30683_6uxs 1 63 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 64 2 229 1 "Not handling restraint 229, item 1, resonance(s) ' .12.QB' (nmrStar names),' .12.QD' (nmrStar names) not linked" c30683_6uxs 1 65 2 230 1 "Not handling restraint 230, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 66 2 230 1 "Not handling restraint 230, item 1, resonance(s) ' .0.HA2' (nmrStar names) not linked" c30683_6uxs 1 67 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 68 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .0.HA3' (nmrStar names) not linked" c30683_6uxs 1 69 2 244 1 "Not handling restraint 244, item 1, resonance(s) ' .7.QB' (nmrStar names) not linked" c30683_6uxs 1 70 2 246 1 "Not handling restraint 246, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" c30683_6uxs 1 71 2 247 1 "Not handling restraint 247, item 1, resonance(s) ' .5.QG' (nmrStar names) not linked" c30683_6uxs 1 72 2 248 1 "Not handling restraint 248, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 73 2 248 1 "Not handling restraint 248, item 1, resonance(s) ' .5.QE' (nmrStar names) not linked" c30683_6uxs 1 74 2 252 1 "Not handling restraint 252, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.QG' (nmrStar names) not linked" c30683_6uxs 1 75 2 253 1 "Not handling restraint 253, item 1, resonance(s) ' .5.HA' (nmrStar names),' .5.QD' (nmrStar names) not linked" c30683_6uxs 1 76 2 254 1 "Not handling restraint 254, item 1, resonance(s) ' .5.QD' (nmrStar names),' .5.QB' (nmrStar names) not linked" c30683_6uxs 1 77 2 255 1 "Not handling restraint 255, item 1, resonance(s) ' .5.QE' (nmrStar names),' .5.QB' (nmrStar names) not linked" c30683_6uxs 1 78 2 256 1 "Not handling restraint 256, item 1, resonance(s) ' .5.QB' (nmrStar names) not linked" c30683_6uxs 1 79 2 257 1 "Not handling restraint 257, item 1, resonance(s) ' .7.H' (nmrStar names),' .5.QB' (nmrStar names) not linked" c30683_6uxs 1 80 2 258 1 "Not handling restraint 258, item 1, resonance(s) ' .5.QE' (nmrStar names),' .5.QG' (nmrStar names) not linked" c30683_6uxs 1 81 2 259 1 "Not handling restraint 259, item 1, resonance(s) ' .5.HZ' (nmrStar names),' .5.QG' (nmrStar names) not linked" c30683_6uxs 1 82 2 260 1 "Not handling restraint 260, item 1, resonance(s) ' .7.H' (nmrStar names),' .7.QB' (nmrStar names) not linked" c30683_6uxs 1 83 2 261 1 "Not handling restraint 261, item 1, resonance(s) ' .7.H' (nmrStar names),' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 84 2 262 1 "Not handling restraint 262, item 1, resonance(s) ' .7.HA' (nmrStar names),' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 85 2 263 1 "Not handling restraint 263, item 1, resonance(s) ' .7.QB' (nmrStar names),' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 86 2 264 1 "Not handling restraint 264, item 1, resonance(s) ' .7.QB' (nmrStar names) not linked" c30683_6uxs 1 87 2 265 1 "Not handling restraint 265, item 1, resonance(s) ' .7.QB' (nmrStar names) not linked" c30683_6uxs 1 88 2 266 1 "Not handling restraint 266, item 1, resonance(s) ' .7.QG' (nmrStar names),' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 89 2 267 1 "Not handling restraint 267, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 90 2 268 1 "Not handling restraint 268, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 91 2 269 1 "Not handling restraint 269, item 1, resonance(s) ' .7.QD' (nmrStar names) not linked" c30683_6uxs 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Entry_ID c30683_6uxs _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER TRANSCRIPTION 08-NOV-19 6UXS *TITLE SOLUTION STRUCTURE OF THE CYCLIC PEPTIDE 3.1B *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLIC PEPTIDE 3.1B; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS BROMODOMAIN, BET, CYCLIC PEPTIDE, INHIBITOR, RAPID, TRANSCRIPTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR P.D.SOLOMON *REVDAT 1 18-NOV-20 6UXS 0' save_