data_c16020_2kad ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c16020_2kad _Entry.Title ; Magic-Angle-Spinning Solid-State NMR Structure of Influenza A M2 Transmembrane Domain ; _Entry.Version_type new _Entry.Submission_date 2008-11-04 _Entry.Accession_date 2008-11-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.0.8.125 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Details '13C and 15N chemical shifts of DLPC-bound M2(22-46) measured by solid-state NMR.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mei Hong M. . . c16020_2kad 2 Sarah Cady S. D. . c16020_2kad 3 Tatiana Mishanina T. V. . c16020_2kad stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'transmembrane helix' . c16020_2kad 'proton channel' . c16020_2kad 'lipid bilayers' . c16020_2kad 'influenza A' . c16020_2kad 'solid-state NMR' . c16020_2kad stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c16020_2kad stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 51 c16020_2kad '15N chemical shifts' 11 c16020_2kad stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 2010-02-04 2008-11-04 update author 'update ligand saveframe' c16020_2kad 2 2009-02-16 2008-11-04 update BMRB 'update entry citation' c16020_2kad 1 2009-02-04 2008-11-04 original author 'original release' c16020_2kad stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID c16020_2kad _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19061899 _Citation.Full_citation . _Citation.Title 'Structure of Amantadine-Bound M2 Transmembrane Peptide of Influenza A in Lipid Bilayers from Magic-Angle-Spinning Solid-State NMR: the Role of Ser31 in Amantadine Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 385 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1127 _Citation.Page_last 1141 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sarah Cady S. D. . c16020_2kad 1 2 Tatiana Mishanina T. V. . c16020_2kad 1 3 Mei Hong M. . . c16020_2kad 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID c16020_2kad _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18230730 _Citation.Full_citation . _Citation.Title 'Amantadine-induced conformational and dynamical changes of the influenza M2 transmembrane proton channel' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1483 _Citation.Page_last 1488 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sarah Cady S. D. . c16020_2kad 2 2 Mei Hong M. . . c16020_2kad 2 stop_ save_ save_citations_3 _Citation.Sf_category citations _Citation.Sf_framecode citations_3 _Citation.Entry_ID c16020_2kad _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17705425 _Citation.Full_citation . _Citation.Title 'Side-Chain Conformation of the M2 Transmembrane Peptide Proton Channel of INfluenza A Virus from 19F Solid-State NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 111 _Citation.Journal_issue 36 _Citation.Journal_ASTM JPCBFK _Citation.Journal_ISSN 1089-5647 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10825 _Citation.Page_last 10832 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wenbin Luo W. . . c16020_2kad 3 2 Rajeswari Mani R. . . c16020_2kad 3 3 Mei Hong M. . . c16020_2kad 3 stop_ save_ save_citations_4 _Citation.Sf_category citations _Citation.Sf_framecode citations_4 _Citation.Entry_ID c16020_2kad _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16734478 _Citation.Full_citation . _Citation.Title 'Determination of the Oligomeric Number and Intermolecular Distances of Membrane Protein Assemblies by Anisotropic 1H-Drive Spin Diffusion NMR Spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 22 _Citation.Journal_ASTM JACSAT _Citation.Journal_ISSN 0002-7863 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7242 _Citation.Page_last 7251 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wenbin Luo W. . . c16020_2kad 4 2 Mei Hong M. . . c16020_2kad 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c16020_2kad _Assembly.ID 1 _Assembly.Name 'M2 Transmembrane Peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'M2 Transmembrane Peptide_1' 1 $M2_Transmembrane_Peptide A . yes native no no . . . c16020_2kad 1 2 'M2 Transmembrane Peptide_2' 1 $M2_Transmembrane_Peptide B . yes native no no . . . c16020_2kad 1 3 'M2 Transmembrane Peptide_3' 1 $M2_Transmembrane_Peptide C . yes native no no . . . c16020_2kad 1 4 'M2 Transmembrane Peptide_4' 1 $M2_Transmembrane_Peptide D . yes native no no . . . c16020_2kad 1 5 AMANTADINE 2 $308 E . yes native no no . . . c16020_2kad 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M2_Transmembrane_Peptide _Entity.Sf_category entity _Entity.Sf_framecode M2_Transmembrane_Peptide _Entity.Entry_ID c16020_2kad _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M2_Transmembrane_Peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSDPLVVAASIIGILHLIAW ILDRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'transmembrane domain of influenza A M2 protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2688.241 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2012-04-29 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KAD . 'Magic-Angle-Spinning Solid-State Nmr Structure Of Influenza A M2 Transmembrane Domain' . . . . . 100.00 25 100.00 100.00 1.18e-06 . . . . c16020_2kad 1 no GB AAZ16348 . 'matrix protein 2 [Influenza A virus (A/Duck/Hunan/191/05(H5N1))]' . . . . . 68.00 38 100.00 100.00 2.32e-01 . . . . c16020_2kad 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proton channel' c16020_2kad 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . c16020_2kad 1 2 . SER . c16020_2kad 1 3 . ASP . c16020_2kad 1 4 . PRO . c16020_2kad 1 5 . LEU . c16020_2kad 1 6 . VAL . c16020_2kad 1 7 . VAL . c16020_2kad 1 8 . ALA . c16020_2kad 1 9 . ALA . c16020_2kad 1 10 . SER . c16020_2kad 1 11 . ILE . c16020_2kad 1 12 . ILE . c16020_2kad 1 13 . GLY . c16020_2kad 1 14 . ILE . c16020_2kad 1 15 . LEU . c16020_2kad 1 16 . HIS . c16020_2kad 1 17 . LEU . c16020_2kad 1 18 . ILE . c16020_2kad 1 19 . ALA . c16020_2kad 1 20 . TRP . c16020_2kad 1 21 . ILE . c16020_2kad 1 22 . LEU . c16020_2kad 1 23 . ASP . c16020_2kad 1 24 . ARG . c16020_2kad 1 25 . LEU . c16020_2kad 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 . SER 1 1 c16020_2kad 1 . SER 2 2 c16020_2kad 1 . ASP 3 3 c16020_2kad 1 . PRO 4 4 c16020_2kad 1 . LEU 5 5 c16020_2kad 1 . VAL 6 6 c16020_2kad 1 . VAL 7 7 c16020_2kad 1 . ALA 8 8 c16020_2kad 1 . ALA 9 9 c16020_2kad 1 . SER 10 10 c16020_2kad 1 . ILE 11 11 c16020_2kad 1 . ILE 12 12 c16020_2kad 1 . GLY 13 13 c16020_2kad 1 . ILE 14 14 c16020_2kad 1 . LEU 15 15 c16020_2kad 1 . HIS 16 16 c16020_2kad 1 . LEU 17 17 c16020_2kad 1 . ILE 18 18 c16020_2kad 1 . ALA 19 19 c16020_2kad 1 . TRP 20 20 c16020_2kad 1 . ILE 21 21 c16020_2kad 1 . LEU 22 22 c16020_2kad 1 . ASP 23 23 c16020_2kad 1 . ARG 24 24 c16020_2kad 1 . LEU 25 25 c16020_2kad 1 stop_ save_ save_308 _Entity.Sf_category entity _Entity.Sf_framecode 308 _Entity.Entry_ID c16020_2kad _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 308 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 308 _Entity.Nonpolymer_comp_label $chem_comp_308 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 308 . c16020_2kad 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c16020_2kad _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $M2_Transmembrane_Peptide . 197911 . . 'Influenzavirus A' 'Influenzavirus A' . . Viruses . 'Influenzavirus A' . . . . . . . . . . . . . . . . . . . . . . c16020_2kad 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c16020_2kad _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $M2_Transmembrane_Peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Solid phase peptide synthesis' . . c16020_2kad 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_308 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_308 _Chem_comp.Entry_ID c16020_2kad _Chem_comp.ID 308 _Chem_comp.Name (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code 308 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2008-02-21 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 308 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms Amantadine _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H17 N' _Chem_comp.Formula_weight 151.249 _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 3C9J _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:14:38 2009 ; _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 NC12CC3CC(C1)CC(C2)C3 SMILES ACDLabs 10.04 c16020_2kad 308 InChI=1/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10- InChI InChI 1.02b c16020_2kad 308 DKNWSYNQZKUICI-CHIWXEEVBH InChIKey InChI 1.02b c16020_2kad 308 NC12CC3CC(CC(C3)C1)C2 SMILES_CANONICAL CACTVS 3.341 c16020_2kad 308 NC12CC3CC(CC(C3)C1)C2 SMILES CACTVS 3.341 c16020_2kad 308 C1C2CC3CC1CC(C2)(C3)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c16020_2kad 308 C1C2CC3CC1CC(C2)(C3)N SMILES 'OpenEye OEToolkits' 1.5.0 c16020_2kad 308 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 (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine 'SYSTEMATIC NAME' ACDLabs 10.04 c16020_2kad 308 adamantan-1-amine 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c16020_2kad 308 stop_ loop_ _Chem_comp_atom.Atom_ID _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 N1 N1 . . N . . N 0 . . . . no no . . . . -14.735 . 14.685 . -1.856 . 2.693 0.000 -0.064 1 . c16020_2kad 308 C10 C10 . . C . . N 0 . . . . no no . . . . -14.859 . 14.348 . -3.353 . 1.224 0.000 -0.032 2 . c16020_2kad 308 C7 C7 . . C . . N 0 . . . . no no . . . . -16.099 . 13.385 . -3.659 . 0.700 -1.273 -0.699 3 . c16020_2kad 308 C1 C1 . . C . . N 0 . . . . no no . . . . -16.190 . 12.836 . -5.144 . -0.830 -1.273 -0.666 4 . c16020_2kad 308 C8 C8 . . C . . N 0 . . . . no no . . . . -15.095 . 15.549 . -4.310 . 0.745 0.050 1.420 5 . c16020_2kad 308 C5 C5 . . C . . N 0 . . . . no no . . . . -15.240 . 15.058 . -5.832 . -0.784 0.050 1.453 6 . c16020_2kad 308 C6 C6 . . C . . N 0 . . . . no no . . . . -16.364 . 13.977 . -6.137 . -1.309 -1.224 0.786 7 . c16020_2kad 308 C4 C4 . . C . . N 0 . . . . no no . . . . -13.846 . 14.474 . -6.194 . -1.311 1.273 0.700 8 . c16020_2kad 308 C9 C9 . . C . . N 0 . . . . no no . . . . -13.466 . 13.856 . -3.751 . 0.698 1.224 -0.785 9 . c16020_2kad 308 C3 C3 . . C . . N 0 . . . . no no . . . . -13.637 . 13.266 . -5.221 . -0.831 1.224 -0.752 10 . c16020_2kad 308 C2 C2 . . C . . N 0 . . . . no no . . . . -14.816 . 12.221 . -5.486 . -1.356 -0.050 -1.419 11 . c16020_2kad 308 HN1 HN1 . . H . . N 0 . . . . no no . . . . -14.708 . 13.838 . -1.324 . 3.064 0.831 0.371 12 . c16020_2kad 308 HN1A HN1A . . H . . N 0 . . . . no no . . . . -13.894 . 15.203 . -1.700 . 3.064 -0.831 0.371 13 . c16020_2kad 308 H7 H7 . . H . . N 0 . . . . no no . . . . -16.015 . 12.516 . -2.990 . 1.041 -1.309 -1.733 14 . c16020_2kad 308 H7A H7A . . H . . N 0 . . . . no no . . . . -17.002 . 13.993 . -3.503 . 1.075 -2.145 -0.162 15 . c16020_2kad 308 H1 H1 . . H . . N 0 . . . . no no . . . . -17.032 . 12.131 . -5.207 . -1.203 -2.181 -1.141 16 . c16020_2kad 308 H8 H8 . . H . . N 0 . . . . no no . . . . -16.019 . 16.066 . -4.012 . 1.120 -0.822 1.957 17 . c16020_2kad 308 H8A H8A . . H . . N 0 . . . . no no . . . . -14.230 . 16.225 . -4.242 . 1.119 0.957 1.895 18 . c16020_2kad 308 H5 H5 . . H . . N 0 . . . . no no . . . . -15.562 . 15.921 . -6.433 . -1.125 0.085 2.487 19 . c16020_2kad 308 H6 H6 . . H . . N 0 . . . . no no . . . . -16.258 . 13.602 . -7.166 . -2.398 -1.224 0.809 20 . c16020_2kad 308 H6A H6A . . H . . N 0 . . . . no no . . . . -17.364 . 14.424 . -6.038 . -0.934 -2.095 1.322 21 . c16020_2kad 308 H4 H4 . . H . . N 0 . . . . no no . . . . -13.821 . 14.142 . -7.242 . -2.400 1.273 0.723 22 . c16020_2kad 308 H4A H4A . . H . . N 0 . . . . no no . . . . -13.049 . 15.225 . -6.088 . -0.937 2.181 1.175 23 . c16020_2kad 308 H9 H9 . . H . . N 0 . . . . no no . . . . -12.740 . 14.682 . -3.741 . 1.072 2.131 -0.310 24 . c16020_2kad 308 H9A H9A . . H . . N 0 . . . . no no . . . . -13.082 . 13.101 . -3.049 . 1.039 1.188 -1.819 25 . c16020_2kad 308 H3 H3 . . H . . N 0 . . . . no no . . . . -12.720 . 12.680 . -5.383 . -1.206 2.095 -1.288 26 . c16020_2kad 308 H2 H2 . . H . . N 0 . . . . no no . . . . -14.655 . 11.334 . -4.856 . -1.015 -0.085 -2.454 27 . c16020_2kad 308 H2A H2A . . H . . N 0 . . . . no no . . . . -14.810 . 11.948 . -6.552 . -2.445 -0.050 -1.396 28 . c16020_2kad 308 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 N1 C10 no N 1 . c16020_2kad 308 2 . SING C10 C7 no N 2 . c16020_2kad 308 3 . SING C10 C8 no N 3 . c16020_2kad 308 4 . SING C10 C9 no N 4 . c16020_2kad 308 5 . SING C7 C1 no N 5 . c16020_2kad 308 6 . SING C1 C6 no N 6 . c16020_2kad 308 7 . SING C1 C2 no N 7 . c16020_2kad 308 8 . SING C8 C5 no N 8 . c16020_2kad 308 9 . SING C5 C6 no N 9 . c16020_2kad 308 10 . SING C5 C4 no N 10 . c16020_2kad 308 11 . SING C4 C3 no N 11 . c16020_2kad 308 12 . SING C9 C3 no N 12 . c16020_2kad 308 13 . SING C3 C2 no N 13 . c16020_2kad 308 14 . SING N1 HN1 no N 14 . c16020_2kad 308 15 . SING N1 HN1A no N 15 . c16020_2kad 308 16 . SING C7 H7 no N 16 . c16020_2kad 308 17 . SING C7 H7A no N 17 . c16020_2kad 308 18 . SING C1 H1 no N 18 . c16020_2kad 308 19 . SING C8 H8 no N 19 . c16020_2kad 308 20 . SING C8 H8A no N 20 . c16020_2kad 308 21 . SING C5 H5 no N 21 . c16020_2kad 308 22 . SING C6 H6 no N 22 . c16020_2kad 308 23 . SING C6 H6A no N 23 . c16020_2kad 308 24 . SING C4 H4 no N 24 . c16020_2kad 308 25 . SING C4 H4A no N 25 . c16020_2kad 308 26 . SING C9 H9 no N 26 . c16020_2kad 308 27 . SING C9 H9A no N 27 . c16020_2kad 308 28 . SING C3 H3 no N 28 . c16020_2kad 308 29 . SING C2 H2 no N 29 . c16020_2kad 308 30 . SING C2 H2A no N 30 . c16020_2kad 308 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_M2_Transmembrane_Peptide_sample _Sample.Sf_category sample _Sample.Sf_framecode M2_Transmembrane_Peptide_sample _Sample.Entry_ID c16020_2kad _Sample.ID 1 _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'Solid-State NMR: DLPC:M2TMP:amantadine 15:1:8, 10 mM phosphate buffer, 1 mM EDTA, 0.1 mM NaN3, pH 7.5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'Solid-State NMR: Hydrated DLPC gel, approx. 50% H2O by weight. DLPC:M2TMP:Amantadine 15:1:8' _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 'M2 Transmembrane Peptide' 'Selective U-13C, 15N labeled' . . 1 $M2_Transmembrane_Peptide . . . 4 6 mg . . . . c16020_2kad 1 2 Amantadine 'natural abundance' . . 2 $308 . . . 15 25 mg . . . . c16020_2kad 1 3 DLPC 'natural abundance' . . . . . . . 15 25 mg . . . . c16020_2kad 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c16020_2kad 1 5 'sodium azide' 'natural abundance' . . . . . . .1 . . mM . . . . c16020_2kad 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . c16020_2kad 1 7 H2O 'natural abundance' . . . . . . . 20 25 mg . . . . c16020_2kad 1 stop_ save_ ####################### # Sample conditions # ####################### save_M2_Transmembrane_Peptide_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode M2_Transmembrane_Peptide_conditions _Sample_condition_list.Entry_ID c16020_2kad _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH c16020_2kad 1 pressure 1 . atm c16020_2kad 1 temperature 243 . K c16020_2kad 1 stop_ save_ ############################ # Computer software used # ############################ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID c16020_2kad _Software.ID 1 _Software.Name Topspin _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c16020_2kad 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c16020_2kad 1 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c16020_2kad _Software.ID 2 _Software.Name InsightII _Software.Version 2005 _Software.Details 'Biopolymer module' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . c16020_2kad 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c16020_2kad 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c16020_2kad _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID c16020_2kad _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_400 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 400 _NMR_spectrometer_list.Entry_ID c16020_2kad _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . . . c16020_2kad 1 2 spectrometer_2 Bruker DRX . 400 . . . c16020_2kad 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c16020_2kad _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.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.Entry_ID _Experiment.Experiment_list_ID 1 2D_13C-13C_DQF_COSY no . . 1 $M2_Transmembrane_Peptide_sample solid . . 1 $M2_Transmembrane_Peptide_conditions . . . . . . . . . c16020_2kad 1 2 2D_15N-13C_HETCOR no . . 1 $M2_Transmembrane_Peptide_sample solid . . 1 $M2_Transmembrane_Peptide_conditions . . . . . . . . . c16020_2kad 1 3 2D_DARR no . . 1 $M2_Transmembrane_Peptide_sample solid . . 1 $M2_Transmembrane_Peptide_conditions . . . . . . . . . c16020_2kad 1 4 2D_INADEQUATE no . . 1 $M2_Transmembrane_Peptide_sample solid . . 1 $M2_Transmembrane_Peptide_conditions . . . . . . . . . c16020_2kad 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c16020_2kad _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . c16020_2kad 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . c16020_2kad 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c16020_2kad _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $M2_Transmembrane_Peptide_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D_13C-13C_DQF_COSY . . . c16020_2kad 1 2 2D_15N-13C_HETCOR . . . c16020_2kad 1 3 2D_DARR . . . c16020_2kad 1 4 2D_INADEQUATE . . . c16020_2kad 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Topspin . . c16020_2kad 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 LEU C C 13 178.0 1.0 . 1 . . . 1 LEU C . c16020_2kad 1 2 . 1 1 5 5 LEU CA C 13 57.4 0.7 . 1 . . . 1 LEU CA . c16020_2kad 1 3 . 1 1 5 5 LEU CB C 13 41.1 0.9 . 1 . . . 1 LEU CB . c16020_2kad 1 4 . 1 1 5 5 LEU CD1 C 13 25.0 1.1 . 2 . . . 1 LEU CD1 . c16020_2kad 1 5 . 1 1 5 5 LEU CD2 C 13 22.6 0.9 . 2 . . . 1 LEU CD2 . c16020_2kad 1 6 . 1 1 5 5 LEU CG C 13 26.9 0.8 . 1 . . . 1 LEU CG . c16020_2kad 1 7 . 1 1 5 5 LEU N N 15 117.5 2.8 . 1 . . . 1 LEU N . c16020_2kad 1 8 . 1 1 6 6 VAL C C 13 179.8 1.1 . 1 . . . 2 VAL C . c16020_2kad 1 9 . 1 1 6 6 VAL CA C 13 65.6 0.9 . 1 . . . 2 VAL CA . c16020_2kad 1 10 . 1 1 6 6 VAL CB C 13 31.7 0.6 . 1 . . . 2 VAL CB . c16020_2kad 1 11 . 1 1 6 6 VAL CG1 C 13 22.5 0.7 . 2 . . . 2 VAL CG1 . c16020_2kad 1 12 . 1 1 6 6 VAL CG2 C 13 21.2 0.7 . 2 . . . 2 VAL CG2 . c16020_2kad 1 13 . 1 1 6 6 VAL N N 15 119.9 1.6 . 1 . . . 2 VAL N . c16020_2kad 1 14 . 1 1 7 7 VAL C C 13 178.7 0.9 . 1 . . . 3 VAL C . c16020_2kad 1 15 . 1 1 7 7 VAL CA C 13 67.1 0.6 . 1 . . . 3 VAL CA . c16020_2kad 1 16 . 1 1 7 7 VAL CB C 13 31.4 0.5 . 1 . . . 3 VAL CB . c16020_2kad 1 17 . 1 1 7 7 VAL CG1 C 13 22.5 0.7 . 2 . . . 3 VAL CG1 . c16020_2kad 1 18 . 1 1 7 7 VAL CG2 C 13 20.7 0.8 . 2 . . . 3 VAL CG2 . c16020_2kad 1 19 . 1 1 7 7 VAL N N 15 125.9 1.0 . 1 . . . 3 VAL N . c16020_2kad 1 20 . 1 1 8 8 ALA C C 13 178.5 0.6 . 1 . . . 4 ALA C . c16020_2kad 1 21 . 1 1 8 8 ALA CA C 13 55.2 0.5 . 1 . . . 4 ALA CA . c16020_2kad 1 22 . 1 1 8 8 ALA CB C 13 18.0 0.8 . 1 . . . 4 ALA CB . c16020_2kad 1 23 . 1 1 8 8 ALA N N 15 121.7 1.6 . 1 . . . 4 ALA N . c16020_2kad 1 24 . 1 1 9 9 ALA C C 13 179.2 1.2 . 1 . . . 5 ALA C . c16020_2kad 1 25 . 1 1 9 9 ALA CA C 13 54.5 0.5 . 1 . . . 5 ALA CA . c16020_2kad 1 26 . 1 1 9 9 ALA CB C 13 18.7 0.5 . 1 . . . 5 ALA CB . c16020_2kad 1 27 . 1 1 9 9 ALA N N 15 118.7 1.2 . 1 . . . 5 ALA N . c16020_2kad 1 28 . 1 1 10 10 SER C C 13 174.8 0.7 . 1 . . . 6 SER C . c16020_2kad 1 29 . 1 1 10 10 SER CA C 13 63.0 0.5 . 1 . . . 6 SER CA . c16020_2kad 1 30 . 1 1 10 10 SER CB C 13 61.5 0.8 . 1 . . . 6 SER CB . c16020_2kad 1 31 . 1 1 10 10 SER N N 15 121.4 1.0 . 1 . . . 6 SER N . c16020_2kad 1 32 . 1 1 12 12 ILE C C 13 177.7 1.0 . 1 . . . 8 ILE C . c16020_2kad 1 33 . 1 1 12 12 ILE CA C 13 64.9 1.0 . 1 . . . 8 ILE CA . c16020_2kad 1 34 . 1 1 12 12 ILE CB C 13 37.1 0.8 . 1 . . . 8 ILE CB . c16020_2kad 1 35 . 1 1 12 12 ILE CD1 C 13 13.7 0.9 . 1 . . . 8 ILE CD1 . c16020_2kad 1 36 . 1 1 12 12 ILE CG1 C 13 30.0 1.2 . 1 . . . 8 ILE CG1 . c16020_2kad 1 37 . 1 1 12 12 ILE CG2 C 13 17.7 1.0 . 1 . . . 8 ILE CG2 . c16020_2kad 1 38 . 1 1 12 12 ILE N N 15 119.4 1.3 . 1 . . . 8 ILE N . c16020_2kad 1 39 . 1 1 13 13 GLY C C 13 176.7 0.9 . 1 . . . 9 GLY C . c16020_2kad 1 40 . 1 1 13 13 GLY CA C 13 46.7 0.7 . 1 . . . 9 GLY CA . c16020_2kad 1 41 . 1 1 13 13 GLY N N 15 109.7 1.9 . 1 . . . 9 GLY N . c16020_2kad 1 42 . 1 1 14 14 ILE C C 13 177.1 0.7 . 1 . . . 10 ILE C . c16020_2kad 1 43 . 1 1 14 14 ILE CA C 13 65.5 0.9 . 1 . . . 10 ILE CA . c16020_2kad 1 44 . 1 1 14 14 ILE CB C 13 37.5 0.9 . 1 . . . 10 ILE CB . c16020_2kad 1 45 . 1 1 14 14 ILE CD1 C 13 13.3 0.6 . 1 . . . 10 ILE CD1 . c16020_2kad 1 46 . 1 1 14 14 ILE CG1 C 13 29.0 0.5 . 1 . . . 10 ILE CG1 . c16020_2kad 1 47 . 1 1 14 14 ILE CG2 C 13 17.3 0.7 . 1 . . . 10 ILE CG2 . c16020_2kad 1 48 . 1 1 14 14 ILE N N 15 124.6 2.0 . 1 . . . 10 ILE N . c16020_2kad 1 49 . 1 1 15 15 LEU C C 13 177.0 0.7 . 1 . . . 11 LEU C . c16020_2kad 1 50 . 1 1 15 15 LEU CA C 13 57.5 0.5 . 1 . . . 11 LEU CA . c16020_2kad 1 51 . 1 1 15 15 LEU CB C 13 41.2 0.6 . 1 . . . 11 LEU CB . c16020_2kad 1 52 . 1 1 15 15 LEU CD1 C 13 25.5 0.8 . 2 . . . 11 LEU CD1 . c16020_2kad 1 53 . 1 1 15 15 LEU CD2 C 13 22.9 0.7 . 2 . . . 11 LEU CD2 . c16020_2kad 1 54 . 1 1 15 15 LEU CG C 13 26.4 0.5 . 1 . . . 11 LEU CG . c16020_2kad 1 55 . 1 1 15 15 LEU N N 15 119.6 1.0 . 1 . . . 11 LEU N . c16020_2kad 1 56 . 1 1 17 17 LEU C C 13 177.5 0.9 . 1 . . . 13 LEU C . c16020_2kad 1 57 . 1 1 17 17 LEU CA C 13 57.7 0.6 . 1 . . . 13 LEU CA . c16020_2kad 1 58 . 1 1 17 17 LEU CB C 13 41.3 0.9 . 1 . . . 13 LEU CB . c16020_2kad 1 59 . 1 1 17 17 LEU CD1 C 13 25.6 1.1 . 2 . . . 13 LEU CD1 . c16020_2kad 1 60 . 1 1 17 17 LEU CD2 C 13 22.7 0.7 . 2 . . . 13 LEU CD2 . c16020_2kad 1 61 . 1 1 17 17 LEU CG C 13 26.6 1.0 . 1 . . . 13 LEU CG . c16020_2kad 1 62 . 1 1 17 17 LEU N N 15 117.1 1.2 . 1 . . . 13 LEU N . c16020_2kad 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c16020_2kad _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 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c16020_2kad _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 . . . c16020_2kad 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 . . . . c16020_2kad 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 SER C C -9.519 10.611 -21.204 . . . 1.0 . . . . . . . . . . . . A . 22 SER C . . . . . . . . . c16020_2kad 1 . 1 . 2 . 1 1 1 SER CA C -10.694 11.455 -21.688 . . . 1.0 . . . . . . . . . . . . A . 22 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 3 . 1 1 1 SER CB C -10.219 12.858 -22.189 . . . 1.0 . . . . . . . . . . . . A . 22 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 4 . 1 1 1 SER H1 H -11.413 11.319 -19.726 . . . 1.0 . . . . . . . . . . . . A . 22 SER H1 . . . . . . . . . c16020_2kad 1 . 1 . 5 . 1 1 1 SER H2 H -12.028 12.630 -20.580 . . . 1.0 . . . . . . . . . . . . A . 22 SER H2 . . . . . . . . . c16020_2kad 1 . 1 . 6 . 1 1 1 SER HA H -11.056 10.964 -22.592 . . . 1.0 . . . . . . . . . . . . A . 22 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 7 . 1 1 1 SER HB2 H -10.085 13.545 -21.353 . . . 1.0 . . . . . . . . . . . . A . 22 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 8 . 1 1 1 SER HB3 H -9.270 12.782 -22.717 . . . 1.0 . . . . . . . . . . . . A . 22 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 9 . 1 1 1 SER HG H -10.810 14.318 -23.457 . . . 1.0 . . . . . . . . . . . . A . 22 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 10 . 1 1 1 SER N N -11.768 11.634 -20.639 . . . 1.0 . . . . . . . . . . . . A . 22 SER N . . . . . . . . . c16020_2kad 1 . 1 . 11 . 1 1 1 SER O O -9.501 10.085 -20.094 . . . 1.0 . . . . . . . . . . . . A . 22 SER O . . . . . . . . . c16020_2kad 1 . 1 . 12 . 1 1 1 SER OG O -11.176 13.431 -23.082 . . . 1.0 . . . . . . . . . . . . A . 22 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 13 . 1 1 2 SER C C -6.521 10.031 -20.505 . . . 1.0 . . . . . . . . . . . . A . 23 SER C . . . . . . . . . c16020_2kad 1 . 1 . 14 . 1 1 2 SER CA C -7.355 9.541 -21.686 . . . 1.0 . . . . . . . . . . . . A . 23 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 15 . 1 1 2 SER CB C -6.424 9.287 -22.894 . . . 1.0 . . . . . . . . . . . . A . 23 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 16 . 1 1 2 SER H H -8.451 10.923 -22.939 . . . 1.0 . . . . . . . . . . . . A . 23 SER H . . . . . . . . . c16020_2kad 1 . 1 . 17 . 1 1 2 SER HA H -7.764 8.565 -21.422 . . . 1.0 . . . . . . . . . . . . A . 23 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 18 . 1 1 2 SER HB2 H -6.093 10.233 -23.327 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 19 . 1 1 2 SER HB3 H -5.543 8.725 -22.585 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 20 . 1 1 2 SER HG H -7.617 9.187 -24.519 . . . 1.0 . . . . . . . . . . . . A . 23 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 21 . 1 1 2 SER N N -8.468 10.428 -22.037 . . . 1.0 . . . . . . . . . . . . A . 23 SER N . . . . . . . . . c16020_2kad 1 . 1 . 22 . 1 1 2 SER O O -5.914 9.248 -19.786 . . . 1.0 . . . . . . . . . . . . A . 23 SER O . . . . . . . . . c16020_2kad 1 . 1 . 23 . 1 1 2 SER OG O -7.105 8.542 -23.902 . . . 1.0 . . . . . . . . . . . . A . 23 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 24 . 1 1 3 ASP C C -6.791 11.916 -17.868 . . . 1.0 . . . . . . . . . . . . A . 24 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 25 . 1 1 3 ASP CA C -5.883 11.995 -19.133 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 26 . 1 1 3 ASP CB C -5.389 13.402 -19.576 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 27 . 1 1 3 ASP CG C -4.770 14.195 -18.446 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 28 . 1 1 3 ASP H H -6.989 11.969 -20.949 . . . 1.0 . . . . . . . . . . . . A . 24 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 29 . 1 1 3 ASP HA H -4.934 11.515 -18.891 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 30 . 1 1 3 ASP HB2 H -4.631 13.361 -20.359 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 31 . 1 1 3 ASP HB3 H -6.190 14.028 -19.973 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 32 . 1 1 3 ASP HD2 H -3.114 14.445 -17.426 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 33 . 1 1 3 ASP N N -6.511 11.362 -20.269 . . . 1.0 . . . . . . . . . . . . A . 24 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 34 . 1 1 3 ASP O O -6.311 11.420 -16.843 . . . 1.0 . . . . . . . . . . . . A . 24 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 35 . 1 1 3 ASP OD1 O -5.324 15.089 -17.834 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 36 . 1 1 3 ASP OD2 O -3.483 13.848 -18.180 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 37 . 1 1 4 PRO C C -9.164 10.732 -16.147 . . . 1.0 . . . . . . . . . . . . A . 25 PRO C . . . . . . . . . c16020_2kad 1 . 1 . 38 . 1 1 4 PRO CA C -8.921 12.152 -16.643 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CA . . . . . . . . . c16020_2kad 1 . 1 . 39 . 1 1 4 PRO CB C -10.246 12.773 -17.112 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CB . . . . . . . . . c16020_2kad 1 . 1 . 40 . 1 1 4 PRO CD C -8.572 13.422 -18.667 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CD . . . . . . . . . c16020_2kad 1 . 1 . 41 . 1 1 4 PRO CG C -9.792 13.974 -17.940 . . . 1.0 . . . . . . . . . . . . A . 25 PRO CG . . . . . . . . . c16020_2kad 1 . 1 . 42 . 1 1 4 PRO HA H -8.451 12.691 -15.821 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HA . . . . . . . . . c16020_2kad 1 . 1 . 43 . 1 1 4 PRO HB2 H -10.824 12.066 -17.706 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HB2 . . . . . . . . . c16020_2kad 1 . 1 . 44 . 1 1 4 PRO HB3 H -10.860 13.076 -16.264 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HB3 . . . . . . . . . c16020_2kad 1 . 1 . 45 . 1 1 4 PRO HD2 H -8.819 12.970 -19.627 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HD2 . . . . . . . . . c16020_2kad 1 . 1 . 46 . 1 1 4 PRO HD3 H -7.755 14.141 -18.732 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HD3 . . . . . . . . . c16020_2kad 1 . 1 . 47 . 1 1 4 PRO HG2 H -10.571 14.296 -18.630 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HG2 . . . . . . . . . c16020_2kad 1 . 1 . 48 . 1 1 4 PRO HG3 H -9.545 14.822 -17.303 . . . 1.0 . . . . . . . . . . . . A . 25 PRO HG3 . . . . . . . . . c16020_2kad 1 . 1 . 49 . 1 1 4 PRO N N -8.069 12.324 -17.826 . . . 1.0 . . . . . . . . . . . . A . 25 PRO N . . . . . . . . . c16020_2kad 1 . 1 . 50 . 1 1 4 PRO O O -9.303 10.540 -14.940 . . . 1.0 . . . . . . . . . . . . A . 25 PRO O . . . . . . . . . c16020_2kad 1 . 1 . 51 . 1 1 5 LEU C C -8.255 7.800 -15.775 . . . 1.0 . . . . . . . . . . . . A . 26 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 52 . 1 1 5 LEU CA C -9.401 8.329 -16.635 . . . 1.0 . . . . . . . . . . . . A . 26 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 53 . 1 1 5 LEU CB C -9.598 7.386 -17.851 . . . 1.0 . . . . . . . . . . . . A . 26 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 54 . 1 1 5 LEU CD1 C -10.888 6.770 -19.918 . . . 1.0 . . . . . . . . . . . . A . 26 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 55 . 1 1 5 LEU CD2 C -12.155 7.435 -17.850 . . . 1.0 . . . . . . . . . . . . A . 26 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 56 . 1 1 5 LEU CG C -10.877 7.655 -18.667 . . . 1.0 . . . . . . . . . . . . A . 26 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 57 . 1 1 5 LEU H H -9.089 9.934 -18.039 . . . 1.0 . . . . . . . . . . . . A . 26 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 58 . 1 1 5 LEU HA H -10.310 8.188 -16.048 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 59 . 1 1 5 LEU HB2 H -8.747 7.512 -18.522 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 60 . 1 1 5 LEU HB3 H -9.650 6.362 -17.485 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 61 . 1 1 5 LEU HD11 H -11.794 6.964 -20.493 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 62 . 1 1 5 LEU HD12 H -10.015 6.995 -20.532 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 63 . 1 1 5 LEU HD13 H -10.862 5.721 -19.624 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 64 . 1 1 5 LEU HD21 H -12.159 8.108 -16.993 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 65 . 1 1 5 LEU HD22 H -13.024 7.639 -18.475 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 66 . 1 1 5 LEU HD23 H -12.191 6.403 -17.502 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 67 . 1 1 5 LEU HG H -10.908 8.702 -18.968 . . . 1.0 . . . . . . . . . . . . A . 26 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 68 . 1 1 5 LEU N N -9.203 9.719 -17.038 . . . 1.0 . . . . . . . . . . . . A . 26 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 69 . 1 1 5 LEU O O -8.466 7.066 -14.811 . . . 1.0 . . . . . . . . . . . . A . 26 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 70 . 1 1 6 VAL C C -5.825 8.251 -13.881 . . . 1.0 . . . . . . . . . . . . A . 27 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 71 . 1 1 6 VAL CA C -5.817 7.739 -15.327 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 72 . 1 1 6 VAL CB C -4.502 8.012 -16.079 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 73 . 1 1 6 VAL CG1 C -3.251 8.005 -15.172 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 74 . 1 1 6 VAL CG2 C -4.338 7.026 -17.253 . . . 1.0 . . . . . . . . . . . . A . 27 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 75 . 1 1 6 VAL H H -6.851 8.793 -16.900 . . . 1.0 . . . . . . . . . . . . A . 27 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 76 . 1 1 6 VAL HA H -5.735 6.654 -15.263 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 77 . 1 1 6 VAL HB H -4.476 8.978 -16.583 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 78 . 1 1 6 VAL HG11 H -2.366 8.205 -15.774 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 79 . 1 1 6 VAL HG12 H -3.353 8.776 -14.409 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 80 . 1 1 6 VAL HG13 H -3.154 7.031 -14.696 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 81 . 1 1 6 VAL HG21 H -5.174 7.142 -17.945 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 82 . 1 1 6 VAL HG22 H -3.404 7.232 -17.775 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 83 . 1 1 6 VAL HG23 H -4.324 6.005 -16.872 . . . 1.0 . . . . . . . . . . . . A . 27 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 84 . 1 1 6 VAL N N -6.992 8.174 -16.089 . . . 1.0 . . . . . . . . . . . . A . 27 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 85 . 1 1 6 VAL O O -5.544 7.526 -12.921 . . . 1.0 . . . . . . . . . . . . A . 27 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 86 . 1 1 7 VAL C C -7.637 9.472 -11.627 . . . 1.0 . . . . . . . . . . . . A . 28 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 87 . 1 1 7 VAL CA C -6.490 10.142 -12.391 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 88 . 1 1 7 VAL CB C -6.683 11.651 -12.544 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 89 . 1 1 7 VAL CG1 C -7.398 12.282 -11.333 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 90 . 1 1 7 VAL CG2 C -5.285 12.287 -12.706 . . . 1.0 . . . . . . . . . . . . A . 28 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 91 . 1 1 7 VAL H H -6.428 10.095 -14.524 . . . 1.0 . . . . . . . . . . . . A . 28 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 92 . 1 1 7 VAL HA H -5.614 10.088 -11.743 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 93 . 1 1 7 VAL HB H -7.281 11.910 -13.418 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 94 . 1 1 7 VAL HG11 H -7.509 13.355 -11.495 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 95 . 1 1 7 VAL HG12 H -8.381 11.829 -11.213 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 96 . 1 1 7 VAL HG13 H -6.807 12.110 -10.433 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 97 . 1 1 7 VAL HG21 H -4.797 11.875 -13.589 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 98 . 1 1 7 VAL HG22 H -5.386 13.366 -12.818 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 99 . 1 1 7 VAL HG23 H -4.681 12.069 -11.824 . . . 1.0 . . . . . . . . . . . . A . 28 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 100 . 1 1 7 VAL N N -6.254 9.521 -13.687 . . . 1.0 . . . . . . . . . . . . A . 28 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 101 . 1 1 7 VAL O O -7.522 9.210 -10.431 . . . 1.0 . . . . . . . . . . . . A . 28 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 102 . 1 1 8 ALA C C -9.519 7.035 -11.151 . . . 1.0 . . . . . . . . . . . . A . 29 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 103 . 1 1 8 ALA CA C -9.868 8.412 -11.713 . . . 1.0 . . . . . . . . . . . . A . 29 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 104 . 1 1 8 ALA CB C -11.010 8.277 -12.742 . . . 1.0 . . . . . . . . . . . . A . 29 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 105 . 1 1 8 ALA H H -8.806 9.369 -13.309 . . . 1.0 . . . . . . . . . . . . A . 29 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 106 . 1 1 8 ALA HA H -10.255 9.014 -10.892 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 107 . 1 1 8 ALA HB1 H -10.653 7.722 -13.611 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 108 . 1 1 8 ALA HB2 H -11.847 7.744 -12.290 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 109 . 1 1 8 ALA HB3 H -11.336 9.268 -13.056 . . . 1.0 . . . . . . . . . . . . A . 29 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 110 . 1 1 8 ALA N N -8.750 9.121 -12.311 . . . 1.0 . . . . . . . . . . . . A . 29 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 111 . 1 1 8 ALA O O -9.993 6.658 -10.079 . . . 1.0 . . . . . . . . . . . . A . 29 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 112 . 1 1 9 ALA C C -7.232 5.110 -10.167 . . . 1.0 . . . . . . . . . . . . A . 30 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 113 . 1 1 9 ALA CA C -8.147 4.990 -11.385 . . . 1.0 . . . . . . . . . . . . A . 30 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 114 . 1 1 9 ALA CB C -7.460 4.314 -12.584 . . . 1.0 . . . . . . . . . . . . A . 30 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 115 . 1 1 9 ALA H H -8.297 6.635 -12.735 . . . 1.0 . . . . . . . . . . . . A . 30 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 116 . 1 1 9 ALA HA H -9.025 4.391 -11.079 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 117 . 1 1 9 ALA HB1 H -7.097 3.300 -12.333 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 118 . 1 1 9 ALA HB2 H -8.148 4.200 -13.443 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 119 . 1 1 9 ALA HB3 H -6.586 4.892 -12.944 . . . 1.0 . . . . . . . . . . . . A . 30 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 120 . 1 1 9 ALA N N -8.642 6.276 -11.833 . . . 1.0 . . . . . . . . . . . . A . 30 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 121 . 1 1 9 ALA O O -7.266 4.281 -9.254 . . . 1.0 . . . . . . . . . . . . A . 30 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 122 . 1 1 10 SER C C -6.327 6.831 -7.704 . . . 1.0 . . . . . . . . . . . . A . 31 SER C . . . . . . . . . c16020_2kad 1 . 1 . 123 . 1 1 10 SER CA C -5.562 6.505 -8.988 . . . 1.0 . . . . . . . . . . . . A . 31 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 124 . 1 1 10 SER CB C -4.598 7.675 -9.301 . . . 1.0 . . . . . . . . . . . . A . 31 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 125 . 1 1 10 SER H H -6.427 6.832 -10.918 . . . 1.0 . . . . . . . . . . . . A . 31 SER H . . . . . . . . . c16020_2kad 1 . 1 . 126 . 1 1 10 SER HA H -4.884 5.693 -8.722 . . . 1.0 . . . . . . . . . . . . A . 31 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 127 . 1 1 10 SER HB2 H -5.150 8.602 -9.458 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 128 . 1 1 10 SER HB3 H -3.899 7.833 -8.480 . . . 1.0 . . . . . . . . . . . . A . 31 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 129 . 1 1 10 SER HG H -4.240 6.597 -10.977 . . . 1.0 . . . . . . . . . . . . A . 31 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 130 . 1 1 10 SER N N -6.427 6.190 -10.112 . . . 1.0 . . . . . . . . . . . . A . 31 SER N . . . . . . . . . c16020_2kad 1 . 1 . 131 . 1 1 10 SER O O -5.971 6.380 -6.619 . . . 1.0 . . . . . . . . . . . . A . 31 SER O . . . . . . . . . c16020_2kad 1 . 1 . 132 . 1 1 10 SER OG O -3.839 7.408 -10.486 . . . 1.0 . . . . . . . . . . . . A . 31 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 133 . 1 1 11 ILE C C -8.966 6.679 -6.053 . . . 1.0 . . . . . . . . . . . . A . 32 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 134 . 1 1 11 ILE CA C -8.334 7.926 -6.690 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 135 . 1 1 11 ILE CB C -9.393 8.921 -7.165 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 136 . 1 1 11 ILE CD1 C -9.601 11.181 -8.417 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 137 . 1 1 11 ILE CG1 C -8.720 10.263 -7.558 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 138 . 1 1 11 ILE CG2 C -10.494 9.149 -6.104 . . . 1.0 . . . . . . . . . . . . A . 32 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 139 . 1 1 11 ILE H H -7.692 7.941 -8.745 . . . 1.0 . . . . . . . . . . . . A . 32 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 140 . 1 1 11 ILE HA H -7.804 8.450 -5.895 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 141 . 1 1 11 ILE HB H -9.894 8.586 -8.073 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 142 . 1 1 11 ILE HD11 H -10.511 11.427 -7.870 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 143 . 1 1 11 ILE HD12 H -9.056 12.096 -8.647 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 144 . 1 1 11 ILE HD13 H -9.863 10.670 -9.344 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 145 . 1 1 11 ILE HG12 H -8.472 10.802 -6.644 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 146 . 1 1 11 ILE HG13 H -7.819 10.039 -8.128 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 147 . 1 1 11 ILE HG21 H -11.224 9.864 -6.485 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 148 . 1 1 11 ILE HG22 H -10.993 8.203 -5.888 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 149 . 1 1 11 ILE HG23 H -10.046 9.540 -5.191 . . . 1.0 . . . . . . . . . . . . A . 32 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 150 . 1 1 11 ILE N N -7.444 7.582 -7.813 . . . 1.0 . . . . . . . . . . . . A . 32 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 151 . 1 1 11 ILE O O -9.057 6.547 -4.835 . . . 1.0 . . . . . . . . . . . . A . 32 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 152 . 1 1 12 ILE C C -8.885 3.649 -5.620 . . . 1.0 . . . . . . . . . . . . A . 33 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 153 . 1 1 12 ILE CA C -9.906 4.454 -6.445 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 154 . 1 1 12 ILE CB C -10.532 3.611 -7.565 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 155 . 1 1 12 ILE CD1 C -12.546 3.525 -9.160 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 156 . 1 1 12 ILE CG1 C -11.975 4.095 -7.859 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 157 . 1 1 12 ILE CG2 C -10.567 2.113 -7.172 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 158 . 1 1 12 ILE H H -9.285 5.914 -7.946 . . . 1.0 . . . . . . . . . . . . A . 33 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 159 . 1 1 12 ILE HA H -10.776 4.583 -5.801 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 160 . 1 1 12 ILE HB H -9.960 3.707 -8.487 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 161 . 1 1 12 ILE HD11 H -12.570 2.436 -9.102 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 162 . 1 1 12 ILE HD12 H -13.559 3.902 -9.309 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 163 . 1 1 12 ILE HD13 H -11.919 3.831 -9.997 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 164 . 1 1 12 ILE HG12 H -12.686 3.817 -7.080 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 165 . 1 1 12 ILE HG13 H -12.051 5.177 -7.954 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 166 . 1 1 12 ILE HG21 H -11.014 1.535 -7.980 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 167 . 1 1 12 ILE HG22 H -9.551 1.761 -6.992 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 168 . 1 1 12 ILE HG23 H -11.159 1.989 -6.265 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 169 . 1 1 12 ILE N N -9.362 5.738 -6.934 . . . 1.0 . . . . . . . . . . . . A . 33 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 170 . 1 1 12 ILE O O -9.195 3.124 -4.547 . . . 1.0 . . . . . . . . . . . . A . 33 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 171 . 1 1 13 GLY C C -6.229 3.524 -3.982 . . . 1.0 . . . . . . . . . . . . A . 34 GLY C . . . . . . . . . c16020_2kad 1 . 1 . 172 . 1 1 13 GLY CA C -6.510 2.958 -5.359 . . . 1.0 . . . . . . . . . . . . A . 34 GLY CA . . . . . . . . . c16020_2kad 1 . 1 . 173 . 1 1 13 GLY H H -7.413 4.035 -6.991 . . . 1.0 . . . . . . . . . . . . A . 34 GLY H . . . . . . . . . c16020_2kad 1 . 1 . 174 . 1 1 13 GLY HA2 H -6.751 1.903 -5.234 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA2 . . . . . . . . . c16020_2kad 1 . 1 . 175 . 1 1 13 GLY HA3 H -5.603 3.080 -5.952 . . . 1.0 . . . . . . . . . . . . A . 34 GLY HA3 . . . . . . . . . c16020_2kad 1 . 1 . 176 . 1 1 13 GLY N N -7.616 3.599 -6.080 . . . 1.0 . . . . . . . . . . . . A . 34 GLY N . . . . . . . . . c16020_2kad 1 . 1 . 177 . 1 1 13 GLY O O -5.956 2.794 -3.035 . . . 1.0 . . . . . . . . . . . . A . 34 GLY O . . . . . . . . . c16020_2kad 1 . 1 . 178 . 1 1 14 ILE C C -7.301 5.223 -1.582 . . . 1.0 . . . . . . . . . . . . A . 35 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 179 . 1 1 14 ILE CA C -6.169 5.541 -2.560 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 180 . 1 1 14 ILE CB C -5.999 7.056 -2.761 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 181 . 1 1 14 ILE CD1 C -3.385 6.962 -2.631 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 182 . 1 1 14 ILE CG1 C -4.631 7.394 -3.419 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 183 . 1 1 14 ILE CG2 C -6.200 7.873 -1.467 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 184 . 1 1 14 ILE H H -6.518 5.432 -4.678 . . . 1.0 . . . . . . . . . . . . A . 35 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 185 . 1 1 14 ILE HA H -5.244 5.271 -2.050 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 186 . 1 1 14 ILE HB H -6.702 7.478 -3.480 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 187 . 1 1 14 ILE HD11 H -3.399 5.880 -2.496 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 188 . 1 1 14 ILE HD12 H -2.490 7.247 -3.182 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 189 . 1 1 14 ILE HD13 H -3.384 7.450 -1.656 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 190 . 1 1 14 ILE HG12 H -4.590 6.892 -4.386 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 191 . 1 1 14 ILE HG13 H -4.575 8.476 -3.538 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 192 . 1 1 14 ILE HG21 H -6.066 8.933 -1.682 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 193 . 1 1 14 ILE HG22 H -7.207 7.705 -1.085 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 194 . 1 1 14 ILE HG23 H -5.472 7.558 -0.722 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 195 . 1 1 14 ILE N N -6.325 4.862 -3.841 . . . 1.0 . . . . . . . . . . . . A . 35 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 196 . 1 1 14 ILE O O -7.059 4.926 -0.419 . . . 1.0 . . . . . . . . . . . . A . 35 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 197 . 1 1 15 LEU C C -9.669 3.407 -0.726 . . . 1.0 . . . . . . . . . . . . A . 36 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 198 . 1 1 15 LEU CA C -9.735 4.838 -1.235 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 199 . 1 1 15 LEU CB C -11.057 5.012 -2.028 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 200 . 1 1 15 LEU CD1 C -12.634 6.529 -3.316 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 201 . 1 1 15 LEU CD2 C -11.606 7.332 -1.153 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 202 . 1 1 15 LEU CG C -11.397 6.468 -2.407 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 203 . 1 1 15 LEU H H -8.735 5.487 -3.024 . . . 1.0 . . . . . . . . . . . . A . 36 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 204 . 1 1 15 LEU HA H -9.858 5.458 -0.348 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 205 . 1 1 15 LEU HB2 H -10.974 4.444 -2.954 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 206 . 1 1 15 LEU HB3 H -11.875 4.635 -1.414 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 207 . 1 1 15 LEU HD11 H -12.850 7.567 -3.567 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 208 . 1 1 15 LEU HD12 H -12.442 5.967 -4.229 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 209 . 1 1 15 LEU HD13 H -13.488 6.096 -2.795 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 210 . 1 1 15 LEU HD21 H -10.694 7.330 -0.554 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 211 . 1 1 15 LEU HD22 H -11.844 8.353 -1.449 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 212 . 1 1 15 LEU HD23 H -12.426 6.925 -0.563 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 213 . 1 1 15 LEU HG H -10.570 6.940 -2.941 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 214 . 1 1 15 LEU N N -8.574 5.214 -2.044 . . . 1.0 . . . . . . . . . . . . A . 36 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 215 . 1 1 15 LEU O O -9.976 3.146 0.433 . . . 1.0 . . . . . . . . . . . . A . 36 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 216 . 1 1 16 HIS C C -7.946 0.881 -0.130 . . . 1.0 . . . . . . . . . . . . A . 37 HIS C . . . . . . . . . c16020_2kad 1 . 1 . 217 . 1 1 16 HIS CA C -9.028 1.060 -1.203 . . . 1.0 . . . . . . . . . . . . A . 37 HIS CA . . . . . . . . . c16020_2kad 1 . 1 . 218 . 1 1 16 HIS CB C -8.677 0.194 -2.432 . . . 1.0 . . . . . . . . . . . . A . 37 HIS CB . . . . . . . . . c16020_2kad 1 . 1 . 219 . 1 1 16 HIS CD2 C -8.834 -1.992 -1.013 . . . 1.0 . . . . . . . . . . . . A . 37 HIS CD2 . . . . . . . . . c16020_2kad 1 . 1 . 220 . 1 1 16 HIS CE1 C -7.844 -3.263 -2.498 . . . 1.0 . . . . . . . . . . . . A . 37 HIS CE1 . . . . . . . . . c16020_2kad 1 . 1 . 221 . 1 1 16 HIS CG C -8.521 -1.266 -2.116 . . . 1.0 . . . . . . . . . . . . A . 37 HIS CG . . . . . . . . . c16020_2kad 1 . 1 . 222 . 1 1 16 HIS H H -9.045 2.729 -2.560 . . . 1.0 . . . . . . . . . . . . A . 37 HIS H . . . . . . . . . c16020_2kad 1 . 1 . 223 . 1 1 16 HIS HA H -9.922 0.586 -0.793 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HA . . . . . . . . . c16020_2kad 1 . 1 . 224 . 1 1 16 HIS HB2 H -9.427 0.232 -3.223 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HB2 . . . . . . . . . c16020_2kad 1 . 1 . 225 . 1 1 16 HIS HB3 H -7.744 0.480 -2.915 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HB3 . . . . . . . . . c16020_2kad 1 . 1 . 226 . 1 1 16 HIS HD2 H -9.333 -1.634 -0.114 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HD2 . . . . . . . . . c16020_2kad 1 . 1 . 227 . 1 1 16 HIS HE1 H -7.401 -4.136 -2.978 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HE1 . . . . . . . . . c16020_2kad 1 . 1 . 228 . 1 1 16 HIS HE2 H -8.464 -4.084 -0.628 . . . 1.0 . . . . . . . . . . . . A . 37 HIS HE2 . . . . . . . . . c16020_2kad 1 . 1 . 229 . 1 1 16 HIS N N -9.238 2.456 -1.585 . . . 1.0 . . . . . . . . . . . . A . 37 HIS N . . . . . . . . . c16020_2kad 1 . 1 . 230 . 1 1 16 HIS ND1 N -7.910 -2.072 -3.051 . . . 1.0 . . . . . . . . . . . . A . 37 HIS ND1 . . . . . . . . . c16020_2kad 1 . 1 . 231 . 1 1 16 HIS NE2 N -8.392 -3.274 -1.260 . . . 1.0 . . . . . . . . . . . . A . 37 HIS NE2 . . . . . . . . . c16020_2kad 1 . 1 . 232 . 1 1 16 HIS O O -8.115 0.142 0.838 . . . 1.0 . . . . . . . . . . . . A . 37 HIS O . . . . . . . . . c16020_2kad 1 . 1 . 233 . 1 1 17 LEU C C -6.148 2.191 2.084 . . . 1.0 . . . . . . . . . . . . A . 38 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 234 . 1 1 17 LEU CA C -5.744 1.602 0.735 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 235 . 1 1 17 LEU CB C -4.511 2.362 0.180 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 236 . 1 1 17 LEU CD1 C -3.276 2.806 -2.041 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 237 . 1 1 17 LEU CD2 C -2.644 0.849 -0.588 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 238 . 1 1 17 LEU CG C -3.805 1.749 -1.049 . . . 1.0 . . . . . . . . . . . . A . 38 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 239 . 1 1 17 LEU H H -6.701 2.206 -1.088 . . . 1.0 . . . . . . . . . . . . A . 38 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 240 . 1 1 17 LEU HA H -5.370 0.603 0.964 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 241 . 1 1 17 LEU HB2 H -4.841 3.359 -0.112 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 242 . 1 1 17 LEU HB3 H -3.768 2.411 0.977 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 243 . 1 1 17 LEU HD11 H -2.792 2.307 -2.881 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 244 . 1 1 17 LEU HD12 H -4.107 3.409 -2.407 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 245 . 1 1 17 LEU HD13 H -2.554 3.449 -1.537 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 246 . 1 1 17 LEU HD21 H -3.032 0.047 0.040 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 247 . 1 1 17 LEU HD22 H -2.149 0.418 -1.460 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 248 . 1 1 17 LEU HD23 H -1.926 1.441 -0.021 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 249 . 1 1 17 LEU HG H -4.451 1.098 -1.638 . . . 1.0 . . . . . . . . . . . . A . 38 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 250 . 1 1 17 LEU N N -6.811 1.613 -0.255 . . . 1.0 . . . . . . . . . . . . A . 38 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 251 . 1 1 17 LEU O O -5.799 1.658 3.135 . . . 1.0 . . . . . . . . . . . . A . 38 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 252 . 1 1 18 ILE C C -8.355 2.955 4.091 . . . 1.0 . . . . . . . . . . . . A . 39 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 253 . 1 1 18 ILE CA C -7.485 3.921 3.278 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 254 . 1 1 18 ILE CB C -8.256 5.188 2.890 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 255 . 1 1 18 ILE CD1 C -7.956 7.394 1.597 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 256 . 1 1 18 ILE CG1 C -7.261 6.263 2.367 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 257 . 1 1 18 ILE CG2 C -9.084 5.733 4.076 . . . 1.0 . . . . . . . . . . . . A . 39 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 258 . 1 1 18 ILE H H -7.147 3.722 1.173 . . . 1.0 . . . . . . . . . . . . A . 39 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 259 . 1 1 18 ILE HA H -6.710 4.283 3.954 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 260 . 1 1 18 ILE HB H -8.948 5.000 2.069 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 261 . 1 1 18 ILE HD11 H -8.671 7.895 2.251 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 262 . 1 1 18 ILE HD12 H -7.210 8.114 1.258 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 263 . 1 1 18 ILE HD13 H -8.479 6.981 0.735 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 264 . 1 1 18 ILE HG12 H -6.701 6.747 3.167 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 265 . 1 1 18 ILE HG13 H -6.515 5.855 1.686 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 266 . 1 1 18 ILE HG21 H -9.617 6.632 3.764 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 267 . 1 1 18 ILE HG22 H -9.802 4.978 4.394 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 268 . 1 1 18 ILE HG23 H -8.419 5.975 4.905 . . . 1.0 . . . . . . . . . . . . A . 39 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 269 . 1 1 18 ILE N N -6.928 3.293 2.083 . . . 1.0 . . . . . . . . . . . . A . 39 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 270 . 1 1 18 ILE O O -8.191 2.820 5.300 . . . 1.0 . . . . . . . . . . . . A . 39 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 271 . 1 1 19 ALA C C -9.249 0.105 4.743 . . . 1.0 . . . . . . . . . . . . A . 40 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 272 . 1 1 19 ALA CA C -10.073 1.191 4.054 . . . 1.0 . . . . . . . . . . . . A . 40 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 273 . 1 1 19 ALA CB C -11.075 0.623 3.032 . . . 1.0 . . . . . . . . . . . . A . 40 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 274 . 1 1 19 ALA H H -9.389 2.395 2.399 . . . 1.0 . . . . . . . . . . . . A . 40 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 275 . 1 1 19 ALA HA H -10.662 1.782 4.755 . . . 1.0 . . . . . . . . . . . . A . 40 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 276 . 1 1 19 ALA HB1 H -11.767 -0.048 3.538 . . . 1.0 . . . . . . . . . . . . A . 40 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 277 . 1 1 19 ALA HB2 H -11.630 1.441 2.575 . . . 1.0 . . . . . . . . . . . . A . 40 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 278 . 1 1 19 ALA HB3 H -10.535 0.074 2.260 . . . 1.0 . . . . . . . . . . . . A . 40 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 279 . 1 1 19 ALA N N -9.263 2.223 3.406 . . . 1.0 . . . . . . . . . . . . A . 40 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 280 . 1 1 19 ALA O O -9.475 -0.222 5.907 . . . 1.0 . . . . . . . . . . . . A . 40 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 281 . 1 1 20 TRP C C -6.552 -0.937 5.848 . . . 1.0 . . . . . . . . . . . . A . 41 TRP C . . . . . . . . . c16020_2kad 1 . 1 . 282 . 1 1 20 TRP CA C -7.300 -1.414 4.595 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CA . . . . . . . . . c16020_2kad 1 . 1 . 283 . 1 1 20 TRP CB C -6.308 -1.819 3.467 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CB . . . . . . . . . c16020_2kad 1 . 1 . 284 . 1 1 20 TRP CD1 C -5.454 -4.264 3.771 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CD1 . . . . . . . . . c16020_2kad 1 . 1 . 285 . 1 1 20 TRP CD2 C -3.966 -2.660 4.287 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CD2 . . . . . . . . . c16020_2kad 1 . 1 . 286 . 1 1 20 TRP CE2 C -3.358 -3.919 4.477 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CE2 . . . . . . . . . c16020_2kad 1 . 1 . 287 . 1 1 20 TRP CE3 C -3.276 -1.484 4.549 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CE3 . . . . . . . . . c16020_2kad 1 . 1 . 288 . 1 1 20 TRP CG C -5.300 -2.904 3.821 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CG . . . . . . . . . c16020_2kad 1 . 1 . 289 . 1 1 20 TRP CH2 C -1.346 -2.822 5.207 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CH2 . . . . . . . . . c16020_2kad 1 . 1 . 290 . 1 1 20 TRP CZ2 C -2.042 -4.015 4.928 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CZ2 . . . . . . . . . c16020_2kad 1 . 1 . 291 . 1 1 20 TRP CZ3 C -1.956 -1.576 5.015 . . . 1.0 . . . . . . . . . . . . A . 41 TRP CZ3 . . . . . . . . . c16020_2kad 1 . 1 . 292 . 1 1 20 TRP H H -8.076 -0.112 3.084 . . . 1.0 . . . . . . . . . . . . A . 41 TRP H . . . . . . . . . c16020_2kad 1 . 1 . 293 . 1 1 20 TRP HA H -7.782 -2.345 4.891 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HA . . . . . . . . . c16020_2kad 1 . 1 . 294 . 1 1 20 TRP HB2 H -6.894 -2.188 2.626 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 295 . 1 1 20 TRP HB3 H -5.737 -0.932 3.189 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 296 . 1 1 20 TRP HD1 H -6.369 -4.778 3.479 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HD1 . . . . . . . . . c16020_2kad 1 . 1 . 297 . 1 1 20 TRP HE1 H -4.124 -5.908 4.172 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HE1 . . . . . . . . . c16020_2kad 1 . 1 . 298 . 1 1 20 TRP HE3 H -3.749 -0.515 4.398 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HE3 . . . . . . . . . c16020_2kad 1 . 1 . 299 . 1 1 20 TRP HH2 H -0.322 -2.870 5.577 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HH2 . . . . . . . . . c16020_2kad 1 . 1 . 300 . 1 1 20 TRP HZ2 H -1.564 -4.986 5.061 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HZ2 . . . . . . . . . c16020_2kad 1 . 1 . 301 . 1 1 20 TRP HZ3 H -1.397 -0.665 5.231 . . . 1.0 . . . . . . . . . . . . A . 41 TRP HZ3 . . . . . . . . . c16020_2kad 1 . 1 . 302 . 1 1 20 TRP N N -8.220 -0.427 4.054 . . . 1.0 . . . . . . . . . . . . A . 41 TRP N . . . . . . . . . c16020_2kad 1 . 1 . 303 . 1 1 20 TRP NE1 N -4.283 -4.890 4.146 . . . 1.0 . . . . . . . . . . . . A . 41 TRP NE1 . . . . . . . . . c16020_2kad 1 . 1 . 304 . 1 1 20 TRP O O -6.520 -1.621 6.863 . . . 1.0 . . . . . . . . . . . . A . 41 TRP O . . . . . . . . . c16020_2kad 1 . 1 . 305 . 1 1 21 ILE C C -6.272 1.105 8.151 . . . 1.0 . . . . . . . . . . . . A . 42 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 306 . 1 1 21 ILE CA C -5.336 0.949 6.949 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 307 . 1 1 21 ILE CB C -4.749 2.300 6.514 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 308 . 1 1 21 ILE CD1 C -2.300 1.476 6.130 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 309 . 1 1 21 ILE CG1 C -3.559 2.122 5.535 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 310 . 1 1 21 ILE CG2 C -4.340 3.185 7.711 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 311 . 1 1 21 ILE H H -6.019 0.804 4.928 . . . 1.0 . . . . . . . . . . . . A . 42 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 312 . 1 1 21 ILE HA H -4.466 0.394 7.305 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 313 . 1 1 21 ILE HB H -5.449 2.891 5.925 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 314 . 1 1 21 ILE HD11 H -2.542 0.481 6.501 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 315 . 1 1 21 ILE HD12 H -1.532 1.402 5.360 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 316 . 1 1 21 ILE HD13 H -1.930 2.091 6.952 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 317 . 1 1 21 ILE HG12 H -3.891 1.485 4.715 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 318 . 1 1 21 ILE HG13 H -3.274 3.108 5.171 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 319 . 1 1 21 ILE HG21 H -3.932 4.127 7.345 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 320 . 1 1 21 ILE HG22 H -5.215 3.386 8.332 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 321 . 1 1 21 ILE HG23 H -3.586 2.670 8.305 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 322 . 1 1 21 ILE N N -5.987 0.290 5.820 . . . 1.0 . . . . . . . . . . . . A . 42 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 323 . 1 1 21 ILE O O -5.899 0.829 9.289 . . . 1.0 . . . . . . . . . . . . A . 42 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 324 . 1 1 22 LEU C C -8.895 0.223 9.598 . . . 1.0 . . . . . . . . . . . . A . 43 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 325 . 1 1 22 LEU CA C -8.574 1.570 8.957 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 326 . 1 1 22 LEU CB C -9.861 2.194 8.350 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 327 . 1 1 22 LEU CD1 C -10.602 3.552 10.391 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 328 . 1 1 22 LEU CD2 C -12.239 2.991 8.573 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 329 . 1 1 22 LEU CG C -11.003 2.505 9.341 . . . 1.0 . . . . . . . . . . . . A . 43 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 330 . 1 1 22 LEU H H -7.813 1.742 6.966 . . . 1.0 . . . . . . . . . . . . A . 43 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 331 . 1 1 22 LEU HA H -8.306 2.226 9.783 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 332 . 1 1 22 LEU HB2 H -9.583 3.136 7.879 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 333 . 1 1 22 LEU HB3 H -10.259 1.491 7.618 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 334 . 1 1 22 LEU HD11 H -11.441 3.734 11.062 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 335 . 1 1 22 LEU HD12 H -9.751 3.184 10.965 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 336 . 1 1 22 LEU HD13 H -10.328 4.482 9.892 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 337 . 1 1 22 LEU HD21 H -12.565 2.214 7.880 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 338 . 1 1 22 LEU HD22 H -13.042 3.209 9.276 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 339 . 1 1 22 LEU HD23 H -11.990 3.893 8.015 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 340 . 1 1 22 LEU HG H -11.326 1.624 9.897 . . . 1.0 . . . . . . . . . . . . A . 43 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 341 . 1 1 22 LEU N N -7.549 1.490 7.929 . . . 1.0 . . . . . . . . . . . . A . 43 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 342 . 1 1 22 LEU O O -9.068 0.120 10.813 . . . 1.0 . . . . . . . . . . . . A . 43 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 343 . 1 1 23 ASP C C -7.918 -2.695 10.170 . . . 1.0 . . . . . . . . . . . . A . 44 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 344 . 1 1 23 ASP CA C -9.086 -2.218 9.316 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 345 . 1 1 23 ASP CB C -9.278 -3.265 8.184 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 346 . 1 1 23 ASP CG C -10.546 -3.051 7.384 . . . 1.0 . . . . . . . . . . . . A . 44 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 347 . 1 1 23 ASP H H -8.832 -0.728 7.782 . . . 1.0 . . . . . . . . . . . . A . 44 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 348 . 1 1 23 ASP HA H -9.985 -2.247 9.933 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 349 . 1 1 23 ASP HB2 H -8.467 -3.259 7.454 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 350 . 1 1 23 ASP HB3 H -9.333 -4.289 8.552 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 351 . 1 1 23 ASP HD2 H -12.510 -2.993 7.605 . . . 1.0 . . . . . . . . . . . . A . 44 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 352 . 1 1 23 ASP N N -8.926 -0.861 8.799 . . . 1.0 . . . . . . . . . . . . A . 44 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 353 . 1 1 23 ASP O O -8.135 -3.352 11.182 . . . 1.0 . . . . . . . . . . . . A . 44 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 354 . 1 1 23 ASP OD1 O -10.619 -2.965 6.180 . . . 1.0 . . . . . . . . . . . . A . 44 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 355 . 1 1 23 ASP OD2 O -11.665 -3.065 8.189 . . . 1.0 . . . . . . . . . . . . A . 44 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 356 . 1 1 24 ARG C C -5.380 -2.020 11.873 . . . 1.0 . . . . . . . . . . . . A . 45 ARG C . . . . . . . . . c16020_2kad 1 . 1 . 357 . 1 1 24 ARG CA C -5.476 -2.749 10.535 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CA . . . . . . . . . c16020_2kad 1 . 1 . 358 . 1 1 24 ARG CB C -4.206 -2.445 9.692 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CB . . . . . . . . . c16020_2kad 1 . 1 . 359 . 1 1 24 ARG CD C -3.513 -4.825 9.009 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CD . . . . . . . . . c16020_2kad 1 . 1 . 360 . 1 1 24 ARG CG C -3.950 -3.438 8.536 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CG . . . . . . . . . c16020_2kad 1 . 1 . 361 . 1 1 24 ARG CZ C -2.816 -6.934 7.833 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CZ . . . . . . . . . c16020_2kad 1 . 1 . 362 . 1 1 24 ARG H H -6.543 -1.856 8.903 . . . 1.0 . . . . . . . . . . . . A . 45 ARG H . . . . . . . . . c16020_2kad 1 . 1 . 363 . 1 1 24 ARG HA H -5.437 -3.814 10.767 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HA . . . . . . . . . c16020_2kad 1 . 1 . 364 . 1 1 24 ARG HB2 H -4.314 -1.452 9.256 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB2 . . . . . . . . . c16020_2kad 1 . 1 . 365 . 1 1 24 ARG HB3 H -3.339 -2.483 10.354 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB3 . . . . . . . . . c16020_2kad 1 . 1 . 366 . 1 1 24 ARG HD2 H -2.613 -4.708 9.612 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD2 . . . . . . . . . c16020_2kad 1 . 1 . 367 . 1 1 24 ARG HD3 H -4.324 -5.252 9.600 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD3 . . . . . . . . . c16020_2kad 1 . 1 . 368 . 1 1 24 ARG HG2 H -4.827 -3.613 7.912 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG2 . . . . . . . . . c16020_2kad 1 . 1 . 369 . 1 1 24 ARG HG3 H -3.171 -3.113 7.848 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG3 . . . . . . . . . c16020_2kad 1 . 1 . 370 . 1 1 24 ARG HH11 H -2.736 -7.056 9.869 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH11 . . . . . . . . . c16020_2kad 1 . 1 . 371 . 1 1 24 ARG HH12 H -2.267 -8.530 8.982 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH12 . . . . . . . . . c16020_2kad 1 . 1 . 372 . 1 1 24 ARG HH21 H -2.810 -7.034 5.793 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH21 . . . . . . . . . c16020_2kad 1 . 1 . 373 . 1 1 24 ARG HH22 H -2.308 -8.518 6.647 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH22 . . . . . . . . . c16020_2kad 1 . 1 . 374 . 1 1 24 ARG N N -6.665 -2.382 9.780 . . . 1.0 . . . . . . . . . . . . A . 45 ARG N . . . . . . . . . c16020_2kad 1 . 1 . 375 . 1 1 24 ARG NE N -3.238 -5.661 7.798 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NE . . . . . . . . . c16020_2kad 1 . 1 . 376 . 1 1 24 ARG NH1 N -2.590 -7.552 8.979 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH1 . . . . . . . . . c16020_2kad 1 . 1 . 377 . 1 1 24 ARG NH2 N -2.631 -7.540 6.673 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH2 . . . . . . . . . c16020_2kad 1 . 1 . 378 . 1 1 24 ARG O O -4.901 -2.571 12.859 . . . 1.0 . . . . . . . . . . . . A . 45 ARG O . . . . . . . . . c16020_2kad 1 . 1 . 379 . 1 1 25 LEU C C -6.941 -0.476 14.128 . . . 1.0 . . . . . . . . . . . . A . 46 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 380 . 1 1 25 LEU CA C -5.901 0.035 13.139 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 381 . 1 1 25 LEU CB C -6.233 1.501 12.746 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 382 . 1 1 25 LEU CD1 C -4.754 2.691 14.479 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 383 . 1 1 25 LEU CD2 C -6.639 3.914 13.355 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 384 . 1 1 25 LEU CG C -6.166 2.551 13.879 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 385 . 1 1 25 LEU H H -6.204 -0.333 11.058 . . . 1.0 . . . . . . . . . . . . A . 46 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 386 . 1 1 25 LEU HA H -4.948 0.041 13.669 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 387 . 1 1 25 LEU HB2 H -5.516 1.811 11.986 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 388 . 1 1 25 LEU HB3 H -7.250 1.519 12.358 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 389 . 1 1 25 LEU HD11 H -4.767 3.443 15.268 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 390 . 1 1 25 LEU HD12 H -4.439 1.735 14.893 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 391 . 1 1 25 LEU HD13 H -4.056 2.997 13.699 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 392 . 1 1 25 LEU HD21 H -7.667 3.831 13.001 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 393 . 1 1 25 LEU HD22 H -6.590 4.650 14.158 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 394 . 1 1 25 LEU HD23 H -5.997 4.230 12.533 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 395 . 1 1 25 LEU HG H -6.825 2.313 14.714 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 396 . 1 1 25 LEU N N -5.853 -0.758 11.929 . . . 1.0 . . . . . . . . . . . . A . 46 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 397 . 1 1 25 LEU O O -6.693 -0.553 15.335 . . . 1.0 . . . . . . . . . . . . A . 46 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 398 . 1 1 25 LEU OXT O -7.922 -0.781 13.763 . . . 1.0 . . . . . . . . . . . . A . 46 LEU OXT . . . . . . . . . c16020_2kad 1 . 1 . 399 . 2 1 1 SER C C 14.284 12.956 -4.690 . . . 1.0 . . . . . . . . . . . . B . 22 SER C . . . . . . . . . c16020_2kad 1 . 1 . 400 . 2 1 1 SER CA C 15.804 13.015 -4.807 . . . 1.0 . . . . . . . . . . . . B . 22 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 401 . 2 1 1 SER CB C 16.251 13.983 -5.950 . . . 1.0 . . . . . . . . . . . . B . 22 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 402 . 2 1 1 SER H1 H 15.703 10.969 -5.253 . . . 1.0 . . . . . . . . . . . . B . 22 SER H1 . . . . . . . . . c16020_2kad 1 . 1 . 403 . 2 1 1 SER H2 H 17.109 11.712 -5.803 . . . 1.0 . . . . . . . . . . . . B . 22 SER H2 . . . . . . . . . c16020_2kad 1 . 1 . 404 . 2 1 1 SER HA H 16.150 13.505 -3.899 . . . 1.0 . . . . . . . . . . . . B . 22 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 405 . 2 1 1 SER HB2 H 16.207 13.488 -6.919 . . . 1.0 . . . . . . . . . . . . B . 22 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 406 . 2 1 1 SER HB3 H 15.607 14.861 -5.991 . . . 1.0 . . . . . . . . . . . . B . 22 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 407 . 2 1 1 SER HG H 17.838 15.124 -6.465 . . . 1.0 . . . . . . . . . . . . B . 22 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 408 . 2 1 1 SER N N 16.435 11.657 -5.026 . . . 1.0 . . . . . . . . . . . . B . 22 SER N . . . . . . . . . c16020_2kad 1 . 1 . 409 . 2 1 1 SER O O 13.663 11.896 -4.707 . . . 1.0 . . . . . . . . . . . . B . 22 SER O . . . . . . . . . c16020_2kad 1 . 1 . 410 . 2 1 1 SER OG O 17.593 14.431 -5.743 . . . 1.0 . . . . . . . . . . . . B . 22 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 411 . 2 1 2 SER C C 11.334 13.625 -5.503 . . . 1.0 . . . . . . . . . . . . B . 23 SER C . . . . . . . . . c16020_2kad 1 . 1 . 412 . 2 1 2 SER CA C 12.154 14.133 -4.320 . . . 1.0 . . . . . . . . . . . . B . 23 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 413 . 2 1 2 SER CB C 11.654 15.544 -3.925 . . . 1.0 . . . . . . . . . . . . B . 23 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 414 . 2 1 2 SER H H 14.113 15.009 -4.604 . . . 1.0 . . . . . . . . . . . . B . 23 SER H . . . . . . . . . c16020_2kad 1 . 1 . 415 . 2 1 2 SER HA H 11.935 13.496 -3.464 . . . 1.0 . . . . . . . . . . . . B . 23 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 416 . 2 1 2 SER HB2 H 11.978 16.281 -4.659 . . . 1.0 . . . . . . . . . . . . B . 23 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 417 . 2 1 2 SER HB3 H 10.566 15.561 -3.874 . . . 1.0 . . . . . . . . . . . . B . 23 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 418 . 2 1 2 SER HG H 13.099 16.352 -2.768 . . . 1.0 . . . . . . . . . . . . B . 23 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 419 . 2 1 2 SER N N 13.603 14.115 -4.549 . . . 1.0 . . . . . . . . . . . . B . 23 SER N . . . . . . . . . c16020_2kad 1 . 1 . 420 . 2 1 2 SER O O 10.231 13.115 -5.342 . . . 1.0 . . . . . . . . . . . . B . 23 SER O . . . . . . . . . c16020_2kad 1 . 1 . 421 . 2 1 2 SER OG O 12.172 15.916 -2.651 . . . 1.0 . . . . . . . . . . . . B . 23 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 422 . 2 1 3 ASP C C 11.624 11.674 -8.088 . . . 1.0 . . . . . . . . . . . . B . 24 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 423 . 2 1 3 ASP CA C 11.321 13.198 -7.945 . . . 1.0 . . . . . . . . . . . . B . 24 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 424 . 2 1 3 ASP CB C 11.737 14.126 -9.122 . . . 1.0 . . . . . . . . . . . . B . 24 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 425 . 2 1 3 ASP CG C 11.254 13.629 -10.467 . . . 1.0 . . . . . . . . . . . . B . 24 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 426 . 2 1 3 ASP H H 12.790 14.228 -6.803 . . . 1.0 . . . . . . . . . . . . B . 24 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 427 . 2 1 3 ASP HA H 10.239 13.323 -7.960 . . . 1.0 . . . . . . . . . . . . B . 24 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 428 . 2 1 3 ASP HB2 H 11.346 15.139 -9.022 . . . 1.0 . . . . . . . . . . . . B . 24 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 429 . 2 1 3 ASP HB3 H 12.818 14.235 -9.217 . . . 1.0 . . . . . . . . . . . . B . 24 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 430 . 2 1 3 ASP HD2 H 9.697 13.588 -11.658 . . . 1.0 . . . . . . . . . . . . B . 24 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 431 . 2 1 3 ASP N N 11.891 13.731 -6.729 . . . 1.0 . . . . . . . . . . . . B . 24 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 432 . 2 1 3 ASP O O 10.669 10.911 -8.253 . . . 1.0 . . . . . . . . . . . . B . 24 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 433 . 2 1 3 ASP OD1 O 11.943 13.053 -11.285 . . . 1.0 . . . . . . . . . . . . B . 24 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 434 . 2 1 3 ASP OD2 O 9.950 13.925 -10.718 . . . 1.0 . . . . . . . . . . . . B . 24 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 435 . 2 1 4 PRO C C 12.446 8.828 -6.991 . . . 1.0 . . . . . . . . . . . . B . 25 PRO C . . . . . . . . . c16020_2kad 1 . 1 . 436 . 2 1 4 PRO CA C 13.089 9.689 -8.071 . . . 1.0 . . . . . . . . . . . . B . 25 PRO CA . . . . . . . . . c16020_2kad 1 . 1 . 437 . 2 1 4 PRO CB C 14.619 9.612 -7.956 . . . 1.0 . . . . . . . . . . . . B . 25 PRO CB . . . . . . . . . c16020_2kad 1 . 1 . 438 . 2 1 4 PRO CD C 14.058 11.870 -8.432 . . . 1.0 . . . . . . . . . . . . B . 25 PRO CD . . . . . . . . . c16020_2kad 1 . 1 . 439 . 2 1 4 PRO CG C 15.090 10.805 -8.784 . . . 1.0 . . . . . . . . . . . . B . 25 PRO CG . . . . . . . . . c16020_2kad 1 . 1 . 440 . 2 1 4 PRO HA H 12.704 9.327 -9.024 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HA . . . . . . . . . c16020_2kad 1 . 1 . 441 . 2 1 4 PRO HB2 H 14.940 9.690 -6.916 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HB2 . . . . . . . . . c16020_2kad 1 . 1 . 442 . 2 1 4 PRO HB3 H 14.997 8.669 -8.350 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HB3 . . . . . . . . . c16020_2kad 1 . 1 . 443 . 2 1 4 PRO HD2 H 14.347 12.474 -7.572 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HD2 . . . . . . . . . c16020_2kad 1 . 1 . 444 . 2 1 4 PRO HD3 H 13.758 12.470 -9.292 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HD3 . . . . . . . . . c16020_2kad 1 . 1 . 445 . 2 1 4 PRO HG2 H 16.101 11.103 -8.509 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HG2 . . . . . . . . . c16020_2kad 1 . 1 . 446 . 2 1 4 PRO HG3 H 15.094 10.570 -9.848 . . . 1.0 . . . . . . . . . . . . B . 25 PRO HG3 . . . . . . . . . c16020_2kad 1 . 1 . 447 . 2 1 4 PRO N N 12.851 11.135 -8.020 . . . 1.0 . . . . . . . . . . . . B . 25 PRO N . . . . . . . . . c16020_2kad 1 . 1 . 448 . 2 1 4 PRO O O 12.086 7.687 -7.275 . . . 1.0 . . . . . . . . . . . . B . 25 PRO O . . . . . . . . . c16020_2kad 1 . 1 . 449 . 2 1 5 LEU C C 10.174 8.265 -4.968 . . . 1.0 . . . . . . . . . . . . B . 26 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 450 . 2 1 5 LEU CA C 11.639 8.585 -4.676 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 451 . 2 1 5 LEU CB C 11.731 9.319 -3.311 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 452 . 2 1 5 LEU CD1 C 13.146 10.339 -1.502 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 453 . 2 1 5 LEU CD2 C 13.839 8.130 -2.482 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 454 . 2 1 5 LEU CG C 13.164 9.477 -2.768 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 455 . 2 1 5 LEU H H 12.603 10.297 -5.562 . . . 1.0 . . . . . . . . . . . . B . 26 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 456 . 2 1 5 LEU HA H 12.127 7.630 -4.488 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 457 . 2 1 5 LEU HB2 H 11.313 10.320 -3.432 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 458 . 2 1 5 LEU HB3 H 11.162 8.750 -2.578 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 459 . 2 1 5 LEU HD11 H 14.161 10.450 -1.120 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 460 . 2 1 5 LEU HD12 H 12.739 11.324 -1.737 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 461 . 2 1 5 LEU HD13 H 12.523 9.863 -0.744 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 462 . 2 1 5 LEU HD21 H 13.893 7.548 -3.402 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 463 . 2 1 5 LEU HD22 H 14.846 8.302 -2.101 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 464 . 2 1 5 LEU HD23 H 13.258 7.584 -1.739 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 465 . 2 1 5 LEU HG H 13.792 9.957 -3.518 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 466 . 2 1 5 LEU N N 12.275 9.339 -5.753 . . . 1.0 . . . . . . . . . . . . B . 26 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 467 . 2 1 5 LEU O O 9.687 7.176 -4.673 . . . 1.0 . . . . . . . . . . . . B . 26 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 468 . 2 1 6 VAL C C 7.806 7.883 -6.953 . . . 1.0 . . . . . . . . . . . . B . 27 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 469 . 2 1 6 VAL CA C 8.011 9.006 -5.928 . . . 1.0 . . . . . . . . . . . . B . 27 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 470 . 2 1 6 VAL CB C 7.306 10.324 -6.296 . . . 1.0 . . . . . . . . . . . . B . 27 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 471 . 2 1 6 VAL CG1 C 5.994 10.130 -7.084 . . . 1.0 . . . . . . . . . . . . B . 27 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 472 . 2 1 6 VAL CG2 C 7.075 11.180 -5.035 . . . 1.0 . . . . . . . . . . . . B . 27 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 473 . 2 1 6 VAL H H 9.863 10.108 -5.825 . . . 1.0 . . . . . . . . . . . . B . 27 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 474 . 2 1 6 VAL HA H 7.402 8.742 -5.065 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 475 . 2 1 6 VAL HB H 7.909 10.986 -6.918 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 476 . 2 1 6 VAL HG11 H 5.555 11.103 -7.307 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 477 . 2 1 6 VAL HG12 H 6.203 9.605 -8.017 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 478 . 2 1 6 VAL HG13 H 5.293 9.545 -6.487 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 479 . 2 1 6 VAL HG21 H 8.032 11.409 -4.567 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 480 . 2 1 6 VAL HG22 H 6.575 12.109 -5.312 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 481 . 2 1 6 VAL HG23 H 6.449 10.629 -4.332 . . . 1.0 . . . . . . . . . . . . B . 27 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 482 . 2 1 6 VAL N N 9.424 9.208 -5.585 . . . 1.0 . . . . . . . . . . . . B . 27 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 483 . 2 1 6 VAL O O 6.921 7.029 -6.830 . . . 1.0 . . . . . . . . . . . . B . 27 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 484 . 2 1 7 VAL C C 9.159 5.389 -8.298 . . . 1.0 . . . . . . . . . . . . B . 28 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 485 . 2 1 7 VAL CA C 8.785 6.728 -8.940 . . . 1.0 . . . . . . . . . . . . B . 28 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 486 . 2 1 7 VAL CB C 9.718 7.114 -10.089 . . . 1.0 . . . . . . . . . . . . B . 28 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 487 . 2 1 7 VAL CG1 C 10.221 5.890 -10.878 . . . 1.0 . . . . . . . . . . . . B . 28 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 488 . 2 1 7 VAL CG2 C 8.933 8.050 -11.035 . . . 1.0 . . . . . . . . . . . . B . 28 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 489 . 2 1 7 VAL H H 9.389 8.571 -8.046 . . . 1.0 . . . . . . . . . . . . B . 28 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 490 . 2 1 7 VAL HA H 7.839 6.573 -9.458 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 491 . 2 1 7 VAL HB H 10.608 7.641 -9.745 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 492 . 2 1 7 VAL HG11 H 10.880 6.220 -11.681 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 493 . 2 1 7 VAL HG12 H 10.769 5.226 -10.210 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 494 . 2 1 7 VAL HG13 H 9.370 5.357 -11.302 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 495 . 2 1 7 VAL HG21 H 8.617 8.938 -10.488 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 496 . 2 1 7 VAL HG22 H 9.571 8.344 -11.868 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 497 . 2 1 7 VAL HG23 H 8.055 7.527 -11.417 . . . 1.0 . . . . . . . . . . . . B . 28 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 498 . 2 1 7 VAL N N 8.706 7.805 -7.962 . . . 1.0 . . . . . . . . . . . . B . 28 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 499 . 2 1 7 VAL O O 8.558 4.360 -8.605 . . . 1.0 . . . . . . . . . . . . B . 28 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 500 . 2 1 8 ALA C C 9.370 3.549 -5.792 . . . 1.0 . . . . . . . . . . . . B . 29 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 501 . 2 1 8 ALA CA C 10.498 4.180 -6.608 . . . 1.0 . . . . . . . . . . . . B . 29 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 502 . 2 1 8 ALA CB C 11.692 4.497 -5.684 . . . 1.0 . . . . . . . . . . . . B . 29 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 503 . 2 1 8 ALA H H 10.596 6.257 -7.122 . . . 1.0 . . . . . . . . . . . . B . 29 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 504 . 2 1 8 ALA HA H 10.843 3.435 -7.325 . . . 1.0 . . . . . . . . . . . . B . 29 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 505 . 2 1 8 ALA HB1 H 11.409 5.278 -4.979 . . . 1.0 . . . . . . . . . . . . B . 29 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 506 . 2 1 8 ALA HB2 H 11.976 3.598 -5.136 . . . 1.0 . . . . . . . . . . . . B . 29 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 507 . 2 1 8 ALA HB3 H 12.536 4.838 -6.284 . . . 1.0 . . . . . . . . . . . . B . 29 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 508 . 2 1 8 ALA N N 10.114 5.374 -7.342 . . . 1.0 . . . . . . . . . . . . B . 29 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 509 . 2 1 8 ALA O O 9.235 2.325 -5.753 . . . 1.0 . . . . . . . . . . . . B . 29 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 510 . 2 1 9 ALA C C 6.263 3.336 -5.342 . . . 1.0 . . . . . . . . . . . . B . 30 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 511 . 2 1 9 ALA CA C 7.341 3.922 -4.431 . . . 1.0 . . . . . . . . . . . . B . 30 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 512 . 2 1 9 ALA CB C 6.835 5.114 -3.599 . . . 1.0 . . . . . . . . . . . . B . 30 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 513 . 2 1 9 ALA H H 8.684 5.382 -5.217 . . . 1.0 . . . . . . . . . . . . B . 30 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 514 . 2 1 9 ALA HA H 7.672 3.114 -3.752 . . . 1.0 . . . . . . . . . . . . B . 30 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 515 . 2 1 9 ALA HB1 H 5.972 4.838 -2.966 . . . 1.0 . . . . . . . . . . . . B . 30 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 516 . 2 1 9 ALA HB2 H 7.617 5.501 -2.918 . . . 1.0 . . . . . . . . . . . . B . 30 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 517 . 2 1 9 ALA HB3 H 6.514 5.961 -4.237 . . . 1.0 . . . . . . . . . . . . B . 30 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 518 . 2 1 9 ALA N N 8.506 4.369 -5.168 . . . 1.0 . . . . . . . . . . . . B . 30 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 519 . 2 1 9 ALA O O 5.601 2.351 -5.005 . . . 1.0 . . . . . . . . . . . . B . 30 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 520 . 2 1 10 SER C C 5.569 2.045 -8.116 . . . 1.0 . . . . . . . . . . . . B . 31 SER C . . . . . . . . . c16020_2kad 1 . 1 . 521 . 2 1 10 SER CA C 5.196 3.426 -7.574 . . . 1.0 . . . . . . . . . . . . B . 31 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 522 . 2 1 10 SER CB C 5.070 4.409 -8.763 . . . 1.0 . . . . . . . . . . . . B . 31 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 523 . 2 1 10 SER H H 6.673 4.746 -6.765 . . . 1.0 . . . . . . . . . . . . B . 31 SER H . . . . . . . . . c16020_2kad 1 . 1 . 524 . 2 1 10 SER HA H 4.168 3.330 -7.225 . . . 1.0 . . . . . . . . . . . . B . 31 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 525 . 2 1 10 SER HB2 H 6.018 4.496 -9.296 . . . 1.0 . . . . . . . . . . . . B . 31 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 526 . 2 1 10 SER HB3 H 4.315 4.070 -9.470 . . . 1.0 . . . . . . . . . . . . B . 31 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 527 . 2 1 10 SER HG H 4.793 5.762 -7.283 . . . 1.0 . . . . . . . . . . . . B . 31 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 528 . 2 1 10 SER N N 6.108 3.911 -6.553 . . . 1.0 . . . . . . . . . . . . B . 31 SER N . . . . . . . . . c16020_2kad 1 . 1 . 529 . 2 1 10 SER O O 4.718 1.182 -8.303 . . . 1.0 . . . . . . . . . . . . B . 31 SER O . . . . . . . . . c16020_2kad 1 . 1 . 530 . 2 1 10 SER OG O 4.698 5.715 -8.309 . . . 1.0 . . . . . . . . . . . . B . 31 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 531 . 2 1 11 ILE C C 7.128 -0.631 -7.772 . . . 1.0 . . . . . . . . . . . . B . 32 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 532 . 2 1 11 ILE CA C 7.413 0.492 -8.780 . . . 1.0 . . . . . . . . . . . . B . 32 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 533 . 2 1 11 ILE CB C 8.910 0.631 -9.068 . . . 1.0 . . . . . . . . . . . . B . 32 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 534 . 2 1 11 ILE CD1 C 10.564 2.118 -10.396 . . . 1.0 . . . . . . . . . . . . B . 32 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 535 . 2 1 11 ILE CG1 C 9.130 1.585 -10.270 . . . 1.0 . . . . . . . . . . . . B . 32 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 536 . 2 1 11 ILE CG2 C 9.582 -0.738 -9.324 . . . 1.0 . . . . . . . . . . . . B . 32 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 537 . 2 1 11 ILE H H 7.550 2.551 -8.166 . . . 1.0 . . . . . . . . . . . . B . 32 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 538 . 2 1 11 ILE HA H 6.981 0.180 -9.731 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 539 . 2 1 11 ILE HB H 9.446 1.096 -8.242 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 540 . 2 1 11 ILE HD11 H 11.254 1.283 -10.521 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 541 . 2 1 11 ILE HD12 H 10.633 2.778 -11.261 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 542 . 2 1 11 ILE HD13 H 10.827 2.672 -9.495 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 543 . 2 1 11 ILE HG12 H 8.897 1.043 -11.187 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 544 . 2 1 11 ILE HG13 H 8.468 2.443 -10.153 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 545 . 2 1 11 ILE HG21 H 10.643 -0.590 -9.524 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 546 . 2 1 11 ILE HG22 H 9.465 -1.370 -8.443 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 547 . 2 1 11 ILE HG23 H 9.115 -1.220 -10.181 . . . 1.0 . . . . . . . . . . . . B . 32 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 548 . 2 1 11 ILE N N 6.878 1.787 -8.330 . . . 1.0 . . . . . . . . . . . . B . 32 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 549 . 2 1 11 ILE O O 6.753 -1.746 -8.130 . . . 1.0 . . . . . . . . . . . . B . 32 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 550 . 2 1 12 ILE C C 5.466 -1.653 -5.413 . . . 1.0 . . . . . . . . . . . . B . 33 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 551 . 2 1 12 ILE CA C 6.950 -1.242 -5.410 . . . 1.0 . . . . . . . . . . . . B . 33 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 552 . 2 1 12 ILE CB C 7.411 -0.769 -4.023 . . . 1.0 . . . . . . . . . . . . B . 33 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 553 . 2 1 12 ILE CD1 C 9.522 -0.371 -2.611 . . . 1.0 . . . . . . . . . . . . B . 33 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 554 . 2 1 12 ILE CG1 C 8.913 -1.088 -3.820 . . . 1.0 . . . . . . . . . . . . B . 33 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 555 . 2 1 12 ILE CG2 C 6.589 -1.457 -2.907 . . . 1.0 . . . . . . . . . . . . B . 33 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 556 . 2 1 12 ILE H H 7.621 0.663 -6.239 . . . 1.0 . . . . . . . . . . . . B . 33 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 557 . 2 1 12 ILE HA H 7.519 -2.169 -5.488 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 558 . 2 1 12 ILE HB H 7.287 0.309 -3.922 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 559 . 2 1 12 ILE HD11 H 8.996 -0.672 -1.706 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 560 . 2 1 12 ILE HD12 H 10.576 -0.634 -2.524 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 561 . 2 1 12 ILE HD13 H 9.429 0.708 -2.743 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 562 . 2 1 12 ILE HG12 H 9.108 -2.148 -3.660 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 563 . 2 1 12 ILE HG13 H 9.531 -0.801 -4.672 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 564 . 2 1 12 ILE HG21 H 6.933 -1.107 -1.933 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 565 . 2 1 12 ILE HG22 H 5.534 -1.212 -3.027 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 566 . 2 1 12 ILE HG23 H 6.720 -2.538 -2.971 . . . 1.0 . . . . . . . . . . . . B . 33 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 567 . 2 1 12 ILE N N 7.278 -0.277 -6.479 . . . 1.0 . . . . . . . . . . . . B . 33 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 568 . 2 1 12 ILE O O 5.126 -2.835 -5.304 . . . 1.0 . . . . . . . . . . . . B . 33 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 569 . 2 1 13 GLY C C 2.715 -1.844 -6.880 . . . 1.0 . . . . . . . . . . . . B . 34 GLY C . . . . . . . . . c16020_2kad 1 . 1 . 570 . 2 1 13 GLY CA C 3.110 -0.927 -5.741 . . . 1.0 . . . . . . . . . . . . B . 34 GLY CA . . . . . . . . . c16020_2kad 1 . 1 . 571 . 2 1 13 GLY H H 4.884 0.292 -5.676 . . . 1.0 . . . . . . . . . . . . B . 34 GLY H . . . . . . . . . c16020_2kad 1 . 1 . 572 . 2 1 13 GLY HA2 H 2.759 -1.387 -4.817 . . . 1.0 . . . . . . . . . . . . B . 34 GLY HA2 . . . . . . . . . c16020_2kad 1 . 1 . 573 . 2 1 13 GLY HA3 H 2.615 0.030 -5.908 . . . 1.0 . . . . . . . . . . . . B . 34 GLY HA3 . . . . . . . . . c16020_2kad 1 . 1 . 574 . 2 1 13 GLY N N 4.551 -0.681 -5.612 . . . 1.0 . . . . . . . . . . . . B . 34 GLY N . . . . . . . . . c16020_2kad 1 . 1 . 575 . 2 1 13 GLY O O 1.840 -2.692 -6.744 . . . 1.0 . . . . . . . . . . . . B . 34 GLY O . . . . . . . . . c16020_2kad 1 . 1 . 576 . 2 1 14 ILE C C 3.648 -4.008 -8.941 . . . 1.0 . . . . . . . . . . . . B . 35 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 577 . 2 1 14 ILE CA C 3.187 -2.572 -9.193 . . . 1.0 . . . . . . . . . . . . B . 35 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 578 . 2 1 14 ILE CB C 3.841 -1.976 -10.449 . . . 1.0 . . . . . . . . . . . . B . 35 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 579 . 2 1 14 ILE CD1 C 1.619 -0.893 -11.311 . . . 1.0 . . . . . . . . . . . . B . 35 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 580 . 2 1 14 ILE CG1 C 3.094 -0.699 -10.931 . . . 1.0 . . . . . . . . . . . . B . 35 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 581 . 2 1 14 ILE CG2 C 3.990 -2.990 -11.603 . . . 1.0 . . . . . . . . . . . . B . 35 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 582 . 2 1 14 ILE H H 4.092 -0.949 -8.113 . . . 1.0 . . . . . . . . . . . . B . 35 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 583 . 2 1 14 ILE HA H 2.140 -2.638 -9.486 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 584 . 2 1 14 ILE HB H 4.845 -1.590 -10.273 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 585 . 2 1 14 ILE HD11 H 1.065 -1.260 -10.448 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 586 . 2 1 14 ILE HD12 H 1.198 0.061 -11.632 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 587 . 2 1 14 ILE HD13 H 1.544 -1.613 -12.125 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 588 . 2 1 14 ILE HG12 H 3.123 0.032 -10.123 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 589 . 2 1 14 ILE HG13 H 3.608 -0.324 -11.816 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 590 . 2 1 14 ILE HG21 H 4.459 -2.501 -12.457 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 591 . 2 1 14 ILE HG22 H 4.611 -3.823 -11.275 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 592 . 2 1 14 ILE HG23 H 3.007 -3.361 -11.891 . . . 1.0 . . . . . . . . . . . . B . 35 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 593 . 2 1 14 ILE N N 3.395 -1.704 -8.039 . . . 1.0 . . . . . . . . . . . . B . 35 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 594 . 2 1 14 ILE O O 2.938 -4.957 -9.249 . . . 1.0 . . . . . . . . . . . . B . 35 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 595 . 2 1 15 LEU C C 4.437 -6.258 -6.952 . . . 1.0 . . . . . . . . . . . . B . 36 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 596 . 2 1 15 LEU CA C 5.341 -5.528 -7.931 . . . 1.0 . . . . . . . . . . . . B . 36 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 597 . 2 1 15 LEU CB C 6.757 -5.426 -7.305 . . . 1.0 . . . . . . . . . . . . B . 36 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 598 . 2 1 15 LEU CD1 C 9.184 -4.716 -7.526 . . . 1.0 . . . . . . . . . . . . B . 36 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 599 . 2 1 15 LEU CD2 C 8.041 -5.897 -9.444 . . . 1.0 . . . . . . . . . . . . B . 36 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 600 . 2 1 15 LEU CG C 7.855 -4.926 -8.266 . . . 1.0 . . . . . . . . . . . . B . 36 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 601 . 2 1 15 LEU H H 5.405 -3.384 -8.085 . . . 1.0 . . . . . . . . . . . . B . 36 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 602 . 2 1 15 LEU HA H 5.457 -6.202 -8.780 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 603 . 2 1 15 LEU HB2 H 6.710 -4.727 -6.470 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 604 . 2 1 15 LEU HB3 H 7.049 -6.419 -6.963 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 605 . 2 1 15 LEU HD11 H 9.940 -4.364 -8.228 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 606 . 2 1 15 LEU HD12 H 9.048 -3.977 -6.737 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 607 . 2 1 15 LEU HD13 H 9.508 -5.660 -7.086 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 608 . 2 1 15 LEU HD21 H 7.106 -5.980 -9.998 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 609 . 2 1 15 LEU HD22 H 8.822 -5.520 -10.106 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 610 . 2 1 15 LEU HD23 H 8.328 -6.877 -9.066 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 611 . 2 1 15 LEU HG H 7.576 -3.977 -8.723 . . . 1.0 . . . . . . . . . . . . B . 36 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 612 . 2 1 15 LEU N N 4.829 -4.209 -8.311 . . . 1.0 . . . . . . . . . . . . B . 36 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 613 . 2 1 15 LEU O O 4.193 -7.450 -7.102 . . . 1.0 . . . . . . . . . . . . B . 36 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 614 . 2 1 16 HIS C C 1.623 -6.538 -5.644 . . . 1.0 . . . . . . . . . . . . B . 37 HIS C . . . . . . . . . c16020_2kad 1 . 1 . 615 . 2 1 16 HIS CA C 2.935 -6.087 -4.987 . . . 1.0 . . . . . . . . . . . . B . 37 HIS CA . . . . . . . . . c16020_2kad 1 . 1 . 616 . 2 1 16 HIS CB C 2.622 -5.069 -3.869 . . . 1.0 . . . . . . . . . . . . B . 37 HIS CB . . . . . . . . . c16020_2kad 1 . 1 . 617 . 2 1 16 HIS CD2 C 1.245 -6.853 -2.547 . . . 1.0 . . . . . . . . . . . . B . 37 HIS CD2 . . . . . . . . . c16020_2kad 1 . 1 . 618 . 2 1 16 HIS CE1 C 0.298 -5.411 -1.198 . . . 1.0 . . . . . . . . . . . . B . 37 HIS CE1 . . . . . . . . . c16020_2kad 1 . 1 . 619 . 2 1 16 HIS CG C 1.691 -5.598 -2.816 . . . 1.0 . . . . . . . . . . . . B . 37 HIS CG . . . . . . . . . c16020_2kad 1 . 1 . 620 . 2 1 16 HIS H H 4.183 -4.555 -5.836 . . . 1.0 . . . . . . . . . . . . B . 37 HIS H . . . . . . . . . c16020_2kad 1 . 1 . 621 . 2 1 16 HIS HA H 3.306 -6.960 -4.452 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HA . . . . . . . . . c16020_2kad 1 . 1 . 622 . 2 1 16 HIS HB2 H 3.503 -4.735 -3.322 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HB2 . . . . . . . . . c16020_2kad 1 . 1 . 623 . 2 1 16 HIS HB3 H 2.149 -4.154 -4.229 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HB3 . . . . . . . . . c16020_2kad 1 . 1 . 624 . 2 1 16 HIS HD2 H 1.541 -7.773 -3.051 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HD2 . . . . . . . . . c16020_2kad 1 . 1 . 625 . 2 1 16 HIS HE1 H -0.333 -4.994 -0.412 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HE1 . . . . . . . . . c16020_2kad 1 . 1 . 626 . 2 1 16 HIS HE2 H -0.185 -7.486 -1.061 . . . 1.0 . . . . . . . . . . . . B . 37 HIS HE2 . . . . . . . . . c16020_2kad 1 . 1 . 627 . 2 1 16 HIS N N 3.898 -5.539 -5.941 . . . 1.0 . . . . . . . . . . . . B . 37 HIS N . . . . . . . . . c16020_2kad 1 . 1 . 628 . 2 1 16 HIS ND1 N 1.100 -4.699 -1.956 . . . 1.0 . . . . . . . . . . . . B . 37 HIS ND1 . . . . . . . . . c16020_2kad 1 . 1 . 629 . 2 1 16 HIS NE2 N 0.346 -6.727 -1.512 . . . 1.0 . . . . . . . . . . . . B . 37 HIS NE2 . . . . . . . . . c16020_2kad 1 . 1 . 630 . 2 1 16 HIS O O 1.099 -7.612 -5.358 . . . 1.0 . . . . . . . . . . . . B . 37 HIS O . . . . . . . . . c16020_2kad 1 . 1 . 631 . 2 1 17 LEU C C 0.083 -7.294 -8.271 . . . 1.0 . . . . . . . . . . . . B . 38 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 632 . 2 1 17 LEU CA C -0.104 -6.086 -7.356 . . . 1.0 . . . . . . . . . . . . B . 38 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 633 . 2 1 17 LEU CB C -0.569 -4.864 -8.189 . . . 1.0 . . . . . . . . . . . . B . 38 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 634 . 2 1 17 LEU CD1 C -0.661 -2.289 -8.069 . . . 1.0 . . . . . . . . . . . . B . 38 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 635 . 2 1 17 LEU CD2 C -2.580 -3.683 -7.227 . . . 1.0 . . . . . . . . . . . . B . 38 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 636 . 2 1 17 LEU CG C -1.053 -3.625 -7.404 . . . 1.0 . . . . . . . . . . . . B . 38 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 637 . 2 1 17 LEU H H 1.549 -4.836 -6.794 . . . 1.0 . . . . . . . . . . . . B . 38 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 638 . 2 1 17 LEU HA H -0.962 -6.336 -6.731 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 639 . 2 1 17 LEU HB2 H 0.275 -4.540 -8.800 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 640 . 2 1 17 LEU HB3 H -1.405 -5.188 -8.811 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 641 . 2 1 17 LEU HD11 H -1.032 -1.459 -7.467 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 642 . 2 1 17 LEU HD12 H 0.424 -2.226 -8.146 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 643 . 2 1 17 LEU HD13 H -1.099 -2.237 -9.066 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 644 . 2 1 17 LEU HD21 H -2.849 -4.585 -6.676 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 645 . 2 1 17 LEU HD22 H -2.916 -2.807 -6.673 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 646 . 2 1 17 LEU HD23 H -3.060 -3.699 -8.206 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 647 . 2 1 17 LEU HG H -0.651 -3.572 -6.392 . . . 1.0 . . . . . . . . . . . . B . 38 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 648 . 2 1 17 LEU N N 1.089 -5.736 -6.596 . . . 1.0 . . . . . . . . . . . . B . 38 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 649 . 2 1 17 LEU O O -0.794 -8.151 -8.371 . . . 1.0 . . . . . . . . . . . . B . 38 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 650 . 2 1 18 ILE C C 1.616 -9.864 -8.994 . . . 1.0 . . . . . . . . . . . . B . 39 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 651 . 2 1 18 ILE CA C 1.628 -8.544 -9.773 . . . 1.0 . . . . . . . . . . . . B . 39 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 652 . 2 1 18 ILE CB C 2.991 -8.283 -10.425 . . . 1.0 . . . . . . . . . . . . B . 39 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 653 . 2 1 18 ILE CD1 C 4.218 -6.536 -11.863 . . . 1.0 . . . . . . . . . . . . B . 39 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 654 . 2 1 18 ILE CG1 C 2.863 -7.128 -11.456 . . . 1.0 . . . . . . . . . . . . B . 39 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 655 . 2 1 18 ILE CG2 C 3.554 -9.558 -11.092 . . . 1.0 . . . . . . . . . . . . B . 39 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 656 . 2 1 18 ILE H H 1.925 -6.633 -8.855 . . . 1.0 . . . . . . . . . . . . B . 39 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 657 . 2 1 18 ILE HA H 0.955 -8.678 -10.619 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 658 . 2 1 18 ILE HB H 3.726 -7.947 -9.694 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 659 . 2 1 18 ILE HD11 H 4.836 -7.314 -12.312 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 660 . 2 1 18 ILE HD12 H 4.064 -5.734 -12.585 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 661 . 2 1 18 ILE HD13 H 4.721 -6.138 -10.981 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 662 . 2 1 18 ILE HG12 H 2.384 -7.440 -12.385 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 663 . 2 1 18 ILE HG13 H 2.271 -6.291 -11.085 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 664 . 2 1 18 ILE HG21 H 4.521 -9.336 -11.544 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 665 . 2 1 18 ILE HG22 H 3.676 -10.339 -10.340 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 666 . 2 1 18 ILE HG23 H 2.864 -9.901 -11.862 . . . 1.0 . . . . . . . . . . . . B . 39 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 667 . 2 1 18 ILE N N 1.249 -7.407 -8.939 . . . 1.0 . . . . . . . . . . . . B . 39 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 668 . 2 1 18 ILE O O 1.032 -10.852 -9.432 . . . 1.0 . . . . . . . . . . . . B . 39 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 669 . 2 1 19 ALA C C 0.767 -11.488 -6.545 . . . 1.0 . . . . . . . . . . . . B . 40 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 670 . 2 1 19 ALA CA C 2.182 -11.036 -6.903 . . . 1.0 . . . . . . . . . . . . B . 40 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 671 . 2 1 19 ALA CB C 3.052 -10.760 -5.663 . . . 1.0 . . . . . . . . . . . . B . 40 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 672 . 2 1 19 ALA H H 2.728 -9.028 -7.475 . . . 1.0 . . . . . . . . . . . . B . 40 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 673 . 2 1 19 ALA HA H 2.726 -11.775 -7.491 . . . 1.0 . . . . . . . . . . . . B . 40 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 674 . 2 1 19 ALA HB1 H 3.133 -11.668 -5.067 . . . 1.0 . . . . . . . . . . . . B . 40 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 675 . 2 1 19 ALA HB2 H 4.044 -10.442 -5.979 . . . 1.0 . . . . . . . . . . . . B . 40 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 676 . 2 1 19 ALA HB3 H 2.592 -9.973 -5.064 . . . 1.0 . . . . . . . . . . . . B . 40 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 677 . 2 1 19 ALA N N 2.223 -9.870 -7.784 . . . 1.0 . . . . . . . . . . . . B . 40 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 678 . 2 1 19 ALA O O 0.425 -12.664 -6.671 . . . 1.0 . . . . . . . . . . . . B . 40 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 679 . 2 1 20 TRP C C -2.288 -11.412 -7.033 . . . 1.0 . . . . . . . . . . . . B . 41 TRP C . . . . . . . . . c16020_2kad 1 . 1 . 680 . 2 1 20 TRP CA C -1.510 -10.798 -5.861 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CA . . . . . . . . . c16020_2kad 1 . 1 . 681 . 2 1 20 TRP CB C -2.157 -9.465 -5.392 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CB . . . . . . . . . c16020_2kad 1 . 1 . 682 . 2 1 20 TRP CD1 C -4.129 -9.883 -3.737 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CD1 . . . . . . . . . c16020_2kad 1 . 1 . 683 . 2 1 20 TRP CD2 C -4.735 -9.264 -5.809 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CD2 . . . . . . . . . c16020_2kad 1 . 1 . 684 . 2 1 20 TRP CE2 C -5.898 -9.430 -5.030 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CE2 . . . . . . . . . c16020_2kad 1 . 1 . 685 . 2 1 20 TRP CE3 C -4.816 -8.899 -7.146 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CE3 . . . . . . . . . c16020_2kad 1 . 1 . 686 . 2 1 20 TRP CG C -3.614 -9.544 -4.959 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CG . . . . . . . . . c16020_2kad 1 . 1 . 687 . 2 1 20 TRP CH2 C -7.246 -8.866 -6.939 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CH2 . . . . . . . . . c16020_2kad 1 . 1 . 688 . 2 1 20 TRP CZ2 C -7.163 -9.224 -5.580 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CZ2 . . . . . . . . . c16020_2kad 1 . 1 . 689 . 2 1 20 TRP CZ3 C -6.087 -8.702 -7.708 . . . 1.0 . . . . . . . . . . . . B . 41 TRP CZ3 . . . . . . . . . c16020_2kad 1 . 1 . 690 . 2 1 20 TRP H H 0.231 -9.572 -6.078 . . . 1.0 . . . . . . . . . . . . B . 41 TRP H . . . . . . . . . c16020_2kad 1 . 1 . 691 . 2 1 20 TRP HA H -1.658 -11.489 -5.031 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HA . . . . . . . . . c16020_2kad 1 . 1 . 692 . 2 1 20 TRP HB2 H -1.589 -9.102 -4.535 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 693 . 2 1 20 TRP HB3 H -2.108 -8.759 -6.221 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 694 . 2 1 20 TRP HD1 H -3.535 -10.177 -2.871 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HD1 . . . . . . . . . c16020_2kad 1 . 1 . 695 . 2 1 20 TRP HE1 H -6.133 -9.981 -2.960 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HE1 . . . . . . . . . c16020_2kad 1 . 1 . 696 . 2 1 20 TRP HE3 H -3.914 -8.769 -7.745 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HE3 . . . . . . . . . c16020_2kad 1 . 1 . 697 . 2 1 20 TRP HH2 H -8.223 -8.716 -7.399 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HH2 . . . . . . . . . c16020_2kad 1 . 1 . 698 . 2 1 20 TRP HZ2 H -8.062 -9.336 -4.974 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HZ2 . . . . . . . . . c16020_2kad 1 . 1 . 699 . 2 1 20 TRP HZ3 H -6.173 -8.418 -8.757 . . . 1.0 . . . . . . . . . . . . B . 41 TRP HZ3 . . . . . . . . . c16020_2kad 1 . 1 . 700 . 2 1 20 TRP N N -0.110 -10.541 -6.162 . . . 1.0 . . . . . . . . . . . . B . 41 TRP N . . . . . . . . . c16020_2kad 1 . 1 . 701 . 2 1 20 TRP NE1 N -5.506 -9.799 -3.757 . . . 1.0 . . . . . . . . . . . . B . 41 TRP NE1 . . . . . . . . . c16020_2kad 1 . 1 . 702 . 2 1 20 TRP O O -2.967 -12.421 -6.881 . . . 1.0 . . . . . . . . . . . . B . 41 TRP O . . . . . . . . . c16020_2kad 1 . 1 . 703 . 2 1 21 ILE C C -2.265 -12.785 -9.802 . . . 1.0 . . . . . . . . . . . . B . 42 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 704 . 2 1 21 ILE CA C -2.725 -11.357 -9.493 . . . 1.0 . . . . . . . . . . . . B . 42 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 705 . 2 1 21 ILE CB C -2.415 -10.403 -10.657 . . . 1.0 . . . . . . . . . . . . B . 42 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 706 . 2 1 21 ILE CD1 C -4.690 -9.120 -10.633 . . . 1.0 . . . . . . . . . . . . B . 42 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 707 . 2 1 21 ILE CG1 C -3.161 -9.052 -10.508 . . . 1.0 . . . . . . . . . . . . B . 42 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 708 . 2 1 21 ILE CG2 C -2.703 -11.034 -12.037 . . . 1.0 . . . . . . . . . . . . B . 42 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 709 . 2 1 21 ILE H H -1.593 -9.981 -8.310 . . . 1.0 . . . . . . . . . . . . B . 42 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 710 . 2 1 21 ILE HA H -3.815 -11.382 -9.465 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 711 . 2 1 21 ILE HB H -1.372 -10.091 -10.679 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 712 . 2 1 21 ILE HD11 H -5.091 -9.776 -9.860 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 713 . 2 1 21 ILE HD12 H -5.109 -8.121 -10.513 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 714 . 2 1 21 ILE HD13 H -4.958 -9.509 -11.615 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 715 . 2 1 21 ILE HG12 H -2.937 -8.651 -9.520 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 716 . 2 1 21 ILE HG13 H -2.805 -8.383 -11.290 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 717 . 2 1 21 ILE HG21 H -2.467 -10.316 -12.822 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 718 . 2 1 21 ILE HG22 H -2.089 -11.925 -12.164 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 719 . 2 1 21 ILE HG23 H -3.756 -11.307 -12.101 . . . 1.0 . . . . . . . . . . . . B . 42 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 720 . 2 1 21 ILE N N -2.150 -10.845 -8.252 . . . 1.0 . . . . . . . . . . . . B . 42 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 721 . 2 1 21 ILE O O -3.066 -13.645 -10.162 . . . 1.0 . . . . . . . . . . . . B . 42 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 722 . 2 1 22 LEU C C -1.007 -15.447 -8.760 . . . 1.0 . . . . . . . . . . . . B . 43 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 723 . 2 1 22 LEU CA C -0.418 -14.441 -9.746 . . . 1.0 . . . . . . . . . . . . B . 43 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 724 . 2 1 22 LEU CB C 1.126 -14.381 -9.588 . . . 1.0 . . . . . . . . . . . . B . 43 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 725 . 2 1 22 LEU CD1 C 1.738 -16.162 -11.325 . . . 1.0 . . . . . . . . . . . . B . 43 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 726 . 2 1 22 LEU CD2 C 3.384 -15.499 -9.547 . . . 1.0 . . . . . . . . . . . . B . 43 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 727 . 2 1 22 LEU CG C 1.894 -15.690 -9.872 . . . 1.0 . . . . . . . . . . . . B . 43 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 728 . 2 1 22 LEU H H -0.323 -12.346 -9.332 . . . 1.0 . . . . . . . . . . . . B . 43 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 729 . 2 1 22 LEU HA H -0.583 -14.875 -10.732 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 730 . 2 1 22 LEU HB2 H 1.503 -13.634 -10.288 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 731 . 2 1 22 LEU HB3 H 1.346 -14.101 -8.558 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 732 . 2 1 22 LEU HD11 H 2.298 -17.086 -11.470 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 733 . 2 1 22 LEU HD12 H 0.683 -16.339 -11.538 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 734 . 2 1 22 LEU HD13 H 2.120 -15.395 -11.999 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 735 . 2 1 22 LEU HD21 H 3.496 -15.237 -8.496 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 736 . 2 1 22 LEU HD22 H 3.922 -16.425 -9.748 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 737 . 2 1 22 LEU HD23 H 3.792 -14.701 -10.166 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 738 . 2 1 22 LEU HG H 1.558 -16.516 -9.245 . . . 1.0 . . . . . . . . . . . . B . 43 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 739 . 2 1 22 LEU N N -0.967 -13.103 -9.603 . . . 1.0 . . . . . . . . . . . . B . 43 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 740 . 2 1 22 LEU O O -1.302 -16.589 -9.112 . . . 1.0 . . . . . . . . . . . . B . 43 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 741 . 2 1 23 ASP C C -3.391 -16.145 -6.856 . . . 1.0 . . . . . . . . . . . . B . 44 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 742 . 2 1 23 ASP CA C -1.936 -15.851 -6.513 . . . 1.0 . . . . . . . . . . . . B . 44 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 743 . 2 1 23 ASP CB C -1.924 -15.210 -5.099 . . . 1.0 . . . . . . . . . . . . B . 44 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 744 . 2 1 23 ASP CG C -0.531 -15.069 -4.521 . . . 1.0 . . . . . . . . . . . . B . 44 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 745 . 2 1 23 ASP H H -0.940 -14.081 -7.230 . . . 1.0 . . . . . . . . . . . . B . 44 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 746 . 2 1 23 ASP HA H -1.412 -16.803 -6.437 . . . 1.0 . . . . . . . . . . . . B . 44 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 747 . 2 1 23 ASP HB2 H -2.352 -14.207 -5.078 . . . 1.0 . . . . . . . . . . . . B . 44 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 748 . 2 1 23 ASP HB3 H -2.489 -15.785 -4.364 . . . 1.0 . . . . . . . . . . . . B . 44 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 749 . 2 1 23 ASP HD2 H 1.032 -16.162 -3.994 . . . 1.0 . . . . . . . . . . . . B . 44 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 750 . 2 1 23 ASP N N -1.250 -15.025 -7.504 . . . 1.0 . . . . . . . . . . . . B . 44 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 751 . 2 1 23 ASP O O -3.853 -17.261 -6.643 . . . 1.0 . . . . . . . . . . . . B . 44 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 752 . 2 1 23 ASP OD1 O -0.048 -14.054 -4.074 . . . 1.0 . . . . . . . . . . . . B . 44 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 753 . 2 1 23 ASP OD2 O 0.121 -16.284 -4.459 . . . 1.0 . . . . . . . . . . . . B . 44 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 754 . 2 1 24 ARG C C -5.681 -16.261 -8.988 . . . 1.0 . . . . . . . . . . . . B . 45 ARG C . . . . . . . . . c16020_2kad 1 . 1 . 755 . 2 1 24 ARG CA C -5.529 -15.329 -7.789 . . . 1.0 . . . . . . . . . . . . B . 45 ARG CA . . . . . . . . . c16020_2kad 1 . 1 . 756 . 2 1 24 ARG CB C -6.153 -13.947 -8.131 . . . 1.0 . . . . . . . . . . . . B . 45 ARG CB . . . . . . . . . c16020_2kad 1 . 1 . 757 . 2 1 24 ARG CD C -7.647 -13.582 -6.070 . . . 1.0 . . . . . . . . . . . . B . 45 ARG CD . . . . . . . . . c16020_2kad 1 . 1 . 758 . 2 1 24 ARG CG C -6.472 -13.066 -6.902 . . . 1.0 . . . . . . . . . . . . B . 45 ARG CG . . . . . . . . . c16020_2kad 1 . 1 . 759 . 2 1 24 ARG CZ C -8.858 -12.733 -4.039 . . . 1.0 . . . . . . . . . . . . B . 45 ARG CZ . . . . . . . . . c16020_2kad 1 . 1 . 760 . 2 1 24 ARG H H -3.708 -14.229 -7.512 . . . 1.0 . . . . . . . . . . . . B . 45 ARG H . . . . . . . . . c16020_2kad 1 . 1 . 761 . 2 1 24 ARG HA H -6.146 -15.752 -6.996 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HA . . . . . . . . . c16020_2kad 1 . 1 . 762 . 2 1 24 ARG HB2 H -5.448 -13.398 -8.755 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HB2 . . . . . . . . . c16020_2kad 1 . 1 . 763 . 2 1 24 ARG HB3 H -7.088 -14.118 -8.665 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HB3 . . . . . . . . . c16020_2kad 1 . 1 . 764 . 2 1 24 ARG HD2 H -8.518 -13.651 -6.723 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HD2 . . . . . . . . . c16020_2kad 1 . 1 . 765 . 2 1 24 ARG HD3 H -7.377 -14.563 -5.677 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HD3 . . . . . . . . . c16020_2kad 1 . 1 . 766 . 2 1 24 ARG HG2 H -5.642 -12.981 -6.200 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HG2 . . . . . . . . . c16020_2kad 1 . 1 . 767 . 2 1 24 ARG HG3 H -6.734 -12.040 -7.159 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HG3 . . . . . . . . . c16020_2kad 1 . 1 . 768 . 2 1 24 ARG HH11 H -9.628 -14.464 -4.800 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HH11 . . . . . . . . . c16020_2kad 1 . 1 . 769 . 2 1 24 ARG HH12 H -10.440 -13.822 -3.347 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HH12 . . . . . . . . . c16020_2kad 1 . 1 . 770 . 2 1 24 ARG HH21 H -8.263 -11.010 -3.118 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HH21 . . . . . . . . . c16020_2kad 1 . 1 . 771 . 2 1 24 ARG HH22 H -9.659 -11.843 -2.384 . . . 1.0 . . . . . . . . . . . . B . 45 ARG HH22 . . . . . . . . . c16020_2kad 1 . 1 . 772 . 2 1 24 ARG N N -4.141 -15.155 -7.386 . . . 1.0 . . . . . . . . . . . . B . 45 ARG N . . . . . . . . . c16020_2kad 1 . 1 . 773 . 2 1 24 ARG NE N -7.890 -12.609 -4.958 . . . 1.0 . . . . . . . . . . . . B . 45 ARG NE . . . . . . . . . c16020_2kad 1 . 1 . 774 . 2 1 24 ARG NH1 N -9.705 -13.747 -4.064 . . . 1.0 . . . . . . . . . . . . B . 45 ARG NH1 . . . . . . . . . c16020_2kad 1 . 1 . 775 . 2 1 24 ARG NH2 N -8.933 -11.792 -3.112 . . . 1.0 . . . . . . . . . . . . B . 45 ARG NH2 . . . . . . . . . c16020_2kad 1 . 1 . 776 . 2 1 24 ARG O O -6.650 -17.006 -9.089 . . . 1.0 . . . . . . . . . . . . B . 45 ARG O . . . . . . . . . c16020_2kad 1 . 1 . 777 . 2 1 25 LEU C C -4.379 -18.565 -10.691 . . . 1.0 . . . . . . . . . . . . B . 46 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 778 . 2 1 25 LEU CA C -4.667 -17.119 -11.071 . . . 1.0 . . . . . . . . . . . . B . 46 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 779 . 2 1 25 LEU CB C -3.567 -16.603 -12.038 . . . 1.0 . . . . . . . . . . . . B . 46 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 780 . 2 1 25 LEU CD1 C -4.752 -17.124 -14.258 . . . 1.0 . . . . . . . . . . . . B . 46 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 781 . 2 1 25 LEU CD2 C -2.266 -16.763 -14.192 . . . 1.0 . . . . . . . . . . . . B . 46 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 782 . 2 1 25 LEU CG C -3.475 -17.301 -13.414 . . . 1.0 . . . . . . . . . . . . B . 46 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 783 . 2 1 25 LEU H H -3.937 -15.565 -9.802 . . . 1.0 . . . . . . . . . . . . B . 46 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 784 . 2 1 25 LEU HA H -5.612 -17.127 -11.616 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 785 . 2 1 25 LEU HB2 H -3.762 -15.549 -12.230 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 786 . 2 1 25 LEU HB3 H -2.603 -16.743 -11.547 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 787 . 2 1 25 LEU HD11 H -4.630 -17.634 -15.213 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 788 . 2 1 25 LEU HD12 H -5.603 -17.550 -13.725 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 789 . 2 1 25 LEU HD13 H -4.928 -16.062 -14.433 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 790 . 2 1 25 LEU HD21 H -1.354 -16.960 -13.628 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 791 . 2 1 25 LEU HD22 H -2.207 -17.259 -15.161 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 792 . 2 1 25 LEU HD23 H -2.377 -15.690 -14.340 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 793 . 2 1 25 LEU HG H -3.316 -18.376 -13.332 . . . 1.0 . . . . . . . . . . . . B . 46 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 794 . 2 1 25 LEU N N -4.704 -16.243 -9.918 . . . 1.0 . . . . . . . . . . . . B . 46 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 795 . 2 1 25 LEU O O -5.002 -19.499 -11.206 . . . 1.0 . . . . . . . . . . . . B . 46 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 796 . 2 1 25 LEU OXT O -3.607 -18.779 -9.952 . . . 1.0 . . . . . . . . . . . . B . 46 LEU OXT . . . . . . . . . c16020_2kad 1 . 1 . 797 . 3 1 1 SER C C 9.506 2.871 -21.973 . . . 1.0 . . . . . . . . . . . . C . 22 SER C . . . . . . . . . c16020_2kad 1 . 1 . 798 . 3 1 1 SER CA C 9.602 2.544 -23.460 . . . 1.0 . . . . . . . . . . . . C . 22 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 799 . 3 1 1 SER CB C 9.687 3.843 -24.325 . . . 1.0 . . . . . . . . . . . . C . 22 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 800 . 3 1 1 SER H1 H 7.721 1.651 -23.233 . . . 1.0 . . . . . . . . . . . . C . 22 SER H1 . . . . . . . . . c16020_2kad 1 . 1 . 801 . 3 1 1 SER H2 H 8.073 2.092 -24.818 . . . 1.0 . . . . . . . . . . . . C . 22 SER H2 . . . . . . . . . c16020_2kad 1 . 1 . 802 . 3 1 1 SER HA H 10.576 2.074 -23.595 . . . 1.0 . . . . . . . . . . . . C . 22 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 803 . 3 1 1 SER HB2 H 8.696 4.264 -24.493 . . . 1.0 . . . . . . . . . . . . C . 22 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 804 . 3 1 1 SER HB3 H 10.295 4.600 -23.831 . . . 1.0 . . . . . . . . . . . . C . 22 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 805 . 3 1 1 SER HG H 10.387 4.450 -26.122 . . . 1.0 . . . . . . . . . . . . C . 22 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 806 . 3 1 1 SER N N 8.457 1.687 -23.953 . . . 1.0 . . . . . . . . . . . . C . 22 SER N . . . . . . . . . c16020_2kad 1 . 1 . 807 . 3 1 1 SER O O 8.618 2.418 -21.254 . . . 1.0 . . . . . . . . . . . . C . 22 SER O . . . . . . . . . c16020_2kad 1 . 1 . 808 . 3 1 1 SER OG O 10.272 3.568 -25.600 . . . 1.0 . . . . . . . . . . . . C . 22 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 809 . 3 1 2 SER C C 9.289 4.749 -19.476 . . . 1.0 . . . . . . . . . . . . C . 23 SER C . . . . . . . . . c16020_2kad 1 . 1 . 810 . 3 1 2 SER CA C 10.484 3.951 -19.988 . . . 1.0 . . . . . . . . . . . . C . 23 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 811 . 3 1 2 SER CB C 11.790 4.672 -19.575 . . . 1.0 . . . . . . . . . . . . C . 23 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 812 . 3 1 2 SER H H 11.149 4.116 -22.039 . . . 1.0 . . . . . . . . . . . . C . 23 SER H . . . . . . . . . c16020_2kad 1 . 1 . 813 . 3 1 2 SER HA H 10.499 2.997 -19.460 . . . 1.0 . . . . . . . . . . . . C . 23 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 814 . 3 1 2 SER HB2 H 11.938 5.566 -20.181 . . . 1.0 . . . . . . . . . . . . C . 23 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 815 . 3 1 2 SER HB3 H 11.747 4.967 -18.528 . . . 1.0 . . . . . . . . . . . . C . 23 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 816 . 3 1 2 SER HG H 13.253 3.890 -20.727 . . . 1.0 . . . . . . . . . . . . C . 23 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 817 . 3 1 2 SER N N 10.445 3.680 -21.427 . . . 1.0 . . . . . . . . . . . . C . 23 SER N . . . . . . . . . c16020_2kad 1 . 1 . 818 . 3 1 2 SER O O 8.901 4.645 -18.317 . . . 1.0 . . . . . . . . . . . . C . 23 SER O . . . . . . . . . c16020_2kad 1 . 1 . 819 . 3 1 2 SER OG O 12.913 3.811 -19.758 . . . 1.0 . . . . . . . . . . . . C . 23 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 820 . 3 1 3 ASP C C 6.186 5.367 -20.233 . . . 1.0 . . . . . . . . . . . . C . 24 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 821 . 3 1 3 ASP CA C 7.443 6.283 -20.095 . . . 1.0 . . . . . . . . . . . . C . 24 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 822 . 3 1 3 ASP CB C 7.473 7.591 -20.935 . . . 1.0 . . . . . . . . . . . . C . 24 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 823 . 3 1 3 ASP CG C 6.213 8.416 -20.790 . . . 1.0 . . . . . . . . . . . . C . 24 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 824 . 3 1 3 ASP H H 9.071 5.641 -21.300 . . . 1.0 . . . . . . . . . . . . C . 24 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 825 . 3 1 3 ASP HA H 7.443 6.692 -19.084 . . . 1.0 . . . . . . . . . . . . C . 24 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 826 . 3 1 3 ASP HB2 H 8.295 8.255 -20.661 . . . 1.0 . . . . . . . . . . . . C . 24 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 827 . 3 1 3 ASP HB3 H 7.585 7.408 -22.003 . . . 1.0 . . . . . . . . . . . . C . 24 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 828 . 3 1 3 ASP HD2 H 5.317 9.727 -19.637 . . . 1.0 . . . . . . . . . . . . C . 24 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 829 . 3 1 3 ASP N N 8.656 5.550 -20.362 . . . 1.0 . . . . . . . . . . . . C . 24 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 830 . 3 1 3 ASP O O 5.412 5.303 -19.275 . . . 1.0 . . . . . . . . . . . . C . 24 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 831 . 3 1 3 ASP OD1 O 5.310 8.461 -21.604 . . . 1.0 . . . . . . . . . . . . C . 24 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 832 . 3 1 3 ASP OD2 O 6.182 9.168 -19.657 . . . 1.0 . . . . . . . . . . . . C . 24 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 833 . 3 1 4 PRO C C 4.711 2.576 -20.355 . . . 1.0 . . . . . . . . . . . . C . 25 PRO C . . . . . . . . . c16020_2kad 1 . 1 . 834 . 3 1 4 PRO CA C 4.765 3.705 -21.376 . . . 1.0 . . . . . . . . . . . . C . 25 PRO CA . . . . . . . . . c16020_2kad 1 . 1 . 835 . 3 1 4 PRO CB C 4.900 3.122 -22.792 . . . 1.0 . . . . . . . . . . . . C . 25 PRO CB . . . . . . . . . c16020_2kad 1 . 1 . 836 . 3 1 4 PRO CD C 6.322 5.019 -22.670 . . . 1.0 . . . . . . . . . . . . C . 25 PRO CD . . . . . . . . . c16020_2kad 1 . 1 . 837 . 3 1 4 PRO CG C 5.356 4.320 -23.619 . . . 1.0 . . . . . . . . . . . . C . 25 PRO CG . . . . . . . . . c16020_2kad 1 . 1 . 838 . 3 1 4 PRO HA H 3.861 4.298 -21.232 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HA . . . . . . . . . c16020_2kad 1 . 1 . 839 . 3 1 4 PRO HB2 H 5.630 2.312 -22.814 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HB2 . . . . . . . . . c16020_2kad 1 . 1 . 840 . 3 1 4 PRO HB3 H 3.949 2.723 -23.145 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HB3 . . . . . . . . . c16020_2kad 1 . 1 . 841 . 3 1 4 PRO HD2 H 7.350 4.672 -22.779 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HD2 . . . . . . . . . c16020_2kad 1 . 1 . 842 . 3 1 4 PRO HD3 H 6.236 6.105 -22.701 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HD3 . . . . . . . . . c16020_2kad 1 . 1 . 843 . 3 1 4 PRO HG2 H 5.841 4.003 -24.542 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HG2 . . . . . . . . . c16020_2kad 1 . 1 . 844 . 3 1 4 PRO HG3 H 4.513 4.956 -23.891 . . . 1.0 . . . . . . . . . . . . C . 25 PRO HG3 . . . . . . . . . c16020_2kad 1 . 1 . 845 . 3 1 4 PRO N N 5.908 4.623 -21.315 . . . 1.0 . . . . . . . . . . . . C . 25 PRO N . . . . . . . . . c16020_2kad 1 . 1 . 846 . 3 1 4 PRO O O 3.614 2.194 -19.949 . . . 1.0 . . . . . . . . . . . . C . 25 PRO O . . . . . . . . . c16020_2kad 1 . 1 . 847 . 3 1 5 LEU C C 5.340 1.421 -17.555 . . . 1.0 . . . . . . . . . . . . C . 26 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 848 . 3 1 5 LEU CA C 5.889 0.968 -18.907 . . . 1.0 . . . . . . . . . . . . C . 26 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 849 . 3 1 5 LEU CB C 7.315 0.390 -18.706 . . . 1.0 . . . . . . . . . . . . C . 26 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 850 . 3 1 5 LEU CD1 C 9.347 -0.729 -19.671 . . . 1.0 . . . . . . . . . . . . C . 26 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 851 . 3 1 5 LEU CD2 C 7.070 -1.571 -20.329 . . . 1.0 . . . . . . . . . . . . C . 26 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 852 . 3 1 5 LEU CG C 7.889 -0.337 -19.936 . . . 1.0 . . . . . . . . . . . . C . 26 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 853 . 3 1 5 LEU H H 6.754 2.381 -20.286 . . . 1.0 . . . . . . . . . . . . C . 26 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 854 . 3 1 5 LEU HA H 5.297 0.102 -19.202 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 855 . 3 1 5 LEU HB2 H 7.987 1.213 -18.465 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 856 . 3 1 5 LEU HB3 H 7.278 -0.328 -17.886 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 857 . 3 1 5 LEU HD11 H 9.750 -1.243 -20.544 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 858 . 3 1 5 LEU HD12 H 9.936 0.167 -19.474 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 859 . 3 1 5 LEU HD13 H 9.394 -1.392 -18.808 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 860 . 3 1 5 LEU HD21 H 6.049 -1.270 -20.566 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 861 . 3 1 5 LEU HD22 H 7.520 -2.043 -21.202 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 862 . 3 1 5 LEU HD23 H 7.057 -2.278 -19.501 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 863 . 3 1 5 LEU HG H 7.848 0.321 -20.804 . . . 1.0 . . . . . . . . . . . . C . 26 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 864 . 3 1 5 LEU N N 5.862 2.033 -19.908 . . . 1.0 . . . . . . . . . . . . C . 26 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 865 . 3 1 5 LEU O O 4.633 0.681 -16.874 . . . 1.0 . . . . . . . . . . . . C . 26 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 866 . 3 1 6 VAL C C 3.623 3.342 -15.810 . . . 1.0 . . . . . . . . . . . . C . 27 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 867 . 3 1 6 VAL CA C 5.150 3.219 -15.857 . . . 1.0 . . . . . . . . . . . . C . 27 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 868 . 3 1 6 VAL CB C 5.896 4.503 -15.454 . . . 1.0 . . . . . . . . . . . . C . 27 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 869 . 3 1 6 VAL CG1 C 5.151 5.351 -14.401 . . . 1.0 . . . . . . . . . . . . C . 27 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 870 . 3 1 6 VAL CG2 C 7.327 4.171 -14.985 . . . 1.0 . . . . . . . . . . . . C . 27 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 871 . 3 1 6 VAL H H 6.225 3.268 -17.728 . . . 1.0 . . . . . . . . . . . . C . 27 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 872 . 3 1 6 VAL HA H 5.430 2.603 -15.002 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 873 . 3 1 6 VAL HB H 6.077 5.186 -16.284 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 874 . 3 1 6 VAL HG11 H 5.737 6.239 -14.167 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 875 . 3 1 6 VAL HG12 H 4.180 5.651 -14.796 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 876 . 3 1 6 VAL HG13 H 5.007 4.762 -13.495 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 877 . 3 1 6 VAL HG21 H 7.870 3.684 -15.794 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 878 . 3 1 6 VAL HG22 H 7.840 5.090 -14.703 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 879 . 3 1 6 VAL HG23 H 7.281 3.501 -14.125 . . . 1.0 . . . . . . . . . . . . C . 27 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 880 . 3 1 6 VAL N N 5.633 2.671 -17.130 . . . 1.0 . . . . . . . . . . . . C . 27 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 881 . 3 1 6 VAL O O 2.960 2.990 -14.827 . . . 1.0 . . . . . . . . . . . . C . 27 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 882 . 3 1 7 VAL C C 0.950 2.403 -17.164 . . . 1.0 . . . . . . . . . . . . C . 28 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 883 . 3 1 7 VAL CA C 1.570 3.805 -17.155 . . . 1.0 . . . . . . . . . . . . C . 28 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 884 . 3 1 7 VAL CB C 1.233 4.607 -18.413 . . . 1.0 . . . . . . . . . . . . C . 28 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 885 . 3 1 7 VAL CG1 C -0.171 4.288 -18.961 . . . 1.0 . . . . . . . . . . . . C . 28 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 886 . 3 1 7 VAL CG2 C 1.316 6.105 -18.047 . . . 1.0 . . . . . . . . . . . . C . 28 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 887 . 3 1 7 VAL H H 3.611 4.097 -17.709 . . . 1.0 . . . . . . . . . . . . C . 28 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 888 . 3 1 7 VAL HA H 1.050 4.369 -16.380 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 889 . 3 1 7 VAL HB H 1.929 4.415 -19.231 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 890 . 3 1 7 VAL HG11 H -0.357 4.886 -19.854 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 891 . 3 1 7 VAL HG12 H -0.232 3.230 -19.212 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 892 . 3 1 7 VAL HG13 H -0.919 4.525 -18.204 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 893 . 3 1 7 VAL HG21 H 2.322 6.343 -17.703 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 894 . 3 1 7 VAL HG22 H 1.081 6.708 -18.925 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 895 . 3 1 7 VAL HG23 H 0.600 6.326 -17.254 . . . 1.0 . . . . . . . . . . . . C . 28 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 896 . 3 1 7 VAL N N 3.009 3.770 -16.939 . . . 1.0 . . . . . . . . . . . . C . 28 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 897 . 3 1 7 VAL O O -0.092 2.178 -16.551 . . . 1.0 . . . . . . . . . . . . C . 28 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 898 . 3 1 8 ALA C C 1.081 -0.623 -16.437 . . . 1.0 . . . . . . . . . . . . C . 29 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 899 . 3 1 8 ALA CA C 1.159 0.028 -17.815 . . . 1.0 . . . . . . . . . . . . C . 29 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 900 . 3 1 8 ALA CB C 2.075 -0.809 -18.733 . . . 1.0 . . . . . . . . . . . . C . 29 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 901 . 3 1 8 ALA H H 2.471 1.648 -18.313 . . . 1.0 . . . . . . . . . . . . C . 29 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 902 . 3 1 8 ALA HA H 0.161 -0.005 -18.252 . . . 1.0 . . . . . . . . . . . . C . 29 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 903 . 3 1 8 ALA HB1 H 3.099 -0.764 -18.363 . . . 1.0 . . . . . . . . . . . . C . 29 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 904 . 3 1 8 ALA HB2 H 1.736 -1.845 -18.738 . . . 1.0 . . . . . . . . . . . . C . 29 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 905 . 3 1 8 ALA HB3 H 2.037 -0.410 -19.746 . . . 1.0 . . . . . . . . . . . . C . 29 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 906 . 3 1 8 ALA N N 1.607 1.411 -17.804 . . . 1.0 . . . . . . . . . . . . C . 29 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 907 . 3 1 8 ALA O O 0.140 -1.361 -16.145 . . . 1.0 . . . . . . . . . . . . C . 29 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 908 . 3 1 9 ALA C C 0.944 -0.165 -13.325 . . . 1.0 . . . . . . . . . . . . C . 30 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 909 . 3 1 9 ALA CA C 2.053 -0.793 -14.168 . . . 1.0 . . . . . . . . . . . . C . 30 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 910 . 3 1 9 ALA CB C 3.458 -0.524 -13.602 . . . 1.0 . . . . . . . . . . . . C . 30 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 911 . 3 1 9 ALA H H 2.814 0.281 -15.848 . . . 1.0 . . . . . . . . . . . . C . 30 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 912 . 3 1 9 ALA HA H 1.869 -1.884 -14.193 . . . 1.0 . . . . . . . . . . . . C . 30 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 913 . 3 1 9 ALA HB1 H 3.565 -0.902 -12.568 . . . 1.0 . . . . . . . . . . . . C . 30 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 914 . 3 1 9 ALA HB2 H 4.246 -1.018 -14.203 . . . 1.0 . . . . . . . . . . . . C . 30 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 915 . 3 1 9 ALA HB3 H 3.699 0.557 -13.580 . . . 1.0 . . . . . . . . . . . . C . 30 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 916 . 3 1 9 ALA N N 2.038 -0.324 -15.539 . . . 1.0 . . . . . . . . . . . . C . 30 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 917 . 3 1 9 ALA O O 0.330 -0.819 -12.479 . . . 1.0 . . . . . . . . . . . . C . 30 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 918 . 3 1 10 SER C C -1.839 1.286 -13.283 . . . 1.0 . . . . . . . . . . . . C . 31 SER C . . . . . . . . . c16020_2kad 1 . 1 . 919 . 3 1 10 SER CA C -0.453 1.843 -12.946 . . . 1.0 . . . . . . . . . . . . C . 31 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 920 . 3 1 10 SER CB C -0.431 3.354 -13.282 . . . 1.0 . . . . . . . . . . . . C . 31 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 921 . 3 1 10 SER H H 1.196 1.621 -14.289 . . . 1.0 . . . . . . . . . . . . C . 31 SER H . . . . . . . . . c16020_2kad 1 . 1 . 922 . 3 1 10 SER HA H -0.396 1.832 -11.858 . . . 1.0 . . . . . . . . . . . . C . 31 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 923 . 3 1 10 SER HB2 H -0.618 3.518 -14.345 . . . 1.0 . . . . . . . . . . . . C . 31 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 924 . 3 1 10 SER HB3 H -1.195 3.889 -12.718 . . . 1.0 . . . . . . . . . . . . C . 31 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 925 . 3 1 10 SER HG H 1.520 3.178 -12.770 . . . 1.0 . . . . . . . . . . . . C . 31 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 926 . 3 1 10 SER N N 0.631 1.120 -13.589 . . . 1.0 . . . . . . . . . . . . C . 31 SER N . . . . . . . . . c16020_2kad 1 . 1 . 927 . 3 1 10 SER O O -2.697 1.144 -12.417 . . . 1.0 . . . . . . . . . . . . C . 31 SER O . . . . . . . . . c16020_2kad 1 . 1 . 928 . 3 1 10 SER OG O 0.840 3.929 -12.962 . . . 1.0 . . . . . . . . . . . . C . 31 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 929 . 3 1 11 ILE C C -3.590 -1.067 -14.337 . . . 1.0 . . . . . . . . . . . . C . 32 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 930 . 3 1 11 ILE CA C -3.314 0.276 -15.031 . . . 1.0 . . . . . . . . . . . . C . 32 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 931 . 3 1 11 ILE CB C -3.264 0.132 -16.554 . . . 1.0 . . . . . . . . . . . . C . 32 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 932 . 3 1 11 ILE CD1 C -2.792 1.526 -18.685 . . . 1.0 . . . . . . . . . . . . C . 32 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 933 . 3 1 11 ILE CG1 C -3.245 1.532 -17.218 . . . 1.0 . . . . . . . . . . . . C . 32 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 934 . 3 1 11 ILE CG2 C -4.436 -0.719 -17.095 . . . 1.0 . . . . . . . . . . . . C . 32 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 935 . 3 1 11 ILE H H -1.315 1.045 -15.245 . . . 1.0 . . . . . . . . . . . . C . 32 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 936 . 3 1 11 ILE HA H -4.181 0.910 -14.847 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 937 . 3 1 11 ILE HB H -2.346 -0.351 -16.889 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 938 . 3 1 11 ILE HD11 H -3.466 0.903 -19.272 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 939 . 3 1 11 ILE HD12 H -2.807 2.543 -19.075 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 940 . 3 1 11 ILE HD13 H -1.779 1.126 -18.751 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 941 . 3 1 11 ILE HG12 H -4.254 1.941 -17.185 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 942 . 3 1 11 ILE HG13 H -2.556 2.167 -16.661 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 943 . 3 1 11 ILE HG21 H -4.361 -0.794 -18.180 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 944 . 3 1 11 ILE HG22 H -4.395 -1.717 -16.657 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 945 . 3 1 11 ILE HG23 H -5.383 -0.246 -16.829 . . . 1.0 . . . . . . . . . . . . C . 32 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 946 . 3 1 11 ILE N N -2.067 0.897 -14.557 . . . 1.0 . . . . . . . . . . . . C . 32 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 947 . 3 1 11 ILE O O -4.712 -1.374 -13.942 . . . 1.0 . . . . . . . . . . . . C . 32 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 948 . 3 1 12 ILE C C -3.061 -2.931 -11.968 . . . 1.0 . . . . . . . . . . . . C . 33 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 949 . 3 1 12 ILE CA C -2.619 -3.121 -13.430 . . . 1.0 . . . . . . . . . . . . C . 33 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 950 . 3 1 12 ILE CB C -1.354 -3.984 -13.540 . . . 1.0 . . . . . . . . . . . . C . 33 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 951 . 3 1 12 ILE CD1 C 0.004 -5.399 -15.202 . . . 1.0 . . . . . . . . . . . . C . 33 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 952 . 3 1 12 ILE CG1 C -1.352 -4.766 -14.878 . . . 1.0 . . . . . . . . . . . . C . 33 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 953 . 3 1 12 ILE CG2 C -1.270 -4.986 -12.363 . . . 1.0 . . . . . . . . . . . . C . 33 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 954 . 3 1 12 ILE H H -1.589 -1.544 -14.539 . . . 1.0 . . . . . . . . . . . . C . 33 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 955 . 3 1 12 ILE HA H -3.346 -3.799 -13.878 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 956 . 3 1 12 ILE HB H -0.459 -3.363 -13.522 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 957 . 3 1 12 ILE HD11 H 0.278 -6.097 -14.411 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 958 . 3 1 12 ILE HD12 H -0.062 -5.933 -16.150 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 959 . 3 1 12 ILE HD13 H 0.761 -4.619 -15.275 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 960 . 3 1 12 ILE HG12 H -2.070 -5.587 -14.894 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 961 . 3 1 12 ILE HG13 H -1.599 -4.144 -15.737 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 962 . 3 1 12 ILE HG21 H -0.366 -5.588 -12.461 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 963 . 3 1 12 ILE HG22 H -1.241 -4.440 -11.420 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 964 . 3 1 12 ILE HG23 H -2.143 -5.638 -12.377 . . . 1.0 . . . . . . . . . . . . C . 33 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 965 . 3 1 12 ILE N N -2.501 -1.843 -14.162 . . . 1.0 . . . . . . . . . . . . C . 33 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 966 . 3 1 12 ILE O O -3.945 -3.633 -11.467 . . . 1.0 . . . . . . . . . . . . C . 33 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 967 . 3 1 13 GLY C C -4.340 -1.157 -9.738 . . . 1.0 . . . . . . . . . . . . C . 34 GLY C . . . . . . . . . c16020_2kad 1 . 1 . 968 . 3 1 13 GLY CA C -2.886 -1.549 -9.907 . . . 1.0 . . . . . . . . . . . . C . 34 GLY CA . . . . . . . . . c16020_2kad 1 . 1 . 969 . 3 1 13 GLY H H -1.751 -1.376 -11.730 . . . 1.0 . . . . . . . . . . . . C . 34 GLY H . . . . . . . . . c16020_2kad 1 . 1 . 970 . 3 1 13 GLY HA2 H -2.702 -2.404 -9.258 . . . 1.0 . . . . . . . . . . . . C . 34 GLY HA2 . . . . . . . . . c16020_2kad 1 . 1 . 971 . 3 1 13 GLY HA3 H -2.283 -0.695 -9.602 . . . 1.0 . . . . . . . . . . . . C . 34 GLY HA3 . . . . . . . . . c16020_2kad 1 . 1 . 972 . 3 1 13 GLY N N -2.497 -1.919 -11.274 . . . 1.0 . . . . . . . . . . . . C . 34 GLY N . . . . . . . . . c16020_2kad 1 . 1 . 973 . 3 1 13 GLY O O -4.989 -1.516 -8.761 . . . 1.0 . . . . . . . . . . . . C . 34 GLY O . . . . . . . . . c16020_2kad 1 . 1 . 974 . 3 1 14 ILE C C -7.231 -1.245 -10.933 . . . 1.0 . . . . . . . . . . . . C . 35 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 975 . 3 1 14 ILE CA C -6.303 -0.045 -10.744 . . . 1.0 . . . . . . . . . . . . C . 35 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 976 . 3 1 14 ILE CB C -6.561 1.048 -11.791 . . . 1.0 . . . . . . . . . . . . C . 35 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 977 . 3 1 14 ILE CD1 C -6.424 2.998 -10.049 . . . 1.0 . . . . . . . . . . . . C . 35 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 978 . 3 1 14 ILE CG1 C -5.924 2.403 -11.373 . . . 1.0 . . . . . . . . . . . . C . 35 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 979 . 3 1 14 ILE CG2 C -8.056 1.229 -12.131 . . . 1.0 . . . . . . . . . . . . C . 35 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 980 . 3 1 14 ILE H H -4.293 -0.114 -11.503 . . . 1.0 . . . . . . . . . . . . C . 35 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 981 . 3 1 14 ILE HA H -6.620 0.439 -9.820 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 982 . 3 1 14 ILE HB H -6.071 0.857 -12.746 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 983 . 3 1 14 ILE HD11 H -6.215 2.302 -9.237 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 984 . 3 1 14 ILE HD12 H -5.913 3.943 -9.858 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 985 . 3 1 14 ILE HD13 H -7.498 3.173 -10.111 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 986 . 3 1 14 ILE HG12 H -4.850 2.251 -11.272 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 987 . 3 1 14 ILE HG13 H -6.143 3.130 -12.155 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 988 . 3 1 14 ILE HG21 H -8.166 2.016 -12.876 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 989 . 3 1 14 ILE HG22 H -8.456 0.296 -12.527 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 990 . 3 1 14 ILE HG23 H -8.604 1.505 -11.230 . . . 1.0 . . . . . . . . . . . . C . 35 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 991 . 3 1 14 ILE N N -4.894 -0.422 -10.725 . . . 1.0 . . . . . . . . . . . . C . 35 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 992 . 3 1 14 ILE O O -8.221 -1.390 -10.225 . . . 1.0 . . . . . . . . . . . . C . 35 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 993 . 3 1 15 LEU C C -7.695 -4.315 -10.848 . . . 1.0 . . . . . . . . . . . . C . 36 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 994 . 3 1 15 LEU CA C -7.657 -3.416 -12.073 . . . 1.0 . . . . . . . . . . . . C . 36 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 995 . 3 1 15 LEU CB C -7.077 -4.232 -13.259 . . . 1.0 . . . . . . . . . . . . C . 36 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 996 . 3 1 15 LEU CD1 C -6.467 -4.355 -15.718 . . . 1.0 . . . . . . . . . . . . C . 36 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 997 . 3 1 15 LEU CD2 C -8.668 -3.334 -15.021 . . . 1.0 . . . . . . . . . . . . C . 36 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 998 . 3 1 15 LEU CG C -7.195 -3.548 -14.635 . . . 1.0 . . . . . . . . . . . . C . 36 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 999 . 3 1 15 LEU H H -6.074 -2.010 -12.444 . . . 1.0 . . . . . . . . . . . . C . 36 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1000 . 3 1 15 LEU HA H -8.701 -3.241 -12.339 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1001 . 3 1 15 LEU HB2 H -6.018 -4.401 -13.066 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1002 . 3 1 15 LEU HB3 H -7.615 -5.178 -13.316 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1003 . 3 1 15 LEU HD11 H -6.566 -3.849 -16.679 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1004 . 3 1 15 LEU HD12 H -5.410 -4.439 -15.461 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1005 . 3 1 15 LEU HD13 H -6.904 -5.351 -15.786 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1006 . 3 1 15 LEU HD21 H -9.151 -2.703 -14.274 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1007 . 3 1 15 LEU HD22 H -8.722 -2.850 -15.995 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1008 . 3 1 15 LEU HD23 H -9.177 -4.298 -15.065 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1009 . 3 1 15 LEU HG H -6.760 -2.549 -14.616 . . . 1.0 . . . . . . . . . . . . C . 36 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1010 . 3 1 15 LEU N N -6.903 -2.181 -11.857 . . . 1.0 . . . . . . . . . . . . C . 36 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1011 . 3 1 15 LEU O O -8.739 -4.862 -10.509 . . . 1.0 . . . . . . . . . . . . C . 36 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1012 . 3 1 16 HIS C C -7.330 -4.614 -7.767 . . . 1.0 . . . . . . . . . . . . C . 37 HIS C . . . . . . . . . c16020_2kad 1 . 1 . 1013 . 3 1 16 HIS CA C -6.464 -5.207 -8.888 . . . 1.0 . . . . . . . . . . . . C . 37 HIS CA . . . . . . . . . c16020_2kad 1 . 1 . 1014 . 3 1 16 HIS CB C -5.002 -5.312 -8.403 . . . 1.0 . . . . . . . . . . . . C . 37 HIS CB . . . . . . . . . c16020_2kad 1 . 1 . 1015 . 3 1 16 HIS CD2 C -5.688 -6.966 -6.502 . . . 1.0 . . . . . . . . . . . . C . 37 HIS CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1016 . 3 1 16 HIS CE1 C -3.804 -6.793 -5.400 . . . 1.0 . . . . . . . . . . . . C . 37 HIS CE1 . . . . . . . . . c16020_2kad 1 . 1 . 1017 . 3 1 16 HIS CG C -4.838 -6.132 -7.155 . . . 1.0 . . . . . . . . . . . . C . 37 HIS CG . . . . . . . . . c16020_2kad 1 . 1 . 1018 . 3 1 16 HIS H H -5.692 -4.016 -10.504 . . . 1.0 . . . . . . . . . . . . C . 37 HIS H . . . . . . . . . c16020_2kad 1 . 1 . 1019 . 3 1 16 HIS HA H -6.785 -6.245 -8.984 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HA . . . . . . . . . c16020_2kad 1 . 1 . 1020 . 3 1 16 HIS HB2 H -4.332 -5.769 -9.131 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1021 . 3 1 16 HIS HB3 H -4.549 -4.349 -8.168 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1022 . 3 1 16 HIS HD2 H -6.695 -7.247 -6.810 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1023 . 3 1 16 HIS HE1 H -3.040 -6.929 -4.632 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HE1 . . . . . . . . . c16020_2kad 1 . 1 . 1024 . 3 1 16 HIS HE2 H -5.377 -8.020 -4.645 . . . 1.0 . . . . . . . . . . . . C . 37 HIS HE2 . . . . . . . . . c16020_2kad 1 . 1 . 1025 . 3 1 16 HIS N N -6.550 -4.458 -10.141 . . . 1.0 . . . . . . . . . . . . C . 37 HIS N . . . . . . . . . c16020_2kad 1 . 1 . 1026 . 3 1 16 HIS ND1 N -3.651 -6.038 -6.466 . . . 1.0 . . . . . . . . . . . . C . 37 HIS ND1 . . . . . . . . . c16020_2kad 1 . 1 . 1027 . 3 1 16 HIS NE2 N -5.020 -7.384 -5.372 . . . 1.0 . . . . . . . . . . . . C . 37 HIS NE2 . . . . . . . . . c16020_2kad 1 . 1 . 1028 . 3 1 16 HIS O O -8.034 -5.327 -7.055 . . . 1.0 . . . . . . . . . . . . C . 37 HIS O . . . . . . . . . c16020_2kad 1 . 1 . 1029 . 3 1 17 LEU C C -9.670 -2.694 -6.944 . . . 1.0 . . . . . . . . . . . . C . 38 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1030 . 3 1 17 LEU CA C -8.174 -2.571 -6.660 . . . 1.0 . . . . . . . . . . . . C . 38 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1031 . 3 1 17 LEU CB C -7.774 -1.073 -6.602 . . . 1.0 . . . . . . . . . . . . C . 38 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1032 . 3 1 17 LEU CD1 C -5.698 0.443 -6.805 . . . 1.0 . . . . . . . . . . . . C . 38 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1033 . 3 1 17 LEU CD2 C -6.409 -0.467 -4.568 . . . 1.0 . . . . . . . . . . . . C . 38 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1034 . 3 1 17 LEU CG C -6.358 -0.749 -6.080 . . . 1.0 . . . . . . . . . . . . C . 38 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1035 . 3 1 17 LEU H H -6.718 -2.707 -8.230 . . . 1.0 . . . . . . . . . . . . C . 38 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1036 . 3 1 17 LEU HA H -8.053 -2.928 -5.636 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1037 . 3 1 17 LEU HB2 H -7.834 -0.676 -7.615 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1038 . 3 1 17 LEU HB3 H -8.477 -0.570 -5.938 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1039 . 3 1 17 LEU HD11 H -4.705 0.618 -6.390 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1040 . 3 1 17 LEU HD12 H -5.612 0.219 -7.868 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1041 . 3 1 17 LEU HD13 H -6.310 1.335 -6.668 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1042 . 3 1 17 LEU HD21 H -6.793 -1.344 -4.047 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1043 . 3 1 17 LEU HD22 H -5.407 -0.237 -4.205 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1044 . 3 1 17 LEU HD23 H -7.066 0.383 -4.379 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1045 . 3 1 17 LEU HG H -5.656 -1.577 -6.190 . . . 1.0 . . . . . . . . . . . . C . 38 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1046 . 3 1 17 LEU N N -7.336 -3.267 -7.625 . . . 1.0 . . . . . . . . . . . . C . 38 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1047 . 3 1 17 LEU O O -10.472 -2.887 -6.031 . . . 1.0 . . . . . . . . . . . . C . 38 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1048 . 3 1 18 ILE C C -12.002 -4.190 -8.287 . . . 1.0 . . . . . . . . . . . . C . 39 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1049 . 3 1 18 ILE CA C -11.453 -2.815 -8.680 . . . 1.0 . . . . . . . . . . . . C . 39 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1050 . 3 1 18 ILE CB C -11.543 -2.579 -10.193 . . . 1.0 . . . . . . . . . . . . C . 39 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1051 . 3 1 18 ILE CD1 C -10.970 -0.818 -11.981 . . . 1.0 . . . . . . . . . . . . C . 39 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1052 . 3 1 18 ILE CG1 C -11.289 -1.077 -10.502 . . . 1.0 . . . . . . . . . . . . C . 39 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1053 . 3 1 18 ILE CG2 C -12.906 -3.036 -10.757 . . . 1.0 . . . . . . . . . . . . C . 39 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1054 . 3 1 18 ILE H H -9.367 -2.406 -8.942 . . . 1.0 . . . . . . . . . . . . C . 39 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1055 . 3 1 18 ILE HA H -12.135 -2.075 -8.261 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1056 . 3 1 18 ILE HB H -10.768 -3.128 -10.729 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1057 . 3 1 18 ILE HD11 H -11.806 -1.147 -12.598 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1058 . 3 1 18 ILE HD12 H -10.802 0.249 -12.135 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1059 . 3 1 18 ILE HD13 H -10.072 -1.370 -12.261 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1060 . 3 1 18 ILE HG12 H -12.146 -0.445 -10.269 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1061 . 3 1 18 ILE HG13 H -10.452 -0.663 -9.939 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1062 . 3 1 18 ILE HG21 H -12.935 -2.854 -11.832 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1063 . 3 1 18 ILE HG22 H -13.040 -4.100 -10.566 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1064 . 3 1 18 ILE HG23 H -13.706 -2.476 -10.274 . . . 1.0 . . . . . . . . . . . . C . 39 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1065 . 3 1 18 ILE N N -10.078 -2.618 -8.228 . . . 1.0 . . . . . . . . . . . . C . 39 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1066 . 3 1 18 ILE O O -13.092 -4.302 -7.731 . . . 1.0 . . . . . . . . . . . . C . 39 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1067 . 3 1 19 ALA C C -11.823 -6.729 -6.591 . . . 1.0 . . . . . . . . . . . . C . 40 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 1068 . 3 1 19 ALA CA C -11.576 -6.608 -8.094 . . . 1.0 . . . . . . . . . . . . C . 40 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 1069 . 3 1 19 ALA CB C -10.525 -7.605 -8.608 . . . 1.0 . . . . . . . . . . . . C . 40 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 1070 . 3 1 19 ALA H H -10.318 -5.122 -9.024 . . . 1.0 . . . . . . . . . . . . C . 40 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 1071 . 3 1 19 ALA HA H -12.475 -6.789 -8.685 . . . 1.0 . . . . . . . . . . . . C . 40 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 1072 . 3 1 19 ALA HB1 H -10.858 -8.623 -8.408 . . . 1.0 . . . . . . . . . . . . C . 40 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 1073 . 3 1 19 ALA HB2 H -10.392 -7.472 -9.682 . . . 1.0 . . . . . . . . . . . . C . 40 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1074 . 3 1 19 ALA HB3 H -9.576 -7.427 -8.101 . . . 1.0 . . . . . . . . . . . . C . 40 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1075 . 3 1 19 ALA N N -11.208 -5.260 -8.524 . . . 1.0 . . . . . . . . . . . . C . 40 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 1076 . 3 1 19 ALA O O -12.846 -7.254 -6.155 . . . 1.0 . . . . . . . . . . . . C . 40 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 1077 . 3 1 20 TRP C C -12.310 -5.421 -3.829 . . . 1.0 . . . . . . . . . . . . C . 41 TRP C . . . . . . . . . c16020_2kad 1 . 1 . 1078 . 3 1 20 TRP CA C -11.043 -6.134 -4.318 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CA . . . . . . . . . c16020_2kad 1 . 1 . 1079 . 3 1 20 TRP CB C -9.763 -5.472 -3.736 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CB . . . . . . . . . c16020_2kad 1 . 1 . 1080 . 3 1 20 TRP CD1 C -9.224 -6.359 -1.342 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1081 . 3 1 20 TRP CD2 C -10.071 -4.281 -1.424 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1082 . 3 1 20 TRP CE2 C -9.813 -4.610 -0.077 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CE2 . . . . . . . . . c16020_2kad 1 . 1 . 1083 . 3 1 20 TRP CE3 C -10.622 -3.053 -1.766 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CE3 . . . . . . . . . c16020_2kad 1 . 1 . 1084 . 3 1 20 TRP CG C -9.675 -5.407 -2.218 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CG . . . . . . . . . c16020_2kad 1 . 1 . 1085 . 3 1 20 TRP CH2 C -10.662 -2.466 0.600 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CH2 . . . . . . . . . c16020_2kad 1 . 1 . 1086 . 3 1 20 TRP CZ2 C -10.093 -3.707 0.947 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CZ2 . . . . . . . . . c16020_2kad 1 . 1 . 1087 . 3 1 20 TRP CZ3 C -10.917 -2.144 -0.739 . . . 1.0 . . . . . . . . . . . . C . 41 TRP CZ3 . . . . . . . . . c16020_2kad 1 . 1 . 1088 . 3 1 20 TRP H H -10.080 -5.741 -6.188 . . . 1.0 . . . . . . . . . . . . C . 41 TRP H . . . . . . . . . c16020_2kad 1 . 1 . 1089 . 3 1 20 TRP HA H -11.080 -7.122 -3.858 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HA . . . . . . . . . c16020_2kad 1 . 1 . 1090 . 3 1 20 TRP HB2 H -8.904 -6.047 -4.081 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1091 . 3 1 20 TRP HB3 H -9.721 -4.447 -4.102 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1092 . 3 1 20 TRP HD1 H -8.870 -7.350 -1.629 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HD1 . . . . . . . . . c16020_2kad 1 . 1 . 1093 . 3 1 20 TRP HE1 H -8.979 -6.395 0.794 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HE1 . . . . . . . . . c16020_2kad 1 . 1 . 1094 . 3 1 20 TRP HE3 H -10.818 -2.801 -2.809 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HE3 . . . . . . . . . c16020_2kad 1 . 1 . 1095 . 3 1 20 TRP HH2 H -10.907 -1.748 1.382 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HH2 . . . . . . . . . c16020_2kad 1 . 1 . 1096 . 3 1 20 TRP HZ2 H -9.878 -3.953 1.988 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HZ2 . . . . . . . . . c16020_2kad 1 . 1 . 1097 . 3 1 20 TRP HZ3 H -11.353 -1.176 -0.985 . . . 1.0 . . . . . . . . . . . . C . 41 TRP HZ3 . . . . . . . . . c16020_2kad 1 . 1 . 1098 . 3 1 20 TRP N N -10.916 -6.169 -5.766 . . . 1.0 . . . . . . . . . . . . C . 41 TRP N . . . . . . . . . c16020_2kad 1 . 1 . 1099 . 3 1 20 TRP NE1 N -9.281 -5.885 -0.048 . . . 1.0 . . . . . . . . . . . . C . 41 TRP NE1 . . . . . . . . . c16020_2kad 1 . 1 . 1100 . 3 1 20 TRP O O -13.060 -5.948 -3.015 . . . 1.0 . . . . . . . . . . . . C . 41 TRP O . . . . . . . . . c16020_2kad 1 . 1 . 1101 . 3 1 21 ILE C C -15.096 -4.236 -4.456 . . . 1.0 . . . . . . . . . . . . C . 42 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1102 . 3 1 21 ILE CA C -13.826 -3.453 -4.109 . . . 1.0 . . . . . . . . . . . . C . 42 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1103 . 3 1 21 ILE CB C -13.776 -2.107 -4.848 . . . 1.0 . . . . . . . . . . . . C . 42 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1104 . 3 1 21 ILE CD1 C -12.941 -0.667 -2.836 . . . 1.0 . . . . . . . . . . . . C . 42 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1105 . 3 1 21 ILE CG1 C -12.690 -1.170 -4.264 . . . 1.0 . . . . . . . . . . . . C . 42 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1106 . 3 1 21 ILE CG2 C -15.147 -1.397 -4.883 . . . 1.0 . . . . . . . . . . . . C . 42 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1107 . 3 1 21 ILE H H -11.928 -3.814 -5.026 . . . 1.0 . . . . . . . . . . . . C . 42 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1108 . 3 1 21 ILE HA H -13.915 -3.166 -3.061 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1109 . 3 1 21 ILE HB H -13.462 -2.209 -5.887 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1110 . 3 1 21 ILE HD11 H -13.009 -1.517 -2.157 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1111 . 3 1 21 ILE HD12 H -12.121 -0.020 -2.527 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1112 . 3 1 21 ILE HD13 H -13.877 -0.105 -2.807 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1113 . 3 1 21 ILE HG12 H -11.746 -1.715 -4.250 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1114 . 3 1 21 ILE HG13 H -12.622 -0.292 -4.906 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1115 . 3 1 21 ILE HG21 H -15.053 -0.451 -5.417 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1116 . 3 1 21 ILE HG22 H -15.873 -2.031 -5.392 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1117 . 3 1 21 ILE HG23 H -15.485 -1.204 -3.864 . . . 1.0 . . . . . . . . . . . . C . 42 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1118 . 3 1 21 ILE N N -12.611 -4.222 -4.371 . . . 1.0 . . . . . . . . . . . . C . 42 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1119 . 3 1 21 ILE O O -16.056 -4.262 -3.688 . . . 1.0 . . . . . . . . . . . . C . 42 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1120 . 3 1 22 LEU C C -16.429 -7.002 -5.031 . . . 1.0 . . . . . . . . . . . . C . 43 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1121 . 3 1 22 LEU CA C -16.206 -5.838 -5.993 . . . 1.0 . . . . . . . . . . . . C . 43 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1122 . 3 1 22 LEU CB C -15.937 -6.373 -7.427 . . . 1.0 . . . . . . . . . . . . C . 43 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1123 . 3 1 22 LEU CD1 C -18.355 -6.370 -8.274 . . . 1.0 . . . . . . . . . . . . C . 43 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1124 . 3 1 22 LEU CD2 C -16.603 -7.754 -9.425 . . . 1.0 . . . . . . . . . . . . C . 43 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1125 . 3 1 22 LEU CG C -17.073 -7.194 -8.075 . . . 1.0 . . . . . . . . . . . . C . 43 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1126 . 3 1 22 LEU H H -14.306 -4.886 -6.227 . . . 1.0 . . . . . . . . . . . . C . 43 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1127 . 3 1 22 LEU HA H -17.169 -5.330 -6.059 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1128 . 3 1 22 LEU HB2 H -15.757 -5.515 -8.074 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1129 . 3 1 22 LEU HB3 H -15.063 -7.022 -7.382 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1130 . 3 1 22 LEU HD11 H -19.121 -6.994 -8.733 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1131 . 3 1 22 LEU HD12 H -18.710 -6.009 -7.309 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1132 . 3 1 22 LEU HD13 H -18.143 -5.519 -8.921 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1133 . 3 1 22 LEU HD21 H -15.738 -8.398 -9.270 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1134 . 3 1 22 LEU HD22 H -17.409 -8.332 -9.878 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1135 . 3 1 22 LEU HD23 H -16.330 -6.932 -10.086 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1136 . 3 1 22 LEU HG H -17.357 -8.058 -7.478 . . . 1.0 . . . . . . . . . . . . C . 43 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1137 . 3 1 22 LEU N N -15.116 -4.960 -5.597 . . . 1.0 . . . . . . . . . . . . C . 43 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1138 . 3 1 22 LEU O O -17.562 -7.355 -4.708 . . . 1.0 . . . . . . . . . . . . C . 43 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1139 . 3 1 23 ASP C C -15.987 -8.120 -2.142 . . . 1.0 . . . . . . . . . . . . C . 44 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 1140 . 3 1 23 ASP CA C -15.427 -8.623 -3.468 . . . 1.0 . . . . . . . . . . . . C . 44 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 1141 . 3 1 23 ASP CB C -14.050 -9.272 -3.161 . . . 1.0 . . . . . . . . . . . . C . 44 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 1142 . 3 1 23 ASP CG C -13.471 -10.022 -4.343 . . . 1.0 . . . . . . . . . . . . C . 44 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 1143 . 3 1 23 ASP H H -14.410 -7.308 -4.836 . . . 1.0 . . . . . . . . . . . . C . 44 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 1144 . 3 1 23 ASP HA H -16.082 -9.416 -3.827 . . . 1.0 . . . . . . . . . . . . C . 44 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 1145 . 3 1 23 ASP HB2 H -13.289 -8.547 -2.873 . . . 1.0 . . . . . . . . . . . . C . 44 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1146 . 3 1 23 ASP HB3 H -14.089 -9.995 -2.347 . . . 1.0 . . . . . . . . . . . . C . 44 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1147 . 3 1 23 ASP HD2 H -13.872 -11.538 -5.549 . . . 1.0 . . . . . . . . . . . . C . 44 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1148 . 3 1 23 ASP N N -15.341 -7.594 -4.501 . . . 1.0 . . . . . . . . . . . . C . 44 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 1149 . 3 1 23 ASP O O -16.763 -8.823 -1.504 . . . 1.0 . . . . . . . . . . . . C . 44 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 1150 . 3 1 23 ASP OD1 O -12.363 -9.871 -4.804 . . . 1.0 . . . . . . . . . . . . C . 44 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 1151 . 3 1 23 ASP OD2 O -14.329 -11.002 -4.797 . . . 1.0 . . . . . . . . . . . . C . 44 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 1152 . 3 1 24 ARG C C -17.582 -5.952 -0.545 . . . 1.0 . . . . . . . . . . . . C . 45 ARG C . . . . . . . . . c16020_2kad 1 . 1 . 1153 . 3 1 24 ARG CA C -16.099 -6.305 -0.471 . . . 1.0 . . . . . . . . . . . . C . 45 ARG CA . . . . . . . . . c16020_2kad 1 . 1 . 1154 . 3 1 24 ARG CB C -15.281 -5.024 -0.142 . . . 1.0 . . . . . . . . . . . . C . 45 ARG CB . . . . . . . . . c16020_2kad 1 . 1 . 1155 . 3 1 24 ARG CD C -13.840 -5.871 1.812 . . . 1.0 . . . . . . . . . . . . C . 45 ARG CD . . . . . . . . . c16020_2kad 1 . 1 . 1156 . 3 1 24 ARG CG C -13.858 -5.292 0.396 . . . 1.0 . . . . . . . . . . . . C . 45 ARG CG . . . . . . . . . c16020_2kad 1 . 1 . 1157 . 3 1 24 ARG CZ C -12.018 -6.484 3.427 . . . 1.0 . . . . . . . . . . . . C . 45 ARG CZ . . . . . . . . . c16020_2kad 1 . 1 . 1158 . 3 1 24 ARG H H -14.922 -6.373 -2.262 . . . 1.0 . . . . . . . . . . . . C . 45 ARG H . . . . . . . . . c16020_2kad 1 . 1 . 1159 . 3 1 24 ARG HA H -15.988 -6.963 0.392 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HA . . . . . . . . . c16020_2kad 1 . 1 . 1160 . 3 1 24 ARG HB2 H -15.183 -4.439 -1.056 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1161 . 3 1 24 ARG HB3 H -15.820 -4.460 0.618 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1162 . 3 1 24 ARG HD2 H -14.368 -5.177 2.466 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1163 . 3 1 24 ARG HD3 H -14.341 -6.838 1.786 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HD3 . . . . . . . . . c16020_2kad 1 . 1 . 1164 . 3 1 24 ARG HG2 H -13.291 -6.000 -0.208 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HG2 . . . . . . . . . c16020_2kad 1 . 1 . 1165 . 3 1 24 ARG HG3 H -13.237 -4.399 0.445 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HG3 . . . . . . . . . c16020_2kad 1 . 1 . 1166 . 3 1 24 ARG HH11 H -13.902 -6.755 4.163 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HH11 . . . . . . . . . c16020_2kad 1 . 1 . 1167 . 3 1 24 ARG HH12 H -12.565 -7.188 5.264 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HH12 . . . . . . . . . c16020_2kad 1 . 1 . 1168 . 3 1 24 ARG HH21 H -10.052 -6.279 2.906 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HH21 . . . . . . . . . c16020_2kad 1 . 1 . 1169 . 3 1 24 ARG HH22 H -10.361 -6.915 4.543 . . . 1.0 . . . . . . . . . . . . C . 45 ARG HH22 . . . . . . . . . c16020_2kad 1 . 1 . 1170 . 3 1 24 ARG N N -15.602 -6.904 -1.700 . . . 1.0 . . . . . . . . . . . . C . 45 ARG N . . . . . . . . . c16020_2kad 1 . 1 . 1171 . 3 1 24 ARG NE N -12.411 -6.019 2.232 . . . 1.0 . . . . . . . . . . . . C . 45 ARG NE . . . . . . . . . c16020_2kad 1 . 1 . 1172 . 3 1 24 ARG NH1 N -12.892 -6.835 4.353 . . . 1.0 . . . . . . . . . . . . C . 45 ARG NH1 . . . . . . . . . c16020_2kad 1 . 1 . 1173 . 3 1 24 ARG NH2 N -10.714 -6.565 3.641 . . . 1.0 . . . . . . . . . . . . C . 45 ARG NH2 . . . . . . . . . c16020_2kad 1 . 1 . 1174 . 3 1 24 ARG O O -18.304 -6.045 0.442 . . . 1.0 . . . . . . . . . . . . C . 45 ARG O . . . . . . . . . c16020_2kad 1 . 1 . 1175 . 3 1 25 LEU C C -20.331 -6.495 -1.975 . . . 1.0 . . . . . . . . . . . . C . 46 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1176 . 3 1 25 LEU CA C -19.460 -5.248 -1.987 . . . 1.0 . . . . . . . . . . . . C . 46 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1177 . 3 1 25 LEU CB C -19.568 -4.548 -3.370 . . . 1.0 . . . . . . . . . . . . C . 46 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1178 . 3 1 25 LEU CD1 C -21.444 -2.888 -2.799 . . . 1.0 . . . . . . . . . . . . C . 46 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1179 . 3 1 25 LEU CD2 C -20.922 -3.450 -5.191 . . . 1.0 . . . . . . . . . . . . C . 46 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1180 . 3 1 25 LEU CG C -20.957 -3.993 -3.756 . . . 1.0 . . . . . . . . . . . . C . 46 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1181 . 3 1 25 LEU H H -17.402 -5.443 -2.519 . . . 1.0 . . . . . . . . . . . . C . 46 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1182 . 3 1 25 LEU HA H -19.880 -4.573 -1.241 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1183 . 3 1 25 LEU HB2 H -18.879 -3.704 -3.369 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1184 . 3 1 25 LEU HB3 H -19.296 -5.278 -4.132 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1185 . 3 1 25 LEU HD11 H -22.425 -2.534 -3.120 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1186 . 3 1 25 LEU HD12 H -21.515 -3.286 -1.788 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1187 . 3 1 25 LEU HD13 H -20.738 -2.056 -2.812 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1188 . 3 1 25 LEU HD21 H -20.653 -4.254 -5.878 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1189 . 3 1 25 LEU HD22 H -21.905 -3.061 -5.457 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1190 . 3 1 25 LEU HD23 H -20.184 -2.652 -5.261 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1191 . 3 1 25 LEU HG H -21.733 -4.757 -3.750 . . . 1.0 . . . . . . . . . . . . C . 46 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1192 . 3 1 25 LEU N N -18.065 -5.546 -1.739 . . . 1.0 . . . . . . . . . . . . C . 46 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1193 . 3 1 25 LEU O O -21.429 -6.506 -1.411 . . . 1.0 . . . . . . . . . . . . C . 46 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1194 . 3 1 25 LEU OXT O -19.979 -7.399 -2.476 . . . 1.0 . . . . . . . . . . . . C . 46 LEU OXT . . . . . . . . . c16020_2kad 1 . 1 . 1195 . 4 1 1 SER C C -4.748 20.676 -3.954 . . . 1.0 . . . . . . . . . . . . D . 22 SER C . . . . . . . . . c16020_2kad 1 . 1 . 1196 . 4 1 1 SER CA C -4.520 21.904 -3.081 . . . 1.0 . . . . . . . . . . . . D . 22 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 1197 . 4 1 1 SER CB C -3.696 22.997 -3.839 . . . 1.0 . . . . . . . . . . . . D . 22 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 1198 . 4 1 1 SER H1 H -3.478 20.619 -1.797 . . . 1.0 . . . . . . . . . . . . D . 22 SER H1 . . . . . . . . . c16020_2kad 1 . 1 . 1199 . 4 1 1 SER H2 H -3.060 22.239 -1.616 . . . 1.0 . . . . . . . . . . . . D . 22 SER H2 . . . . . . . . . c16020_2kad 1 . 1 . 1200 . 4 1 1 SER HA H -5.502 22.362 -2.953 . . . 1.0 . . . . . . . . . . . . D . 22 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 1201 . 4 1 1 SER HB2 H -2.628 22.780 -3.793 . . . 1.0 . . . . . . . . . . . . D . 22 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1202 . 4 1 1 SER HB3 H -3.984 23.044 -4.888 . . . 1.0 . . . . . . . . . . . . D . 22 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1203 . 4 1 1 SER HG H -3.418 24.999 -3.823 . . . 1.0 . . . . . . . . . . . . D . 22 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 1204 . 4 1 1 SER N N -3.839 21.584 -1.769 . . . 1.0 . . . . . . . . . . . . D . 22 SER N . . . . . . . . . c16020_2kad 1 . 1 . 1205 . 4 1 1 SER O O -4.461 19.541 -3.580 . . . 1.0 . . . . . . . . . . . . D . 22 SER O . . . . . . . . . c16020_2kad 1 . 1 . 1206 . 4 1 1 SER OG O -3.909 24.287 -3.264 . . . 1.0 . . . . . . . . . . . . D . 22 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 1207 . 4 1 2 SER C C -4.445 18.903 -6.520 . . . 1.0 . . . . . . . . . . . . D . 23 SER C . . . . . . . . . c16020_2kad 1 . 1 . 1208 . 4 1 2 SER CA C -5.649 19.704 -6.028 . . . 1.0 . . . . . . . . . . . . D . 23 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 1209 . 4 1 2 SER CB C -6.501 20.136 -7.246 . . . 1.0 . . . . . . . . . . . . D . 23 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 1210 . 4 1 2 SER H H -5.475 21.799 -5.522 . . . 1.0 . . . . . . . . . . . . D . 23 SER H . . . . . . . . . c16020_2kad 1 . 1 . 1211 . 4 1 2 SER HA H -6.284 19.029 -5.453 . . . 1.0 . . . . . . . . . . . . D . 23 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 1212 . 4 1 2 SER HB2 H -6.005 20.937 -7.793 . . . 1.0 . . . . . . . . . . . . D . 23 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1213 . 4 1 2 SER HB3 H -6.651 19.296 -7.923 . . . 1.0 . . . . . . . . . . . . D . 23 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1214 . 4 1 2 SER HG H -7.718 21.609 -6.590 . . . 1.0 . . . . . . . . . . . . D . 23 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 1215 . 4 1 2 SER N N -5.298 20.844 -5.179 . . . 1.0 . . . . . . . . . . . . D . 23 SER N . . . . . . . . . c16020_2kad 1 . 1 . 1216 . 4 1 2 SER O O -4.538 17.713 -6.792 . . . 1.0 . . . . . . . . . . . . D . 23 SER O . . . . . . . . . c16020_2kad 1 . 1 . 1217 . 4 1 2 SER OG O -7.779 20.606 -6.817 . . . 1.0 . . . . . . . . . . . . D . 23 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 1218 . 4 1 3 ASP C C -1.370 18.254 -5.685 . . . 1.0 . . . . . . . . . . . . D . 24 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 1219 . 4 1 3 ASP CA C -2.002 18.942 -6.936 . . . 1.0 . . . . . . . . . . . . D . 24 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 1220 . 4 1 3 ASP CB C -1.136 19.990 -7.692 . . . 1.0 . . . . . . . . . . . . D . 24 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 1221 . 4 1 3 ASP CG C 0.249 19.479 -8.029 . . . 1.0 . . . . . . . . . . . . D . 24 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 1222 . 4 1 3 ASP H H -3.270 20.572 -6.428 . . . 1.0 . . . . . . . . . . . . D . 24 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 1223 . 4 1 3 ASP HA H -2.121 18.182 -7.707 . . . 1.0 . . . . . . . . . . . . D . 24 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 1224 . 4 1 3 ASP HB2 H -1.576 20.300 -8.640 . . . 1.0 . . . . . . . . . . . . D . 24 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1225 . 4 1 3 ASP HB3 H -0.983 20.907 -7.124 . . . 1.0 . . . . . . . . . . . . D . 24 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1226 . 4 1 3 ASP HD2 H 1.253 18.398 -9.321 . . . 1.0 . . . . . . . . . . . . D . 24 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1227 . 4 1 3 ASP N N -3.267 19.558 -6.608 . . . 1.0 . . . . . . . . . . . . D . 24 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 1228 . 4 1 3 ASP O O -1.064 17.061 -5.778 . . . 1.0 . . . . . . . . . . . . D . 24 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 1229 . 4 1 3 ASP OD1 O 1.263 19.762 -7.422 . . . 1.0 . . . . . . . . . . . . D . 24 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 1230 . 4 1 3 ASP OD2 O 0.282 18.682 -9.131 . . . 1.0 . . . . . . . . . . . . D . 24 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 1231 . 4 1 4 PRO C C -1.463 16.992 -2.790 . . . 1.0 . . . . . . . . . . . . D . 25 PRO C . . . . . . . . . c16020_2kad 1 . 1 . 1232 . 4 1 4 PRO CA C -0.646 18.161 -3.328 . . . 1.0 . . . . . . . . . . . . D . 25 PRO CA . . . . . . . . . c16020_2kad 1 . 1 . 1233 . 4 1 4 PRO CB C -0.598 19.286 -2.283 . . . 1.0 . . . . . . . . . . . . D . 25 PRO CB . . . . . . . . . c16020_2kad 1 . 1 . 1234 . 4 1 4 PRO CD C -0.888 20.306 -4.408 . . . 1.0 . . . . . . . . . . . . D . 25 PRO CD . . . . . . . . . c16020_2kad 1 . 1 . 1235 . 4 1 4 PRO CG C -0.136 20.493 -3.095 . . . 1.0 . . . . . . . . . . . . D . 25 PRO CG . . . . . . . . . c16020_2kad 1 . 1 . 1236 . 4 1 4 PRO HA H 0.333 17.761 -3.586 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HA . . . . . . . . . c16020_2kad 1 . 1 . 1237 . 4 1 4 PRO HB2 H -1.577 19.450 -1.835 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1238 . 4 1 4 PRO HB3 H 0.101 19.046 -1.481 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1239 . 4 1 4 PRO HD2 H -1.864 20.794 -4.411 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1240 . 4 1 4 PRO HD3 H -0.286 20.555 -5.282 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HD3 . . . . . . . . . c16020_2kad 1 . 1 . 1241 . 4 1 4 PRO HG2 H -0.399 21.428 -2.599 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HG2 . . . . . . . . . c16020_2kad 1 . 1 . 1242 . 4 1 4 PRO HG3 H 0.945 20.488 -3.235 . . . 1.0 . . . . . . . . . . . . D . 25 PRO HG3 . . . . . . . . . c16020_2kad 1 . 1 . 1243 . 4 1 4 PRO N N -1.161 18.864 -4.510 . . . 1.0 . . . . . . . . . . . . D . 25 PRO N . . . . . . . . . c16020_2kad 1 . 1 . 1244 . 4 1 4 PRO O O -0.874 16.043 -2.274 . . . 1.0 . . . . . . . . . . . . D . 25 PRO O . . . . . . . . . c16020_2kad 1 . 1 . 1245 . 4 1 5 LEU C C -3.408 14.623 -3.210 . . . 1.0 . . . . . . . . . . . . D . 26 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1246 . 4 1 5 LEU CA C -3.653 15.921 -2.441 . . . 1.0 . . . . . . . . . . . . D . 26 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1247 . 4 1 5 LEU CB C -5.163 16.271 -2.513 . . . 1.0 . . . . . . . . . . . . D . 26 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1248 . 4 1 5 LEU CD1 C -7.065 17.770 -1.841 . . . 1.0 . . . . . . . . . . . . D . 26 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1249 . 4 1 5 LEU CD2 C -5.395 17.073 -0.096 . . . 1.0 . . . . . . . . . . . . D . 26 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1250 . 4 1 5 LEU CG C -5.598 17.413 -1.577 . . . 1.0 . . . . . . . . . . . . D . 26 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1251 . 4 1 5 LEU H H -3.253 17.839 -3.336 . . . 1.0 . . . . . . . . . . . . D . 26 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1252 . 4 1 5 LEU HA H -3.493 15.684 -1.389 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1253 . 4 1 5 LEU HB2 H -5.394 16.576 -3.534 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1254 . 4 1 5 LEU HB3 H -5.734 15.384 -2.239 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1255 . 4 1 5 LEU HD11 H -7.369 18.579 -1.176 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1256 . 4 1 5 LEU HD12 H -7.181 18.089 -2.878 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1257 . 4 1 5 LEU HD13 H -7.691 16.895 -1.660 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1258 . 4 1 5 LEU HD21 H -4.339 16.874 0.090 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1259 . 4 1 5 LEU HD22 H -5.717 17.913 0.519 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1260 . 4 1 5 LEU HD23 H -5.982 16.191 0.159 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1261 . 4 1 5 LEU HG H -4.979 18.292 -1.755 . . . 1.0 . . . . . . . . . . . . D . 26 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1262 . 4 1 5 LEU N N -2.808 17.017 -2.905 . . . 1.0 . . . . . . . . . . . . D . 26 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1263 . 4 1 5 LEU O O -3.395 13.535 -2.639 . . . 1.0 . . . . . . . . . . . . D . 26 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1264 . 4 1 6 VAL C C -1.620 12.803 -4.994 . . . 1.0 . . . . . . . . . . . . D . 27 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 1265 . 4 1 6 VAL CA C -2.917 13.525 -5.378 . . . 1.0 . . . . . . . . . . . . D . 27 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 1266 . 4 1 6 VAL CB C -3.036 13.841 -6.881 . . . 1.0 . . . . . . . . . . . . D . 27 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 1267 . 4 1 6 VAL CG1 C -2.347 12.804 -7.792 . . . 1.0 . . . . . . . . . . . . D . 27 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1268 . 4 1 6 VAL CG2 C -4.515 14.029 -7.275 . . . 1.0 . . . . . . . . . . . . D . 27 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1269 . 4 1 6 VAL H H -3.189 15.630 -4.988 . . . 1.0 . . . . . . . . . . . . D . 27 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 1270 . 4 1 6 VAL HA H -3.709 12.779 -5.314 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 1271 . 4 1 6 VAL HB H -2.598 14.798 -7.165 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 1272 . 4 1 6 VAL HG11 H -2.473 13.094 -8.835 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 1273 . 4 1 6 VAL HG12 H -1.284 12.760 -7.554 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1274 . 4 1 6 VAL HG13 H -2.795 11.823 -7.631 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1275 . 4 1 6 VAL HG21 H -4.942 14.853 -6.705 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1276 . 4 1 6 VAL HG22 H -4.582 14.250 -8.341 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1277 . 4 1 6 VAL HG23 H -5.068 13.114 -7.061 . . . 1.0 . . . . . . . . . . . . D . 27 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1278 . 4 1 6 VAL N N -3.180 14.702 -4.541 . . . 1.0 . . . . . . . . . . . . D . 27 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 1279 . 4 1 6 VAL O O -1.553 11.573 -4.892 . . . 1.0 . . . . . . . . . . . . D . 27 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 1280 . 4 1 7 VAL C C 0.541 12.483 -2.740 . . . 1.0 . . . . . . . . . . . . D . 28 VAL C . . . . . . . . . c16020_2kad 1 . 1 . 1281 . 4 1 7 VAL CA C 0.704 13.103 -4.132 . . . 1.0 . . . . . . . . . . . . D . 28 VAL CA . . . . . . . . . c16020_2kad 1 . 1 . 1282 . 4 1 7 VAL CB C 1.758 14.213 -4.163 . . . 1.0 . . . . . . . . . . . . D . 28 VAL CB . . . . . . . . . c16020_2kad 1 . 1 . 1283 . 4 1 7 VAL CG1 C 2.929 13.945 -3.198 . . . 1.0 . . . . . . . . . . . . D . 28 VAL CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1284 . 4 1 7 VAL CG2 C 2.293 14.306 -5.610 . . . 1.0 . . . . . . . . . . . . D . 28 VAL CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1285 . 4 1 7 VAL H H -0.656 14.597 -4.824 . . . 1.0 . . . . . . . . . . . . D . 28 VAL H . . . . . . . . . c16020_2kad 1 . 1 . 1286 . 4 1 7 VAL HA H 1.160 12.339 -4.761 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HA . . . . . . . . . c16020_2kad 1 . 1 . 1287 . 4 1 7 VAL HB H 1.350 15.185 -3.885 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HB . . . . . . . . . c16020_2kad 1 . 1 . 1288 . 4 1 7 VAL HG11 H 3.647 14.763 -3.261 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG11 . . . . . . . . . c16020_2kad 1 . 1 . 1289 . 4 1 7 VAL HG12 H 2.550 13.872 -2.179 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1290 . 4 1 7 VAL HG13 H 3.418 13.010 -3.472 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1291 . 4 1 7 VAL HG21 H 1.472 14.542 -6.286 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1292 . 4 1 7 VAL HG22 H 3.049 15.090 -5.668 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1293 . 4 1 7 VAL HG23 H 2.737 13.353 -5.895 . . . 1.0 . . . . . . . . . . . . D . 28 VAL HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1294 . 4 1 7 VAL N N -0.561 13.583 -4.673 . . . 1.0 . . . . . . . . . . . . D . 28 VAL N . . . . . . . . . c16020_2kad 1 . 1 . 1295 . 4 1 7 VAL O O 1.097 11.422 -2.460 . . . 1.0 . . . . . . . . . . . . D . 28 VAL O . . . . . . . . . c16020_2kad 1 . 1 . 1296 . 4 1 8 ALA C C -1.248 11.190 -0.541 . . . 1.0 . . . . . . . . . . . . D . 29 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 1297 . 4 1 8 ALA CA C -0.569 12.560 -0.532 . . . 1.0 . . . . . . . . . . . . D . 29 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 1298 . 4 1 8 ALA CB C -1.436 13.564 0.255 . . . 1.0 . . . . . . . . . . . . D . 29 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 1299 . 4 1 8 ALA H H -0.712 13.986 -2.125 . . . 1.0 . . . . . . . . . . . . D . 29 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 1300 . 4 1 8 ALA HA H 0.370 12.458 0.013 . . . 1.0 . . . . . . . . . . . . D . 29 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 1301 . 4 1 8 ALA HB1 H -2.369 13.737 -0.280 . . . 1.0 . . . . . . . . . . . . D . 29 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 1302 . 4 1 8 ALA HB2 H -1.654 13.159 1.244 . . . 1.0 . . . . . . . . . . . . D . 29 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1303 . 4 1 8 ALA HB3 H -0.898 14.505 0.360 . . . 1.0 . . . . . . . . . . . . D . 29 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1304 . 4 1 8 ALA N N -0.274 13.094 -1.852 . . . 1.0 . . . . . . . . . . . . D . 29 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 1305 . 4 1 8 ALA O O -0.921 10.325 0.271 . . . 1.0 . . . . . . . . . . . . D . 29 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 1306 . 4 1 9 ALA C C -1.885 8.592 -2.196 . . . 1.0 . . . . . . . . . . . . D . 30 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 1307 . 4 1 9 ALA CA C -2.833 9.673 -1.680 . . . 1.0 . . . . . . . . . . . . D . 30 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 1308 . 4 1 9 ALA CB C -4.033 9.910 -2.613 . . . 1.0 . . . . . . . . . . . . D . 30 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 1309 . 4 1 9 ALA H H -2.417 11.717 -2.128 . . . 1.0 . . . . . . . . . . . . D . 30 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 1310 . 4 1 9 ALA HA H -3.197 9.344 -0.688 . . . 1.0 . . . . . . . . . . . . D . 30 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 1311 . 4 1 9 ALA HB1 H -4.624 8.989 -2.767 . . . 1.0 . . . . . . . . . . . . D . 30 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 1312 . 4 1 9 ALA HB2 H -4.728 10.668 -2.205 . . . 1.0 . . . . . . . . . . . . D . 30 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1313 . 4 1 9 ALA HB3 H -3.718 10.266 -3.614 . . . 1.0 . . . . . . . . . . . . D . 30 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1314 . 4 1 9 ALA N N -2.169 10.947 -1.491 . . . 1.0 . . . . . . . . . . . . D . 30 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 1315 . 4 1 9 ALA O O -1.960 7.426 -1.797 . . . 1.0 . . . . . . . . . . . . D . 30 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 1316 . 4 1 10 SER C C 1.079 7.610 -2.509 . . . 1.0 . . . . . . . . . . . . D . 31 SER C . . . . . . . . . c16020_2kad 1 . 1 . 1317 . 4 1 10 SER CA C 0.107 8.104 -3.583 . . . 1.0 . . . . . . . . . . . . D . 31 SER CA . . . . . . . . . c16020_2kad 1 . 1 . 1318 . 4 1 10 SER CB C 0.919 8.766 -4.721 . . . 1.0 . . . . . . . . . . . . D . 31 SER CB . . . . . . . . . c16020_2kad 1 . 1 . 1319 . 4 1 10 SER H H -0.934 9.962 -3.377 . . . 1.0 . . . . . . . . . . . . D . 31 SER H . . . . . . . . . c16020_2kad 1 . 1 . 1320 . 4 1 10 SER HA H -0.285 7.202 -4.053 . . . 1.0 . . . . . . . . . . . . D . 31 SER HA . . . . . . . . . c16020_2kad 1 . 1 . 1321 . 4 1 10 SER HB2 H 1.482 9.623 -4.349 . . . 1.0 . . . . . . . . . . . . D . 31 SER HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1322 . 4 1 10 SER HB3 H 1.627 8.061 -5.155 . . . 1.0 . . . . . . . . . . . . D . 31 SER HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1323 . 4 1 10 SER HG H -0.922 9.198 -5.439 . . . 1.0 . . . . . . . . . . . . D . 31 SER HG . . . . . . . . . c16020_2kad 1 . 1 . 1324 . 4 1 10 SER N N -0.928 8.981 -3.064 . . . 1.0 . . . . . . . . . . . . D . 31 SER N . . . . . . . . . c16020_2kad 1 . 1 . 1325 . 4 1 10 SER O O 1.445 6.439 -2.470 . . . 1.0 . . . . . . . . . . . . D . 31 SER O . . . . . . . . . c16020_2kad 1 . 1 . 1326 . 4 1 10 SER OG O 0.054 9.226 -5.766 . . . 1.0 . . . . . . . . . . . . D . 31 SER OG . . . . . . . . . c16020_2kad 1 . 1 . 1327 . 4 1 11 ILE C C 1.712 7.122 0.503 . . . 1.0 . . . . . . . . . . . . D . 32 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1328 . 4 1 11 ILE CA C 2.348 8.165 -0.427 . . . 1.0 . . . . . . . . . . . . D . 32 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1329 . 4 1 11 ILE CB C 2.713 9.449 0.322 . . . 1.0 . . . . . . . . . . . . D . 32 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1330 . 4 1 11 ILE CD1 C 3.660 11.822 -0.109 . . . 1.0 . . . . . . . . . . . . D . 32 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1331 . 4 1 11 ILE CG1 C 3.577 10.364 -0.583 . . . 1.0 . . . . . . . . . . . . D . 32 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1332 . 4 1 11 ILE CG2 C 3.434 9.158 1.659 . . . 1.0 . . . . . . . . . . . . D . 32 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1333 . 4 1 11 ILE H H 1.146 9.466 -1.652 . . . 1.0 . . . . . . . . . . . . D . 32 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1334 . 4 1 11 ILE HA H 3.307 7.758 -0.751 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1335 . 4 1 11 ILE HB H 1.832 10.045 0.563 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1336 . 4 1 11 ILE HD11 H 4.096 11.856 0.890 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1337 . 4 1 11 ILE HD12 H 4.283 12.393 -0.797 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1338 . 4 1 11 ILE HD13 H 2.659 12.253 -0.082 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1339 . 4 1 11 ILE HG12 H 4.591 9.964 -0.605 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1340 . 4 1 11 ILE HG13 H 3.143 10.364 -1.582 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1341 . 4 1 11 ILE HG21 H 3.673 10.097 2.156 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1342 . 4 1 11 ILE HG22 H 2.784 8.562 2.300 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1343 . 4 1 11 ILE HG23 H 4.354 8.606 1.462 . . . 1.0 . . . . . . . . . . . . D . 32 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1344 . 4 1 11 ILE N N 1.477 8.494 -1.567 . . . 1.0 . . . . . . . . . . . . D . 32 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1345 . 4 1 11 ILE O O 2.361 6.187 0.970 . . . 1.0 . . . . . . . . . . . . D . 32 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1346 . 4 1 12 ILE C C -0.356 4.899 0.896 . . . 1.0 . . . . . . . . . . . . D . 33 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1347 . 4 1 12 ILE CA C -0.353 6.304 1.526 . . . 1.0 . . . . . . . . . . . . D . 33 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1348 . 4 1 12 ILE CB C -1.771 6.776 1.879 . . . 1.0 . . . . . . . . . . . . D . 33 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1349 . 4 1 12 ILE CD1 C -3.045 8.478 3.325 . . . 1.0 . . . . . . . . . . . . D . 33 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1350 . 4 1 12 ILE CG1 C -1.732 7.720 3.108 . . . 1.0 . . . . . . . . . . . . D . 33 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1351 . 4 1 12 ILE CG2 C -2.691 5.571 2.191 . . . 1.0 . . . . . . . . . . . . D . 33 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1352 . 4 1 12 ILE H H -0.094 8.109 0.324 . . . 1.0 . . . . . . . . . . . . D . 33 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1353 . 4 1 12 ILE HA H 0.056 6.181 2.529 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1354 . 4 1 12 ILE HB H -2.210 7.334 1.051 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1355 . 4 1 12 ILE HD11 H -3.855 7.766 3.480 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1356 . 4 1 12 ILE HD12 H -2.952 9.121 4.200 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1357 . 4 1 12 ILE HD13 H -3.261 9.089 2.447 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1358 . 4 1 12 ILE HG12 H -1.539 7.196 4.044 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1359 . 4 1 12 ILE HG13 H -0.959 8.485 3.035 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1360 . 4 1 12 ILE HG21 H -3.689 5.930 2.438 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1361 . 4 1 12 ILE HG22 H -2.745 4.919 1.318 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1362 . 4 1 12 ILE HG23 H -2.287 5.014 3.035 . . . 1.0 . . . . . . . . . . . . D . 33 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1363 . 4 1 12 ILE N N 0.393 7.292 0.720 . . . 1.0 . . . . . . . . . . . . D . 33 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1364 . 4 1 12 ILE O O -0.124 3.891 1.571 . . . 1.0 . . . . . . . . . . . . D . 33 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1365 . 4 1 13 GLY C C 0.851 2.835 -1.115 . . . 1.0 . . . . . . . . . . . . D . 34 GLY C . . . . . . . . . c16020_2kad 1 . 1 . 1366 . 4 1 13 GLY CA C -0.477 3.561 -1.199 . . . 1.0 . . . . . . . . . . . . D . 34 GLY CA . . . . . . . . . c16020_2kad 1 . 1 . 1367 . 4 1 13 GLY H H -0.755 5.683 -0.952 . . . 1.0 . . . . . . . . . . . . D . 34 GLY H . . . . . . . . . c16020_2kad 1 . 1 . 1368 . 4 1 13 GLY HA2 H -1.242 2.888 -0.813 . . . 1.0 . . . . . . . . . . . . D . 34 GLY HA2 . . . . . . . . . c16020_2kad 1 . 1 . 1369 . 4 1 13 GLY HA3 H -0.657 3.791 -2.248 . . . 1.0 . . . . . . . . . . . . D . 34 GLY HA3 . . . . . . . . . c16020_2kad 1 . 1 . 1370 . 4 1 13 GLY N N -0.547 4.816 -0.438 . . . 1.0 . . . . . . . . . . . . D . 34 GLY N . . . . . . . . . c16020_2kad 1 . 1 . 1371 . 4 1 13 GLY O O 0.903 1.614 -1.009 . . . 1.0 . . . . . . . . . . . . D . 34 GLY O . . . . . . . . . c16020_2kad 1 . 1 . 1372 . 4 1 14 ILE C C 3.550 2.484 0.429 . . . 1.0 . . . . . . . . . . . . D . 35 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1373 . 4 1 14 ILE CA C 3.306 3.047 -0.972 . . . 1.0 . . . . . . . . . . . . D . 35 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1374 . 4 1 14 ILE CB C 4.371 4.083 -1.364 . . . 1.0 . . . . . . . . . . . . D . 35 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1375 . 4 1 14 ILE CD1 C 4.654 3.139 -3.790 . . . 1.0 . . . . . . . . . . . . D . 35 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1376 . 4 1 14 ILE CG1 C 4.366 4.355 -2.895 . . . 1.0 . . . . . . . . . . . . D . 35 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1377 . 4 1 14 ILE CG2 C 5.790 3.718 -0.877 . . . 1.0 . . . . . . . . . . . . D . 35 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1378 . 4 1 14 ILE H H 1.864 4.613 -1.263 . . . 1.0 . . . . . . . . . . . . D . 35 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1379 . 4 1 14 ILE HA H 3.510 2.231 -1.666 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1380 . 4 1 14 ILE HB H 4.177 5.078 -0.962 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1381 . 4 1 14 ILE HD11 H 3.898 2.372 -3.614 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1382 . 4 1 14 ILE HD12 H 4.625 3.443 -4.836 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1383 . 4 1 14 ILE HD13 H 5.639 2.739 -3.555 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1384 . 4 1 14 ILE HG12 H 3.379 4.728 -3.167 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1385 . 4 1 14 ILE HG13 H 5.135 5.097 -3.107 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1386 . 4 1 14 ILE HG21 H 6.491 4.493 -1.188 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1387 . 4 1 14 ILE HG22 H 5.793 3.641 0.210 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1388 . 4 1 14 ILE HG23 H 6.088 2.764 -1.309 . . . 1.0 . . . . . . . . . . . . D . 35 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1389 . 4 1 14 ILE N N 1.965 3.597 -1.132 . . . 1.0 . . . . . . . . . . . . D . 35 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1390 . 4 1 14 ILE O O 4.071 1.385 0.582 . . . 1.0 . . . . . . . . . . . . D . 35 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1391 . 4 1 15 LEU C C 2.428 1.452 3.134 . . . 1.0 . . . . . . . . . . . . D . 36 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1392 . 4 1 15 LEU CA C 3.211 2.729 2.883 . . . 1.0 . . . . . . . . . . . . D . 36 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1393 . 4 1 15 LEU CB C 2.712 3.810 3.877 . . . 1.0 . . . . . . . . . . . . D . 36 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1394 . 4 1 15 LEU CD1 C 2.922 6.157 4.821 . . . 1.0 . . . . . . . . . . . . D . 36 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1395 . 4 1 15 LEU CD2 C 4.999 4.783 4.397 . . . 1.0 . . . . . . . . . . . . D . 36 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1396 . 4 1 15 LEU CG C 3.569 5.092 3.923 . . . 1.0 . . . . . . . . . . . . D . 36 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1397 . 4 1 15 LEU H H 2.704 4.123 1.325 . . . 1.0 . . . . . . . . . . . . D . 36 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1398 . 4 1 15 LEU HA H 4.233 2.511 3.194 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1399 . 4 1 15 LEU HB2 H 1.704 4.101 3.585 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1400 . 4 1 15 LEU HB3 H 2.715 3.379 4.878 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1401 . 4 1 15 LEU HD11 H 3.549 7.050 4.835 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1402 . 4 1 15 LEU HD12 H 1.937 6.411 4.431 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1403 . 4 1 15 LEU HD13 H 2.823 5.768 5.834 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1404 . 4 1 15 LEU HD21 H 5.465 4.076 3.711 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1405 . 4 1 15 LEU HD22 H 5.582 5.705 4.421 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1406 . 4 1 15 LEU HD23 H 4.965 4.350 5.396 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1407 . 4 1 15 LEU HG H 3.688 5.522 2.930 . . . 1.0 . . . . . . . . . . . . D . 36 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1408 . 4 1 15 LEU N N 3.120 3.197 1.498 . . . 1.0 . . . . . . . . . . . . D . 36 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1409 . 4 1 15 LEU O O 2.916 0.544 3.800 . . . 1.0 . . . . . . . . . . . . D . 36 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1410 . 4 1 16 HIS C C 1.025 -1.073 1.962 . . . 1.0 . . . . . . . . . . . . D . 37 HIS C . . . . . . . . . c16020_2kad 1 . 1 . 1411 . 4 1 16 HIS CA C 0.380 0.141 2.648 . . . 1.0 . . . . . . . . . . . . D . 37 HIS CA . . . . . . . . . c16020_2kad 1 . 1 . 1412 . 4 1 16 HIS CB C -1.021 0.384 2.043 . . . 1.0 . . . . . . . . . . . . D . 37 HIS CB . . . . . . . . . c16020_2kad 1 . 1 . 1413 . 4 1 16 HIS CD2 C -1.846 -1.955 2.863 . . . 1.0 . . . . . . . . . . . . D . 37 HIS CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1414 . 4 1 16 HIS CE1 C -3.651 -1.973 1.622 . . . 1.0 . . . . . . . . . . . . D . 37 HIS CE1 . . . . . . . . . c16020_2kad 1 . 1 . 1415 . 4 1 16 HIS CG C -1.938 -0.800 2.153 . . . 1.0 . . . . . . . . . . . . D . 37 HIS CG . . . . . . . . . c16020_2kad 1 . 1 . 1416 . 4 1 16 HIS H H 0.824 2.165 2.069 . . . 1.0 . . . . . . . . . . . . D . 37 HIS H . . . . . . . . . c16020_2kad 1 . 1 . 1417 . 4 1 16 HIS HA H 0.174 -0.179 3.669 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HA . . . . . . . . . c16020_2kad 1 . 1 . 1418 . 4 1 16 HIS HB2 H -1.563 1.205 2.513 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1419 . 4 1 16 HIS HB3 H -1.002 0.629 0.981 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1420 . 4 1 16 HIS HD2 H -1.060 -2.230 3.565 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1421 . 4 1 16 HIS HE1 H -4.580 -2.303 1.157 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HE1 . . . . . . . . . c16020_2kad 1 . 1 . 1422 . 4 1 16 HIS HE2 H -3.187 -3.645 2.863 . . . 1.0 . . . . . . . . . . . . D . 37 HIS HE2 . . . . . . . . . c16020_2kad 1 . 1 . 1423 . 4 1 16 HIS N N 1.199 1.350 2.574 . . . 1.0 . . . . . . . . . . . . D . 37 HIS N . . . . . . . . . c16020_2kad 1 . 1 . 1424 . 4 1 16 HIS ND1 N -3.080 -0.812 1.385 . . . 1.0 . . . . . . . . . . . . D . 37 HIS ND1 . . . . . . . . . c16020_2kad 1 . 1 . 1425 . 4 1 16 HIS NE2 N -2.946 -2.707 2.513 . . . 1.0 . . . . . . . . . . . . D . 37 HIS NE2 . . . . . . . . . c16020_2kad 1 . 1 . 1426 . 4 1 16 HIS O O 1.037 -2.179 2.496 . . . 1.0 . . . . . . . . . . . . D . 37 HIS O . . . . . . . . . c16020_2kad 1 . 1 . 1427 . 4 1 17 LEU C C 3.608 -2.398 0.776 . . . 1.0 . . . . . . . . . . . . D . 38 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1428 . 4 1 17 LEU CA C 2.353 -1.913 0.054 . . . 1.0 . . . . . . . . . . . . D . 38 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1429 . 4 1 17 LEU CB C 2.728 -1.413 -1.365 . . . 1.0 . . . . . . . . . . . . D . 38 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1430 . 4 1 17 LEU CD1 C 1.816 0.087 -3.256 . . . 1.0 . . . . . . . . . . . . D . 38 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1431 . 4 1 17 LEU CD2 C 1.272 -2.370 -3.191 . . . 1.0 . . . . . . . . . . . . D . 38 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1432 . 4 1 17 LEU CG C 1.559 -1.125 -2.335 . . . 1.0 . . . . . . . . . . . . D . 38 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1433 . 4 1 17 LEU H H 1.585 0.070 0.348 . . . 1.0 . . . . . . . . . . . . D . 38 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1434 . 4 1 17 LEU HA H 1.763 -2.813 -0.118 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1435 . 4 1 17 LEU HB2 H 3.278 -0.479 -1.251 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1436 . 4 1 17 LEU HB3 H 3.343 -2.180 -1.835 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1437 . 4 1 17 LEU HD11 H 0.957 0.234 -3.910 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1438 . 4 1 17 LEU HD12 H 1.965 0.980 -2.648 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1439 . 4 1 17 LEU HD13 H 2.705 -0.096 -3.859 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1440 . 4 1 17 LEU HD21 H 1.004 -3.204 -2.544 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1441 . 4 1 17 LEU HD22 H 0.449 -2.161 -3.874 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1442 . 4 1 17 LEU HD23 H 2.162 -2.629 -3.766 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1443 . 4 1 17 LEU HG H 0.619 -0.908 -1.827 . . . 1.0 . . . . . . . . . . . . D . 38 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1444 . 4 1 17 LEU N N 1.633 -0.869 0.769 . . . 1.0 . . . . . . . . . . . . D . 38 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1445 . 4 1 17 LEU O O 3.889 -3.594 0.819 . . . 1.0 . . . . . . . . . . . . D . 38 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1446 . 4 1 18 ILE C C 5.220 -2.705 3.381 . . . 1.0 . . . . . . . . . . . . D . 39 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1447 . 4 1 18 ILE CA C 5.554 -1.780 2.207 . . . 1.0 . . . . . . . . . . . . D . 39 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1448 . 4 1 18 ILE CB C 6.212 -0.477 2.677 . . . 1.0 . . . . . . . . . . . . D . 39 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1449 . 4 1 18 ILE CD1 C 7.145 1.738 1.757 . . . 1.0 . . . . . . . . . . . . D . 39 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1450 . 4 1 18 ILE CG1 C 6.822 0.268 1.458 . . . 1.0 . . . . . . . . . . . . D . 39 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1451 . 4 1 18 ILE CG2 C 7.286 -0.744 3.756 . . . 1.0 . . . . . . . . . . . . D . 39 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1452 . 4 1 18 ILE H H 4.122 -0.486 1.277 . . . 1.0 . . . . . . . . . . . . D . 39 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1453 . 4 1 18 ILE HA H 6.338 -2.275 1.633 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1454 . 4 1 18 ILE HB H 5.481 0.207 3.108 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1455 . 4 1 18 ILE HD11 H 7.865 1.793 2.574 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1456 . 4 1 18 ILE HD12 H 7.570 2.206 0.869 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1457 . 4 1 18 ILE HD13 H 6.233 2.261 2.043 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1458 . 4 1 18 ILE HG12 H 7.756 -0.177 1.112 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1459 . 4 1 18 ILE HG13 H 6.160 0.280 0.593 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1460 . 4 1 18 ILE HG21 H 7.731 0.201 4.067 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1461 . 4 1 18 ILE HG22 H 6.825 -1.228 4.617 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1462 . 4 1 18 ILE HG23 H 8.059 -1.393 3.346 . . . 1.0 . . . . . . . . . . . . D . 39 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1463 . 4 1 18 ILE N N 4.380 -1.476 1.391 . . . 1.0 . . . . . . . . . . . . D . 39 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1464 . 4 1 18 ILE O O 5.886 -3.713 3.604 . . . 1.0 . . . . . . . . . . . . D . 39 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1465 . 4 1 19 ALA C C 3.323 -4.680 4.745 . . . 1.0 . . . . . . . . . . . . D . 40 ALA C . . . . . . . . . c16020_2kad 1 . 1 . 1466 . 4 1 19 ALA CA C 3.650 -3.256 5.196 . . . 1.0 . . . . . . . . . . . . D . 40 ALA CA . . . . . . . . . c16020_2kad 1 . 1 . 1467 . 4 1 19 ALA CB C 2.467 -2.569 5.903 . . . 1.0 . . . . . . . . . . . . D . 40 ALA CB . . . . . . . . . c16020_2kad 1 . 1 . 1468 . 4 1 19 ALA H H 3.622 -1.519 3.917 . . . 1.0 . . . . . . . . . . . . D . 40 ALA H . . . . . . . . . c16020_2kad 1 . 1 . 1469 . 4 1 19 ALA HA H 4.482 -3.216 5.898 . . . 1.0 . . . . . . . . . . . . D . 40 ALA HA . . . . . . . . . c16020_2kad 1 . 1 . 1470 . 4 1 19 ALA HB1 H 2.188 -3.144 6.788 . . . 1.0 . . . . . . . . . . . . D . 40 ALA HB1 . . . . . . . . . c16020_2kad 1 . 1 . 1471 . 4 1 19 ALA HB2 H 2.757 -1.563 6.202 . . . 1.0 . . . . . . . . . . . . D . 40 ALA HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1472 . 4 1 19 ALA HB3 H 1.617 -2.517 5.223 . . . 1.0 . . . . . . . . . . . . D . 40 ALA HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1473 . 4 1 19 ALA N N 4.129 -2.392 4.121 . . . 1.0 . . . . . . . . . . . . D . 40 ALA N . . . . . . . . . c16020_2kad 1 . 1 . 1474 . 4 1 19 ALA O O 3.774 -5.655 5.343 . . . 1.0 . . . . . . . . . . . . D . 40 ALA O . . . . . . . . . c16020_2kad 1 . 1 . 1475 . 4 1 20 TRP C C 3.490 -6.940 2.638 . . . 1.0 . . . . . . . . . . . . D . 41 TRP C . . . . . . . . . c16020_2kad 1 . 1 . 1476 . 4 1 20 TRP CA C 2.263 -6.107 3.022 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CA . . . . . . . . . c16020_2kad 1 . 1 . 1477 . 4 1 20 TRP CB C 1.350 -5.845 1.792 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CB . . . . . . . . . c16020_2kad 1 . 1 . 1478 . 4 1 20 TRP CD1 C -0.265 -7.844 1.347 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1479 . 4 1 20 TRP CD2 C 1.455 -7.667 -0.087 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1480 . 4 1 20 TRP CE2 C 0.664 -8.773 -0.464 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CE2 . . . . . . . . . c16020_2kad 1 . 1 . 1481 . 4 1 20 TRP CE3 C 2.602 -7.334 -0.794 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CE3 . . . . . . . . . c16020_2kad 1 . 1 . 1482 . 4 1 20 TRP CG C 0.836 -7.079 1.065 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CG . . . . . . . . . c16020_2kad 1 . 1 . 1483 . 4 1 20 TRP CH2 C 2.180 -9.224 -2.274 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CH2 . . . . . . . . . c16020_2kad 1 . 1 . 1484 . 4 1 20 TRP CZ2 C 1.009 -9.555 -1.566 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CZ2 . . . . . . . . . c16020_2kad 1 . 1 . 1485 . 4 1 20 TRP CZ3 C 2.962 -8.126 -1.895 . . . 1.0 . . . . . . . . . . . . D . 41 TRP CZ3 . . . . . . . . . c16020_2kad 1 . 1 . 1486 . 4 1 20 TRP H H 2.245 -3.971 3.161 . . . 1.0 . . . . . . . . . . . . D . 41 TRP H . . . . . . . . . c16020_2kad 1 . 1 . 1487 . 4 1 20 TRP HA H 1.674 -6.755 3.674 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HA . . . . . . . . . c16020_2kad 1 . 1 . 1488 . 4 1 20 TRP HB2 H 0.476 -5.289 2.136 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1489 . 4 1 20 TRP HB3 H 1.923 -5.264 1.068 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1490 . 4 1 20 TRP HD1 H -0.942 -7.677 2.186 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HD1 . . . . . . . . . c16020_2kad 1 . 1 . 1491 . 4 1 20 TRP HE1 H -1.149 -9.558 0.394 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HE1 . . . . . . . . . c16020_2kad 1 . 1 . 1492 . 4 1 20 TRP HE3 H 3.209 -6.478 -0.500 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HE3 . . . . . . . . . c16020_2kad 1 . 1 . 1493 . 4 1 20 TRP HH2 H 2.482 -9.831 -3.129 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HH2 . . . . . . . . . c16020_2kad 1 . 1 . 1494 . 4 1 20 TRP HZ2 H 0.389 -10.400 -1.869 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HZ2 . . . . . . . . . c16020_2kad 1 . 1 . 1495 . 4 1 20 TRP HZ3 H 3.860 -7.883 -2.462 . . . 1.0 . . . . . . . . . . . . D . 41 TRP HZ3 . . . . . . . . . c16020_2kad 1 . 1 . 1496 . 4 1 20 TRP N N 2.592 -4.824 3.622 . . . 1.0 . . . . . . . . . . . . D . 41 TRP N . . . . . . . . . c16020_2kad 1 . 1 . 1497 . 4 1 20 TRP NE1 N -0.394 -8.858 0.421 . . . 1.0 . . . . . . . . . . . . D . 41 TRP NE1 . . . . . . . . . c16020_2kad 1 . 1 . 1498 . 4 1 20 TRP O O 3.598 -8.108 2.989 . . . 1.0 . . . . . . . . . . . . D . 41 TRP O . . . . . . . . . c16020_2kad 1 . 1 . 1499 . 4 1 21 ILE C C 6.539 -7.416 2.833 . . . 1.0 . . . . . . . . . . . . D . 42 ILE C . . . . . . . . . c16020_2kad 1 . 1 . 1500 . 4 1 21 ILE CA C 5.765 -6.931 1.603 . . . 1.0 . . . . . . . . . . . . D . 42 ILE CA . . . . . . . . . c16020_2kad 1 . 1 . 1501 . 4 1 21 ILE CB C 6.604 -5.951 0.765 . . . 1.0 . . . . . . . . . . . . D . 42 ILE CB . . . . . . . . . c16020_2kad 1 . 1 . 1502 . 4 1 21 ILE CD1 C 5.985 -6.926 -1.578 . . . 1.0 . . . . . . . . . . . . D . 42 ILE CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1503 . 4 1 21 ILE CG1 C 5.982 -5.715 -0.635 . . . 1.0 . . . . . . . . . . . . D . 42 ILE CG1 . . . . . . . . . c16020_2kad 1 . 1 . 1504 . 4 1 21 ILE CG2 C 8.080 -6.389 0.638 . . . 1.0 . . . . . . . . . . . . D . 42 ILE CG2 . . . . . . . . . c16020_2kad 1 . 1 . 1505 . 4 1 21 ILE H H 4.323 -5.353 1.662 . . . 1.0 . . . . . . . . . . . . D . 42 ILE H . . . . . . . . . c16020_2kad 1 . 1 . 1506 . 4 1 21 ILE HA H 5.651 -7.794 0.948 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HA . . . . . . . . . c16020_2kad 1 . 1 . 1507 . 4 1 21 ILE HB H 6.621 -4.945 1.186 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HB . . . . . . . . . c16020_2kad 1 . 1 . 1508 . 4 1 21 ILE HD11 H 5.418 -7.741 -1.125 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1509 . 4 1 21 ILE HD12 H 5.527 -6.649 -2.527 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1510 . 4 1 21 ILE HD13 H 7.011 -7.250 -1.751 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1511 . 4 1 21 ILE HG12 H 4.941 -5.420 -0.495 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HG12 . . . . . . . . . c16020_2kad 1 . 1 . 1512 . 4 1 21 ILE HG13 H 6.548 -4.923 -1.126 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HG13 . . . . . . . . . c16020_2kad 1 . 1 . 1513 . 4 1 21 ILE HG21 H 8.625 -5.661 0.036 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HG21 . . . . . . . . . c16020_2kad 1 . 1 . 1514 . 4 1 21 ILE HG22 H 8.528 -6.448 1.630 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HG22 . . . . . . . . . c16020_2kad 1 . 1 . 1515 . 4 1 21 ILE HG23 H 8.130 -7.366 0.158 . . . 1.0 . . . . . . . . . . . . D . 42 ILE HG23 . . . . . . . . . c16020_2kad 1 . 1 . 1516 . 4 1 21 ILE N N 4.484 -6.327 1.957 . . . 1.0 . . . . . . . . . . . . D . 42 ILE N . . . . . . . . . c16020_2kad 1 . 1 . 1517 . 4 1 21 ILE O O 7.073 -8.523 2.851 . . . 1.0 . . . . . . . . . . . . D . 42 ILE O . . . . . . . . . c16020_2kad 1 . 1 . 1518 . 4 1 22 LEU C C 6.481 -8.219 5.852 . . . 1.0 . . . . . . . . . . . . D . 43 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1519 . 4 1 22 LEU CA C 7.158 -7.014 5.203 . . . 1.0 . . . . . . . . . . . . D . 43 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1520 . 4 1 22 LEU CB C 7.129 -5.799 6.170 . . . 1.0 . . . . . . . . . . . . D . 43 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1521 . 4 1 22 LEU CD1 C 9.374 -6.203 7.332 . . . 1.0 . . . . . . . . . . . . D . 43 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1522 . 4 1 22 LEU CD2 C 7.633 -4.744 8.402 . . . 1.0 . . . . . . . . . . . . D . 43 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1523 . 4 1 22 LEU CG C 7.867 -5.976 7.514 . . . 1.0 . . . . . . . . . . . . D . 43 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1524 . 4 1 22 LEU H H 6.131 -5.699 3.867 . . . 1.0 . . . . . . . . . . . . D . 43 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1525 . 4 1 22 LEU HA H 8.212 -7.285 5.124 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1526 . 4 1 22 LEU HB2 H 7.594 -4.955 5.659 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1527 . 4 1 22 LEU HB3 H 6.086 -5.587 6.406 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1528 . 4 1 22 LEU HD11 H 9.846 -6.321 8.307 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1529 . 4 1 22 LEU HD12 H 9.537 -7.104 6.738 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1530 . 4 1 22 LEU HD13 H 9.812 -5.347 6.818 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1531 . 4 1 22 LEU HD21 H 6.566 -4.629 8.589 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1532 . 4 1 22 LEU HD22 H 8.156 -4.873 9.349 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1533 . 4 1 22 LEU HD23 H 8.010 -3.855 7.896 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1534 . 4 1 22 LEU HG H 7.497 -6.827 8.085 . . . 1.0 . . . . . . . . . . . . D . 43 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1535 . 4 1 22 LEU N N 6.564 -6.631 3.933 . . . 1.0 . . . . . . . . . . . . D . 43 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1536 . 4 1 22 LEU O O 7.139 -9.108 6.390 . . . 1.0 . . . . . . . . . . . . D . 43 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1537 . 4 1 23 ASP C C 4.681 -10.743 5.425 . . . 1.0 . . . . . . . . . . . . D . 44 ASP C . . . . . . . . . c16020_2kad 1 . 1 . 1538 . 4 1 23 ASP CA C 4.395 -9.476 6.221 . . . 1.0 . . . . . . . . . . . . D . 44 ASP CA . . . . . . . . . c16020_2kad 1 . 1 . 1539 . 4 1 23 ASP CB C 2.857 -9.253 6.180 . . . 1.0 . . . . . . . . . . . . D . 44 ASP CB . . . . . . . . . c16020_2kad 1 . 1 . 1540 . 4 1 23 ASP CG C 2.391 -8.158 7.119 . . . 1.0 . . . . . . . . . . . . D . 44 ASP CG . . . . . . . . . c16020_2kad 1 . 1 . 1541 . 4 1 23 ASP H H 4.619 -7.517 5.354 . . . 1.0 . . . . . . . . . . . . D . 44 ASP H . . . . . . . . . c16020_2kad 1 . 1 . 1542 . 4 1 23 ASP HA H 4.662 -9.667 7.261 . . . 1.0 . . . . . . . . . . . . D . 44 ASP HA . . . . . . . . . c16020_2kad 1 . 1 . 1543 . 4 1 23 ASP HB2 H 2.493 -8.968 5.194 . . . 1.0 . . . . . . . . . . . . D . 44 ASP HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1544 . 4 1 23 ASP HB3 H 2.288 -10.139 6.459 . . . 1.0 . . . . . . . . . . . . D . 44 ASP HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1545 . 4 1 23 ASP HD2 H 2.367 -7.689 9.041 . . . 1.0 . . . . . . . . . . . . D . 44 ASP HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1546 . 4 1 23 ASP N N 5.139 -8.307 5.763 . . . 1.0 . . . . . . . . . . . . D . 44 ASP N . . . . . . . . . c16020_2kad 1 . 1 . 1547 . 4 1 23 ASP O O 4.780 -11.817 6.007 . . . 1.0 . . . . . . . . . . . . D . 44 ASP O . . . . . . . . . c16020_2kad 1 . 1 . 1548 . 4 1 23 ASP OD1 O 1.699 -7.214 6.817 . . . 1.0 . . . . . . . . . . . . D . 44 ASP OD1 . . . . . . . . . c16020_2kad 1 . 1 . 1549 . 4 1 23 ASP OD2 O 2.764 -8.410 8.423 . . . 1.0 . . . . . . . . . . . . D . 44 ASP OD2 . . . . . . . . . c16020_2kad 1 . 1 . 1550 . 4 1 24 ARG C C 6.533 -12.319 3.453 . . . 1.0 . . . . . . . . . . . . D . 45 ARG C . . . . . . . . . c16020_2kad 1 . 1 . 1551 . 4 1 24 ARG CA C 5.124 -11.777 3.226 . . . 1.0 . . . . . . . . . . . . D . 45 ARG CA . . . . . . . . . c16020_2kad 1 . 1 . 1552 . 4 1 24 ARG CB C 4.966 -11.365 1.735 . . . 1.0 . . . . . . . . . . . . D . 45 ARG CB . . . . . . . . . c16020_2kad 1 . 1 . 1553 . 4 1 24 ARG CD C 2.770 -12.560 1.142 . . . 1.0 . . . . . . . . . . . . D . 45 ARG CD . . . . . . . . . c16020_2kad 1 . 1 . 1554 . 4 1 24 ARG CG C 3.504 -11.224 1.260 . . . 1.0 . . . . . . . . . . . . D . 45 ARG CG . . . . . . . . . c16020_2kad 1 . 1 . 1555 . 4 1 24 ARG CZ C 0.478 -13.236 0.368 . . . 1.0 . . . . . . . . . . . . D . 45 ARG CZ . . . . . . . . . c16020_2kad 1 . 1 . 1556 . 4 1 24 ARG H H 4.685 -9.720 3.648 . . . 1.0 . . . . . . . . . . . . D . 45 ARG H . . . . . . . . . c16020_2kad 1 . 1 . 1557 . 4 1 24 ARG HA H 4.449 -12.619 3.378 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HA . . . . . . . . . c16020_2kad 1 . 1 . 1558 . 4 1 24 ARG HB2 H 5.453 -10.398 1.595 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1559 . 4 1 24 ARG HB3 H 5.444 -12.127 1.119 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1560 . 4 1 24 ARG HD2 H 3.332 -13.196 0.457 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HD2 . . . . . . . . . c16020_2kad 1 . 1 . 1561 . 4 1 24 ARG HD3 H 2.724 -13.008 2.135 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HD3 . . . . . . . . . c16020_2kad 1 . 1 . 1562 . 4 1 24 ARG HG2 H 2.887 -10.618 1.923 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HG2 . . . . . . . . . c16020_2kad 1 . 1 . 1563 . 4 1 24 ARG HG3 H 3.409 -10.760 0.279 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HG3 . . . . . . . . . c16020_2kad 1 . 1 . 1564 . 4 1 24 ARG HH11 H 1.663 -14.806 0.915 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HH11 . . . . . . . . . c16020_2kad 1 . 1 . 1565 . 4 1 24 ARG HH12 H 0.016 -15.224 0.369 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HH12 . . . . . . . . . c16020_2kad 1 . 1 . 1566 . 4 1 24 ARG HH21 H -0.872 -11.826 -0.239 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HH21 . . . . . . . . . c16020_2kad 1 . 1 . 1567 . 4 1 24 ARG HH22 H -1.435 -13.518 -0.293 . . . 1.0 . . . . . . . . . . . . D . 45 ARG HH22 . . . . . . . . . c16020_2kad 1 . 1 . 1568 . 4 1 24 ARG N N 4.813 -10.645 4.085 . . . 1.0 . . . . . . . . . . . . D . 45 ARG N . . . . . . . . . c16020_2kad 1 . 1 . 1569 . 4 1 24 ARG NE N 1.397 -12.290 0.613 . . . 1.0 . . . . . . . . . . . . D . 45 ARG NE . . . . . . . . . c16020_2kad 1 . 1 . 1570 . 4 1 24 ARG NH1 N 0.737 -14.516 0.565 . . . 1.0 . . . . . . . . . . . . D . 45 ARG NH1 . . . . . . . . . c16020_2kad 1 . 1 . 1571 . 4 1 24 ARG NH2 N -0.696 -12.831 -0.088 . . . 1.0 . . . . . . . . . . . . D . 45 ARG NH2 . . . . . . . . . c16020_2kad 1 . 1 . 1572 . 4 1 24 ARG O O 6.773 -13.518 3.357 . . . 1.0 . . . . . . . . . . . . D . 45 ARG O . . . . . . . . . c16020_2kad 1 . 1 . 1573 . 4 1 25 LEU C C 8.970 -12.515 5.435 . . . 1.0 . . . . . . . . . . . . D . 46 LEU C . . . . . . . . . c16020_2kad 1 . 1 . 1574 . 4 1 25 LEU CA C 8.861 -11.797 4.097 . . . 1.0 . . . . . . . . . . . . D . 46 LEU CA . . . . . . . . . c16020_2kad 1 . 1 . 1575 . 4 1 25 LEU CB C 9.715 -10.500 4.128 . . . 1.0 . . . . . . . . . . . . D . 46 LEU CB . . . . . . . . . c16020_2kad 1 . 1 . 1576 . 4 1 25 LEU CD1 C 11.874 -11.457 3.113 . . . 1.0 . . . . . . . . . . . . D . 46 LEU CD1 . . . . . . . . . c16020_2kad 1 . 1 . 1577 . 4 1 25 LEU CD2 C 11.921 -9.315 4.424 . . . 1.0 . . . . . . . . . . . . D . 46 LEU CD2 . . . . . . . . . c16020_2kad 1 . 1 . 1578 . 4 1 25 LEU CG C 11.242 -10.684 4.287 . . . 1.0 . . . . . . . . . . . . D . 46 LEU CG . . . . . . . . . c16020_2kad 1 . 1 . 1579 . 4 1 25 LEU H H 7.245 -10.432 3.801 . . . 1.0 . . . . . . . . . . . . D . 46 LEU H . . . . . . . . . c16020_2kad 1 . 1 . 1580 . 4 1 25 LEU HA H 9.296 -12.464 3.353 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HA . . . . . . . . . c16020_2kad 1 . 1 . 1581 . 4 1 25 LEU HB2 H 9.557 -9.974 3.186 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HB2 . . . . . . . . . c16020_2kad 1 . 1 . 1582 . 4 1 25 LEU HB3 H 9.379 -9.901 4.974 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HB3 . . . . . . . . . c16020_2kad 1 . 1 . 1583 . 4 1 25 LEU HD11 H 12.947 -11.556 3.278 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD11 . . . . . . . . . c16020_2kad 1 . 1 . 1584 . 4 1 25 LEU HD12 H 11.424 -12.448 3.045 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD12 . . . . . . . . . c16020_2kad 1 . 1 . 1585 . 4 1 25 LEU HD13 H 11.698 -10.914 2.183 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD13 . . . . . . . . . c16020_2kad 1 . 1 . 1586 . 4 1 25 LEU HD21 H 11.528 -8.800 5.301 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD21 . . . . . . . . . c16020_2kad 1 . 1 . 1587 . 4 1 25 LEU HD22 H 12.997 -9.452 4.535 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD22 . . . . . . . . . c16020_2kad 1 . 1 . 1588 . 4 1 25 LEU HD23 H 11.722 -8.718 3.534 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HD23 . . . . . . . . . c16020_2kad 1 . 1 . 1589 . 4 1 25 LEU HG H 11.509 -11.235 5.187 . . . 1.0 . . . . . . . . . . . . D . 46 LEU HG . . . . . . . . . c16020_2kad 1 . 1 . 1590 . 4 1 25 LEU N N 7.496 -11.431 3.778 . . . 1.0 . . . . . . . . . . . . D . 46 LEU N . . . . . . . . . c16020_2kad 1 . 1 . 1591 . 4 1 25 LEU O O 9.690 -13.510 5.571 . . . 1.0 . . . . . . . . . . . . D . 46 LEU O . . . . . . . . . c16020_2kad 1 . 1 . 1592 . 4 1 25 LEU OXT O 8.405 -12.144 6.289 . . . 1.0 . . . . . . . . . . . . D . 46 LEU OXT . . . . . . . . . c16020_2kad 1 . 1 . 1593 . 5 2 1 308 C1 C -1.468 3.053 -8.292 . . . 1.0 . . . . . . . . . . . . A . 1 308 C1 . . . . . . . . . c16020_2kad 1 . 1 . 1594 . 5 2 1 308 C10 C -0.195 5.226 -8.241 . . . 1.0 . . . . . . . . . . . . A . 1 308 C10 . . . . . . . . . c16020_2kad 1 . 1 . 1595 . 5 2 1 308 C2 C -2.290 3.561 -7.093 . . . 1.0 . . . . . . . . . . . . A . 1 308 C2 . . . . . . . . . c16020_2kad 1 . 1 . 1596 . 5 2 1 308 C3 C -1.573 4.523 -6.256 . . . 1.0 . . . . . . . . . . . . A . 1 308 C3 . . . . . . . . . c16020_2kad 1 . 1 . 1597 . 5 2 1 308 C4 C -0.350 3.797 -5.665 . . . 1.0 . . . . . . . . . . . . A . 1 308 C4 . . . . . . . . . c16020_2kad 1 . 1 . 1598 . 5 2 1 308 C5 C 0.551 3.298 -6.808 . . . 1.0 . . . . . . . . . . . . A . 1 308 C5 . . . . . . . . . c16020_2kad 1 . 1 . 1599 . 5 2 1 308 C6 C -0.247 2.323 -7.701 . . . 1.0 . . . . . . . . . . . . A . 1 308 C6 . . . . . . . . . c16020_2kad 1 . 1 . 1600 . 5 2 1 308 C7 C -0.991 4.254 -9.133 . . . 1.0 . . . . . . . . . . . . A . 1 308 C7 . . . . . . . . . c16020_2kad 1 . 1 . 1601 . 5 2 1 308 C8 C 1.027 4.497 -7.651 . . . 1.0 . . . . . . . . . . . . A . 1 308 C8 . . . . . . . . . c16020_2kad 1 . 1 . 1602 . 5 2 1 308 C9 C -1.034 5.830 -7.100 . . . 1.0 . . . . . . . . . . . . A . 1 308 C9 . . . . . . . . . c16020_2kad 1 . 1 . 1603 . 5 2 1 308 H1 H -2.012 2.254 -8.795 . . . 1.0 . . . . . . . . . . . . A . 1 308 H1 . . . . . . . . . c16020_2kad 1 . 1 . 1604 . 5 2 1 308 H2 H -2.688 4.528 -7.316 . . . 1.0 . . . . . . . . . . . . A . 1 308 H2 . . . . . . . . . c16020_2kad 1 . 1 . 1605 . 5 2 1 308 H2A H -3.277 3.149 -7.136 . . . 1.0 . . . . . . . . . . . . A . 1 308 H2A . . . . . . . . . c16020_2kad 1 . 1 . 1606 . 5 2 1 308 H3 H -2.246 4.790 -5.468 . . . 1.0 . . . . . . . . . . . . A . 1 308 H3 . . . . . . . . . c16020_2kad 1 . 1 . 1607 . 5 2 1 308 H4 H 0.212 4.484 -5.033 . . . 1.0 . . . . . . . . . . . . A . 1 308 H4 . . . . . . . . . c16020_2kad 1 . 1 . 1608 . 5 2 1 308 H4A H -0.678 2.963 -5.080 . . . 1.0 . . . . . . . . . . . . A . 1 308 H4A . . . . . . . . . c16020_2kad 1 . 1 . 1609 . 5 2 1 308 H5 H 1.400 2.791 -6.398 . . . 1.0 . . . . . . . . . . . . A . 1 308 H5 . . . . . . . . . c16020_2kad 1 . 1 . 1610 . 5 2 1 308 H6 H -0.579 1.489 -7.117 . . . 1.0 . . . . . . . . . . . . A . 1 308 H6 . . . . . . . . . c16020_2kad 1 . 1 . 1611 . 5 2 1 308 H6A H 0.379 1.974 -8.495 . . . 1.0 . . . . . . . . . . . . A . 1 308 H6A . . . . . . . . . c16020_2kad 1 . 1 . 1612 . 5 2 1 308 H7 H -1.839 4.761 -9.544 . . . 1.0 . . . . . . . . . . . . A . 1 308 H7 . . . . . . . . . c16020_2kad 1 . 1 . 1613 . 5 2 1 308 H7A H -0.364 3.905 -9.928 . . . 1.0 . . . . . . . . . . . . A . 1 308 H7A . . . . . . . . . c16020_2kad 1 . 1 . 1614 . 5 2 1 308 H8 H 1.580 5.173 -7.031 . . . 1.0 . . . . . . . . . . . . A . 1 308 H8 . . . . . . . . . c16020_2kad 1 . 1 . 1615 . 5 2 1 308 H8A H 1.653 4.148 -8.444 . . . 1.0 . . . . . . . . . . . . A . 1 308 H8A . . . . . . . . . c16020_2kad 1 . 1 . 1616 . 5 2 1 308 H9 H -0.376 6.325 -6.386 . . . 1.0 . . . . . . . . . . . . A . 1 308 H9 . . . . . . . . . c16020_2kad 1 . 1 . 1617 . 5 2 1 308 H9A H -1.840 6.400 -7.513 . . . 1.0 . . . . . . . . . . . . A . 1 308 H9A . . . . . . . . . c16020_2kad 1 . 1 . 1618 . 5 2 1 308 HN1 H 0.439 5.977 -10.059 . . . 1.0 . . . . . . . . . . . . A . 1 308 HN1 . . . . . . . . . c16020_2kad 1 . 1 . 1619 . 5 2 1 308 HN1A H -0.311 7.114 -9.073 . . . 1.0 . . . . . . . . . . . . A . 1 308 HN1A . . . . . . . . . c16020_2kad 1 . 1 . 1620 . 5 2 1 308 N1 N 0.339 6.314 -9.091 . . . 1.0 . . . . . . . . . . . . A . 1 308 N1 . . . . . . . . . c16020_2kad 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c16020_2kad _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 2kad.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c16020_2kad 1 1 2kad.mr . . n/a 2 comment 'Not applicable' 'Not applicable' 0 c16020_2kad 1 1 2kad.mr . . XPLOR/CNS 3 distance NOE simple 2 c16020_2kad 1 1 2kad.mr . . n/a 4 comment 'Not applicable' 'Not applicable' 0 c16020_2kad 1 1 2kad.mr . . XPLOR/CNS 5 'dihedral angle' 'Not applicable' 'Not applicable' 28 c16020_2kad 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c16020_2kad _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c16020_2kad 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 'CaH(i)-NH(j) long range' 1 1 1 26 c16020_2kad 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 3 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.30.HZ' (nmrStar names),'B.30.HZ' (nmrStar names) not linked" c16020_2kad 1 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.41.HZ3' (nmrStar names),'B.41.HZ3' (nmrStar names) not linked" c16020_2kad 1 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Entry_ID c16020_2kad _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c16020_2kad 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; ! !phi restraints !26 ; 1 1 3 8 c16020_2kad 1 2 !27 6 3 6 8 c16020_2kad 1 3 !28 9 3 9 7 c16020_2kad 1 4 !29 12 3 12 7 c16020_2kad 1 5 !30 15 3 15 7 c16020_2kad 1 6 !31 18 3 18 7 c16020_2kad 1 7 !32 21 3 21 8 c16020_2kad 1 8 !33 24 3 24 7 c16020_2kad 1 9 !34 27 3 27 8 c16020_2kad 1 10 !35 30 3 30 7 c16020_2kad 1 11 !36 33 3 33 7 c16020_2kad 1 12 !37 36 3 36 7 c16020_2kad 1 13 !38 39 3 39 7 c16020_2kad 1 14 ; !psi restraints !26 ; 44 1 45 5 c16020_2kad 1 15 !27 48 1 48 5 c16020_2kad 1 16 !28 51 1 51 5 c16020_2kad 1 17 !29 54 1 54 5 c16020_2kad 1 18 !30 57 1 57 5 c16020_2kad 1 19 !31 60 1 60 5 c16020_2kad 1 20 !32 63 1 63 5 c16020_2kad 1 21 !33 66 1 66 5 c16020_2kad 1 22 !34 69 1 69 5 c16020_2kad 1 23 !35 72 1 72 5 c16020_2kad 1 24 !36 75 1 75 5 c16020_2kad 1 25 !37 78 1 78 5 c16020_2kad 1 26 !38 81 1 81 5 c16020_2kad 1 27 ; !chi 1 !27 ; 87 1 88 7 c16020_2kad 1 28 !28 91 3 91 7 c16020_2kad 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 5 1 1 "Not handling restraint 1, resonance(s) ' .25.C' (nmrStar names),' .26.N' (nmrStar names),' .26.CA' (nmrStar names),' .26.C' (nmrStar names) not linked" c16020_2kad 1 2 5 2 1 "Not handling restraint 2, resonance(s) ' .26.C' (nmrStar names),' .27.N' (nmrStar names),' .27.CA' (nmrStar names),' .27.C' (nmrStar names) not linked" c16020_2kad 1 3 5 3 1 "Not handling restraint 3, resonance(s) ' .27.C' (nmrStar names),' .28.N' (nmrStar names),' .28.CA' (nmrStar names),' .28.C' (nmrStar names) not linked" c16020_2kad 1 4 5 4 1 "Not handling restraint 4, resonance(s) ' .28.C' (nmrStar names),' .29.N' (nmrStar names),' .29.CA' (nmrStar names),' .29.C' (nmrStar names) not linked" c16020_2kad 1 5 5 5 1 "Not handling restraint 5, resonance(s) ' .29.C' (nmrStar names),' .30.N' (nmrStar names),' .30.CA' (nmrStar names),' .30.C' (nmrStar names) not linked" c16020_2kad 1 6 5 6 1 "Not handling restraint 6, resonance(s) ' .30.C' (nmrStar names),' .31.N' (nmrStar names),' .31.CA' (nmrStar names),' .31.C' (nmrStar names) not linked" c16020_2kad 1 7 5 7 1 "Not handling restraint 7, resonance(s) ' .31.C' (nmrStar names),' .32.N' (nmrStar names),' .32.CA' (nmrStar names),' .32.C' (nmrStar names) not linked" c16020_2kad 1 8 5 8 1 "Not handling restraint 8, resonance(s) ' .32.C' (nmrStar names),' .33.N' (nmrStar names),' .33.CA' (nmrStar names),' .33.C' (nmrStar names) not linked" c16020_2kad 1 9 5 9 1 "Not handling restraint 9, resonance(s) ' .33.C' (nmrStar names),' .34.N' (nmrStar names),' .34.CA' (nmrStar names),' .34.C' (nmrStar names) not linked" c16020_2kad 1 10 5 10 1 "Not handling restraint 10, resonance(s) ' .34.C' (nmrStar names),' .35.N' (nmrStar names),' .35.CA' (nmrStar names),' .35.C' (nmrStar names) not linked" c16020_2kad 1 11 5 11 1 "Not handling restraint 11, resonance(s) ' .35.C' (nmrStar names),' .36.N' (nmrStar names),' .36.CA' (nmrStar names),' .36.C' (nmrStar names) not linked" c16020_2kad 1 12 5 12 1 "Not handling restraint 12, resonance(s) ' .36.C' (nmrStar names),' .37.N' (nmrStar names),' .37.CA' (nmrStar names),' .37.C' (nmrStar names) not linked" c16020_2kad 1 13 5 13 1 "Not handling restraint 13, resonance(s) ' .37.C' (nmrStar names),' .38.N' (nmrStar names),' .38.CA' (nmrStar names),' .38.C' (nmrStar names) not linked" c16020_2kad 1 14 5 14 1 "Not handling restraint 14, resonance(s) ' .26.N' (nmrStar names),' .26.CA' (nmrStar names),' .26.C' (nmrStar names),' .27.N' (nmrStar names) not linked" c16020_2kad 1 15 5 15 1 "Not handling restraint 15, resonance(s) ' .27.N' (nmrStar names),' .27.CA' (nmrStar names),' .27.C' (nmrStar names),' .28.N' (nmrStar names) not linked" c16020_2kad 1 16 5 16 1 "Not handling restraint 16, resonance(s) ' .28.N' (nmrStar names),' .28.CA' (nmrStar names),' .28.C' (nmrStar names),' .29.N' (nmrStar names) not linked" c16020_2kad 1 17 5 17 1 "Not handling restraint 17, resonance(s) ' .29.N' (nmrStar names),' .29.CA' (nmrStar names),' .29.C' (nmrStar names),' .30.N' (nmrStar names) not linked" c16020_2kad 1 18 5 18 1 "Not handling restraint 18, resonance(s) ' .30.N' (nmrStar names),' .30.CA' (nmrStar names),' .30.C' (nmrStar names),' .31.N' (nmrStar names) not linked" c16020_2kad 1 19 5 19 1 "Not handling restraint 19, resonance(s) ' .31.N' (nmrStar names),' .31.CA' (nmrStar names),' .31.C' (nmrStar names),' .32.N' (nmrStar names) not linked" c16020_2kad 1 20 5 20 1 "Not handling restraint 20, resonance(s) ' .32.N' (nmrStar names),' .32.CA' (nmrStar names),' .32.C' (nmrStar names),' .33.N' (nmrStar names) not linked" c16020_2kad 1 21 5 21 1 "Not handling restraint 21, resonance(s) ' .33.N' (nmrStar names),' .33.CA' (nmrStar names),' .33.C' (nmrStar names),' .34.N' (nmrStar names) not linked" c16020_2kad 1 22 5 22 1 "Not handling restraint 22, resonance(s) ' .34.N' (nmrStar names),' .34.CA' (nmrStar names),' .34.C' (nmrStar names),' .35.N' (nmrStar names) not linked" c16020_2kad 1 23 5 23 1 "Not handling restraint 23, resonance(s) ' .35.N' (nmrStar names),' .35.CA' (nmrStar names),' .35.C' (nmrStar names),' .36.N' (nmrStar names) not linked" c16020_2kad 1 24 5 24 1 "Not handling restraint 24, resonance(s) ' .36.N' (nmrStar names),' .36.CA' (nmrStar names),' .36.C' (nmrStar names),' .37.N' (nmrStar names) not linked" c16020_2kad 1 25 5 25 1 "Not handling restraint 25, resonance(s) ' .37.N' (nmrStar names),' .37.CA' (nmrStar names),' .37.C' (nmrStar names),' .38.N' (nmrStar names) not linked" c16020_2kad 1 26 5 26 1 "Not handling restraint 26, resonance(s) ' .38.N' (nmrStar names),' .38.CA' (nmrStar names),' .38.C' (nmrStar names),' .39.N' (nmrStar names) not linked" c16020_2kad 1 27 5 27 1 "Not handling restraint 27, resonance(s) ' .27.N' (nmrStar names),' .27.CA' (nmrStar names),' .27.CB' (nmrStar names),' .27.CG1' (nmrStar names) not linked" c16020_2kad 1 28 5 28 1 "Not handling restraint 28, resonance(s) ' .28.N' (nmrStar names),' .28.CA' (nmrStar names),' .28.CB' (nmrStar names),' .28.CG1' (nmrStar names) not linked" c16020_2kad 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16020_2kad _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 MEMBRANE PROTEIN 04-NOV-08 2KAD *TITLE MAGIC-ANGLE-SPINNING SOLID-STATE NMR STRUCTURE OF INFLUENZA *TITLE 2 A M2 TRANSMEMBRANE DOMAIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRANSMEMBRANE PEPTIDE OF MATRIX PROTEIN 2; *COMPND 3 CHAIN: A, B, C, D; *COMPND 4 FRAGMENT: TRANSMEMBRANE PEPTIDE OF INFLUENZA A M2 PROTEIN: *COMPND 5 UNP RESIDUES 22-46; *COMPND 6 SYNONYM: PROTON CHANNEL PROTEIN M2; *COMPND 7 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS *KEYWDS TRANSMEMBRANE HELIX, PROTON CHANNEL, LIPID BILAYERS, *KEYWDS 2 INFLUENZA A, SOLID-STATE NMR, ALTERNATIVE SPLICING, *KEYWDS 3 HYDROGEN ION TRANSPORT, ION TRANSPORT, IONIC CHANNEL, *KEYWDS 4 LIPOPROTEIN, PALMITATE, PHOSPHOPROTEIN, SIGNAL-ANCHOR, *KEYWDS 5 TRANSPORT, VIRION, MEMBRANE PROTEIN *EXPDTA NMR *AUTHOR M.HONG, S.D.CADY, T.V.MISHANINA *REVDAT 2 02-DEC-08 2KAD 1 CORRECTED FORMAT OF DATA FILE *REVDAT 1 18-NOV-08 2KAD 0' save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_framecode MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16020_2kad _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; set echo=true end set wrnlev=5 end ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c16020_2kad _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; set echo=false end set wrnlev=0 end ; save_