data_c34065_5mf3 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34065_5mf3 _Entry.Title ; NMR solution structure of Harzianin HK-VI in SDS micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-17 _Entry.Accession_date 2016-11-17 _Entry.Last_release_date 2016-12-12 _Entry.Original_release_date 2016-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Kara S. . . . c34065_5mf3 2 H. Zamora-Carreras H. . . . c34065_5mf3 3 S. Afonin S. . . . c34065_5mf3 4 S. Grage S. L. . . c34065_5mf3 5 A. Ulrich A. S. . . c34065_5mf3 6 M. Jimenez M. A. . . c34065_5mf3 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aminoisobutyric acid (Aib)' . c34065_5mf3 'Beta-bend ribbon spiral' . c34065_5mf3 'Membrane activity' . c34065_5mf3 Peptaibol . c34065_5mf3 'STRUCTURE FROM CYANA 2.1' . c34065_5mf3 antibiotic . c34065_5mf3 'fungal protein' . c34065_5mf3 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34065_5mf3 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 43 c34065_5mf3 '1H chemical shifts' 101 c34065_5mf3 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-06-07 . original BMRB . c34065_5mf3 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34066 'Harzianin HK-VI in trifluoroethanol' c34065_5mf3 PDB 5MF3 'BMRB Entry Tracking System' c34065_5mf3 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34065_5mf3 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1039/P19960002021 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Isolation and structural elucidation of the 11-residue peptaibol antibiotic, harzianin HK VI ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J.Chem.Soc. Perkin Trans.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0300-922X _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 2021 _Citation.Page_last 2027 _Citation.Year 1996 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sylvie Rebuffat . . . . c34065_5mf3 1 2 Sanae Hlimi . . . . c34065_5mf3 1 3 Yann Prigent . . . . c34065_5mf3 1 4 Christophe Goulard . . . . c34065_5mf3 1 5 Bernard Bodo . . . . c34065_5mf3 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID c34065_5mf3 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 11-mer peptaibol Harzianin HK-VI: conformational and biological analysis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Kara S. . . . c34065_5mf3 2 2 S. Afonin S. . . . c34065_5mf3 2 3 H. Zamora-Carreras H. . . . c34065_5mf3 2 4 A. Bordessa A. . . . c34065_5mf3 2 5 V. Doan V. . . . c34065_5mf3 2 6 N. Takeshita N. . . . c34065_5mf3 2 7 S. Grage S. L. . . c34065_5mf3 2 8 G. Chaume G. . . . c34065_5mf3 2 9 M. Jimenez M. A. . . c34065_5mf3 2 10 R. Fischer R. . . . c34065_5mf3 2 11 M. Bruix M. . . . c34065_5mf3 2 12 T. Brigaud T. . . . c34065_5mf3 2 13 A. Ulrich A. S. . . c34065_5mf3 2 14 S. Rebuffat S. . . . c34065_5mf3 2 15 C. Goulard C. . . . c34065_5mf3 2 16 Y. Prigent Y. . . . c34065_5mf3 2 17 B. Bodo B. . . . c34065_5mf3 2 18 S. Hlimi S. . . . c34065_5mf3 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34065_5mf3 _Assembly.ID 1 _Assembly.Name 'Harzianin HK-VI' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c34065_5mf3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34065_5mf3 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XXNIIXPLLXPX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1159.505 _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 . ACE . c34065_5mf3 1 2 . AIB . c34065_5mf3 1 3 . ASN . c34065_5mf3 1 4 . ILE . c34065_5mf3 1 5 . ILE . c34065_5mf3 1 6 . AIB . c34065_5mf3 1 7 . PRO . c34065_5mf3 1 8 . LEU . c34065_5mf3 1 9 . LEU . c34065_5mf3 1 10 . AIB . c34065_5mf3 1 11 . PRO . c34065_5mf3 1 12 . DCL . c34065_5mf3 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ACE 1 1 c34065_5mf3 1 . AIB 2 2 c34065_5mf3 1 . ASN 3 3 c34065_5mf3 1 . ILE 4 4 c34065_5mf3 1 . ILE 5 5 c34065_5mf3 1 . AIB 6 6 c34065_5mf3 1 . PRO 7 7 c34065_5mf3 1 . LEU 8 8 c34065_5mf3 1 . LEU 9 9 c34065_5mf3 1 . AIB 10 10 c34065_5mf3 1 . PRO 11 11 c34065_5mf3 1 . DCL 12 12 c34065_5mf3 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c34065_5mf3 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 317029 organism . 'Trichoderma pseudokoningii' 'Trichoderma pseudokoningii' . . Eukaryota Fungi Trichoderma pseudokoningii . . . . . . . . . . . . . c34065_5mf3 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 c34065_5mf3 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c34065_5mf3 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c34065_5mf3 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 c34065_5mf3 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 ACE CC=O SMILES_CANONICAL CACTVS 3.341 c34065_5mf3 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c34065_5mf3 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c34065_5mf3 ACE O=CC SMILES ACDLabs 10.04 c34065_5mf3 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c34065_5mf3 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c34065_5mf3 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c34065_5mf3 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c34065_5mf3 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c34065_5mf3 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c34065_5mf3 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c34065_5mf3 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c34065_5mf3 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . c34065_5mf3 ACE 2 . SING C CH3 no N 2 . c34065_5mf3 ACE 3 . SING C H no N 3 . c34065_5mf3 ACE 4 . SING CH3 H1 no N 4 . c34065_5mf3 ACE 5 . SING CH3 H2 no N 5 . c34065_5mf3 ACE 6 . SING CH3 H3 no N 6 . c34065_5mf3 ACE stop_ save_ save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID c34065_5mf3 _Chem_comp.ID AIB _Chem_comp.Provenance PDB _Chem_comp.Name 'ALPHA-AMINOISOBUTYRIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code AIB _Chem_comp.PDB_code AIB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code AIB _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 7 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) _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 ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H9 N O2' _Chem_comp.Formula_weight 103.120 _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 1AMT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 c34065_5mf3 AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c34065_5mf3 AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 c34065_5mf3 AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 c34065_5mf3 AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 c34065_5mf3 AIB stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-amino-2-methyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34065_5mf3 AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c34065_5mf3 AIB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 48.065 . 2.462 . -1.964 . -1.298 0.711 0.969 1 . c34065_5mf3 AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . c34065_5mf3 AIB C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . c34065_5mf3 AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . c34065_5mf3 AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . c34065_5mf3 AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . c34065_5mf3 AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . c34065_5mf3 AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . c34065_5mf3 AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . c34065_5mf3 AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . c34065_5mf3 AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . c34065_5mf3 AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . c34065_5mf3 AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . c34065_5mf3 AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . c34065_5mf3 AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . c34065_5mf3 AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . c34065_5mf3 AIB stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c34065_5mf3 AIB 2 . SING N H no N 2 . c34065_5mf3 AIB 3 . SING N H2 no N 3 . c34065_5mf3 AIB 4 . SING CA C no N 4 . c34065_5mf3 AIB 5 . SING CA CB1 no N 5 . c34065_5mf3 AIB 6 . SING CA CB2 no N 6 . c34065_5mf3 AIB 7 . DOUB C O no N 7 . c34065_5mf3 AIB 8 . SING C OXT no N 8 . c34065_5mf3 AIB 9 . SING OXT HO2 no N 9 . c34065_5mf3 AIB 10 . SING CB1 HB11 no N 10 . c34065_5mf3 AIB 11 . SING CB1 HB12 no N 11 . c34065_5mf3 AIB 12 . SING CB1 HB13 no N 12 . c34065_5mf3 AIB 13 . SING CB2 HB21 no N 13 . c34065_5mf3 AIB 14 . SING CB2 HB22 no N 14 . c34065_5mf3 AIB 15 . SING CB2 HB23 no N 15 . c34065_5mf3 AIB stop_ save_ save_chem_comp_DCL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DCL _Chem_comp.Entry_ID c34065_5mf3 _Chem_comp.ID DCL _Chem_comp.Provenance PDB _Chem_comp.Name 2-AMINO-4-METHYL-PENTAN-1-OL _Chem_comp.Type PEPTIDE-LIKE _Chem_comp.BMRB_code DCL _Chem_comp.PDB_code DCL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 2LU _Chem_comp.One_letter_code X _Chem_comp.Three_letter_code DCL _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 8 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms LEUCINOL _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N O' _Chem_comp.Formula_weight 117.189 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EBK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)CC(CO)N SMILES 'OpenEye OEToolkits' 1.7.2 c34065_5mf3 DCL CC(C)C[C@@H](CO)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 c34065_5mf3 DCL CC(C)C[C@H](N)CO SMILES_CANONICAL CACTVS 3.370 c34065_5mf3 DCL CC(C)C[CH](N)CO SMILES CACTVS 3.370 c34065_5mf3 DCL InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 InChI InChI 1.03 c34065_5mf3 DCL OCC(N)CC(C)C SMILES ACDLabs 12.01 c34065_5mf3 DCL VPSSPAXIFBTOHY-LURJTMIESA-N InChIKey InChI 1.03 c34065_5mf3 DCL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2S)-2-amino-4-methylpentan-1-ol 'SYSTEMATIC NAME' ACDLabs 12.01 c34065_5mf3 DCL (2S)-2-azanyl-4-methyl-pentan-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 c34065_5mf3 DCL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 26.586 . 4.129 . 18.511 . 0.892 0.570 1.412 1 . c34065_5mf3 DCL CA CA CA CA . C . . S 0 . . . 1 no no . . . . 27.166 . 3.551 . 17.305 . 0.739 -0.087 0.107 2 . c34065_5mf3 DCL C C C C . C . . N 0 . . . 1 no no . . . . 28.572 . 2.943 . 17.364 . 1.968 0.204 -0.757 3 . c34065_5mf3 DCL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 27.011 . 4.516 . 16.128 . -0.512 0.448 -0.591 4 . c34065_5mf3 DCL CG CG CG CG . C . . N 0 . . . 1 no no . . . . 25.566 . 4.706 . 15.689 . -1.754 0.042 0.206 5 . c34065_5mf3 DCL CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 no no . . . . 25.550 . 5.546 . 14.446 . -2.992 0.697 -0.409 6 . c34065_5mf3 DCL CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 no no . . . . 24.921 . 3.374 . 15.412 . -1.910 -1.479 0.168 7 . c34065_5mf3 DCL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 28.894 . 2.325 . 18.494 . 3.121 -0.397 -0.163 8 . c34065_5mf3 DCL HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 25.672 . 4.480 . 18.307 . 0.889 1.574 1.314 9 . c34065_5mf3 DCL HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no yes . . . . 26.522 . 3.426 . 19.220 . 0.175 0.268 2.054 10 . c34065_5mf3 DCL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 26.563 . 2.641 . 17.166 . 0.643 -1.163 0.251 11 . c34065_5mf3 DCL HC1 HC1 HC1 HC1 . H . . N 0 . . . 1 no no . . . . 28.643 . 2.202 . 16.554 . 1.817 -0.208 -1.755 12 . c34065_5mf3 DCL HC2 HC2 HC2 HC2 . H . . N 0 . . . 1 no no . . . . 29.290 . 3.764 . 17.224 . 2.116 1.281 -0.827 13 . c34065_5mf3 DCL HB1 HB1 HB1 HB1 . H . . N 0 . . . 1 no no . . . . 27.409 . 5.495 . 16.432 . -0.458 1.535 -0.651 14 . c34065_5mf3 DCL HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 no no . . . . 27.578 . 4.113 . 15.276 . -0.574 0.032 -1.597 15 . c34065_5mf3 DCL HG HG HG HG . H . . N 0 . . . 1 no no . . . . 25.001 . 5.204 . 16.491 . -1.645 0.370 1.240 16 . c34065_5mf3 DCL HD11 HD11 HD11 HD11 . H . . N 0 . . . 0 no no . . . . 24.511 . 5.693 . 14.115 . -3.097 0.375 -1.445 17 . c34065_5mf3 DCL HD12 HD12 HD12 HD12 . H . . N 0 . . . 0 no no . . . . 26.009 . 6.523 . 14.658 . -3.877 0.403 0.155 18 . c34065_5mf3 DCL HD13 HD13 HD13 HD13 . H . . N 0 . . . 0 no no . . . . 26.119 . 5.038 . 13.653 . -2.884 1.781 -0.375 19 . c34065_5mf3 DCL HD21 HD21 HD21 HD21 . H . . N 0 . . . 0 no no . . . . 23.879 . 3.529 . 15.096 . -1.027 -1.946 0.606 20 . c34065_5mf3 DCL HD22 HD22 HD22 HD22 . H . . N 0 . . . 0 no no . . . . 25.473 . 2.859 . 14.612 . -2.794 -1.769 0.736 21 . c34065_5mf3 DCL HD23 HD23 HD23 HD23 . H . . N 0 . . . 0 no no . . . . 24.940 . 2.761 . 16.325 . -2.018 -1.807 -0.866 22 . c34065_5mf3 DCL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 29.779 . 1.986 . 18.429 . 3.939 -0.253 -0.659 23 . c34065_5mf3 DCL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c34065_5mf3 DCL 2 . SING N HN1 no N 2 . c34065_5mf3 DCL 3 . SING N HN2 no N 3 . c34065_5mf3 DCL 4 . SING CA C no N 4 . c34065_5mf3 DCL 5 . SING CA CB no N 5 . c34065_5mf3 DCL 6 . SING CA HA no N 6 . c34065_5mf3 DCL 7 . SING C OXT no N 7 . c34065_5mf3 DCL 8 . SING C HC1 no N 8 . c34065_5mf3 DCL 9 . SING C HC2 no N 9 . c34065_5mf3 DCL 10 . SING CB CG no N 10 . c34065_5mf3 DCL 11 . SING CB HB1 no N 11 . c34065_5mf3 DCL 12 . SING CB HB2 no N 12 . c34065_5mf3 DCL 13 . SING CG CD1 no N 13 . c34065_5mf3 DCL 14 . SING CG CD2 no N 14 . c34065_5mf3 DCL 15 . SING CG HG no N 15 . c34065_5mf3 DCL 16 . SING CD1 HD11 no N 16 . c34065_5mf3 DCL 17 . SING CD1 HD12 no N 17 . c34065_5mf3 DCL 18 . SING CD1 HD13 no N 18 . c34065_5mf3 DCL 19 . SING CD2 HD21 no N 19 . c34065_5mf3 DCL 20 . SING CD2 HD22 no N 20 . c34065_5mf3 DCL 21 . SING CD2 HD23 no N 21 . c34065_5mf3 DCL 22 . SING OXT HXT no N 22 . c34065_5mf3 DCL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34065_5mf3 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1.9 mM Harzianin HK-VI, 185 mM [U-98% 2H] SDS, 90 % H2O, 10 % [U-99% 2H] D2O, 0.2 mM NA DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . c34065_5mf3 1 2 DSS NA . . . . . . 0.2 . . mM . . . . c34065_5mf3 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . c34065_5mf3 1 4 'Harzianin HK-VI' 'natural abundance' 1 $assembly 1 $entity_1 . . 1.9 . . mM . . . . c34065_5mf3 1 5 SDS '[U-98% 2H]' . . . . . . 185 . . mM . . . . c34065_5mf3 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c34065_5mf3 _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 'ionic strength' 0 . mM c34065_5mf3 1 pH 7 . pH* c34065_5mf3 1 pressure 1 . atm c34065_5mf3 1 temperature 298 . K c34065_5mf3 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34065_5mf3 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34065_5mf3 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c34065_5mf3 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34065_5mf3 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c34065_5mf3 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34065_5mf3 2 'data analysis' c34065_5mf3 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c34065_5mf3 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c34065_5mf3 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c34065_5mf3 3 processing c34065_5mf3 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34065_5mf3 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c34065_5mf3 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . c34065_5mf3 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 c34065_5mf3 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34065_5mf3 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34065_5mf3 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34065_5mf3 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34065_5mf3 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c34065_5mf3 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c34065_5mf3 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c34065_5mf3 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c34065_5mf3 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' . . . c34065_5mf3 1 2 '2D 1H-1H TOCSY' . . . c34065_5mf3 1 3 '2D 1H-1H NOESY' . . . c34065_5mf3 1 4 '2D 1H-13C HSQC aliphatic' . . . c34065_5mf3 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ACE H1 H 1 2.063 0.004 . 1 . . . . A 1 ACE H1 . c34065_5mf3 1 2 . 1 1 1 1 ACE H2 H 1 2.063 0.004 . 1 . . . . A 1 ACE H2 . c34065_5mf3 1 3 . 1 1 1 1 ACE H3 H 1 2.063 0.004 . 1 . . . . A 1 ACE H3 . c34065_5mf3 1 4 . 1 1 1 1 ACE CH3 C 13 25.088 0.000 . 1 . . . . A 1 ACE CH3 . c34065_5mf3 1 5 . 1 1 2 2 AIB H H 1 8.404 0.006 . 1 . . . . A 2 AIB H . c34065_5mf3 1 6 . 1 1 2 2 AIB CB1 C 13 25.727 0.000 . 1 . . . . A 2 AIB CB1 . c34065_5mf3 1 7 . 1 1 2 2 AIB CB2 C 13 28.448 0.000 . 1 . . . . A 2 AIB CB2 . c34065_5mf3 1 8 . 1 1 2 2 AIB HB11 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB11 . c34065_5mf3 1 9 . 1 1 2 2 AIB HB12 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB12 . c34065_5mf3 1 10 . 1 1 2 2 AIB HB13 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB13 . c34065_5mf3 1 11 . 1 1 2 2 AIB HB21 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB21 . c34065_5mf3 1 12 . 1 1 2 2 AIB HB22 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB22 . c34065_5mf3 1 13 . 1 1 2 2 AIB HB23 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB23 . c34065_5mf3 1 14 . 1 1 3 3 ASN H H 1 8.436 0.002 . 1 . . . . A 3 ASN H . c34065_5mf3 1 15 . 1 1 3 3 ASN HA H 1 4.354 0.002 . 1 . . . . A 3 ASN HA . c34065_5mf3 1 16 . 1 1 3 3 ASN HB2 H 1 2.825 0.003 . 2 . . . . A 3 ASN HB2 . c34065_5mf3 1 17 . 1 1 3 3 ASN HB3 H 1 2.825 0.003 . 2 . . . . A 3 ASN HB3 . c34065_5mf3 1 18 . 1 1 3 3 ASN HD21 H 1 6.867 0.003 . 2 . . . . A 3 ASN HD21 . c34065_5mf3 1 19 . 1 1 3 3 ASN HD22 H 1 7.606 0.002 . 2 . . . . A 3 ASN HD22 . c34065_5mf3 1 20 . 1 1 3 3 ASN CA C 13 55.352 0.000 . 1 . . . . A 3 ASN CA . c34065_5mf3 1 21 . 1 1 3 3 ASN CB C 13 37.898 0.000 . 1 . . . . A 3 ASN CB . c34065_5mf3 1 22 . 1 1 4 4 ILE H H 1 7.951 0.003 . 1 . . . . A 4 ILE H . c34065_5mf3 1 23 . 1 1 4 4 ILE HA H 1 3.990 0.003 . 1 . . . . A 4 ILE HA . c34065_5mf3 1 24 . 1 1 4 4 ILE HB H 1 2.078 0.003 . 1 . . . . A 4 ILE HB . c34065_5mf3 1 25 . 1 1 4 4 ILE HG12 H 1 1.290 0.004 . 2 . . . . A 4 ILE HG12 . c34065_5mf3 1 26 . 1 1 4 4 ILE HG13 H 1 1.585 0.004 . 2 . . . . A 4 ILE HG13 . c34065_5mf3 1 27 . 1 1 4 4 ILE HG21 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG21 . c34065_5mf3 1 28 . 1 1 4 4 ILE HG22 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG22 . c34065_5mf3 1 29 . 1 1 4 4 ILE HG23 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG23 . c34065_5mf3 1 30 . 1 1 4 4 ILE HD11 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD11 . c34065_5mf3 1 31 . 1 1 4 4 ILE HD12 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD12 . c34065_5mf3 1 32 . 1 1 4 4 ILE HD13 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD13 . c34065_5mf3 1 33 . 1 1 4 4 ILE CA C 13 62.634 0.000 . 1 . . . . A 4 ILE CA . c34065_5mf3 1 34 . 1 1 4 4 ILE CB C 13 38.062 0.000 . 1 . . . . A 4 ILE CB . c34065_5mf3 1 35 . 1 1 4 4 ILE CG1 C 13 28.086 0.002 . 1 . . . . A 4 ILE CG1 . c34065_5mf3 1 36 . 1 1 4 4 ILE CG2 C 13 17.484 0.000 . 1 . . . . A 4 ILE CG2 . c34065_5mf3 1 37 . 1 1 4 4 ILE CD1 C 13 12.824 0.000 . 1 . . . . A 4 ILE CD1 . c34065_5mf3 1 38 . 1 1 5 5 ILE H H 1 7.368 0.004 . 1 . . . . A 5 ILE H . c34065_5mf3 1 39 . 1 1 5 5 ILE HA H 1 4.158 0.001 . 1 . . . . A 5 ILE HA . c34065_5mf3 1 40 . 1 1 5 5 ILE HB H 1 1.966 0.003 . 1 . . . . A 5 ILE HB . c34065_5mf3 1 41 . 1 1 5 5 ILE HG12 H 1 1.337 0.004 . 2 . . . . A 5 ILE HG12 . c34065_5mf3 1 42 . 1 1 5 5 ILE HG13 H 1 1.580 0.004 . 2 . . . . A 5 ILE HG13 . c34065_5mf3 1 43 . 1 1 5 5 ILE HG21 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG21 . c34065_5mf3 1 44 . 1 1 5 5 ILE HG22 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG22 . c34065_5mf3 1 45 . 1 1 5 5 ILE HG23 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG23 . c34065_5mf3 1 46 . 1 1 5 5 ILE HD11 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD11 . c34065_5mf3 1 47 . 1 1 5 5 ILE HD12 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD12 . c34065_5mf3 1 48 . 1 1 5 5 ILE HD13 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD13 . c34065_5mf3 1 49 . 1 1 5 5 ILE CA C 13 61.908 0.000 . 1 . . . . A 5 ILE CA . c34065_5mf3 1 50 . 1 1 5 5 ILE CB C 13 38.472 0.000 . 1 . . . . A 5 ILE CB . c34065_5mf3 1 51 . 1 1 5 5 ILE CG1 C 13 27.990 0.004 . 1 . . . . A 5 ILE CG1 . c34065_5mf3 1 52 . 1 1 5 5 ILE CG2 C 13 17.693 0.000 . 1 . . . . A 5 ILE CG2 . c34065_5mf3 1 53 . 1 1 5 5 ILE CD1 C 13 12.032 0.000 . 1 . . . . A 5 ILE CD1 . c34065_5mf3 1 54 . 1 1 6 6 AIB H H 1 8.962 0.002 . 1 . . . . A 6 AIB H . c34065_5mf3 1 55 . 1 1 6 6 AIB CB1 C 13 25.700 0.000 . 1 . . . . A 6 AIB CB1 . c34065_5mf3 1 56 . 1 1 6 6 AIB CB2 C 13 21.878 0.000 . 1 . . . . A 6 AIB CB2 . c34065_5mf3 1 57 . 1 1 6 6 AIB HB11 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB11 . c34065_5mf3 1 58 . 1 1 6 6 AIB HB12 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB12 . c34065_5mf3 1 59 . 1 1 6 6 AIB HB13 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB13 . c34065_5mf3 1 60 . 1 1 6 6 AIB HB21 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB21 . c34065_5mf3 1 61 . 1 1 6 6 AIB HB22 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB22 . c34065_5mf3 1 62 . 1 1 6 6 AIB HB23 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB23 . c34065_5mf3 1 63 . 1 1 7 7 PRO HA H 1 4.513 0.003 . 1 . . . . A 7 PRO HA . c34065_5mf3 1 64 . 1 1 7 7 PRO HB2 H 1 1.834 0.005 . 2 . . . . A 7 PRO HB2 . c34065_5mf3 1 65 . 1 1 7 7 PRO HB3 H 1 2.377 0.002 . 2 . . . . A 7 PRO HB3 . c34065_5mf3 1 66 . 1 1 7 7 PRO HG2 H 1 1.987 0.003 . 2 . . . . A 7 PRO HG2 . c34065_5mf3 1 67 . 1 1 7 7 PRO HG3 H 1 1.987 0.003 . 2 . . . . A 7 PRO HG3 . c34065_5mf3 1 68 . 1 1 7 7 PRO HD2 H 1 3.411 0.002 . 2 . . . . A 7 PRO HD2 . c34065_5mf3 1 69 . 1 1 7 7 PRO HD3 H 1 3.843 0.003 . 2 . . . . A 7 PRO HD3 . c34065_5mf3 1 70 . 1 1 7 7 PRO CA C 13 65.596 0.000 . 1 . . . . A 7 PRO CA . c34065_5mf3 1 71 . 1 1 7 7 PRO CB C 13 30.987 0.006 . 1 . . . . A 7 PRO CB . c34065_5mf3 1 72 . 1 1 7 7 PRO CG C 13 28.312 0.000 . 1 . . . . A 7 PRO CG . c34065_5mf3 1 73 . 1 1 7 7 PRO CD C 13 52.585 0.006 . 1 . . . . A 7 PRO CD . c34065_5mf3 1 74 . 1 1 8 8 LEU H H 1 7.647 0.003 . 1 . . . . A 8 LEU H . c34065_5mf3 1 75 . 1 1 8 8 LEU HA H 1 4.185 0.002 . 1 . . . . A 8 LEU HA . c34065_5mf3 1 76 . 1 1 8 8 LEU HB2 H 1 1.616 0.004 . 2 . . . . A 8 LEU HB2 . c34065_5mf3 1 77 . 1 1 8 8 LEU HB3 H 1 1.945 0.003 . 2 . . . . A 8 LEU HB3 . c34065_5mf3 1 78 . 1 1 8 8 LEU HG H 1 1.876 0.004 . 1 . . . . A 8 LEU HG . c34065_5mf3 1 79 . 1 1 8 8 LEU HD11 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD11 . c34065_5mf3 1 80 . 1 1 8 8 LEU HD12 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD12 . c34065_5mf3 1 81 . 1 1 8 8 LEU HD13 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD13 . c34065_5mf3 1 82 . 1 1 8 8 LEU HD21 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD21 . c34065_5mf3 1 83 . 1 1 8 8 LEU HD22 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD22 . c34065_5mf3 1 84 . 1 1 8 8 LEU HD23 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD23 . c34065_5mf3 1 85 . 1 1 8 8 LEU CA C 13 56.308 0.000 . 1 . . . . A 8 LEU CA . c34065_5mf3 1 86 . 1 1 8 8 LEU CB C 13 41.894 0.001 . 1 . . . . A 8 LEU CB . c34065_5mf3 1 87 . 1 1 8 8 LEU CG C 13 27.175 0.000 . 1 . . . . A 8 LEU CG . c34065_5mf3 1 88 . 1 1 8 8 LEU CD1 C 13 22.775 0.000 . 1 . . . . A 8 LEU CD1 . c34065_5mf3 1 89 . 1 1 8 8 LEU CD2 C 13 25.673 0.000 . 1 . . . . A 8 LEU CD2 . c34065_5mf3 1 90 . 1 1 9 9 LEU H H 1 7.042 0.003 . 1 . . . . A 9 LEU H . c34065_5mf3 1 91 . 1 1 9 9 LEU HA H 1 4.446 0.003 . 1 . . . . A 9 LEU HA . c34065_5mf3 1 92 . 1 1 9 9 LEU HB2 H 1 1.684 0.002 . 2 . . . . A 9 LEU HB2 . c34065_5mf3 1 93 . 1 1 9 9 LEU HB3 H 1 1.684 0.002 . 2 . . . . A 9 LEU HB3 . c34065_5mf3 1 94 . 1 1 9 9 LEU HG H 1 1.684 0.003 . 1 . . . . A 9 LEU HG . c34065_5mf3 1 95 . 1 1 9 9 LEU HD11 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD11 . c34065_5mf3 1 96 . 1 1 9 9 LEU HD12 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD12 . c34065_5mf3 1 97 . 1 1 9 9 LEU HD13 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD13 . c34065_5mf3 1 98 . 1 1 9 9 LEU HD21 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD21 . c34065_5mf3 1 99 . 1 1 9 9 LEU HD22 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD22 . c34065_5mf3 1 100 . 1 1 9 9 LEU HD23 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD23 . c34065_5mf3 1 101 . 1 1 9 9 LEU CA C 13 53.823 0.000 . 1 . . . . A 9 LEU CA . c34065_5mf3 1 102 . 1 1 9 9 LEU CB C 13 42.176 0.000 . 1 . . . . A 9 LEU CB . c34065_5mf3 1 103 . 1 1 9 9 LEU CG C 13 27.124 0.000 . 1 . . . . A 9 LEU CG . c34065_5mf3 1 104 . 1 1 9 9 LEU CD1 C 13 23.139 0.000 . 1 . . . . A 9 LEU CD1 . c34065_5mf3 1 105 . 1 1 9 9 LEU CD2 C 13 25.546 0.000 . 1 . . . . A 9 LEU CD2 . c34065_5mf3 1 106 . 1 1 10 10 AIB H H 1 7.589 0.004 . 1 . . . . A 10 AIB H . c34065_5mf3 1 107 . 1 1 10 10 AIB CB1 C 13 27.876 0.000 . 1 . . . . A 10 AIB CB1 . c34065_5mf3 1 108 . 1 1 10 10 AIB CB2 C 13 25.538 0.000 . 1 . . . . A 10 AIB CB2 . c34065_5mf3 1 109 . 1 1 10 10 AIB HB11 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB11 . c34065_5mf3 1 110 . 1 1 10 10 AIB HB12 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB12 . c34065_5mf3 1 111 . 1 1 10 10 AIB HB13 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB13 . c34065_5mf3 1 112 . 1 1 10 10 AIB HB21 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB21 . c34065_5mf3 1 113 . 1 1 10 10 AIB HB22 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB22 . c34065_5mf3 1 114 . 1 1 10 10 AIB HB23 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB23 . c34065_5mf3 1 115 . 1 1 11 11 PRO HA H 1 4.515 0.002 . 1 . . . . A 11 PRO HA . c34065_5mf3 1 116 . 1 1 11 11 PRO HB2 H 1 1.764 0.005 . 2 . . . . A 11 PRO HB2 . c34065_5mf3 1 117 . 1 1 11 11 PRO HB3 H 1 2.377 0.002 . 2 . . . . A 11 PRO HB3 . c34065_5mf3 1 118 . 1 1 11 11 PRO HG2 H 1 1.923 0.003 . 2 . . . . A 11 PRO HG2 . c34065_5mf3 1 119 . 1 1 11 11 PRO HG3 H 1 1.964 0.005 . 2 . . . . A 11 PRO HG3 . c34065_5mf3 1 120 . 1 1 11 11 PRO HD2 H 1 3.341 0.002 . 2 . . . . A 11 PRO HD2 . c34065_5mf3 1 121 . 1 1 11 11 PRO HD3 H 1 3.820 0.003 . 2 . . . . A 11 PRO HD3 . c34065_5mf3 1 122 . 1 1 11 11 PRO CA C 13 66.882 0.000 . 1 . . . . A 11 PRO CA . c34065_5mf3 1 123 . 1 1 11 11 PRO CB C 13 31.610 0.006 . 1 . . . . A 11 PRO CB . c34065_5mf3 1 124 . 1 1 11 11 PRO CG C 13 27.959 0.006 . 1 . . . . A 11 PRO CG . c34065_5mf3 1 125 . 1 1 11 11 PRO CD C 13 51.873 0.002 . 1 . . . . A 11 PRO CD . c34065_5mf3 1 126 . 1 1 12 12 DCL C C 13 67.715 0.000 . 1 . . . . A 12 DCL C . c34065_5mf3 1 127 . 1 1 12 12 DCL CA C 13 52.848 0.000 . 1 . . . . A 12 DCL CA . c34065_5mf3 1 128 . 1 1 12 12 DCL CB C 13 41.425 0.001 . 1 . . . . A 12 DCL CB . c34065_5mf3 1 129 . 1 1 12 12 DCL CD1 C 13 23.713 0.000 . 1 . . . . A 12 DCL CD1 . c34065_5mf3 1 130 . 1 1 12 12 DCL CD2 C 13 26.065 0.000 . 1 . . . . A 12 DCL CD2 . c34065_5mf3 1 131 . 1 1 12 12 DCL CG C 13 27.251 0.000 . 1 . . . . A 12 DCL CG . c34065_5mf3 1 132 . 1 1 12 12 DCL HA H 1 4.023 0.002 . 1 . . . . A 12 DCL HA . c34065_5mf3 1 133 . 1 1 12 12 DCL HB1 H 1 1.528 0.004 . 2 . . . . A 12 DCL HB1 . c34065_5mf3 1 134 . 1 1 12 12 DCL HB2 H 1 1.269 0.004 . 2 . . . . A 12 DCL HB2 . c34065_5mf3 1 135 . 1 1 12 12 DCL HC1 H 1 3.519 0.001 . 2 . . . . A 12 DCL HC1 . c34065_5mf3 1 136 . 1 1 12 12 DCL HC2 H 1 3.550 0.003 . 2 . . . . A 12 DCL HC2 . c34065_5mf3 1 137 . 1 1 12 12 DCL HD11 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD11 . c34065_5mf3 1 138 . 1 1 12 12 DCL HD12 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD12 . c34065_5mf3 1 139 . 1 1 12 12 DCL HD13 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD13 . c34065_5mf3 1 140 . 1 1 12 12 DCL HD21 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD21 . c34065_5mf3 1 141 . 1 1 12 12 DCL HD22 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD22 . c34065_5mf3 1 142 . 1 1 12 12 DCL HD23 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD23 . c34065_5mf3 1 143 . 1 1 12 12 DCL HG H 1 1.595 0.003 . 1 . . . . A 12 DCL HG . c34065_5mf3 1 144 . 1 1 12 12 DCL HN1 H 1 7.639 0.004 . 1 . . . . A 12 DCL HN1 . c34065_5mf3 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 c34065_5mf3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 20 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c34065_5mf3 _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 . . . c34065_5mf3 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 . . . . c34065_5mf3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ACE C C 0.000 1.853 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 1 . 2 . 1 1 1 ACE CH3 C 0.000 0.363 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 1 . 3 . 1 1 1 ACE H1 H -0.514 0.000 -0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 1 . 4 . 1 1 1 ACE H2 H 1.028 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 1 . 5 . 1 1 1 ACE H3 H -0.514 0.000 0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 1 . 6 . 1 1 1 ACE O O -0.989 2.546 -0.082 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 1 . 7 . 1 1 2 ABA C C 0.932 4.496 -1.186 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 1 . 8 . 1 1 2 ABA CA C 1.422 3.902 0.118 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 1 . 9 . 1 1 2 ABA H H 2.062 1.771 0.171 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 1 . 10 . 1 1 2 ABA N N 1.248 2.437 0.104 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 1 . 11 . 1 1 2 ABA O O 0.817 5.720 -1.232 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 1 . 12 . 1 1 3 ASN C C -1.300 4.562 -3.434 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 1 . 13 . 1 1 3 ASN CA C 0.190 4.241 -3.490 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 1 . 14 . 1 1 3 ASN CB C 0.467 3.246 -4.619 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 1 . 15 . 1 1 3 ASN CG C 1.643 3.662 -5.481 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 1 . 16 . 1 1 3 ASN H H 0.765 2.735 -2.119 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 1 . 17 . 1 1 3 ASN HA H 0.736 5.153 -3.684 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 1 . 18 . 1 1 3 ASN HB2 H 0.683 2.278 -4.192 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 19 . 1 1 3 ASN HB3 H -0.408 3.171 -5.247 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 1 . 20 . 1 1 3 ASN HD21 H 2.813 3.768 -3.877 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 1 . 21 . 1 1 3 ASN HD22 H 3.566 4.155 -5.383 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 1 . 22 . 1 1 3 ASN N N 0.654 3.704 -2.217 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 1 . 23 . 1 1 3 ASN ND2 N 2.790 3.884 -4.850 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 1 . 24 . 1 1 3 ASN O O -1.812 5.328 -4.252 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 1 . 25 . 1 1 3 ASN OD1 O 1.521 3.783 -6.700 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 1 . 26 . 1 1 4 ILE C C -3.693 5.517 -1.585 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 1 . 27 . 1 1 4 ILE CA C -3.422 4.197 -2.300 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 1 . 28 . 1 1 4 ILE CB C -4.084 3.053 -1.511 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 1 . 29 . 1 1 4 ILE CD1 C -4.149 1.560 -3.571 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 1 . 30 . 1 1 4 ILE CG1 C -3.720 1.701 -2.127 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 1 . 31 . 1 1 4 ILE CG2 C -5.594 3.237 -1.479 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 1 . 32 . 1 1 4 ILE H H -1.527 3.373 -1.843 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 1 . 33 . 1 1 4 ILE HA H -3.868 4.235 -3.284 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 1 . 34 . 1 1 4 ILE HB H -3.720 3.088 -0.495 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 1 . 35 . 1 1 4 ILE HD11 H -4.698 2.440 -3.871 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 1 . 36 . 1 1 4 ILE HD12 H -3.276 1.447 -4.197 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 1 . 37 . 1 1 4 ILE HD13 H -4.781 0.689 -3.675 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 1 . 38 . 1 1 4 ILE HG12 H -2.650 1.570 -2.085 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 1 . 39 . 1 1 4 ILE HG13 H -4.197 0.915 -1.560 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 1 . 40 . 1 1 4 ILE HG21 H -5.910 3.774 -2.361 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 1 . 41 . 1 1 4 ILE HG22 H -6.074 2.270 -1.457 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 1 . 42 . 1 1 4 ILE HG23 H -5.871 3.796 -0.598 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 1 . 43 . 1 1 4 ILE N N -1.991 3.973 -2.464 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 1 . 44 . 1 1 4 ILE O O -4.721 6.156 -1.810 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 1 . 45 . 1 1 5 ILE C C -2.808 8.372 -0.905 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 1 . 46 . 1 1 5 ILE CA C -2.901 7.164 0.021 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 1 . 47 . 1 1 5 ILE CB C -1.825 7.286 1.116 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 1 . 48 . 1 1 5 ILE CD1 C -1.030 6.286 3.317 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 1 . 49 . 1 1 5 ILE CG1 C -2.028 6.209 2.183 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 1 . 50 . 1 1 5 ILE CG2 C -1.861 8.672 1.741 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 1 . 51 . 1 1 5 ILE H H -1.967 5.366 -0.589 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 1 . 52 . 1 1 5 ILE HA H -3.872 7.162 0.496 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 1 . 53 . 1 1 5 ILE HB H -0.858 7.150 0.656 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 1 . 54 . 1 1 5 ILE HD11 H -0.870 5.299 3.725 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 1 . 55 . 1 1 5 ILE HD12 H -0.094 6.679 2.948 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 1 . 56 . 1 1 5 ILE HD13 H -1.413 6.937 4.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 1 . 57 . 1 1 5 ILE HG12 H -3.016 6.309 2.604 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 1 . 58 . 1 1 5 ILE HG13 H -1.934 5.235 1.724 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 1 . 59 . 1 1 5 ILE HG21 H -1.617 9.411 0.992 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 1 . 60 . 1 1 5 ILE HG22 H -2.850 8.867 2.128 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 1 . 61 . 1 1 5 ILE HG23 H -1.143 8.724 2.546 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 1 . 62 . 1 1 5 ILE N N -2.764 5.919 -0.725 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 1 . 63 . 1 1 5 ILE O O -3.310 9.445 -0.662 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 1 . 64 . 1 1 6 ABA C C -3.289 9.707 -3.590 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 1 . 65 . 1 1 6 ABA CA C -1.938 9.272 -3.064 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 1 . 66 . 1 1 6 ABA H H -1.694 7.226 -2.222 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 1 . 67 . 1 1 6 ABA N N -2.103 8.188 -2.079 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 1 . 68 . 1 1 6 ABA O O -3.631 10.874 -3.396 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 1 . 69 . 1 1 7 PRO C C -6.412 9.438 -3.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 1 . 70 . 1 1 7 PRO CA C -5.381 9.196 -4.789 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 1 . 71 . 1 1 7 PRO CB C -5.768 7.976 -5.628 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 1 . 72 . 1 1 7 PRO CD C -3.724 7.428 -4.516 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 1 . 73 . 1 1 7 PRO CG C -5.015 6.844 -5.019 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 1 . 74 . 1 1 7 PRO HA H -5.322 10.068 -5.424 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 1 . 75 . 1 1 7 PRO HB2 H -6.836 7.819 -5.568 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 76 . 1 1 7 PRO HB3 H -5.479 8.135 -6.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 1 . 77 . 1 1 7 PRO HD2 H -3.411 6.928 -3.612 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 1 . 78 . 1 1 7 PRO HD3 H -2.957 7.356 -5.274 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 1 . 79 . 1 1 7 PRO HG2 H -5.580 6.424 -4.201 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 1 . 80 . 1 1 7 PRO HG3 H -4.819 6.090 -5.767 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 1 . 81 . 1 1 7 PRO N N -4.067 8.835 -4.249 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 1 . 82 . 1 1 7 PRO O O -7.476 10.007 -3.940 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 1 . 83 . 1 1 8 LEU C C -7.299 10.646 -1.107 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 1 . 84 . 1 1 8 LEU CA C -6.991 9.171 -1.343 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 1 . 85 . 1 1 8 LEU CB C -6.374 8.559 -0.084 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 1 . 86 . 1 1 8 LEU CD1 C -6.486 6.959 1.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 1 . 87 . 1 1 8 LEU CD2 C -8.596 7.783 0.782 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 1 . 88 . 1 1 8 LEU CG C -7.144 7.396 0.543 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 1 . 89 . 1 1 8 LEU H H -5.230 8.555 -2.343 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 1 . 90 . 1 1 8 LEU HA H -7.912 8.655 -1.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 1 . 91 . 1 1 8 LEU HB2 H -5.388 8.204 -0.338 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 92 . 1 1 8 LEU HB3 H -6.294 9.341 0.658 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 1 . 93 . 1 1 8 LEU HD11 H -7.128 6.258 2.354 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 1 . 94 . 1 1 8 LEU HD12 H -6.323 7.822 2.471 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 1 . 95 . 1 1 8 LEU HD13 H -5.538 6.488 1.626 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 1 . 96 . 1 1 8 LEU HD21 H -8.704 8.853 0.676 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 1 . 97 . 1 1 8 LEU HD22 H -8.887 7.489 1.780 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 1 . 98 . 1 1 8 LEU HD23 H -9.225 7.284 0.061 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 1 . 99 . 1 1 8 LEU HG H -7.129 6.555 -0.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 1 . 100 . 1 1 8 LEU N N -6.092 9.002 -2.479 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 1 . 101 . 1 1 8 LEU O O -8.445 11.020 -0.856 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 1 . 102 . 1 1 9 LEU C C -6.068 13.688 -2.254 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 1 . 103 . 1 1 9 LEU CA C -6.428 12.916 -0.989 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 1 . 104 . 1 1 9 LEU CB C -5.556 13.388 0.176 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 1 . 105 . 1 1 9 LEU CD1 C -3.197 14.181 -0.123 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 1 . 106 . 1 1 9 LEU CD2 C -3.684 12.267 1.412 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 1 . 107 . 1 1 9 LEU CG C -4.085 12.972 0.124 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 1 . 108 . 1 1 9 LEU H H -5.379 11.124 -1.394 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 1 . 109 . 1 1 9 LEU HA H -7.465 13.104 -0.750 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 1 . 110 . 1 1 9 LEU HB2 H -5.593 14.466 0.201 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 111 . 1 1 9 LEU HB3 H -5.981 12.993 1.087 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 1 . 112 . 1 1 9 LEU HD11 H -2.164 13.905 0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 1 . 113 . 1 1 9 LEU HD12 H -3.460 14.968 0.568 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 1 . 114 . 1 1 9 LEU HD13 H -3.337 14.530 -1.136 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 1 . 115 . 1 1 9 LEU HD21 H -2.672 11.903 1.322 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 1 . 116 . 1 1 9 LEU HD22 H -4.351 11.436 1.590 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 1 . 117 . 1 1 9 LEU HD23 H -3.746 12.962 2.236 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 1 . 118 . 1 1 9 LEU HG H -3.942 12.280 -0.695 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 1 . 119 . 1 1 9 LEU N N -6.268 11.481 -1.191 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 1 . 120 . 1 1 9 LEU O O -5.736 14.851 -2.260 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 1 . 121 . 1 1 10 ABA C C -6.790 14.736 -5.022 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 1 . 122 . 1 1 10 ABA CA C -5.821 13.608 -4.737 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 1 . 123 . 1 1 10 ABA H H -6.437 11.974 -3.356 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 1 . 124 . 1 1 10 ABA N N -6.140 12.982 -3.440 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 1 . 125 . 1 1 10 ABA O O -6.321 15.861 -5.200 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 1 . 126 . 1 1 11 PRO C C -9.229 16.533 -4.210 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 1 . 127 . 1 1 11 PRO CA C -9.094 15.541 -5.360 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 1 . 128 . 1 1 11 PRO CB C -10.397 14.760 -5.549 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 1 . 129 . 1 1 11 PRO CD C -8.736 13.177 -4.878 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 1 . 130 . 1 1 11 PRO CG C -10.200 13.503 -4.774 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 1 . 131 . 1 1 11 PRO HA H -8.858 16.076 -6.269 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 1 . 132 . 1 1 11 PRO HB2 H -11.225 15.338 -5.163 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 133 . 1 1 11 PRO HB3 H -10.551 14.558 -6.598 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 1 . 134 . 1 1 11 PRO HD2 H -8.386 12.719 -3.965 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 1 . 135 . 1 1 11 PRO HD3 H -8.552 12.529 -5.722 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 1 . 136 . 1 1 11 PRO HG2 H -10.478 13.660 -3.743 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 1 . 137 . 1 1 11 PRO HG3 H -10.792 12.710 -5.207 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 1 . 138 . 1 1 11 PRO N N -8.107 14.494 -5.080 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 1 . 139 . 1 1 11 PRO O O -9.780 17.605 -4.307 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 1 . 140 . 1 1 12 DCL C C -7.785 18.184 -1.992 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 1 . 141 . 1 1 12 DCL CA C -8.722 16.994 -1.801 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 1 . 142 . 1 1 12 DCL CB C -8.278 16.180 -0.577 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 1 . 143 . 1 1 12 DCL CD1 C -10.481 16.254 0.594 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 1 . 144 . 1 1 12 DCL CD2 C -8.916 14.385 1.090 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 1 . 145 . 1 1 12 DCL CG C -9.419 15.328 -0.004 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 1 . 146 . 1 1 12 DCL HA H -9.761 17.360 -1.638 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 1 . 147 . 1 1 12 DCL HB1 H -7.444 15.508 -0.876 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 1 . 148 . 1 1 12 DCL HB2 H -7.924 16.880 0.210 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 1 . 149 . 1 1 12 DCL HC1 H -6.837 18.038 -1.430 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 1 . 150 . 1 1 12 DCL HC2 H -7.557 18.343 -3.068 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 1 . 151 . 1 1 12 DCL HD11 H -10.941 15.766 1.480 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 1 . 152 . 1 1 12 DCL HD12 H -10.007 17.211 0.902 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 1 . 153 . 1 1 12 DCL HD13 H -11.266 16.456 -0.166 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 1 . 154 . 1 1 12 DCL HD21 H -9.272 14.743 2.080 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 1 . 155 . 1 1 12 DCL HD22 H -9.307 13.361 0.904 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 1 . 156 . 1 1 12 DCL HD23 H -7.806 14.367 1.081 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 1 . 157 . 1 1 12 DCL HG H -9.849 14.717 -0.826 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 1 . 158 . 1 1 12 DCL HN1 H -8.215 15.200 -3.004 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 1 . 159 . 1 1 12 DCL HXT H -8.569 20.146 -2.116 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 1 . 160 . 1 1 12 DCL N N -8.676 16.148 -3.005 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 1 . 161 . 1 1 12 DCL OXT O -8.409 19.360 -1.498 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 2 . 162 . 1 1 1 ACE C C 0.150 1.939 -0.215 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 2 . 163 . 1 1 1 ACE CH3 C 0.145 0.449 -0.200 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 2 . 164 . 1 1 1 ACE H1 H 0.439 0.074 -1.180 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 2 . 165 . 1 1 1 ACE H2 H 0.849 0.090 0.552 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 2 . 166 . 1 1 1 ACE H3 H -0.856 0.091 0.041 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 2 . 167 . 1 1 1 ACE O O -0.838 2.634 -0.271 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 2 . 168 . 1 1 2 ABA C C 1.052 4.565 -1.457 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 2 . 169 . 1 1 2 ABA CA C 1.582 3.983 -0.164 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 2 . 170 . 1 1 2 ABA H H 2.216 1.850 -0.110 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 2 . 171 . 1 1 2 ABA N N 1.403 2.519 -0.157 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 2 . 172 . 1 1 2 ABA O O 0.940 5.789 -1.512 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 2 . 173 . 1 1 3 ASN C C -1.252 4.618 -3.632 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 2 . 174 . 1 1 3 ASN CA C 0.235 4.291 -3.733 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 2 . 175 . 1 1 3 ASN CB C 0.471 3.283 -4.860 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 2 . 176 . 1 1 3 ASN CG C 1.868 3.384 -5.442 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 2 . 177 . 1 1 3 ASN H H 0.849 2.796 -2.366 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 2 . 178 . 1 1 3 ASN HA H 0.777 5.198 -3.954 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 2 . 179 . 1 1 3 ASN HB2 H 0.334 2.283 -4.476 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 180 . 1 1 3 ASN HB3 H -0.242 3.462 -5.651 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 2 . 181 . 1 1 3 ASN HD21 H 2.478 1.871 -4.305 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 2 . 182 . 1 1 3 ASN HD22 H 3.675 2.561 -5.342 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 2 . 183 . 1 1 3 ASN N N 0.739 3.764 -2.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 2 . 184 . 1 1 3 ASN ND2 N 2.764 2.518 -4.984 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 2 . 185 . 1 1 3 ASN O O -1.787 5.377 -4.441 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 2 . 186 . 1 1 3 ASN OD1 O 2.138 4.231 -6.294 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 2 . 187 . 1 1 4 ILE C C -3.580 5.599 -1.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 2 . 188 . 1 1 4 ILE CA C -3.337 4.272 -2.427 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 2 . 189 . 1 1 4 ILE CB C -3.977 3.138 -1.605 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 2 . 190 . 1 1 4 ILE CD1 C -4.198 0.607 -1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 2 . 191 . 1 1 4 ILE CG1 C -3.664 1.781 -2.237 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 2 . 192 . 1 1 4 ILE CG2 C -5.481 3.345 -1.499 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 2 . 193 . 1 1 4 ILE H H -1.431 3.446 -2.023 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 2 . 194 . 1 1 4 ILE HA H -3.814 4.301 -3.396 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 2 . 195 . 1 1 4 ILE HB H -3.563 3.168 -0.608 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 2 . 196 . 1 1 4 ILE HD11 H -5.070 0.205 -1.940 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 2 . 197 . 1 1 4 ILE HD12 H -3.438 -0.156 -1.375 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 2 . 198 . 1 1 4 ILE HD13 H -4.469 0.937 -0.452 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 2 . 199 . 1 1 4 ILE HG12 H -4.099 1.740 -3.223 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 2 . 200 . 1 1 4 ILE HG13 H -2.592 1.668 -2.317 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 2 . 201 . 1 1 4 ILE HG21 H -5.910 3.381 -2.490 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 2 . 202 . 1 1 4 ILE HG22 H -5.918 2.526 -0.948 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 2 . 203 . 1 1 4 ILE HG23 H -5.682 4.273 -0.985 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 2 . 204 . 1 1 4 ILE N N -1.912 4.041 -2.634 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 2 . 205 . 1 1 4 ILE O O -4.612 6.241 -1.915 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 2 . 206 . 1 1 5 ILE C C -2.663 8.458 -1.094 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 2 . 207 . 1 1 5 ILE CA C -2.731 7.259 -0.154 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 2 . 208 . 1 1 5 ILE CB C -1.620 7.388 0.905 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 2 . 209 . 1 1 5 ILE CD1 C -0.758 6.407 3.089 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 2 . 210 . 1 1 5 ILE CG1 C -1.792 6.322 1.989 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 2 . 211 . 1 1 5 ILE CG2 C -1.631 8.781 1.518 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 2 . 212 . 1 1 5 ILE H H -1.823 5.452 -0.775 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 2 . 213 . 1 1 5 ILE HA H -3.686 7.266 0.353 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 2 . 214 . 1 1 5 ILE HB H -0.669 7.244 0.416 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 2 . 215 . 1 1 5 ILE HD11 H -0.471 5.410 3.392 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 2 . 216 . 1 1 5 ILE HD12 H 0.110 6.938 2.729 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 2 . 217 . 1 1 5 ILE HD13 H -1.175 6.933 3.936 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 2 . 218 . 1 1 5 ILE HG12 H -2.765 6.430 2.440 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 2 . 219 . 1 1 5 ILE HG13 H -1.716 5.344 1.536 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 2 . 220 . 1 1 5 ILE HG21 H -1.409 9.512 0.755 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 2 . 221 . 1 1 5 ILE HG22 H -2.607 8.982 1.935 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 2 . 222 . 1 1 5 ILE HG23 H -0.887 8.837 2.298 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 2 . 223 . 1 1 5 ILE N N -2.622 6.007 -0.891 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 2 . 224 . 1 1 5 ILE O O -3.153 9.536 -0.845 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 2 . 225 . 1 1 6 ABA C C -3.226 9.768 -3.775 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 2 . 226 . 1 1 6 ABA CA C -1.859 9.333 -3.289 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 2 . 227 . 1 1 6 ABA H H -1.596 7.295 -2.435 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 2 . 228 . 1 1 6 ABA N N -1.997 8.259 -2.288 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 2 . 229 . 1 1 6 ABA O O -3.556 10.938 -3.582 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 2 . 230 . 1 1 7 PRO C C -6.351 9.511 -3.774 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 2 . 231 . 1 1 7 PRO CA C -5.357 9.255 -4.901 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 2 . 232 . 1 1 7 PRO CB C -5.775 8.028 -5.715 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 2 . 233 . 1 1 7 PRO CD C -3.698 7.482 -4.664 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 2 . 234 . 1 1 7 PRO CG C -5.007 6.898 -5.119 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 2 . 235 . 1 1 7 PRO HA H -5.315 10.120 -5.547 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 2 . 236 . 1 1 7 PRO HB2 H -6.841 7.876 -5.619 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 237 . 1 1 7 PRO HB3 H -5.519 8.175 -6.753 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 2 . 238 . 1 1 7 PRO HD2 H -3.358 6.990 -3.765 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 2 . 239 . 1 1 7 PRO HD3 H -2.957 7.400 -5.445 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 2 . 240 . 1 1 7 PRO HG2 H -5.548 6.489 -4.280 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 2 . 241 . 1 1 7 PRO HG3 H -4.838 6.136 -5.866 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 2 . 242 . 1 1 7 PRO N N -4.027 8.893 -4.400 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 2 . 243 . 1 1 7 PRO O O -7.420 10.082 -3.994 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 2 . 244 . 1 1 8 LEU C C -7.149 10.749 -1.174 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 2 . 245 . 1 1 8 LEU CA C -6.854 9.271 -1.405 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 2 . 246 . 1 1 8 LEU CB C -6.200 8.669 -0.160 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 2 . 247 . 1 1 8 LEU CD1 C -6.254 7.089 1.785 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 2 . 248 . 1 1 8 LEU CD2 C -8.394 7.911 0.785 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 2 . 249 . 1 1 8 LEU CG C -6.952 7.515 0.503 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 2 . 250 . 1 1 8 LEU H H -5.129 8.638 -2.455 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 2 . 251 . 1 1 8 LEU HA H -7.784 8.756 -1.597 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 2 . 252 . 1 1 8 LEU HB2 H -5.223 8.308 -0.442 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 253 . 1 1 8 LEU HB3 H -6.092 9.459 0.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 2 . 254 . 1 1 8 LEU HD11 H -6.991 6.904 2.552 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 2 . 255 . 1 1 8 LEU HD12 H -5.587 7.874 2.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 2 . 256 . 1 1 8 LEU HD13 H -5.687 6.188 1.604 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 2 . 257 . 1 1 8 LEU HD21 H -9.018 7.611 -0.044 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 2 . 258 . 1 1 8 LEU HD22 H -8.455 8.982 0.912 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 2 . 259 . 1 1 8 LEU HD23 H -8.733 7.421 1.686 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 2 . 260 . 1 1 8 LEU HG H -6.962 6.667 -0.168 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 2 . 261 . 1 1 8 LEU N N -5.993 9.086 -2.568 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 2 . 262 . 1 1 8 LEU O O -8.286 11.130 -0.890 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 2 . 263 . 1 1 9 LEU C C -5.946 13.775 -2.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 2 . 264 . 1 1 9 LEU CA C -6.268 13.017 -1.108 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 2 . 265 . 1 1 9 LEU CB C -5.356 13.497 0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 2 . 266 . 1 1 9 LEU CD1 C -4.258 13.136 2.247 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 2 . 267 . 1 1 9 LEU CD2 C -6.572 12.275 1.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 2 . 268 . 1 1 9 LEU CG C -5.213 12.553 1.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 2 . 269 . 1 1 9 LEU H H -5.238 11.217 -1.528 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 2 . 270 . 1 1 9 LEU HA H -7.295 13.211 -0.838 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 2 . 271 . 1 1 9 LEU HB2 H -4.372 13.658 -0.391 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 272 . 1 1 9 LEU HB3 H -5.749 14.436 0.387 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 2 . 273 . 1 1 9 LEU HD11 H -4.502 12.747 3.224 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 2 . 274 . 1 1 9 LEU HD12 H -4.350 14.212 2.254 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 2 . 275 . 1 1 9 LEU HD13 H -3.244 12.863 1.993 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 2 . 276 . 1 1 9 LEU HD21 H -7.276 12.009 1.069 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 2 . 277 . 1 1 9 LEU HD22 H -6.919 13.160 2.357 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 2 . 278 . 1 1 9 LEU HD23 H -6.484 11.460 2.546 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 2 . 279 . 1 1 9 LEU HG H -4.802 11.612 0.876 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 2 . 280 . 1 1 9 LEU N N -6.119 11.579 -1.300 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 2 . 281 . 1 1 9 LEU O O -5.610 14.937 -2.421 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 2 . 282 . 1 1 10 ABA C C -6.753 14.797 -5.145 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 2 . 283 . 1 1 10 ABA CA C -5.780 13.668 -4.881 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 2 . 284 . 1 1 10 ABA H H -6.356 12.051 -3.464 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 2 . 285 . 1 1 10 ABA N N -6.059 13.057 -3.568 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 2 . 286 . 1 1 10 ABA O O -6.286 15.918 -5.351 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 2 . 287 . 1 1 11 PRO C C -9.158 16.612 -4.273 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 2 . 288 . 1 1 11 PRO CA C -9.064 15.608 -5.417 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 2 . 289 . 1 1 11 PRO CB C -10.375 14.830 -5.555 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 2 . 290 . 1 1 11 PRO CD C -8.699 13.248 -4.922 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 2 . 291 . 1 1 11 PRO CG C -10.158 13.580 -4.774 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 2 . 292 . 1 1 11 PRO HA H -8.856 16.132 -6.339 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 2 . 293 . 1 1 11 PRO HB2 H -11.188 15.415 -5.148 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 294 . 1 1 11 PRO HB3 H -10.564 14.617 -6.597 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 2 . 295 . 1 1 11 PRO HD2 H -8.321 12.798 -4.016 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 2 . 296 . 1 1 11 PRO HD3 H -8.545 12.590 -5.765 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 2 . 297 . 1 1 11 PRO HG2 H -10.401 13.749 -3.736 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 2 . 298 . 1 1 11 PRO HG3 H -10.766 12.785 -5.179 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 2 . 299 . 1 1 11 PRO N N -8.073 14.559 -5.159 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 2 . 300 . 1 1 11 PRO O O -9.717 17.681 -4.361 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 2 . 301 . 1 1 12 DCL C C -7.615 18.280 -2.122 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 2 . 302 . 1 1 12 DCL CA C -8.559 17.101 -1.892 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 2 . 303 . 1 1 12 DCL CB C -8.088 16.296 -0.672 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 2 . 304 . 1 1 12 DCL CD1 C -10.257 16.403 0.559 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 2 . 305 . 1 1 12 DCL CD2 C -8.697 14.525 1.032 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 2 . 306 . 1 1 12 DCL CG C -9.221 15.461 -0.058 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 2 . 307 . 1 1 12 DCL HA H -9.590 17.480 -1.703 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 2 . 308 . 1 1 12 DCL HB1 H -7.270 15.613 -0.987 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 2 . 309 . 1 1 12 DCL HB2 H -7.705 17.001 0.097 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 2 . 310 . 1 1 12 DCL HC1 H -6.641 18.114 -1.614 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 2 . 311 . 1 1 12 DCL HC2 H -7.443 18.446 -3.208 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 2 . 312 . 1 1 12 DCL HD11 H -11.022 16.663 -0.203 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 2 . 313 . 1 1 12 DCL HD12 H -10.748 15.899 1.421 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 2 . 314 . 1 1 12 DCL HD13 H -9.753 17.330 0.909 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 2 . 315 . 1 1 12 DCL HD21 H -7.601 14.671 1.150 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 2 . 316 . 1 1 12 DCL HD22 H -9.206 14.755 1.993 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 2 . 317 . 1 1 12 DCL HD23 H -8.901 13.472 0.745 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 2 . 318 . 1 1 12 DCL HG H -9.679 14.845 -0.861 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 2 . 319 . 1 1 12 DCL HN1 H -8.092 15.296 -3.094 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 2 . 320 . 1 1 12 DCL HXT H -8.375 20.254 -2.186 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 2 . 321 . 1 1 12 DCL N N -8.557 16.242 -3.087 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 2 . 322 . 1 1 12 DCL OXT O -8.194 19.459 -1.585 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 3 . 323 . 1 1 1 ACE C C 0.072 1.920 -0.172 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 3 . 324 . 1 1 1 ACE CH3 C -0.019 0.434 -0.101 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 3 . 325 . 1 1 1 ACE H1 H -0.116 0.028 -1.108 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 3 . 326 . 1 1 1 ACE H2 H 0.883 0.037 0.365 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 3 . 327 . 1 1 1 ACE H3 H -0.889 0.151 0.491 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 3 . 328 . 1 1 1 ACE O O -0.874 2.668 -0.268 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 3 . 329 . 1 1 2 ABA C C 1.092 4.450 -1.480 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 3 . 330 . 1 1 2 ABA CA C 1.618 3.880 -0.180 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 3 . 331 . 1 1 2 ABA H H 2.129 1.718 -0.038 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 3 . 332 . 1 1 2 ABA N N 1.355 2.430 -0.121 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 3 . 333 . 1 1 2 ABA O O 1.022 5.676 -1.562 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 3 . 334 . 1 1 3 ASN C C -1.237 4.531 -3.629 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 3 . 335 . 1 1 3 ASN CA C 0.237 4.152 -3.739 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 3 . 336 . 1 1 3 ASN CB C 0.426 3.112 -4.846 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 3 . 337 . 1 1 3 ASN CG C 1.519 3.500 -5.823 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 3 . 338 . 1 1 3 ASN H H 0.817 2.669 -2.345 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 3 . 339 . 1 1 3 ASN HA H 0.806 5.036 -3.987 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 3 . 340 . 1 1 3 ASN HB2 H 0.690 2.165 -4.399 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 341 . 1 1 3 ASN HB3 H -0.499 3.004 -5.392 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 3 . 342 . 1 1 3 ASN HD21 H 2.879 2.572 -4.709 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 3 . 343 . 1 1 3 ASN HD22 H 3.473 3.330 -6.143 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 3 . 344 . 1 1 3 ASN N N 0.738 3.638 -2.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 3 . 345 . 1 1 3 ASN ND2 N 2.748 3.093 -5.529 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 3 . 346 . 1 1 3 ASN O O -1.755 5.293 -4.445 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 3 . 347 . 1 1 3 ASN OD1 O 1.260 4.159 -6.831 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 3 . 348 . 1 1 4 ILE C C -3.508 5.617 -1.691 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 3 . 349 . 1 1 4 ILE CA C -3.318 4.278 -2.395 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 3 . 350 . 1 1 4 ILE CB C -3.991 3.172 -1.561 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 3 . 351 . 1 1 4 ILE CD1 C -4.265 0.647 -1.391 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 3 . 352 . 1 1 4 ILE CG1 C -3.831 1.815 -2.249 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 3 . 353 . 1 1 4 ILE CG2 C -5.463 3.492 -1.346 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 3 . 354 . 1 1 4 ILE H H -1.437 3.395 -1.996 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 3 . 355 . 1 1 4 ILE HA H -3.802 4.319 -3.360 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 3 . 356 . 1 1 4 ILE HB H -3.511 3.137 -0.595 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 3 . 357 . 1 1 4 ILE HD11 H -4.403 -0.225 -2.012 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 3 . 358 . 1 1 4 ILE HD12 H -3.509 0.445 -0.648 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 3 . 359 . 1 1 4 ILE HD13 H -5.197 0.889 -0.900 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 3 . 360 . 1 1 4 ILE HG12 H -4.424 1.802 -3.150 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 3 . 361 . 1 1 4 ILE HG13 H -2.791 1.671 -2.505 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 3 . 362 . 1 1 4 ILE HG21 H -6.055 2.610 -1.539 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 3 . 363 . 1 1 4 ILE HG22 H -5.617 3.812 -0.327 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 3 . 364 . 1 1 4 ILE HG23 H -5.762 4.281 -2.021 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 3 . 365 . 1 1 4 ILE N N -1.905 3.995 -2.613 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 3 . 366 . 1 1 4 ILE O O -4.520 6.292 -1.881 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 3 . 367 . 1 1 5 ILE C C -2.519 8.447 -1.100 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 3 . 368 . 1 1 5 ILE CA C -2.585 7.257 -0.148 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 3 . 369 . 1 1 5 ILE CB C -1.439 7.368 0.875 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 3 . 370 . 1 1 5 ILE CD1 C -2.764 6.483 2.859 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 3 . 371 . 1 1 5 ILE CG1 C -1.575 6.284 1.946 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 3 . 372 . 1 1 5 ILE CG2 C -1.429 8.750 1.510 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 3 . 373 . 1 1 5 ILE H H -1.746 5.416 -0.769 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 3 . 374 . 1 1 5 ILE HA H -3.523 7.288 0.387 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 3 . 375 . 1 1 5 ILE HB H -0.505 7.231 0.351 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 3 . 376 . 1 1 5 ILE HD11 H -2.418 6.712 3.856 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 3 . 377 . 1 1 5 ILE HD12 H -3.369 7.298 2.491 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 3 . 378 . 1 1 5 ILE HD13 H -3.355 5.579 2.883 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 3 . 379 . 1 1 5 ILE HG12 H -1.684 5.324 1.466 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 3 . 380 . 1 1 5 ILE HG13 H -0.684 6.278 2.556 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 3 . 381 . 1 1 5 ILE HG21 H -1.048 9.470 0.800 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 3 . 382 . 1 1 5 ILE HG22 H -2.434 9.023 1.794 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 3 . 383 . 1 1 5 ILE HG23 H -0.797 8.739 2.386 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 3 . 384 . 1 1 5 ILE N N -2.527 5.996 -0.879 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 3 . 385 . 1 1 5 ILE O O -2.987 9.534 -0.849 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 3 . 386 . 1 1 6 ABA C C -3.121 9.733 -3.791 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 3 . 387 . 1 1 6 ABA CA C -1.751 9.292 -3.319 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 3 . 388 . 1 1 6 ABA H H -1.502 7.256 -2.454 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 3 . 389 . 1 1 6 ABA N N -1.883 8.228 -2.307 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 3 . 390 . 1 1 6 ABA O O -3.441 10.906 -3.600 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 3 . 391 . 1 1 7 PRO C C -6.248 9.497 -3.749 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 3 . 392 . 1 1 7 PRO CA C -5.269 9.227 -4.887 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 3 . 393 . 1 1 7 PRO CB C -5.706 7.998 -5.688 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 3 . 394 . 1 1 7 PRO CD C -3.620 7.445 -4.660 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 3 . 395 . 1 1 7 PRO CG C -4.938 6.867 -5.095 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 3 . 396 . 1 1 7 PRO HA H -5.230 10.088 -5.538 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 3 . 397 . 1 1 7 PRO HB2 H -6.772 7.854 -5.578 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 398 . 1 1 7 PRO HB3 H -5.462 8.138 -6.730 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 3 . 399 . 1 1 7 PRO HD2 H -3.272 6.956 -3.763 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 3 . 400 . 1 1 7 PRO HD3 H -2.889 7.353 -5.450 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 3 . 401 . 1 1 7 PRO HG2 H -5.471 6.467 -4.246 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 3 . 402 . 1 1 7 PRO HG3 H -4.784 6.100 -5.839 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 3 . 403 . 1 1 7 PRO N N -3.936 8.859 -4.400 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 3 . 404 . 1 1 7 PRO O O -7.315 10.075 -3.957 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 3 . 405 . 1 1 8 LEU C C -7.002 10.753 -1.143 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 3 . 406 . 1 1 8 LEU CA C -6.724 9.271 -1.372 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 3 . 407 . 1 1 8 LEU CB C -6.059 8.668 -0.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 3 . 408 . 1 1 8 LEU CD1 C -6.104 7.095 1.818 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 3 . 409 . 1 1 8 LEU CD2 C -8.249 7.932 0.841 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 3 . 410 . 1 1 8 LEU CG C -6.814 7.523 0.543 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 3 . 411 . 1 1 8 LEU H H -5.017 8.620 -2.440 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 3 . 412 . 1 1 8 LEU HA H -7.660 8.765 -1.551 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 3 . 413 . 1 1 8 LEU HB2 H -5.089 8.297 -0.426 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 414 . 1 1 8 LEU HB3 H -5.936 9.459 0.593 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 3 . 415 . 1 1 8 LEU HD11 H -5.413 6.296 1.595 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 3 . 416 . 1 1 8 LEU HD12 H -6.832 6.751 2.537 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 3 . 417 . 1 1 8 LEU HD13 H -5.563 7.935 2.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 3 . 418 . 1 1 8 LEU HD21 H -8.820 7.932 -0.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 3 . 419 . 1 1 8 LEU HD22 H -8.258 8.924 1.271 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 3 . 420 . 1 1 8 LEU HD23 H -8.685 7.233 1.538 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 3 . 421 . 1 1 8 LEU HG H -6.840 6.673 -0.125 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 3 . 422 . 1 1 8 LEU N N -5.878 9.075 -2.544 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 3 . 423 . 1 1 8 LEU O O -8.131 11.145 -0.844 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 3 . 424 . 1 1 9 LEU C C -5.791 13.763 -2.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 3 . 425 . 1 1 9 LEU CA C -6.100 13.014 -1.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 3 . 426 . 1 1 9 LEU CB C -5.167 13.490 0.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 3 . 427 . 1 1 9 LEU CD1 C -6.246 12.001 1.717 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 3 . 428 . 1 1 9 LEU CD2 C -4.650 13.782 2.450 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 3 . 429 . 1 1 9 LEU CG C -5.720 13.400 1.437 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 3 . 430 . 1 1 9 LEU H H -5.092 11.202 -1.528 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 3 . 431 . 1 1 9 LEU HA H -7.121 13.218 -0.815 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 3 . 432 . 1 1 9 LEU HB2 H -4.268 12.895 -0.029 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 433 . 1 1 9 LEU HB3 H -4.921 14.525 -0.181 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 3 . 434 . 1 1 9 LEU HD11 H -7.184 11.859 1.201 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 3 . 435 . 1 1 9 LEU HD12 H -6.398 11.879 2.780 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 3 . 436 . 1 1 9 LEU HD13 H -5.530 11.270 1.370 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 3 . 437 . 1 1 9 LEU HD21 H -4.193 14.715 2.156 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 3 . 438 . 1 1 9 LEU HD22 H -3.897 13.008 2.488 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 3 . 439 . 1 1 9 LEU HD23 H -5.101 13.893 3.425 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 3 . 440 . 1 1 9 LEU HG H -6.543 14.093 1.542 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 3 . 441 . 1 1 9 LEU N N -5.967 11.573 -1.288 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 3 . 442 . 1 1 9 LEU O O -5.447 14.922 -2.432 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 3 . 443 . 1 1 10 ABA C C -6.630 14.777 -5.139 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 3 . 444 . 1 1 10 ABA CA C -5.660 13.643 -4.882 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 3 . 445 . 1 1 10 ABA H H -6.228 12.037 -3.450 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 3 . 446 . 1 1 10 ABA N N -5.925 13.040 -3.563 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 3 . 447 . 1 1 10 ABA O O -6.159 15.895 -5.354 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 3 . 448 . 1 1 11 PRO C C -9.013 16.609 -4.245 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 3 . 449 . 1 1 11 PRO CA C -8.939 15.600 -5.386 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 3 . 450 . 1 1 11 PRO CB C -10.257 14.830 -5.505 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 3 . 451 . 1 1 11 PRO CD C -8.582 13.240 -4.887 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 3 . 452 . 1 1 11 PRO CG C -10.037 13.581 -4.723 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 3 . 453 . 1 1 11 PRO HA H -8.739 16.120 -6.312 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 3 . 454 . 1 1 11 PRO HB2 H -11.061 15.421 -5.090 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 455 . 1 1 11 PRO HB3 H -10.459 14.614 -6.543 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 3 . 456 . 1 1 11 PRO HD2 H -8.196 12.791 -3.984 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 3 . 457 . 1 1 11 PRO HD3 H -8.443 12.578 -5.729 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 3 . 458 . 1 1 11 PRO HG2 H -10.267 13.755 -3.682 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 3 . 459 . 1 1 11 PRO HG3 H -10.655 12.788 -5.117 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 3 . 460 . 1 1 11 PRO N N -7.951 14.547 -5.136 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 3 . 461 . 1 1 11 PRO O O -9.480 17.719 -4.357 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 3 . 462 . 1 1 12 DCL C C -7.437 18.129 -1.994 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 3 . 463 . 1 1 12 DCL CA C -8.505 17.049 -1.832 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 3 . 464 . 1 1 12 DCL CB C -8.198 16.203 -0.588 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 3 . 465 . 1 1 12 DCL CD1 C -10.472 16.411 0.419 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 3 . 466 . 1 1 12 DCL CD2 C -9.062 14.453 1.023 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 3 . 467 . 1 1 12 DCL CG C -9.427 15.423 -0.102 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 3 . 468 . 1 1 12 DCL HA H -9.504 17.528 -1.710 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 3 . 469 . 1 1 12 DCL HB1 H -7.389 15.482 -0.836 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 3 . 470 . 1 1 12 DCL HB2 H -7.855 16.876 0.227 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 3 . 471 . 1 1 12 DCL HC1 H -6.451 17.771 -1.627 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 3 . 472 . 1 1 12 DCL HC2 H -7.345 18.442 -3.057 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 3 . 473 . 1 1 12 DCL HD11 H -11.183 16.663 -0.396 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 3 . 474 . 1 1 12 DCL HD12 H -11.026 15.950 1.266 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 3 . 475 . 1 1 12 DCL HD13 H -9.965 17.337 0.767 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 3 . 476 . 1 1 12 DCL HD21 H -8.529 13.575 0.598 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 3 . 477 . 1 1 12 DCL HD22 H -8.402 14.968 1.755 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 3 . 478 . 1 1 12 DCL HD23 H -9.988 14.112 1.533 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 3 . 479 . 1 1 12 DCL HG H -9.831 14.836 -0.955 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 3 . 480 . 1 1 12 DCL HN1 H -8.121 15.213 -3.016 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 3 . 481 . 1 1 12 DCL HXT H -7.927 20.165 -1.687 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 3 . 482 . 1 1 12 DCL N N -8.508 16.192 -3.030 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 3 . 483 . 1 1 12 DCL OXT O -7.800 19.270 -1.231 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 4 . 484 . 1 1 1 ACE C C 0.153 1.856 -0.042 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 4 . 485 . 1 1 1 ACE CH3 C 0.139 0.366 -0.016 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 4 . 486 . 1 1 1 ACE H1 H -0.844 0.006 -0.319 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 4 . 487 . 1 1 1 ACE H2 H 0.894 -0.016 -0.703 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 4 . 488 . 1 1 1 ACE H3 H 0.358 0.018 0.994 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 4 . 489 . 1 1 1 ACE O O -0.832 2.557 -0.096 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 4 . 490 . 1 1 2 ABA C C 1.085 4.465 -1.322 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 4 . 491 . 1 1 2 ABA CA C 1.596 3.892 -0.017 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 4 . 492 . 1 1 2 ABA H H 2.219 1.756 0.048 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 4 . 493 . 1 1 2 ABA N N 1.409 2.430 0.002 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 4 . 494 . 1 1 2 ABA O O 1.015 5.690 -1.402 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 4 . 495 . 1 1 3 ASN C C -1.212 4.564 -3.494 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 4 . 496 . 1 1 3 ASN CA C 0.259 4.170 -3.593 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 4 . 497 . 1 1 3 ASN CB C 0.446 3.126 -4.695 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 4 . 498 . 1 1 3 ASN CG C 1.834 3.171 -5.304 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 4 . 499 . 1 1 3 ASN H H 0.823 2.685 -2.194 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 4 . 500 . 1 1 3 ASN HA H 0.839 5.047 -3.838 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 4 . 501 . 1 1 3 ASN HB2 H 0.288 2.141 -4.280 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 502 . 1 1 3 ASN HB3 H -0.276 3.303 -5.477 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 4 . 503 . 1 1 3 ASN HD21 H 1.779 1.211 -5.636 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 4 . 504 . 1 1 3 ASN HD22 H 3.225 2.016 -6.131 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 4 . 505 . 1 1 3 ASN N N 0.745 3.654 -2.318 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 4 . 506 . 1 1 3 ASN ND2 N 2.329 2.016 -5.734 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 4 . 507 . 1 1 3 ASN O O -1.717 5.328 -4.317 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 4 . 508 . 1 1 3 ASN OD1 O 2.454 4.232 -5.387 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 4 . 509 . 1 1 4 ILE C C -3.488 5.684 -1.589 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 4 . 510 . 1 1 4 ILE CA C -3.305 4.335 -2.275 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 4 . 511 . 1 1 4 ILE CB C -3.992 3.245 -1.431 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 4 . 512 . 1 1 4 ILE CD1 C -4.131 1.690 -3.442 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 4 . 513 . 1 1 4 ILE CG1 C -3.690 1.859 -2.005 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 4 . 514 . 1 1 4 ILE CG2 C -5.493 3.486 -1.376 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 4 . 515 . 1 1 4 ILE H H -1.435 3.435 -1.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 4 . 516 . 1 1 4 ILE HA H -3.784 4.368 -3.244 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 4 . 517 . 1 1 4 ILE HB H -3.606 3.303 -0.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 4 . 518 . 1 1 4 ILE HD11 H -5.180 1.931 -3.528 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 4 . 519 . 1 1 4 ILE HD12 H -3.557 2.349 -4.075 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 4 . 520 . 1 1 4 ILE HD13 H -3.972 0.667 -3.750 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 4 . 521 . 1 1 4 ILE HG12 H -2.627 1.682 -1.962 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 4 . 522 . 1 1 4 ILE HG13 H -4.199 1.113 -1.411 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 4 . 523 . 1 1 4 ILE HG21 H -5.830 3.876 -2.325 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 4 . 524 . 1 1 4 ILE HG22 H -6.000 2.555 -1.171 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 4 . 525 . 1 1 4 ILE HG23 H -5.716 4.197 -0.595 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 4 . 526 . 1 1 4 ILE N N -1.893 4.037 -2.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 4 . 527 . 1 1 4 ILE O O -4.502 6.356 -1.779 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 4 . 528 . 1 1 5 ILE C C -2.516 8.522 -1.051 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 4 . 529 . 1 1 5 ILE CA C -2.549 7.346 -0.080 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 4 . 530 . 1 1 5 ILE CB C -1.379 7.482 0.912 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 4 . 531 . 1 1 5 ILE CD1 C -2.605 6.863 3.055 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 4 . 532 . 1 1 5 ILE CG1 C -1.535 6.479 2.058 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 4 . 533 . 1 1 5 ILE CG2 C -1.304 8.902 1.451 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 4 . 534 . 1 1 5 ILE H H -1.716 5.496 -0.682 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 4 . 535 . 1 1 5 ILE HA H -3.474 7.378 0.477 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 4 . 536 . 1 1 5 ILE HB H -0.461 7.274 0.383 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 4 . 537 . 1 1 5 ILE HD11 H -3.264 7.596 2.613 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 4 . 538 . 1 1 5 ILE HD12 H -3.173 5.986 3.329 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 4 . 539 . 1 1 5 ILE HD13 H -2.142 7.282 3.937 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 4 . 540 . 1 1 5 ILE HG12 H -1.792 5.514 1.651 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 4 . 541 . 1 1 5 ILE HG13 H -0.597 6.403 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 4 . 542 . 1 1 5 ILE HG21 H -0.849 9.544 0.711 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 4 . 543 . 1 1 5 ILE HG22 H -2.300 9.257 1.670 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 4 . 544 . 1 1 5 ILE HG23 H -0.710 8.915 2.353 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 4 . 545 . 1 1 5 ILE N N -2.498 6.075 -0.793 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 4 . 546 . 1 1 5 ILE O O -2.999 9.605 -0.811 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 4 . 547 . 1 1 6 ABA C C -3.175 9.747 -3.761 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 4 . 548 . 1 1 6 ABA CA C -1.792 9.344 -3.293 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 4 . 549 . 1 1 6 ABA H H -1.496 7.327 -2.400 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 4 . 550 . 1 1 6 ABA N N -1.893 8.295 -2.263 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 4 . 551 . 1 1 6 ABA O O -3.521 10.915 -3.585 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 4 . 552 . 1 1 7 PRO C C -6.295 9.440 -3.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 4 . 553 . 1 1 7 PRO CA C -5.319 9.176 -4.833 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 4 . 554 . 1 1 7 PRO CB C -5.733 7.926 -5.613 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 4 . 555 . 1 1 7 PRO CD C -3.628 7.436 -4.594 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 4 . 556 . 1 1 7 PRO CG C -4.935 6.822 -5.011 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 4 . 557 . 1 1 7 PRO HA H -5.305 10.029 -5.497 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 4 . 558 . 1 1 7 PRO HB2 H -6.795 7.759 -5.493 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 559 . 1 1 7 PRO HB3 H -5.500 8.056 -6.659 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 4 . 560 . 1 1 7 PRO HD2 H -3.262 6.968 -3.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 4 . 561 . 1 1 7 PRO HD3 H -2.900 7.349 -5.388 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 4 . 562 . 1 1 7 PRO HG2 H -5.452 6.422 -4.152 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 4 . 563 . 1 1 7 PRO HG3 H -4.768 6.047 -5.745 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 4 . 564 . 1 1 7 PRO N N -3.975 8.846 -4.351 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 4 . 565 . 1 1 7 PRO O O -7.378 9.988 -3.901 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 4 . 566 . 1 1 8 LEU C C -7.064 10.718 -1.103 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 4 . 567 . 1 1 8 LEU CA C -6.747 9.240 -1.308 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 4 . 568 . 1 1 8 LEU CB C -6.057 8.677 -0.064 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 4 . 569 . 1 1 8 LEU CD1 C -6.045 7.139 1.915 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 4 . 570 . 1 1 8 LEU CD2 C -8.219 7.901 0.940 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 4 . 571 . 1 1 8 LEU CG C -6.776 7.525 0.638 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 4 . 572 . 1 1 8 LEU H H -5.033 8.615 -2.380 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 4 . 573 . 1 1 8 LEU HA H -7.672 8.706 -1.470 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 4 . 574 . 1 1 8 LEU HB2 H -5.080 8.327 -0.359 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 575 . 1 1 8 LEU HB3 H -5.950 9.484 0.647 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 4 . 576 . 1 1 8 LEU HD11 H -5.038 6.834 1.675 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 4 . 577 . 1 1 8 LEU HD12 H -6.564 6.323 2.394 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 4 . 578 . 1 1 8 LEU HD13 H -6.015 7.988 2.583 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 4 . 579 . 1 1 8 LEU HD21 H -8.802 7.843 0.033 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 4 . 580 . 1 1 8 LEU HD22 H -8.255 8.909 1.328 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 4 . 581 . 1 1 8 LEU HD23 H -8.623 7.218 1.672 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 4 . 582 . 1 1 8 LEU HG H -6.783 6.663 -0.015 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 4 . 583 . 1 1 8 LEU N N -5.906 9.046 -2.484 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 4 . 584 . 1 1 8 LEU O O -8.201 11.085 -0.805 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 4 . 585 . 1 1 9 LEU C C -5.937 13.737 -2.407 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 4 . 586 . 1 1 9 LEU CA C -6.221 13.002 -1.101 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 4 . 587 . 1 1 9 LEU CB C -5.297 13.522 0.002 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 4 . 588 . 1 1 9 LEU CD1 C -4.153 13.227 2.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 4 . 589 . 1 1 9 LEU CD2 C -6.457 12.315 1.868 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 4 . 590 . 1 1 9 LEU CG C -5.115 12.605 1.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 4 . 591 . 1 1 9 LEU H H -5.168 11.211 -1.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 4 . 592 . 1 1 9 LEU HA H -7.247 13.184 -0.815 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 4 . 593 . 1 1 9 LEU HB2 H -4.324 13.691 -0.434 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 594 . 1 1 9 LEU HB3 H -5.699 14.461 0.354 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 4 . 595 . 1 1 9 LEU HD11 H -3.294 13.619 1.690 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 4 . 596 . 1 1 9 LEU HD12 H -3.833 12.476 2.919 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 4 . 597 . 1 1 9 LEU HD13 H -4.651 14.028 2.740 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 4 . 598 . 1 1 9 LEU HD21 H -7.170 12.022 1.113 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 4 . 599 . 1 1 9 LEU HD22 H -6.811 13.204 2.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 4 . 600 . 1 1 9 LEU HD23 H -6.341 11.516 2.585 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 4 . 601 . 1 1 9 LEU HG H -4.692 11.666 0.884 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 4 . 602 . 1 1 9 LEU N N -6.051 11.563 -1.266 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 4 . 603 . 1 1 9 LEU O O -5.622 14.904 -2.466 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 4 . 604 . 1 1 10 ABA C C -6.813 14.689 -5.164 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 4 . 605 . 1 1 10 ABA CA C -5.816 13.581 -4.895 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 4 . 606 . 1 1 10 ABA H H -6.337 11.984 -3.434 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 4 . 607 . 1 1 10 ABA N N -6.059 12.993 -3.565 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 4 . 608 . 1 1 10 ABA O O -6.369 15.812 -5.402 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 4 . 609 . 1 1 11 PRO C C -9.230 16.481 -4.283 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 4 . 610 . 1 1 11 PRO CA C -9.142 15.455 -5.408 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 4 . 611 . 1 1 11 PRO CB C -10.442 14.654 -5.503 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 4 . 612 . 1 1 11 PRO CD C -8.728 13.112 -4.870 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 4 . 613 . 1 1 11 PRO CG C -10.189 13.424 -4.701 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 4 . 614 . 1 1 11 PRO HA H -8.960 15.963 -6.343 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 4 . 615 . 1 1 11 PRO HB2 H -11.257 15.234 -5.093 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 616 . 1 1 11 PRO HB3 H -10.647 14.416 -6.536 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 4 . 617 . 1 1 11 PRO HD2 H -8.325 12.688 -3.963 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 4 . 618 . 1 1 11 PRO HD3 H -8.580 12.440 -5.702 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 4 . 619 . 1 1 11 PRO HG2 H -10.415 13.610 -3.662 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 4 . 620 . 1 1 11 PRO HG3 H -10.792 12.610 -5.077 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 4 . 621 . 1 1 11 PRO N N -8.128 14.429 -5.147 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 4 . 622 . 1 1 11 PRO O O -9.807 17.540 -4.383 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 4 . 623 . 1 1 12 DCL C C -7.677 18.219 -2.197 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 4 . 624 . 1 1 12 DCL CA C -8.596 17.030 -1.923 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 4 . 625 . 1 1 12 DCL CB C -8.088 16.258 -0.696 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 4 . 626 . 1 1 12 DCL CD1 C -10.235 16.355 0.574 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 4 . 627 . 1 1 12 DCL CD2 C -8.634 14.514 1.054 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 4 . 628 . 1 1 12 DCL CG C -9.195 15.418 -0.044 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 4 . 629 . 1 1 12 DCL HA H -9.629 17.396 -1.722 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 4 . 630 . 1 1 12 DCL HB1 H -7.264 15.583 -1.014 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 4 . 631 . 1 1 12 DCL HB2 H -7.703 16.985 0.050 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 4 . 632 . 1 1 12 DCL HC1 H -6.611 17.940 -2.047 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 4 . 633 . 1 1 12 DCL HC2 H -7.817 18.601 -3.231 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 4 . 634 . 1 1 12 DCL HD11 H -9.727 17.256 0.980 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 4 . 635 . 1 1 12 DCL HD12 H -10.967 16.661 -0.205 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 4 . 636 . 1 1 12 DCL HD13 H -10.766 15.827 1.396 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 4 . 637 . 1 1 12 DCL HD21 H -8.708 13.452 0.735 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 4 . 638 . 1 1 12 DCL HD22 H -7.567 14.771 1.237 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 4 . 639 . 1 1 12 DCL HD23 H -9.216 14.661 1.989 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 4 . 640 . 1 1 12 DCL HG H -9.658 14.778 -0.825 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 4 . 641 . 1 1 12 DCL HN1 H -8.123 15.207 -3.097 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 4 . 642 . 1 1 12 DCL HXT H -8.275 20.173 -1.651 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 4 . 643 . 1 1 12 DCL N N -8.603 16.146 -3.101 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 4 . 644 . 1 1 12 DCL OXT O -7.985 19.271 -1.295 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 5 . 645 . 1 1 1 ACE C C 0.142 1.833 -0.086 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 5 . 646 . 1 1 1 ACE CH3 C 0.130 0.343 -0.087 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 5 . 647 . 1 1 1 ACE H1 H -0.445 -0.016 0.766 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 5 . 648 . 1 1 1 ACE H2 H -0.325 -0.016 -1.010 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 5 . 649 . 1 1 1 ACE H3 H 1.153 -0.028 -0.018 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 5 . 650 . 1 1 1 ACE O O -0.842 2.534 -0.152 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 5 . 651 . 1 1 2 ABA C C 1.103 4.466 -1.296 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 5 . 652 . 1 1 2 ABA CA C 1.582 3.870 0.011 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 5 . 653 . 1 1 2 ABA H H 2.206 1.734 0.053 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 5 . 654 . 1 1 2 ABA N N 1.397 2.407 -0.002 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 5 . 655 . 1 1 2 ABA O O 1.032 5.692 -1.356 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 5 . 656 . 1 1 3 ASN C C -1.141 4.601 -3.521 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 5 . 657 . 1 1 3 ASN CA C 0.332 4.211 -3.591 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 5 . 658 . 1 1 3 ASN CB C 0.548 3.187 -4.707 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 5 . 659 . 1 1 3 ASN CG C 1.707 3.556 -5.614 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 5 . 660 . 1 1 3 ASN H H 0.865 2.701 -2.206 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 5 . 661 . 1 1 3 ASN HA H 0.917 5.093 -3.806 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 5 . 662 . 1 1 3 ASN HB2 H 0.754 2.222 -4.267 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 663 . 1 1 3 ASN HB3 H -0.347 3.122 -5.306 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 5 . 664 . 1 1 3 ASN HD21 H 1.029 2.325 -7.021 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 5 . 665 . 1 1 3 ASN HD22 H 2.481 3.180 -7.406 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 5 . 666 . 1 1 3 ASN N N 0.788 3.672 -2.315 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 5 . 667 . 1 1 3 ASN ND2 N 1.742 2.960 -6.800 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 5 . 668 . 1 1 3 ASN O O -1.627 5.380 -4.342 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 5 . 669 . 1 1 3 ASN OD1 O 2.559 4.367 -5.251 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 5 . 670 . 1 1 4 ILE C C -3.464 5.684 -1.653 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 5 . 671 . 1 1 4 ILE CA C -3.263 4.348 -2.359 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 5 . 672 . 1 1 4 ILE CB C -3.969 3.242 -1.552 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 5 . 673 . 1 1 4 ILE CD1 C -4.298 0.723 -1.404 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 5 . 674 . 1 1 4 ILE CG1 C -3.737 1.878 -2.203 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 5 . 675 . 1 1 4 ILE CG2 C -5.457 3.536 -1.440 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 5 . 676 . 1 1 4 ILE H H -1.403 3.443 -1.914 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 5 . 677 . 1 1 4 ILE HA H -3.718 4.397 -3.338 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 5 . 678 . 1 1 4 ILE HB H -3.553 3.233 -0.556 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 5 . 679 . 1 1 4 ILE HD11 H -3.823 0.690 -0.435 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 5 . 680 . 1 1 4 ILE HD12 H -5.363 0.854 -1.279 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 5 . 681 . 1 1 4 ILE HD13 H -4.109 -0.203 -1.928 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 5 . 682 . 1 1 4 ILE HG12 H -4.205 1.865 -3.175 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 5 . 683 . 1 1 4 ILE HG13 H -2.674 1.718 -2.318 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 5 . 684 . 1 1 4 ILE HG21 H -5.891 3.575 -2.429 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 5 . 685 . 1 1 4 ILE HG22 H -5.936 2.756 -0.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 5 . 686 . 1 1 4 ILE HG23 H -5.602 4.485 -0.946 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 5 . 687 . 1 1 4 ILE N N -1.846 4.056 -2.536 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 5 . 688 . 1 1 4 ILE O O -4.475 6.358 -1.855 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 5 . 689 . 1 1 5 ILE C C -2.511 8.513 -1.041 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 5 . 690 . 1 1 5 ILE CA C -2.565 7.320 -0.092 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 5 . 691 . 1 1 5 ILE CB C -1.420 7.439 0.931 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 5 . 692 . 1 1 5 ILE CD1 C -2.698 6.780 3.031 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 5 . 693 . 1 1 5 ILE CG1 C -1.602 6.416 2.054 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 5 . 694 . 1 1 5 ILE CG2 C -1.361 8.850 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 5 . 695 . 1 1 5 ILE H H -1.715 5.482 -0.707 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 5 . 696 . 1 1 5 ILE HA H -3.504 7.342 0.443 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 5 . 697 . 1 1 5 ILE HB H -0.490 7.242 0.421 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 5 . 698 . 1 1 5 ILE HD11 H -3.585 7.069 2.487 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 5 . 699 . 1 1 5 ILE HD12 H -2.920 5.929 3.658 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 5 . 700 . 1 1 5 ILE HD13 H -2.370 7.605 3.648 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 5 . 701 . 1 1 5 ILE HG12 H -1.848 5.458 1.623 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 5 . 702 . 1 1 5 ILE HG13 H -0.678 6.331 2.607 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 5 . 703 . 1 1 5 ILE HG21 H -0.751 9.470 0.856 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 5 . 704 . 1 1 5 ILE HG22 H -2.358 9.259 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 5 . 705 . 1 1 5 ILE HG23 H -0.930 8.823 2.487 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 5 . 706 . 1 1 5 ILE N N -2.496 6.062 -0.826 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 5 . 707 . 1 1 5 ILE O O -3.001 9.591 -0.793 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 5 . 708 . 1 1 6 ABA C C -3.105 9.786 -3.744 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 5 . 709 . 1 1 6 ABA CA C -1.733 9.377 -3.250 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 5 . 710 . 1 1 6 ABA H H -1.456 7.344 -2.386 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 5 . 711 . 1 1 6 ABA N N -1.857 8.308 -2.241 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 5 . 712 . 1 1 6 ABA O O -3.456 10.951 -3.555 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 5 . 713 . 1 1 7 PRO C C -6.225 9.475 -3.756 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 5 . 714 . 1 1 7 PRO CA C -5.221 9.233 -4.878 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 5 . 715 . 1 1 7 PRO CB C -5.614 7.997 -5.690 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 5 . 716 . 1 1 7 PRO CD C -3.533 7.490 -4.628 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 5 . 717 . 1 1 7 PRO CG C -4.830 6.882 -5.088 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 5 . 718 . 1 1 7 PRO HA H -5.191 10.097 -5.526 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 5 . 719 . 1 1 7 PRO HB2 H -6.678 7.826 -5.599 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 720 . 1 1 7 PRO HB3 H -5.356 8.146 -6.727 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 5 . 721 . 1 1 7 PRO HD2 H -3.189 7.007 -3.726 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 5 . 722 . 1 1 7 PRO HD3 H -2.787 7.418 -5.406 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 5 . 723 . 1 1 7 PRO HG2 H -5.367 6.466 -4.249 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 5 . 724 . 1 1 7 PRO HG3 H -4.644 6.121 -5.831 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 5 . 725 . 1 1 7 PRO N N -3.888 8.896 -4.369 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 5 . 726 . 1 1 7 PRO O O -7.303 10.027 -3.982 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 5 . 727 . 1 1 8 LEU C C -7.058 10.706 -1.164 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 5 . 728 . 1 1 8 LEU CA C -6.735 9.233 -1.388 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 5 . 729 . 1 1 8 LEU CB C -6.075 8.648 -0.138 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 5 . 730 . 1 1 8 LEU CD1 C -6.109 7.074 1.813 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 5 . 731 . 1 1 8 LEU CD2 C -8.260 7.851 0.798 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 5 . 732 . 1 1 8 LEU CG C -6.809 7.482 0.525 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 5 . 733 . 1 1 8 LEU H H -4.994 8.628 -2.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 5 . 734 . 1 1 8 LEU HA H -7.654 8.700 -1.582 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 5 . 735 . 1 1 8 LEU HB2 H -5.090 8.304 -0.415 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 736 . 1 1 8 LEU HB3 H -5.986 9.442 0.590 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 5 . 737 . 1 1 8 LEU HD11 H -5.468 6.228 1.621 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 5 . 738 . 1 1 8 LEU HD12 H -6.847 6.807 2.554 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 5 . 739 . 1 1 8 LEU HD13 H -5.516 7.901 2.177 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 5 . 740 . 1 1 8 LEU HD21 H -8.672 7.171 1.528 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 5 . 741 . 1 1 8 LEU HD22 H -8.827 7.783 -0.119 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 5 . 742 . 1 1 8 LEU HD23 H -8.309 8.861 1.179 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 5 . 743 . 1 1 8 LEU HG H -6.799 6.632 -0.143 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 5 . 744 . 1 1 8 LEU N N -5.865 9.060 -2.547 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 5 . 745 . 1 1 8 LEU O O -8.203 11.067 -0.888 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 5 . 746 . 1 1 9 LEU C C -5.903 13.749 -2.385 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 5 . 747 . 1 1 9 LEU CA C -6.218 12.990 -1.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 5 . 748 . 1 1 9 LEU CB C -5.322 13.491 0.034 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 5 . 749 . 1 1 9 LEU CD1 C -4.219 13.149 2.259 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 5 . 750 . 1 1 9 LEU CD2 C -6.524 12.263 1.860 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 5 . 751 . 1 1 9 LEU CG C -5.169 12.552 1.231 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 5 . 752 . 1 1 9 LEU H H -5.154 11.208 -1.508 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 5 . 753 . 1 1 9 LEU HA H -7.251 13.166 -0.837 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 5 . 754 . 1 1 9 LEU HB2 H -4.340 13.668 -0.375 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 755 . 1 1 9 LEU HB3 H -5.735 14.423 0.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 5 . 756 . 1 1 9 LEU HD11 H -4.762 13.830 2.898 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 5 . 757 . 1 1 9 LEU HD12 H -3.430 13.684 1.752 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 5 . 758 . 1 1 9 LEU HD13 H -3.791 12.357 2.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 5 . 759 . 1 1 9 LEU HD21 H -7.223 11.972 1.089 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 5 . 760 . 1 1 9 LEU HD22 H -6.887 13.151 2.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 5 . 761 . 1 1 9 LEU HD23 H -6.425 11.462 2.577 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 5 . 762 . 1 1 9 LEU HG H -4.748 11.615 0.894 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 5 . 763 . 1 1 9 LEU N N -6.043 11.554 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 5 . 764 . 1 1 9 LEU O O -5.588 14.917 -2.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 5 . 765 . 1 1 10 ABA C C -6.712 14.749 -5.146 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 5 . 766 . 1 1 10 ABA CA C -5.721 13.638 -4.872 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 5 . 767 . 1 1 10 ABA H H -6.276 12.015 -3.454 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 5 . 768 . 1 1 10 ABA N N -5.996 13.026 -3.559 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 5 . 769 . 1 1 10 ABA O O -6.264 15.877 -5.353 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 5 . 770 . 1 1 11 PRO C C -9.152 16.524 -4.293 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 5 . 771 . 1 1 11 PRO CA C -9.035 15.518 -5.433 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 5 . 772 . 1 1 11 PRO CB C -10.332 14.717 -5.575 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 5 . 773 . 1 1 11 PRO CD C -8.632 13.166 -4.928 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 5 . 774 . 1 1 11 PRO CG C -10.097 13.474 -4.789 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 5 . 775 . 1 1 11 PRO HA H -8.831 16.043 -6.355 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 5 . 776 . 1 1 11 PRO HB2 H -11.157 15.290 -5.175 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 777 . 1 1 11 PRO HB3 H -10.511 14.498 -6.617 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 5 . 778 . 1 1 11 PRO HD2 H -8.251 12.726 -4.019 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 5 . 779 . 1 1 11 PRO HD3 H -8.462 12.509 -5.768 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 5 . 780 . 1 1 11 PRO HG2 H -10.349 13.641 -3.753 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 5 . 781 . 1 1 11 PRO HG3 H -10.689 12.667 -5.195 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 5 . 782 . 1 1 11 PRO N N -8.027 14.488 -5.166 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 5 . 783 . 1 1 11 PRO O O -9.731 17.582 -4.386 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 5 . 784 . 1 1 12 DCL C C -7.647 18.225 -2.139 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 5 . 785 . 1 1 12 DCL CA C -8.573 17.032 -1.910 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 5 . 786 . 1 1 12 DCL CB C -8.098 16.238 -0.685 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 5 . 787 . 1 1 12 DCL CD1 C -10.277 16.315 0.531 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 5 . 788 . 1 1 12 DCL CD2 C -8.689 14.464 1.021 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 5 . 789 . 1 1 12 DCL CG C -9.221 15.388 -0.076 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 5 . 790 . 1 1 12 DCL HA H -9.611 17.396 -1.729 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 5 . 791 . 1 1 12 DCL HB1 H -7.266 15.568 -0.993 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 5 . 792 . 1 1 12 DCL HB2 H -7.731 16.952 0.085 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 5 . 793 . 1 1 12 DCL HC1 H -6.663 18.063 -1.647 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 5 . 794 . 1 1 12 DCL HC2 H -7.492 18.407 -3.224 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 5 . 795 . 1 1 12 DCL HD11 H -9.781 17.217 0.950 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 5 . 796 . 1 1 12 DCL HD12 H -10.998 16.620 -0.257 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 5 . 797 . 1 1 12 DCL HD13 H -10.817 15.779 1.342 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 5 . 798 . 1 1 12 DCL HD21 H -7.669 14.790 1.318 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 5 . 799 . 1 1 12 DCL HD22 H -9.364 14.511 1.903 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 5 . 800 . 1 1 12 DCL HD23 H -8.648 13.422 0.639 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 5 . 801 . 1 1 12 DCL HG H -9.664 14.762 -0.880 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 5 . 802 . 1 1 12 DCL HN1 H -8.068 15.233 -3.105 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 5 . 803 . 1 1 12 DCL HXT H -8.429 20.191 -2.165 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 5 . 804 . 1 1 12 DCL N N -8.550 16.169 -3.103 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 5 . 805 . 1 1 12 DCL OXT O -8.231 19.390 -1.578 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 6 . 806 . 1 1 1 ACE C C 0.125 1.890 -0.120 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 6 . 807 . 1 1 1 ACE CH3 C 0.112 0.401 -0.079 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 6 . 808 . 1 1 1 ACE H1 H 0.971 0.046 0.491 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 6 . 809 . 1 1 1 ACE H2 H -0.807 0.059 0.398 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 6 . 810 . 1 1 1 ACE H3 H 0.162 0.009 -1.095 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 6 . 811 . 1 1 1 ACE O O -0.860 2.590 -0.176 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 6 . 812 . 1 1 2 ABA C C 1.023 4.490 -1.421 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 6 . 813 . 1 1 2 ABA CA C 1.568 3.927 -0.125 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 6 . 814 . 1 1 2 ABA H H 2.192 1.792 -0.042 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 6 . 815 . 1 1 2 ABA N N 1.381 2.465 -0.091 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 6 . 816 . 1 1 2 ABA O O 0.917 5.713 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 6 . 817 . 1 1 3 ASN C C -1.311 4.516 -3.565 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 6 . 818 . 1 1 3 ASN CA C 0.172 4.180 -3.681 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 6 . 819 . 1 1 3 ASN CB C 0.388 3.151 -4.793 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 6 . 820 . 1 1 3 ASN CG C 1.796 3.194 -5.355 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 6 . 821 . 1 1 3 ASN H H 0.798 2.706 -2.296 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 6 . 822 . 1 1 3 ASN HA H 0.716 5.080 -3.925 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 6 . 823 . 1 1 3 ASN HB2 H 0.208 2.161 -4.400 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 824 . 1 1 3 ASN HB3 H -0.307 3.347 -5.596 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 6 . 825 . 1 1 3 ASN HD21 H 2.555 2.884 -3.543 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 6 . 826 . 1 1 3 ASN HD22 H 3.705 3.049 -4.822 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 6 . 827 . 1 1 3 ASN N N 0.691 3.672 -2.416 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 6 . 828 . 1 1 3 ASN ND2 N 2.785 3.025 -4.486 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 6 . 829 . 1 1 3 ASN O O -1.854 5.263 -4.379 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 6 . 830 . 1 1 3 ASN OD1 O 1.991 3.377 -6.557 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 6 . 831 . 1 1 4 ILE C C -3.607 5.543 -1.634 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 6 . 832 . 1 1 4 ILE CA C -3.380 4.202 -2.324 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 6 . 833 . 1 1 4 ILE CB C -4.015 3.086 -1.473 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 6 . 834 . 1 1 4 ILE CD1 C -4.161 1.541 -3.491 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 6 . 835 . 1 1 4 ILE CG1 C -3.686 1.714 -2.065 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 6 . 836 . 1 1 4 ILE CG2 C -5.521 3.282 -1.381 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 6 . 837 . 1 1 4 ILE H H -1.473 3.373 -1.933 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 6 . 838 . 1 1 4 ILE HA H -3.871 4.217 -3.286 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 6 . 839 . 1 1 4 ILE HB H -3.606 3.147 -0.476 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 6 . 840 . 1 1 4 ILE HD11 H -4.118 0.497 -3.762 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 6 . 841 . 1 1 4 ILE HD12 H -5.177 1.895 -3.578 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 6 . 842 . 1 1 4 ILE HD13 H -3.525 2.110 -4.154 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 6 . 843 . 1 1 4 ILE HG12 H -2.617 1.570 -2.053 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 6 . 844 . 1 1 4 ILE HG13 H -4.155 0.949 -1.463 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 6 . 845 . 1 1 4 ILE HG21 H -5.830 4.035 -2.090 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 6 . 846 . 1 1 4 ILE HG22 H -6.019 2.351 -1.606 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 6 . 847 . 1 1 4 ILE HG23 H -5.782 3.598 -0.382 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 6 . 848 . 1 1 4 ILE N N -1.960 3.960 -2.548 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 6 . 849 . 1 1 4 ILE O O -4.639 6.186 -1.829 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 6 . 850 . 1 1 5 ILE C C -2.667 8.407 -1.074 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 6 . 851 . 1 1 5 ILE CA C -2.728 7.225 -0.112 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 6 . 852 . 1 1 5 ILE CB C -1.602 7.367 0.929 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 6 . 853 . 1 1 5 ILE CD1 C -0.714 6.418 3.117 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 6 . 854 . 1 1 5 ILE CG1 C -1.763 6.320 2.032 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 6 . 855 . 1 1 5 ILE CG2 C -1.598 8.769 1.518 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 6 . 856 . 1 1 5 ILE H H -1.838 5.403 -0.714 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 6 . 857 . 1 1 5 ILE HA H -3.676 7.246 0.407 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 6 . 858 . 1 1 5 ILE HB H -0.658 7.210 0.429 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 6 . 859 . 1 1 5 ILE HD11 H -0.605 5.459 3.601 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 6 . 860 . 1 1 5 ILE HD12 H 0.229 6.712 2.681 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 6 . 861 . 1 1 5 ILE HD13 H -1.019 7.156 3.846 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 6 . 862 . 1 1 5 ILE HG12 H -2.730 6.439 2.495 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 6 . 863 . 1 1 5 ILE HG13 H -1.698 5.334 1.595 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 6 . 864 . 1 1 5 ILE HG21 H -1.385 9.486 0.739 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 6 . 865 . 1 1 5 ILE HG22 H -2.567 8.982 1.946 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 6 . 866 . 1 1 5 ILE HG23 H -0.843 8.836 2.286 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 6 . 867 . 1 1 5 ILE N N -2.636 5.959 -0.829 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 6 . 868 . 1 1 5 ILE O O -3.148 9.492 -0.838 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 6 . 869 . 1 1 6 ABA C C -3.260 9.673 -3.770 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 6 . 870 . 1 1 6 ABA CA C -1.890 9.240 -3.295 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 6 . 871 . 1 1 6 ABA H H -1.625 7.215 -2.409 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 6 . 872 . 1 1 6 ABA N N -2.019 8.184 -2.274 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 6 . 873 . 1 1 6 ABA O O -3.582 10.848 -3.593 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 6 . 874 . 1 1 7 PRO C C -6.387 9.433 -3.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 6 . 875 . 1 1 7 PRO CA C -5.410 9.152 -4.857 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 6 . 876 . 1 1 7 PRO CB C -5.846 7.913 -5.643 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 6 . 877 . 1 1 7 PRO CD C -3.757 7.375 -4.612 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 6 . 878 . 1 1 7 PRO CG C -5.076 6.790 -5.039 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 6 . 879 . 1 1 7 PRO HA H -5.373 10.005 -5.518 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 6 . 880 . 1 1 7 PRO HB2 H -6.911 7.769 -5.530 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 881 . 1 1 7 PRO HB3 H -5.603 8.041 -6.687 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 6 . 882 . 1 1 7 PRO HD2 H -3.407 6.897 -3.709 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 6 . 883 . 1 1 7 PRO HD3 H -3.027 7.275 -5.402 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 6 . 884 . 1 1 7 PRO HG2 H -5.606 6.399 -4.184 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 6 . 885 . 1 1 7 PRO HG3 H -4.921 6.014 -5.774 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 6 . 886 . 1 1 7 PRO N N -4.075 8.791 -4.368 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 6 . 887 . 1 1 7 PRO O O -7.456 10.006 -3.935 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 6 . 888 . 1 1 8 LEU C C -7.144 10.721 -1.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 6 . 889 . 1 1 8 LEU CA C -6.858 9.237 -1.341 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 6 . 890 . 1 1 8 LEU CB C -6.188 8.655 -0.095 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 6 . 891 . 1 1 8 LEU CD1 C -6.222 7.113 1.881 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 6 . 892 . 1 1 8 LEU CD2 C -8.373 7.925 0.896 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 6 . 893 . 1 1 8 LEU CG C -6.937 7.518 0.601 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 6 . 894 . 1 1 8 LEU H H -5.151 8.577 -2.404 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 6 . 895 . 1 1 8 LEU HA H -7.793 8.723 -1.510 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 6 . 896 . 1 1 8 LEU HB2 H -5.217 8.284 -0.384 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 897 . 1 1 8 LEU HB3 H -6.067 9.458 0.619 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 6 . 898 . 1 1 8 LEU HD11 H -6.947 6.776 2.606 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 6 . 899 . 1 1 8 LEU HD12 H -5.684 7.961 2.277 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 6 . 900 . 1 1 8 LEU HD13 H -5.527 6.314 1.667 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 6 . 901 . 1 1 8 LEU HD21 H -8.686 7.488 1.832 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 6 . 902 . 1 1 8 LEU HD22 H -9.017 7.575 0.102 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 6 . 903 . 1 1 8 LEU HD23 H -8.435 9.001 0.962 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 6 . 904 . 1 1 8 LEU HG H -6.960 6.657 -0.054 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 6 . 905 . 1 1 8 LEU N N -6.014 9.027 -2.512 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 6 . 906 . 1 1 8 LEU O O -8.275 11.111 -0.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 6 . 907 . 1 1 9 LEU C C -5.942 13.718 -2.420 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 6 . 908 . 1 1 9 LEU CA C -6.252 12.985 -1.119 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 6 . 909 . 1 1 9 LEU CB C -5.325 13.482 -0.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 6 . 910 . 1 1 9 LEU CD1 C -4.505 11.987 1.831 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 6 . 911 . 1 1 9 LEU CD2 C -5.751 14.084 2.388 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 6 . 912 . 1 1 9 LEU CG C -5.607 12.940 1.394 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 6 . 913 . 1 1 9 LEU H H -5.235 11.173 -1.518 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 6 . 914 . 1 1 9 LEU HA H -7.275 13.189 -0.840 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 6 . 915 . 1 1 9 LEU HB2 H -4.316 13.205 -0.271 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 916 . 1 1 9 LEU HB3 H -5.403 14.559 0.030 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 6 . 917 . 1 1 9 LEU HD11 H -3.760 12.531 2.390 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 6 . 918 . 1 1 9 LEU HD12 H -4.048 11.543 0.959 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 6 . 919 . 1 1 9 LEU HD13 H -4.927 11.210 2.452 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 6 . 920 . 1 1 9 LEU HD21 H -4.772 14.402 2.714 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 6 . 921 . 1 1 9 LEU HD22 H -6.323 13.749 3.242 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 6 . 922 . 1 1 9 LEU HD23 H -6.260 14.910 1.915 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 6 . 923 . 1 1 9 LEU HG H -6.538 12.390 1.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 6 . 924 . 1 1 9 LEU N N -6.112 11.543 -1.287 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 6 . 925 . 1 1 9 LEU O O -5.602 14.878 -2.474 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 6 . 926 . 1 1 10 ABA C C -6.772 14.700 -5.178 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 6 . 927 . 1 1 10 ABA CA C -5.805 13.566 -4.908 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 6 . 928 . 1 1 10 ABA H H -6.371 11.977 -3.456 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 6 . 929 . 1 1 10 ABA N N -6.072 12.980 -3.581 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 6 . 930 . 1 1 10 ABA O O -6.298 15.812 -5.411 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 6 . 931 . 1 1 11 PRO C C -9.146 16.552 -4.303 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 6 . 932 . 1 1 11 PRO CA C -9.079 15.527 -5.430 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 6 . 933 . 1 1 11 PRO CB C -10.400 14.760 -5.535 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 6 . 934 . 1 1 11 PRO CD C -8.729 13.173 -4.898 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 6 . 935 . 1 1 11 PRO CG C -10.182 13.522 -4.735 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 6 . 936 . 1 1 11 PRO HA H -8.880 16.033 -6.364 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 6 . 937 . 1 1 11 PRO HB2 H -11.201 15.360 -5.126 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 938 . 1 1 11 PRO HB3 H -10.606 14.530 -6.569 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 6 . 939 . 1 1 11 PRO HD2 H -8.342 12.735 -3.990 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 6 . 940 . 1 1 11 PRO HD3 H -8.594 12.499 -5.732 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 6 . 941 . 1 1 11 PRO HG2 H -10.408 13.711 -3.697 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 6 . 942 . 1 1 11 PRO HG3 H -10.804 12.725 -5.117 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 6 . 943 . 1 1 11 PRO N N -8.094 14.474 -5.168 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 6 . 944 . 1 1 11 PRO O O -9.688 17.629 -4.405 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 6 . 945 . 1 1 12 DCL C C -7.510 18.194 -2.168 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 6 . 946 . 1 1 12 DCL CA C -8.520 17.072 -1.935 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 6 . 947 . 1 1 12 DCL CB C -8.115 16.265 -0.693 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 6 . 948 . 1 1 12 DCL CD1 C -10.316 16.470 0.467 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 6 . 949 . 1 1 12 DCL CD2 C -8.841 14.545 1.016 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 6 . 950 . 1 1 12 DCL CG C -9.297 15.482 -0.103 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 6 . 951 . 1 1 12 DCL HA H -9.531 17.509 -1.773 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 6 . 952 . 1 1 12 DCL HB1 H -7.315 15.547 -0.977 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 6 . 953 . 1 1 12 DCL HB2 H -7.728 16.964 0.079 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 6 . 954 . 1 1 12 DCL HC1 H -6.475 17.792 -2.223 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 6 . 955 . 1 1 12 DCL HC2 H -7.740 18.750 -3.102 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 6 . 956 . 1 1 12 DCL HD11 H -10.489 16.245 1.541 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 6 . 957 . 1 1 12 DCL HD12 H -9.926 17.505 0.363 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 6 . 958 . 1 1 12 DCL HD13 H -11.274 16.376 -0.090 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 6 . 959 . 1 1 12 DCL HD21 H -9.526 13.672 1.072 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 6 . 960 . 1 1 12 DCL HD22 H -7.808 14.191 0.805 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 6 . 961 . 1 1 12 DCL HD23 H -8.856 15.089 1.984 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 6 . 962 . 1 1 12 DCL HG H -9.752 14.870 -0.911 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 6 . 963 . 1 1 12 DCL HN1 H -8.093 15.239 -3.110 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 6 . 964 . 1 1 12 DCL HXT H -7.790 20.083 -1.257 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 6 . 965 . 1 1 12 DCL N N -8.542 16.193 -3.116 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 6 . 966 . 1 1 12 DCL OXT O -7.566 19.111 -1.086 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 7 . 967 . 1 1 1 ACE C C 0.122 1.806 0.004 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 7 . 968 . 1 1 1 ACE CH3 C 0.105 0.316 0.028 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 7 . 969 . 1 1 1 ACE H1 H 0.928 -0.047 0.644 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 7 . 970 . 1 1 1 ACE H2 H -0.841 -0.029 0.446 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 7 . 971 . 1 1 1 ACE H3 H 0.215 -0.065 -0.987 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 7 . 972 . 1 1 1 ACE O O -0.860 2.509 -0.059 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 7 . 973 . 1 1 2 ABA C C 1.074 4.414 -1.265 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 7 . 974 . 1 1 2 ABA CA C 1.571 3.838 0.045 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 7 . 975 . 1 1 2 ABA H H 2.188 1.701 0.113 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 7 . 976 . 1 1 2 ABA N N 1.380 2.376 0.060 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 7 . 977 . 1 1 2 ABA O O 1.006 5.639 -1.344 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 7 . 978 . 1 1 3 ASN C C -1.203 4.520 -3.458 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 7 . 979 . 1 1 3 ASN CA C 0.268 4.123 -3.543 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 7 . 980 . 1 1 3 ASN CB C 0.463 3.080 -4.645 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 7 . 981 . 1 1 3 ASN CG C 1.879 3.072 -5.189 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 7 . 982 . 1 1 3 ASN H H 0.816 2.635 -2.141 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 7 . 983 . 1 1 3 ASN HA H 0.852 4.999 -3.782 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 7 . 984 . 1 1 3 ASN HB2 H 0.246 2.100 -4.246 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 985 . 1 1 3 ASN HB3 H -0.215 3.292 -5.458 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 7 . 986 . 1 1 3 ASN HD21 H 1.190 2.903 -7.047 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 7 . 987 . 1 1 3 ASN HD22 H 2.909 2.959 -6.885 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 7 . 988 . 1 1 3 ASN N N 0.741 3.604 -2.265 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 7 . 989 . 1 1 3 ASN ND2 N 2.005 2.968 -6.507 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 7 . 990 . 1 1 3 ASN O O -1.698 5.287 -4.285 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 7 . 991 . 1 1 3 ASN OD1 O 2.847 3.158 -4.433 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 7 . 992 . 1 1 4 ILE C C -3.494 5.644 -1.574 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 7 . 993 . 1 1 4 ILE CA C -3.308 4.295 -2.259 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 7 . 994 . 1 1 4 ILE CB C -4.006 3.206 -1.423 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 7 . 995 . 1 1 4 ILE CD1 C -4.143 1.654 -3.435 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 7 . 996 . 1 1 4 ILE CG1 C -3.705 1.820 -1.997 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 7 . 997 . 1 1 4 ILE CG2 C -5.506 3.452 -1.378 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 7 . 998 . 1 1 4 ILE H H -1.444 3.390 -1.827 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 7 . 999 . 1 1 4 ILE HA H -3.777 4.329 -3.232 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 7 . 1000 . 1 1 4 ILE HB H -3.626 3.260 -0.414 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 7 . 1001 . 1 1 4 ILE HD11 H -4.798 0.799 -3.516 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 7 . 1002 . 1 1 4 ILE HD12 H -4.665 2.541 -3.758 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 7 . 1003 . 1 1 4 ILE HD13 H -3.274 1.500 -4.060 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 7 . 1004 . 1 1 4 ILE HG12 H -2.642 1.641 -1.952 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 7 . 1005 . 1 1 4 ILE HG13 H -4.217 1.075 -1.405 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 7 . 1006 . 1 1 4 ILE HG21 H -5.771 4.193 -2.118 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 7 . 1007 . 1 1 4 ILE HG22 H -6.028 2.531 -1.589 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 7 . 1008 . 1 1 4 ILE HG23 H -5.784 3.808 -0.397 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 7 . 1009 . 1 1 4 ILE N N -1.895 3.994 -2.453 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 7 . 1010 . 1 1 4 ILE O O -4.505 6.318 -1.772 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 7 . 1011 . 1 1 5 ILE C C -2.521 8.479 -1.025 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 7 . 1012 . 1 1 5 ILE CA C -2.565 7.303 -0.055 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 7 . 1013 . 1 1 5 ILE CB C -1.404 7.435 0.948 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 7 . 1014 . 1 1 5 ILE CD1 C -2.652 6.817 3.079 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 7 . 1015 . 1 1 5 ILE CG1 C -1.573 6.432 2.091 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 7 . 1016 . 1 1 5 ILE CG2 C -1.331 8.855 1.489 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 7 . 1017 . 1 1 5 ILE H H -1.731 5.451 -0.651 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 7 . 1018 . 1 1 5 ILE HA H -3.495 7.337 0.494 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 7 . 1019 . 1 1 5 ILE HB H -0.483 7.226 0.428 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 7 . 1020 . 1 1 5 ILE HD11 H -3.432 7.361 2.567 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 7 . 1021 . 1 1 5 ILE HD12 H -3.067 5.926 3.525 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 7 . 1022 . 1 1 5 ILE HD13 H -2.226 7.441 3.851 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 7 . 1023 . 1 1 5 ILE HG12 H -1.828 5.468 1.681 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 7 . 1024 . 1 1 5 ILE HG13 H -0.640 6.353 2.631 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 7 . 1025 . 1 1 5 ILE HG21 H -2.328 9.266 1.558 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 7 . 1026 . 1 1 5 ILE HG22 H -0.879 8.844 2.469 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 7 . 1027 . 1 1 5 ILE HG23 H -0.737 9.464 0.824 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 7 . 1028 . 1 1 5 ILE N N -2.511 6.032 -0.768 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 7 . 1029 . 1 1 5 ILE O O -3.003 9.563 -0.788 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 7 . 1030 . 1 1 6 ABA C C -3.152 9.708 -3.740 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 7 . 1031 . 1 1 6 ABA CA C -1.775 9.302 -3.260 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 7 . 1032 . 1 1 6 ABA H H -1.492 7.283 -2.366 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 7 . 1033 . 1 1 6 ABA N N -1.887 8.251 -2.231 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 7 . 1034 . 1 1 6 ABA O O -3.497 10.877 -3.567 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 7 . 1035 . 1 1 7 PRO C C -6.274 9.407 -3.700 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 7 . 1036 . 1 1 7 PRO CA C -5.288 9.142 -4.832 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 7 . 1037 . 1 1 7 PRO CB C -5.697 7.894 -5.617 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 7 . 1038 . 1 1 7 PRO CD C -3.602 7.398 -4.579 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 7 . 1039 . 1 1 7 PRO CG C -4.907 6.787 -5.008 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 7 . 1040 . 1 1 7 PRO HA H -5.265 9.995 -5.495 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 7 . 1041 . 1 1 7 PRO HB2 H -6.760 7.729 -5.507 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 1042 . 1 1 7 PRO HB3 H -5.454 8.024 -6.661 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 7 . 1043 . 1 1 7 PRO HD2 H -3.246 6.929 -3.674 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 7 . 1044 . 1 1 7 PRO HD3 H -2.868 7.311 -5.366 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 7 . 1045 . 1 1 7 PRO HG2 H -5.433 6.387 -4.154 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 7 . 1046 . 1 1 7 PRO HG3 H -4.735 6.013 -5.741 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 7 . 1047 . 1 1 7 PRO N N -3.948 8.809 -4.339 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 7 . 1048 . 1 1 7 PRO O O -7.353 9.959 -3.919 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 7 . 1049 . 1 1 8 LEU C C -7.065 10.685 -1.118 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 7 . 1050 . 1 1 8 LEU CA C -6.749 9.206 -1.321 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 7 . 1051 . 1 1 8 LEU CB C -6.071 8.642 -0.071 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 7 . 1052 . 1 1 8 LEU CD1 C -6.080 7.104 1.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 7 . 1053 . 1 1 8 LEU CD2 C -8.243 7.870 0.914 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 7 . 1054 . 1 1 8 LEU CG C -6.798 7.491 0.625 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 7 . 1055 . 1 1 8 LEU H H -5.026 8.577 -2.377 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 7 . 1056 . 1 1 8 LEU HA H -7.672 8.673 -1.491 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 7 . 1057 . 1 1 8 LEU HB2 H -5.092 8.290 -0.357 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 1058 . 1 1 8 LEU HB3 H -5.968 9.449 0.641 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 7 . 1059 . 1 1 8 LEU HD11 H -6.806 6.919 2.686 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 7 . 1060 . 1 1 8 LEU HD12 H -5.426 7.909 2.211 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 7 . 1061 . 1 1 8 LEU HD13 H -5.497 6.211 1.739 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 7 . 1062 . 1 1 8 LEU HD21 H -8.619 7.262 1.723 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 7 . 1063 . 1 1 8 LEU HD22 H -8.842 7.704 0.030 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 7 . 1064 . 1 1 8 LEU HD23 H -8.293 8.912 1.193 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 7 . 1065 . 1 1 8 LEU HG H -6.802 6.629 -0.027 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 7 . 1066 . 1 1 8 LEU N N -5.897 9.011 -2.489 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 7 . 1067 . 1 1 8 LEU O O -8.205 11.054 -0.833 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 7 . 1068 . 1 1 9 LEU C C -5.918 13.703 -2.407 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 7 . 1069 . 1 1 9 LEU CA C -6.218 12.967 -1.105 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 7 . 1070 . 1 1 9 LEU CB C -5.306 13.484 0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 7 . 1071 . 1 1 9 LEU CD1 C -4.461 12.008 1.850 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 7 . 1072 . 1 1 9 LEU CD2 C -5.751 14.078 2.403 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 7 . 1073 . 1 1 9 LEU CG C -5.581 12.938 1.410 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 7 . 1074 . 1 1 9 LEU H H -5.164 11.174 -1.496 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 7 . 1075 . 1 1 9 LEU HA H -7.246 13.150 -0.831 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 7 . 1076 . 1 1 9 LEU HB2 H -4.290 13.229 -0.252 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 1077 . 1 1 9 LEU HB3 H -5.407 14.560 0.045 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 7 . 1078 . 1 1 9 LEU HD11 H -4.880 11.167 2.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 7 . 1079 . 1 1 9 LEU HD12 H -3.783 12.543 2.498 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 7 . 1080 . 1 1 9 LEU HD13 H -3.925 11.654 0.981 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 7 . 1081 . 1 1 9 LEU HD21 H -6.273 14.895 1.926 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 7 . 1082 . 1 1 9 LEU HD22 H -4.779 14.416 2.733 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 7 . 1083 . 1 1 9 LEU HD23 H -6.321 13.734 3.253 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 7 . 1084 . 1 1 9 LEU HG H -6.500 12.368 1.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 7 . 1085 . 1 1 9 LEU N N -6.049 11.527 -1.269 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 7 . 1086 . 1 1 9 LEU O O -5.600 14.869 -2.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 7 . 1087 . 1 1 10 ABA C C -6.754 14.662 -5.170 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 7 . 1088 . 1 1 10 ABA CA C -5.767 13.547 -4.894 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 7 . 1089 . 1 1 10 ABA H H -6.308 11.951 -3.440 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 7 . 1090 . 1 1 10 ABA N N -6.027 12.959 -3.567 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 7 . 1091 . 1 1 10 ABA O O -6.301 15.783 -5.404 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 7 . 1092 . 1 1 11 PRO C C -9.166 16.471 -4.308 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 7 . 1093 . 1 1 11 PRO CA C -9.076 15.445 -5.433 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 7 . 1094 . 1 1 11 PRO CB C -10.381 14.653 -5.540 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 7 . 1095 . 1 1 11 PRO CD C -8.683 13.099 -4.894 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 7 . 1096 . 1 1 11 PRO CG C -10.143 13.421 -4.737 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 7 . 1097 . 1 1 11 PRO HA H -8.883 15.952 -6.367 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 7 . 1098 . 1 1 11 PRO HB2 H -11.195 15.238 -5.136 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 1099 . 1 1 11 PRO HB3 H -10.579 14.417 -6.575 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 7 . 1100 . 1 1 11 PRO HD2 H -8.291 12.671 -3.983 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 7 . 1101 . 1 1 11 PRO HD3 H -8.532 12.426 -5.725 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 7 . 1102 . 1 1 11 PRO HG2 H -10.377 13.608 -3.700 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 7 . 1103 . 1 1 11 PRO HG3 H -10.748 12.612 -5.119 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 7 . 1104 . 1 1 11 PRO N N -8.072 14.411 -5.164 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 7 . 1105 . 1 1 11 PRO O O -9.730 17.537 -4.414 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 7 . 1106 . 1 1 12 DCL C C -7.566 18.150 -2.172 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 7 . 1107 . 1 1 12 DCL CA C -8.556 17.010 -1.940 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 7 . 1108 . 1 1 12 DCL CB C -8.141 16.213 -0.695 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 7 . 1109 . 1 1 12 DCL CD1 C -10.349 16.381 0.457 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 7 . 1110 . 1 1 12 DCL CD2 C -8.840 14.484 1.016 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 7 . 1111 . 1 1 12 DCL CG C -9.310 15.410 -0.107 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 7 . 1112 . 1 1 12 DCL HA H -9.576 17.429 -1.783 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 7 . 1113 . 1 1 12 DCL HB1 H -7.326 15.510 -0.974 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 7 . 1114 . 1 1 12 DCL HB2 H -7.769 16.922 0.077 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 7 . 1115 . 1 1 12 DCL HC1 H -6.518 17.779 -2.138 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 7 . 1116 . 1 1 12 DCL HC2 H -7.751 18.646 -3.149 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 7 . 1117 . 1 1 12 DCL HD11 H -9.975 17.422 0.359 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 7 . 1118 . 1 1 12 DCL HD12 H -11.301 16.273 -0.107 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 7 . 1119 . 1 1 12 DCL HD13 H -10.526 16.150 1.531 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 7 . 1120 . 1 1 12 DCL HD21 H -9.511 13.600 1.072 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 7 . 1121 . 1 1 12 DCL HD22 H -7.801 14.148 0.809 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 7 . 1122 . 1 1 12 DCL HD23 H -8.868 15.031 1.983 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 7 . 1123 . 1 1 12 DCL HG H -9.751 14.788 -0.915 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 7 . 1124 . 1 1 12 DCL HN1 H -8.089 15.183 -3.110 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 7 . 1125 . 1 1 12 DCL HXT H -7.960 20.077 -1.392 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 7 . 1126 . 1 1 12 DCL N N -8.557 16.127 -3.119 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 7 . 1127 . 1 1 12 DCL OXT O -7.720 19.123 -1.151 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 8 . 1128 . 1 1 1 ACE C C 0.389 2.315 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 8 . 1129 . 1 1 1 ACE CH3 C 0.627 0.852 0.111 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 8 . 1130 . 1 1 1 ACE H1 H 0.627 0.381 -0.872 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 8 . 1131 . 1 1 1 ACE H2 H 1.592 0.689 0.592 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 8 . 1132 . 1 1 1 ACE H3 H -0.162 0.417 0.723 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 8 . 1133 . 1 1 1 ACE O O -0.700 2.839 -0.081 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 8 . 1134 . 1 1 2 ABA C C 0.816 4.909 -1.607 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 8 . 1135 . 1 1 2 ABA CA C 1.470 4.552 -0.289 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 8 . 1136 . 1 1 2 ABA H H 2.445 2.560 -0.092 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 8 . 1137 . 1 1 2 ABA N N 1.532 3.086 -0.135 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 8 . 1138 . 1 1 2 ABA O O 0.551 6.095 -1.793 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 8 . 1139 . 1 1 3 ASN C C -1.568 4.434 -3.636 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 8 . 1140 . 1 1 3 ASN CA C -0.059 4.270 -3.786 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 8 . 1141 . 1 1 3 ASN CB C 0.246 3.167 -4.802 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 8 . 1142 . 1 1 3 ASN CG C 1.207 3.625 -5.882 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 8 . 1143 . 1 1 3 ASN H H 0.795 3.032 -2.297 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 8 . 1144 . 1 1 3 ASN HA H 0.359 5.199 -4.141 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 8 . 1145 . 1 1 3 ASN HB2 H 0.688 2.325 -4.288 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1146 . 1 1 3 ASN HB3 H -0.674 2.854 -5.273 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 8 . 1147 . 1 1 3 ASN HD21 H 2.678 2.574 -5.054 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 8 . 1148 . 1 1 3 ASN HD22 H 3.094 3.452 -6.483 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 8 . 1149 . 1 1 3 ASN N N 0.561 3.961 -2.503 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 8 . 1150 . 1 1 3 ASN ND2 N 2.452 3.171 -5.798 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 8 . 1151 . 1 1 3 ASN O O -2.230 5.007 -4.502 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 8 . 1152 . 1 1 3 ASN OD1 O 0.834 4.379 -6.781 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1153 . 1 1 4 ILE C C -3.871 5.294 -1.496 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 8 . 1154 . 1 1 4 ILE CA C -3.536 4.021 -2.266 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 8 . 1155 . 1 1 4 ILE CB C -4.041 2.805 -1.468 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 8 . 1156 . 1 1 4 ILE CD1 C -3.873 0.267 -1.364 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1157 . 1 1 4 ILE CG1 C -3.718 1.508 -2.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 8 . 1158 . 1 1 4 ILE CG2 C -5.537 2.919 -1.217 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 8 . 1159 . 1 1 4 ILE H H -1.527 3.484 -1.877 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 8 . 1160 . 1 1 4 ILE HA H -4.050 4.042 -3.216 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 8 . 1161 . 1 1 4 ILE HB H -3.540 2.796 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 8 . 1162 . 1 1 4 ILE HD11 H -4.870 0.236 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 8 . 1163 . 1 1 4 ILE HD12 H -3.708 -0.609 -1.972 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 8 . 1164 . 1 1 4 ILE HD13 H -3.151 0.289 -0.560 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 8 . 1165 . 1 1 4 ILE HG12 H -4.378 1.414 -3.061 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 8 . 1166 . 1 1 4 ILE HG13 H -2.696 1.548 -2.562 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 8 . 1167 . 1 1 4 ILE HG21 H -6.002 1.956 -1.367 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 8 . 1168 . 1 1 4 ILE HG22 H -5.708 3.247 -0.203 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 8 . 1169 . 1 1 4 ILE HG23 H -5.964 3.635 -1.903 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 8 . 1170 . 1 1 4 ILE N N -2.106 3.929 -2.530 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 8 . 1171 . 1 1 4 ILE O O -4.994 5.796 -1.565 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 8 . 1172 . 1 1 5 ILE C C -2.921 8.271 -0.855 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 8 . 1173 . 1 1 5 ILE CA C -3.081 7.029 0.015 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 8 . 1174 . 1 1 5 ILE CB C -2.086 7.107 1.188 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 8 . 1175 . 1 1 5 ILE CD1 C -1.359 5.940 3.329 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1176 . 1 1 5 ILE CG1 C -2.294 5.928 2.141 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 8 . 1177 . 1 1 5 ILE CG2 C -2.242 8.427 1.928 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 8 . 1178 . 1 1 5 ILE H H -2.018 5.367 -0.751 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 8 . 1179 . 1 1 5 ILE HA H -4.083 7.012 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 8 . 1180 . 1 1 5 ILE HB H -1.086 7.064 0.786 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 8 . 1181 . 1 1 5 ILE HD11 H -0.571 6.659 3.161 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 8 . 1182 . 1 1 5 ILE HD12 H -1.909 6.207 4.219 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 8 . 1183 . 1 1 5 ILE HD13 H -0.926 4.957 3.456 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 8 . 1184 . 1 1 5 ILE HG12 H -3.305 5.950 2.515 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 8 . 1185 . 1 1 5 ILE HG13 H -2.134 5.006 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 8 . 1186 . 1 1 5 ILE HG21 H -1.554 8.457 2.760 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 8 . 1187 . 1 1 5 ILE HG22 H -2.028 9.244 1.256 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 8 . 1188 . 1 1 5 ILE HG23 H -3.254 8.518 2.295 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 8 . 1189 . 1 1 5 ILE N N -2.891 5.813 -0.765 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 8 . 1190 . 1 1 5 ILE O O -3.437 9.337 -0.607 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 8 . 1191 . 1 1 6 ABA C C -3.216 9.723 -3.499 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 8 . 1192 . 1 1 6 ABA CA C -1.902 9.248 -2.914 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 8 . 1193 . 1 1 6 ABA H H -1.722 7.171 -2.136 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 8 . 1194 . 1 1 6 ABA N N -2.138 8.128 -1.984 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 8 . 1195 . 1 1 6 ABA O O -3.550 10.888 -3.283 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 8 . 1196 . 1 1 7 PRO C C -6.332 9.510 -3.783 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 8 . 1197 . 1 1 7 PRO CA C -5.244 9.289 -4.829 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 8 . 1198 . 1 1 7 PRO CB C -5.601 8.105 -5.731 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 8 . 1199 . 1 1 7 PRO CD C -3.631 7.485 -4.528 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 8 . 1200 . 1 1 7 PRO CG C -4.900 6.940 -5.122 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 8 . 1201 . 1 1 7 PRO HA H -5.137 10.181 -5.429 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 8 . 1202 . 1 1 7 PRO HB2 H -6.673 7.964 -5.736 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1203 . 1 1 7 PRO HB3 H -5.253 8.295 -6.735 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 8 . 1204 . 1 1 7 PRO HD2 H -3.377 6.949 -3.625 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 8 . 1205 . 1 1 7 PRO HD3 H -2.824 7.427 -5.244 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 8 . 1206 . 1 1 7 PRO HG2 H -5.517 6.502 -4.352 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 8 . 1207 . 1 1 7 PRO HG3 H -4.673 6.209 -5.884 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 8 . 1208 . 1 1 7 PRO N N -3.968 8.887 -4.230 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 8 . 1209 . 1 1 7 PRO O O -7.372 10.103 -4.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 8 . 1210 . 1 1 8 LEU C C -7.346 10.645 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 8 . 1211 . 1 1 8 LEU CA C -7.044 9.174 -1.480 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 8 . 1212 . 1 1 8 LEU CB C -6.506 8.512 -0.210 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 8 . 1213 . 1 1 8 LEU CD1 C -6.744 6.852 1.653 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1214 . 1 1 8 LEU CD2 C -8.781 7.742 0.507 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 8 . 1215 . 1 1 8 LEU CG C -7.323 7.341 0.335 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 8 . 1216 . 1 1 8 LEU H H -5.239 8.565 -2.402 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 8 . 1217 . 1 1 8 LEU HA H -7.957 8.679 -1.774 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 8 . 1218 . 1 1 8 LEU HB2 H -5.511 8.151 -0.421 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1219 . 1 1 8 LEU HB3 H -6.456 9.269 0.560 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 8 . 1220 . 1 1 8 LEU HD11 H -6.479 7.701 2.266 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 8 . 1221 . 1 1 8 LEU HD12 H -5.863 6.258 1.461 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 8 . 1222 . 1 1 8 LEU HD13 H -7.478 6.250 2.168 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 8 . 1223 . 1 1 8 LEU HD21 H -9.225 7.155 1.298 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 8 . 1224 . 1 1 8 LEU HD22 H -9.315 7.563 -0.416 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 8 . 1225 . 1 1 8 LEU HD23 H -8.839 8.790 0.760 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 8 . 1226 . 1 1 8 LEU HG H -7.282 6.522 -0.371 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 8 . 1227 . 1 1 8 LEU N N -6.085 9.029 -2.570 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 8 . 1228 . 1 1 8 LEU O O -8.500 11.027 -1.014 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 8 . 1229 . 1 1 9 LEU C C -6.013 13.704 -2.185 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 8 . 1230 . 1 1 9 LEU CA C -6.455 12.897 -0.969 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 8 . 1231 . 1 1 9 LEU CB C -5.644 13.317 0.258 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 8 . 1232 . 1 1 9 LEU CD1 C -3.304 14.179 0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1233 . 1 1 9 LEU CD2 C -3.770 12.260 1.543 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 8 . 1234 . 1 1 9 LEU CG C -4.161 12.945 0.242 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 8 . 1235 . 1 1 9 LEU H H -5.407 11.104 -1.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 8 . 1236 . 1 1 9 LEU HA H -7.501 13.092 -0.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 8 . 1237 . 1 1 9 LEU HB2 H -5.715 14.390 0.349 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1238 . 1 1 9 LEU HB3 H -6.094 12.854 1.125 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 8 . 1239 . 1 1 9 LEU HD11 H -3.238 14.376 -1.051 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 8 . 1240 . 1 1 9 LEU HD12 H -2.314 14.010 0.406 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 8 . 1241 . 1 1 9 LEU HD13 H -3.750 15.027 0.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 8 . 1242 . 1 1 9 LEU HD21 H -4.442 12.570 2.330 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 8 . 1243 . 1 1 9 LEU HD22 H -2.758 12.535 1.805 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 8 . 1244 . 1 1 9 LEU HD23 H -3.831 11.189 1.419 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 8 . 1245 . 1 1 9 LEU HG H -3.979 12.254 -0.569 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 8 . 1246 . 1 1 9 LEU N N -6.302 11.466 -1.210 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 8 . 1247 . 1 1 9 LEU O O -5.666 14.862 -2.134 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 8 . 1248 . 1 1 10 ABA C C -6.559 14.857 -4.950 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 8 . 1249 . 1 1 10 ABA CA C -5.626 13.702 -4.651 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 8 . 1250 . 1 1 10 ABA H H -6.340 12.033 -3.364 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 8 . 1251 . 1 1 10 ABA N N -6.027 13.039 -3.397 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 8 . 1252 . 1 1 10 ABA O O -6.064 15.978 -5.065 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 8 . 1253 . 1 1 11 PRO C C -9.010 16.668 -4.211 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 8 . 1254 . 1 1 11 PRO CA C -8.828 15.713 -5.386 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 8 . 1255 . 1 1 11 PRO CB C -10.131 14.962 -5.671 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 8 . 1256 . 1 1 11 PRO CD C -8.535 13.328 -4.964 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 8 . 1257 . 1 1 11 PRO CG C -9.998 13.676 -4.930 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 8 . 1258 . 1 1 11 PRO HA H -8.535 16.273 -6.261 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 8 . 1259 . 1 1 11 PRO HB2 H -10.970 15.541 -5.311 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1260 . 1 1 11 PRO HB3 H -10.231 14.796 -6.733 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 8 . 1261 . 1 1 11 PRO HD2 H -8.243 12.834 -4.050 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 8 . 1262 . 1 1 11 PRO HD3 H -8.316 12.705 -5.819 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 8 . 1263 . 1 1 11 PRO HG2 H -10.329 13.804 -3.910 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 8 . 1264 . 1 1 11 PRO HG3 H -10.577 12.908 -5.420 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 8 . 1265 . 1 1 11 PRO N N -7.876 14.639 -5.088 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 8 . 1266 . 1 1 11 PRO O O -9.552 17.747 -4.299 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 8 . 1267 . 1 1 12 DCL C C -7.625 18.214 -1.860 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 8 . 1268 . 1 1 12 DCL CA C -8.610 17.050 -1.769 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 8 . 1269 . 1 1 12 DCL CB C -8.270 16.183 -0.548 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 8 . 1270 . 1 1 12 DCL CD1 C -10.542 16.288 0.482 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 8 . 1271 . 1 1 12 DCL CD2 C -9.068 14.356 1.011 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 8 . 1272 . 1 1 12 DCL CG C -9.471 15.350 -0.079 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 8 . 1273 . 1 1 12 DCL HA H -9.645 17.445 -1.659 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 8 . 1274 . 1 1 12 DCL HB1 H -7.439 15.495 -0.817 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 8 . 1275 . 1 1 12 DCL HB2 H -7.947 16.845 0.284 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 8 . 1276 . 1 1 12 DCL HC1 H -6.576 17.855 -1.780 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 8 . 1277 . 1 1 12 DCL HC2 H -7.754 18.771 -2.813 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 8 . 1278 . 1 1 12 DCL HD11 H -11.527 16.036 0.035 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 8 . 1279 . 1 1 12 DCL HD12 H -10.594 16.171 1.586 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 8 . 1280 . 1 1 12 DCL HD13 H -10.280 17.339 0.233 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 8 . 1281 . 1 1 12 DCL HD21 H -8.105 14.674 1.465 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 8 . 1282 . 1 1 12 DCL HD22 H -9.856 14.328 1.796 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 8 . 1283 . 1 1 12 DCL HD23 H -8.952 13.344 0.566 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 8 . 1284 . 1 1 12 DCL HG H -9.865 14.779 -0.947 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 8 . 1285 . 1 1 12 DCL HN1 H -8.057 15.292 -3.005 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 8 . 1286 . 1 1 12 DCL HXT H -8.101 20.080 -0.983 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 8 . 1287 . 1 1 12 DCL N N -8.514 16.242 -2.996 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 8 . 1288 . 1 1 12 DCL OXT O -7.862 19.116 -0.789 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 9 . 1289 . 1 1 1 ACE C C 0.491 2.280 -0.055 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 9 . 1290 . 1 1 1 ACE CH3 C 0.711 0.821 0.150 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 9 . 1291 . 1 1 1 ACE H1 H 1.409 0.671 0.974 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 9 . 1292 . 1 1 1 ACE H2 H -0.238 0.340 0.386 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 9 . 1293 . 1 1 1 ACE H3 H 1.124 0.384 -0.759 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 9 . 1294 . 1 1 1 ACE O O -0.589 2.825 -0.057 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 9 . 1295 . 1 1 2 ABA C C 0.871 4.789 -1.765 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 9 . 1296 . 1 1 2 ABA CA C 1.596 4.480 -0.473 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 9 . 1297 . 1 1 2 ABA H H 2.544 2.479 -0.239 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 9 . 1298 . 1 1 2 ABA N N 1.640 3.022 -0.254 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 9 . 1299 . 1 1 2 ABA O O 0.616 5.971 -1.992 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 9 . 1300 . 1 1 3 ASN C C -1.639 4.271 -3.626 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 9 . 1301 . 1 1 3 ASN CA C -0.145 4.069 -3.857 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 9 . 1302 . 1 1 3 ASN CB C 0.080 2.914 -4.836 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 9 . 1303 . 1 1 3 ASN CG C 1.105 3.250 -5.901 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 9 . 1304 . 1 1 3 ASN H H 0.775 2.884 -2.364 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 9 . 1305 . 1 1 3 ASN HA H 0.269 4.972 -4.280 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 9 . 1306 . 1 1 3 ASN HB2 H 0.427 2.049 -4.289 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1307 . 1 1 3 ASN HB3 H -0.854 2.676 -5.323 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 9 . 1308 . 1 1 3 ASN HD21 H 2.462 3.652 -4.503 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 9 . 1309 . 1 1 3 ASN HD22 H 2.988 3.842 -6.138 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 9 . 1310 . 1 1 3 ASN N N 0.545 3.807 -2.599 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 9 . 1311 . 1 1 3 ASN ND2 N 2.306 3.618 -5.471 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 9 . 1312 . 1 1 3 ASN O O -2.340 4.817 -4.478 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 9 . 1313 . 1 1 3 ASN OD1 O 0.821 3.179 -7.097 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1314 . 1 1 4 ILE C C -3.794 5.277 -1.398 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 9 . 1315 . 1 1 4 ILE CA C -3.528 3.963 -2.125 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 9 . 1316 . 1 1 4 ILE CB C -4.007 2.795 -1.242 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 9 . 1317 . 1 1 4 ILE CD1 C -4.131 1.230 -3.245 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1318 . 1 1 4 ILE CG1 C -3.583 1.458 -1.854 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 9 . 1319 . 1 1 4 ILE CG2 C -5.517 2.848 -1.066 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 9 . 1320 . 1 1 4 ILE H H -1.509 3.403 -1.831 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 9 . 1321 . 1 1 4 ILE HA H -4.098 3.951 -3.043 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 9 . 1322 . 1 1 4 ILE HB H -3.551 2.899 -0.270 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 9 . 1323 . 1 1 4 ILE HD11 H -4.730 0.331 -3.253 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 9 . 1324 . 1 1 4 ILE HD12 H -4.740 2.072 -3.536 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 9 . 1325 . 1 1 4 ILE HD13 H -3.312 1.121 -3.942 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 9 . 1326 . 1 1 4 ILE HG12 H -2.507 1.421 -1.912 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 9 . 1327 . 1 1 4 ILE HG13 H -3.933 0.655 -1.222 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 9 . 1328 . 1 1 4 ILE HG21 H -5.875 1.885 -0.735 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 9 . 1329 . 1 1 4 ILE HG22 H -5.767 3.597 -0.329 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 9 . 1330 . 1 1 4 ILE HG23 H -5.981 3.101 -2.008 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 9 . 1331 . 1 1 4 ILE N N -2.118 3.829 -2.469 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 9 . 1332 . 1 1 4 ILE O O -4.910 5.798 -1.425 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 9 . 1333 . 1 1 5 ILE C C -2.754 8.260 -0.956 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 9 . 1334 . 1 1 5 ILE CA C -2.884 7.063 -0.020 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 9 . 1335 . 1 1 5 ILE CB C -1.820 7.174 1.088 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 9 . 1336 . 1 1 5 ILE CD1 C -0.988 6.091 3.236 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1337 . 1 1 5 ILE CG1 C -1.992 6.044 2.106 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 9 . 1338 . 1 1 5 ILE CG2 C -1.908 8.530 1.774 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 9 . 1339 . 1 1 5 ILE H H -1.899 5.346 -0.767 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 9 . 1340 . 1 1 5 ILE HA H -3.860 7.086 0.443 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 9 . 1341 . 1 1 5 ILE HB H -0.846 7.092 0.631 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 9 . 1342 . 1 1 5 ILE HD11 H -0.190 6.773 2.982 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 9 . 1343 . 1 1 5 ILE HD12 H -1.476 6.426 4.139 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 9 . 1344 . 1 1 5 ILE HD13 H -0.579 5.103 3.394 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 9 . 1345 . 1 1 5 ILE HG12 H -2.979 6.104 2.537 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 9 . 1346 . 1 1 5 ILE HG13 H -1.881 5.096 1.601 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 9 . 1347 . 1 1 5 ILE HG21 H -1.171 8.583 2.561 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 9 . 1348 . 1 1 5 ILE HG22 H -1.720 9.310 1.052 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 9 . 1349 . 1 1 5 ILE HG23 H -2.894 8.657 2.194 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 9 . 1350 . 1 1 5 ILE N N -2.762 5.808 -0.751 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 9 . 1351 . 1 1 5 ILE O O -3.234 9.347 -0.728 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 9 . 1352 . 1 1 6 ABA C C -3.178 9.594 -3.642 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 9 . 1353 . 1 1 6 ABA CA C -1.840 9.119 -3.114 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 9 . 1354 . 1 1 6 ABA H H -1.653 7.077 -2.250 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 9 . 1355 . 1 1 6 ABA N N -2.041 8.048 -2.120 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 9 . 1356 . 1 1 6 ABA O O -3.477 10.775 -3.462 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 9 . 1357 . 1 1 7 PRO C C -6.308 9.434 -3.734 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 9 . 1358 . 1 1 7 PRO CA C -5.289 9.143 -4.830 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 9 . 1359 . 1 1 7 PRO CB C -5.721 7.927 -5.652 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 9 . 1360 . 1 1 7 PRO CD C -3.694 7.321 -4.539 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 9 . 1361 . 1 1 7 PRO CG C -5.007 6.776 -5.031 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 9 . 1362 . 1 1 7 PRO HA H -5.201 10.004 -5.476 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 9 . 1363 . 1 1 7 PRO HB2 H -6.794 7.808 -5.588 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1364 . 1 1 7 PRO HB3 H -5.429 8.063 -6.683 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 9 . 1365 . 1 1 7 PRO HD2 H -3.397 6.822 -3.629 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 9 . 1366 . 1 1 7 PRO HD3 H -2.933 7.213 -5.297 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 9 . 1367 . 1 1 7 PRO HG2 H -5.584 6.387 -4.207 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 9 . 1368 . 1 1 7 PRO HG3 H -4.839 6.007 -5.770 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 9 . 1369 . 1 1 7 PRO N N -3.987 8.742 -4.288 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 9 . 1370 . 1 1 7 PRO O O -7.353 10.036 -3.987 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 9 . 1371 . 1 1 8 LEU C C -7.147 10.708 -1.164 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 9 . 1372 . 1 1 8 LEU CA C -6.888 9.220 -1.379 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 9 . 1373 . 1 1 8 LEU CB C -6.287 8.607 -0.113 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 9 . 1374 . 1 1 8 LEU CD1 C -6.444 7.041 1.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1375 . 1 1 8 LEU CD2 C -8.530 7.918 0.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 9 . 1376 . 1 1 8 LEU CG C -7.092 7.479 0.534 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 9 . 1377 . 1 1 8 LEU H H -5.152 8.532 -2.375 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 9 . 1378 . 1 1 8 LEU HA H -7.826 8.731 -1.596 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 9 . 1379 . 1 1 8 LEU HB2 H -5.314 8.216 -0.365 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1380 . 1 1 8 LEU HB3 H -6.178 9.397 0.616 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 9 . 1381 . 1 1 8 LEU HD11 H -6.071 7.907 2.363 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 9 . 1382 . 1 1 8 LEU HD12 H -5.626 6.369 1.626 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 9 . 1383 . 1 1 8 LEU HD13 H -7.176 6.535 2.451 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 9 . 1384 . 1 1 8 LEU HD21 H -8.892 7.480 1.689 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 9 . 1385 . 1 1 8 LEU HD22 H -9.147 7.590 -0.053 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 9 . 1386 . 1 1 8 LEU HD23 H -8.570 8.995 0.846 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 9 . 1387 . 1 1 8 LEU HG H -7.107 6.628 -0.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 9 . 1388 . 1 1 8 LEU N N -5.999 9.005 -2.515 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 9 . 1389 . 1 1 8 LEU O O -8.280 11.123 -0.917 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 9 . 1390 . 1 1 9 LEU C C -5.820 13.691 -2.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 9 . 1391 . 1 1 9 LEU CA C -6.203 12.950 -1.081 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 9 . 1392 . 1 1 9 LEU CB C -5.313 13.410 0.075 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 9 . 1393 . 1 1 9 LEU CD1 C -5.142 11.850 2.031 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1394 . 1 1 9 LEU CD2 C -5.600 14.280 2.409 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 9 . 1395 . 1 1 9 LEU CG C -5.823 13.094 1.482 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 9 . 1396 . 1 1 9 LEU H H -5.213 11.118 -1.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 9 . 1397 . 1 1 9 LEU HA H -7.232 13.175 -0.844 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 9 . 1398 . 1 1 9 LEU HB2 H -4.350 12.937 -0.040 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1399 . 1 1 9 LEU HB3 H -5.198 14.481 -0.003 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 9 . 1400 . 1 1 9 LEU HD11 H -4.163 11.751 1.587 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 9 . 1401 . 1 1 9 LEU HD12 H -5.735 10.980 1.792 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 9 . 1402 . 1 1 9 LEU HD13 H -5.045 11.937 3.103 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 9 . 1403 . 1 1 9 LEU HD21 H -4.553 14.343 2.666 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 9 . 1404 . 1 1 9 LEU HD22 H -6.185 14.149 3.308 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 9 . 1405 . 1 1 9 LEU HD23 H -5.904 15.188 1.911 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 9 . 1406 . 1 1 9 LEU HG H -6.886 12.899 1.437 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 9 . 1407 . 1 1 9 LEU N N -6.090 11.507 -1.262 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 9 . 1408 . 1 1 9 LEU O O -5.450 14.843 -2.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 9 . 1409 . 1 1 10 ABA C C -6.506 14.726 -5.136 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 9 . 1410 . 1 1 10 ABA CA C -5.579 13.566 -4.839 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 9 . 1411 . 1 1 10 ABA H H -6.244 11.973 -3.434 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 9 . 1412 . 1 1 10 ABA N N -5.916 12.970 -3.533 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 9 . 1413 . 1 1 10 ABA O O -5.997 15.829 -5.333 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 9 . 1414 . 1 1 11 PRO C C -8.873 16.623 -4.340 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 9 . 1415 . 1 1 11 PRO CA C -8.780 15.611 -5.477 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 9 . 1416 . 1 1 11 PRO CB C -10.112 14.876 -5.649 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 9 . 1417 . 1 1 11 PRO CD C -8.508 13.242 -4.962 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 9 . 1418 . 1 1 11 PRO CG C -9.959 13.624 -4.858 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 9 . 1419 . 1 1 11 PRO HA H -8.528 16.123 -6.394 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 9 . 1420 . 1 1 11 PRO HB2 H -10.916 15.490 -5.268 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1421 . 1 1 11 PRO HB3 H -10.278 14.664 -6.695 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 9 . 1422 . 1 1 11 PRO HD2 H -8.171 12.785 -4.044 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 9 . 1423 . 1 1 11 PRO HD3 H -8.352 12.576 -5.798 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 9 . 1424 . 1 1 11 PRO HG2 H -10.226 13.805 -3.828 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 9 . 1425 . 1 1 11 PRO HG3 H -10.581 12.847 -5.276 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 9 . 1426 . 1 1 11 PRO N N -7.832 14.531 -5.186 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 9 . 1427 . 1 1 11 PRO O O -9.381 17.715 -4.452 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 9 . 1428 . 1 1 12 DCL C C -7.301 18.199 -2.113 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 9 . 1429 . 1 1 12 DCL CA C -8.344 17.096 -1.939 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 9 . 1430 . 1 1 12 DCL CB C -8.010 16.265 -0.692 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 9 . 1431 . 1 1 12 DCL CD1 C -10.254 16.504 0.375 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 9 . 1432 . 1 1 12 DCL CD2 C -8.845 14.541 0.964 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 9 . 1433 . 1 1 12 DCL CG C -9.232 15.501 -0.163 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 9 . 1434 . 1 1 12 DCL HA H -9.352 17.553 -1.814 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 9 . 1435 . 1 1 12 DCL HB1 H -7.214 15.533 -0.951 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 9 . 1436 . 1 1 12 DCL HB2 H -7.641 16.946 0.105 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 9 . 1437 . 1 1 12 DCL HC1 H -6.390 17.983 -1.513 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 9 . 1438 . 1 1 12 DCL HC2 H -7.021 18.316 -3.182 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 9 . 1439 . 1 1 12 DCL HD11 H -9.928 17.536 0.125 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 9 . 1440 . 1 1 12 DCL HD12 H -11.245 16.306 -0.087 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 9 . 1441 . 1 1 12 DCL HD13 H -10.331 16.398 1.479 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 9 . 1442 . 1 1 12 DCL HD21 H -7.940 14.925 1.483 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 9 . 1443 . 1 1 12 DCL HD22 H -9.684 14.466 1.689 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 9 . 1444 . 1 1 12 DCL HD23 H -8.630 13.538 0.538 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 9 . 1445 . 1 1 12 DCL HG H -9.665 14.908 -0.997 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 9 . 1446 . 1 1 12 DCL HN1 H -7.911 15.267 -3.118 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 9 . 1447 . 1 1 12 DCL HXT H -7.908 20.217 -2.299 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 9 . 1448 . 1 1 12 DCL N N -8.334 16.232 -3.131 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 9 . 1449 . 1 1 12 DCL OXT O -7.840 19.433 -1.663 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 10 . 1450 . 1 1 1 ACE C C 0.517 2.312 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 10 . 1451 . 1 1 1 ACE CH3 C 0.743 0.854 0.166 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 10 . 1452 . 1 1 1 ACE H1 H 1.306 0.451 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 10 . 1453 . 1 1 1 ACE H2 H 1.306 0.700 1.087 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 10 . 1454 . 1 1 1 ACE H3 H -0.218 0.344 0.238 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 10 . 1455 . 1 1 1 ACE O O -0.566 2.852 -0.044 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 10 . 1456 . 1 1 2 ABA C C 0.889 4.823 -1.749 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 10 . 1457 . 1 1 2 ABA CA C 1.613 4.516 -0.455 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 10 . 1458 . 1 1 2 ABA H H 2.569 2.521 -0.219 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 10 . 1459 . 1 1 2 ABA N N 1.663 3.059 -0.236 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 10 . 1460 . 1 1 2 ABA O O 0.630 6.004 -1.976 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 10 . 1461 . 1 1 3 ASN C C -1.614 4.293 -3.616 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 10 . 1462 . 1 1 3 ASN CA C -0.118 4.097 -3.843 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 10 . 1463 . 1 1 3 ASN CB C 0.114 2.944 -4.821 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 10 . 1464 . 1 1 3 ASN CG C 1.581 2.754 -5.154 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 10 . 1465 . 1 1 3 ASN H H 0.803 2.917 -2.347 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 10 . 1466 . 1 1 3 ASN HA H 0.292 5.003 -4.265 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 10 . 1467 . 1 1 3 ASN HB2 H -0.257 2.029 -4.383 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1468 . 1 1 3 ASN HB3 H -0.422 3.143 -5.737 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 10 . 1469 . 1 1 3 ASN HD21 H 1.580 4.430 -6.224 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 10 . 1470 . 1 1 3 ASN HD22 H 3.086 3.586 -6.152 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 10 . 1471 . 1 1 3 ASN N N 0.570 3.839 -2.584 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 10 . 1472 . 1 1 3 ASN ND2 N 2.139 3.684 -5.921 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 10 . 1473 . 1 1 3 ASN O O -2.316 4.836 -4.469 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 10 . 1474 . 1 1 3 ASN OD1 O 2.205 1.783 -4.727 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1475 . 1 1 4 ILE C C -3.779 5.289 -1.393 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 10 . 1476 . 1 1 4 ILE CA C -3.505 3.977 -2.119 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 10 . 1477 . 1 1 4 ILE CB C -3.980 2.807 -1.237 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 10 . 1478 . 1 1 4 ILE CD1 C -4.326 1.253 -3.223 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1479 . 1 1 4 ILE CG1 C -3.634 1.470 -1.896 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 10 . 1480 . 1 1 4 ILE CG2 C -5.477 2.907 -0.985 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 10 . 1481 . 1 1 4 ILE H H -1.484 3.425 -1.820 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 10 . 1482 . 1 1 4 ILE HA H -4.072 3.961 -3.039 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 10 . 1483 . 1 1 4 ILE HB H -3.474 2.873 -0.286 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 10 . 1484 . 1 1 4 ILE HD11 H -5.003 2.072 -3.415 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 10 . 1485 . 1 1 4 ILE HD12 H -3.588 1.201 -4.010 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 10 . 1486 . 1 1 4 ILE HD13 H -4.883 0.327 -3.191 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 10 . 1487 . 1 1 4 ILE HG12 H -2.570 1.424 -2.066 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 10 . 1488 . 1 1 4 ILE HG13 H -3.923 0.666 -1.234 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 10 . 1489 . 1 1 4 ILE HG21 H -5.680 3.760 -0.354 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 10 . 1490 . 1 1 4 ILE HG22 H -5.993 3.026 -1.926 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 10 . 1491 . 1 1 4 ILE HG23 H -5.822 2.008 -0.497 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 10 . 1492 . 1 1 4 ILE N N -2.094 3.849 -2.459 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 10 . 1493 . 1 1 4 ILE O O -4.897 5.805 -1.422 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 10 . 1494 . 1 1 5 ILE C C -2.753 8.277 -0.948 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 10 . 1495 . 1 1 5 ILE CA C -2.880 7.080 -0.012 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 10 . 1496 . 1 1 5 ILE CB C -1.819 7.196 1.098 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 10 . 1497 . 1 1 5 ILE CD1 C -0.986 6.117 3.248 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1498 . 1 1 5 ILE CG1 C -1.988 6.066 2.115 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 10 . 1499 . 1 1 5 ILE CG2 C -1.915 8.551 1.782 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 10 . 1500 . 1 1 5 ILE H H -1.885 5.367 -0.757 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 10 . 1501 . 1 1 5 ILE HA H -3.857 7.098 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 10 . 1502 . 1 1 5 ILE HB H -0.843 7.117 0.642 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 10 . 1503 . 1 1 5 ILE HD11 H -0.559 5.136 3.395 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 10 . 1504 . 1 1 5 ILE HD12 H -0.203 6.819 3.005 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 10 . 1505 . 1 1 5 ILE HD13 H -1.484 6.432 4.154 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 10 . 1506 . 1 1 5 ILE HG12 H -2.976 6.121 2.545 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 10 . 1507 . 1 1 5 ILE HG13 H -1.872 5.117 1.611 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 10 . 1508 . 1 1 5 ILE HG21 H -1.179 8.608 2.572 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 10 . 1509 . 1 1 5 ILE HG22 H -1.728 9.332 1.061 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 10 . 1510 . 1 1 5 ILE HG23 H -2.902 8.674 2.201 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 10 . 1511 . 1 1 5 ILE N N -2.751 5.825 -0.744 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 10 . 1512 . 1 1 5 ILE O O -3.239 9.362 -0.721 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 10 . 1513 . 1 1 6 ABA C C -3.178 9.609 -3.636 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 10 . 1514 . 1 1 6 ABA CA C -1.840 9.140 -3.105 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 10 . 1515 . 1 1 6 ABA H H -1.644 7.098 -2.240 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 10 . 1516 . 1 1 6 ABA N N -2.037 8.068 -2.111 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 10 . 1517 . 1 1 6 ABA O O -3.484 10.788 -3.457 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 10 . 1518 . 1 1 7 PRO C C -6.308 9.434 -3.734 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 10 . 1519 . 1 1 7 PRO CA C -5.285 9.147 -4.828 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 10 . 1520 . 1 1 7 PRO CB C -5.709 7.929 -5.651 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 10 . 1521 . 1 1 7 PRO CD C -3.682 7.333 -4.533 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 10 . 1522 . 1 1 7 PRO CG C -4.991 6.782 -5.028 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 10 . 1523 . 1 1 7 PRO HA H -5.200 10.009 -5.474 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 10 . 1524 . 1 1 7 PRO HB2 H -6.782 7.805 -5.589 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1525 . 1 1 7 PRO HB3 H -5.416 8.066 -6.681 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 10 . 1526 . 1 1 7 PRO HD2 H -3.384 6.835 -3.622 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 10 . 1527 . 1 1 7 PRO HD3 H -2.919 7.228 -5.290 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 10 . 1528 . 1 1 7 PRO HG2 H -5.568 6.390 -4.205 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 10 . 1529 . 1 1 7 PRO HG3 H -4.818 6.013 -5.767 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 10 . 1530 . 1 1 7 PRO N N -3.982 8.753 -4.283 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 10 . 1531 . 1 1 7 PRO O O -7.355 10.030 -3.989 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 10 . 1532 . 1 1 8 LEU C C -7.158 10.703 -1.167 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 10 . 1533 . 1 1 8 LEU CA C -6.892 9.217 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 10 . 1534 . 1 1 8 LEU CB C -6.291 8.607 -0.113 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 10 . 1535 . 1 1 8 LEU CD1 C -6.444 7.041 1.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1536 . 1 1 8 LEU CD2 C -8.532 7.908 0.767 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 10 . 1537 . 1 1 8 LEU CG C -7.092 7.476 0.532 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 10 . 1538 . 1 1 8 LEU H H -5.151 8.537 -2.373 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 10 . 1539 . 1 1 8 LEU HA H -7.827 8.723 -1.599 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 10 . 1540 . 1 1 8 LEU HB2 H -5.315 8.220 -0.363 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1541 . 1 1 8 LEU HB3 H -6.187 9.398 0.616 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 10 . 1542 . 1 1 8 LEU HD11 H -5.937 7.882 2.286 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 10 . 1543 . 1 1 8 LEU HD12 H -5.732 6.253 1.642 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 10 . 1544 . 1 1 8 LEU HD13 H -7.205 6.678 2.513 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 10 . 1545 . 1 1 8 LEU HD21 H -9.148 7.562 -0.050 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 10 . 1546 . 1 1 8 LEU HD22 H -8.580 8.986 0.822 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 10 . 1547 . 1 1 8 LEU HD23 H -8.889 7.483 1.693 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 10 . 1548 . 1 1 8 LEU HG H -7.101 6.624 -0.134 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 10 . 1549 . 1 1 8 LEU N N -5.999 9.006 -2.515 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 10 . 1550 . 1 1 8 LEU O O -8.294 11.113 -0.923 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 10 . 1551 . 1 1 9 LEU C C -5.842 13.692 -2.357 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 10 . 1552 . 1 1 9 LEU CA C -6.225 12.950 -1.081 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 10 . 1553 . 1 1 9 LEU CB C -5.341 13.414 0.078 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 10 . 1554 . 1 1 9 LEU CD1 C -4.633 11.880 1.929 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1555 . 1 1 9 LEU CD2 C -5.864 13.991 2.460 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 10 . 1556 . 1 1 9 LEU CG C -5.697 12.859 1.457 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 10 . 1557 . 1 1 9 LEU H H -5.226 11.123 -1.458 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 10 . 1558 . 1 1 9 LEU HA H -7.256 13.170 -0.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 10 . 1559 . 1 1 9 LEU HB2 H -4.326 13.122 -0.144 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1560 . 1 1 9 LEU HB3 H -5.401 14.492 0.128 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 10 . 1561 . 1 1 9 LEU HD11 H -4.106 11.482 1.076 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 10 . 1562 . 1 1 9 LEU HD12 H -5.103 11.072 2.471 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 10 . 1563 . 1 1 9 LEU HD13 H -3.936 12.390 2.578 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 10 . 1564 . 1 1 9 LEU HD21 H -6.480 13.656 3.282 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 10 . 1565 . 1 1 9 LEU HD22 H -6.337 14.834 1.977 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 10 . 1566 . 1 1 9 LEU HD23 H -4.895 14.288 2.834 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 10 . 1567 . 1 1 9 LEU HG H -6.635 12.326 1.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 10 . 1568 . 1 1 9 LEU N N -6.105 11.507 -1.262 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 10 . 1569 . 1 1 9 LEU O O -5.478 14.846 -2.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 10 . 1570 . 1 1 10 ABA C C -6.525 14.725 -5.137 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 10 . 1571 . 1 1 10 ABA CA C -5.594 13.569 -4.838 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 10 . 1572 . 1 1 10 ABA H H -6.256 11.973 -3.434 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 10 . 1573 . 1 1 10 ABA N N -5.932 12.971 -3.533 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 10 . 1574 . 1 1 10 ABA O O -6.020 15.830 -5.332 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 10 . 1575 . 1 1 11 PRO C C -8.901 16.613 -4.346 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 10 . 1576 . 1 1 11 PRO CA C -8.802 15.601 -5.483 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 10 . 1577 . 1 1 11 PRO CB C -10.131 14.862 -5.657 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 10 . 1578 . 1 1 11 PRO CD C -8.522 13.234 -4.967 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 10 . 1579 . 1 1 11 PRO CG C -9.974 13.610 -4.865 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 10 . 1580 . 1 1 11 PRO HA H -8.550 16.114 -6.399 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 10 . 1581 . 1 1 11 PRO HB2 H -10.938 15.472 -5.278 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1582 . 1 1 11 PRO HB3 H -10.294 14.649 -6.703 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 10 . 1583 . 1 1 11 PRO HD2 H -8.185 12.777 -4.048 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 10 . 1584 . 1 1 11 PRO HD3 H -8.362 12.568 -5.802 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 10 . 1585 . 1 1 11 PRO HG2 H -10.244 13.790 -3.836 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 10 . 1586 . 1 1 11 PRO HG3 H -10.593 12.830 -5.285 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 10 . 1587 . 1 1 11 PRO N N -7.850 14.525 -5.190 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 10 . 1588 . 1 1 11 PRO O O -9.416 17.702 -4.458 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 10 . 1589 . 1 1 12 DCL C C -7.333 18.195 -2.117 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 10 . 1590 . 1 1 12 DCL CA C -8.373 17.091 -1.945 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 10 . 1591 . 1 1 12 DCL CB C -8.041 16.260 -0.697 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 10 . 1592 . 1 1 12 DCL CD1 C -10.288 16.494 0.366 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 10 . 1593 . 1 1 12 DCL CD2 C -8.876 14.534 0.955 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 10 . 1594 . 1 1 12 DCL CG C -9.263 15.493 -0.172 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 10 . 1595 . 1 1 12 DCL HA H -9.383 17.546 -1.823 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 10 . 1596 . 1 1 12 DCL HB1 H -7.243 15.531 -0.954 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 10 . 1597 . 1 1 12 DCL HB2 H -7.676 16.942 0.101 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 10 . 1598 . 1 1 12 DCL HC1 H -6.416 17.972 -1.529 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 10 . 1599 . 1 1 12 DCL HC2 H -7.064 18.327 -3.187 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 10 . 1600 . 1 1 12 DCL HD11 H -11.109 16.616 -0.373 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 10 . 1601 . 1 1 12 DCL HD12 H -10.704 16.118 1.325 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 10 . 1602 . 1 1 12 DCL HD13 H -9.794 17.476 0.535 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 10 . 1603 . 1 1 12 DCL HD21 H -7.843 14.161 0.786 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 10 . 1604 . 1 1 12 DCL HD22 H -8.923 15.068 1.928 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 10 . 1605 . 1 1 12 DCL HD23 H -9.581 13.675 0.968 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 10 . 1606 . 1 1 12 DCL HG H -9.693 14.901 -1.007 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 10 . 1607 . 1 1 12 DCL HN1 H -7.929 15.264 -3.124 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 10 . 1608 . 1 1 12 DCL HXT H -7.942 20.216 -2.271 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 10 . 1609 . 1 1 12 DCL N N -8.359 16.227 -3.137 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 10 . 1610 . 1 1 12 DCL OXT O -7.866 19.424 -1.646 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 11 . 1611 . 1 1 1 ACE C C 0.495 2.440 -0.080 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 11 . 1612 . 1 1 1 ACE CH3 C 0.785 0.989 0.091 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 11 . 1613 . 1 1 1 ACE H1 H 1.638 0.714 -0.530 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 11 . 1614 . 1 1 1 ACE H2 H 1.015 0.785 1.136 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 11 . 1615 . 1 1 1 ACE H3 H -0.086 0.406 -0.210 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 11 . 1616 . 1 1 1 ACE O O -0.613 2.928 -0.096 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 11 . 1617 . 1 1 2 ABA C C 0.785 5.014 -1.709 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 11 . 1618 . 1 1 2 ABA CA C 1.493 4.705 -0.407 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 11 . 1619 . 1 1 2 ABA H H 2.538 2.750 -0.203 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 11 . 1620 . 1 1 2 ABA N N 1.608 3.246 -0.227 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 11 . 1621 . 1 1 2 ABA O O 0.474 6.187 -1.908 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 11 . 1622 . 1 1 3 ASN C C -1.646 4.420 -3.649 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 11 . 1623 . 1 1 3 ASN CA C -0.138 4.304 -3.846 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 11 . 1624 . 1 1 3 ASN CB C 0.172 3.192 -4.851 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 11 . 1625 . 1 1 3 ASN CG C 1.569 3.308 -5.429 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 11 . 1626 . 1 1 3 ASN H H 0.805 3.124 -2.363 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 11 . 1627 . 1 1 3 ASN HA H 0.237 5.240 -4.232 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 11 . 1628 . 1 1 3 ASN HB2 H 0.086 2.235 -4.357 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1629 . 1 1 3 ASN HB3 H -0.539 3.239 -5.662 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 11 . 1630 . 1 1 3 ASN HD21 H 1.521 1.402 -5.993 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 11 . 1631 . 1 1 3 ASN HD22 H 2.973 2.260 -6.367 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 11 . 1632 . 1 1 3 ASN N N 0.533 4.041 -2.578 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 11 . 1633 . 1 1 3 ASN ND2 N 2.072 2.213 -5.986 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 11 . 1634 . 1 1 3 ASN O O -2.355 4.950 -4.506 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 11 . 1635 . 1 1 3 ASN OD1 O 2.189 4.371 -5.376 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1636 . 1 1 4 ILE C C -3.903 5.241 -1.435 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 11 . 1637 . 1 1 4 ILE CA C -3.553 3.973 -2.206 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 11 . 1638 . 1 1 4 ILE CB C -3.994 2.748 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 11 . 1639 . 1 1 4 ILE CD1 C -3.793 0.214 -1.258 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1640 . 1 1 4 ILE CG1 C -3.586 1.456 -2.095 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 11 . 1641 . 1 1 4 ILE CG2 C -5.497 2.779 -1.152 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 11 . 1642 . 1 1 4 ILE H H -1.515 3.514 -1.873 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 11 . 1643 . 1 1 4 ILE HA H -4.097 3.971 -3.140 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 11 . 1644 . 1 1 4 ILE HB H -3.504 2.791 -0.423 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 11 . 1645 . 1 1 4 ILE HD11 H -2.834 -0.212 -1.002 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 11 . 1646 . 1 1 4 ILE HD12 H -4.326 0.472 -0.355 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 11 . 1647 . 1 1 4 ILE HD13 H -4.368 -0.508 -1.820 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 11 . 1648 . 1 1 4 ILE HG12 H -4.169 1.349 -2.996 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 11 . 1649 . 1 1 4 ILE HG13 H -2.538 1.512 -2.354 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 11 . 1650 . 1 1 4 ILE HG21 H -5.701 3.162 -0.163 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 11 . 1651 . 1 1 4 ILE HG22 H -5.962 3.418 -1.887 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 11 . 1652 . 1 1 4 ILE HG23 H -5.896 1.780 -1.240 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 11 . 1653 . 1 1 4 ILE N N -2.130 3.923 -2.516 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 11 . 1654 . 1 1 4 ILE O O -5.046 5.700 -1.461 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 11 . 1655 . 1 1 5 ILE C C -2.951 8.262 -0.844 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 11 . 1656 . 1 1 5 ILE CA C -3.116 7.020 0.026 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 11 . 1657 . 1 1 5 ILE CB C -2.134 7.103 1.210 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 11 . 1658 . 1 1 5 ILE CD1 C -1.312 5.854 3.270 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1659 . 1 1 5 ILE CG1 C -2.289 5.880 2.115 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 11 . 1660 . 1 1 5 ILE CG2 C -2.362 8.384 1.998 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 11 . 1661 . 1 1 5 ILE H H -2.025 5.391 -0.769 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 11 . 1662 . 1 1 5 ILE HA H -4.122 7.001 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 11 . 1663 . 1 1 5 ILE HB H -1.130 7.125 0.815 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 11 . 1664 . 1 1 5 ILE HD11 H -0.698 4.968 3.203 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 11 . 1665 . 1 1 5 ILE HD12 H -0.684 6.732 3.230 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 11 . 1666 . 1 1 5 ILE HD13 H -1.857 5.845 4.203 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 11 . 1667 . 1 1 5 ILE HG12 H -3.286 5.867 2.526 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 11 . 1668 . 1 1 5 ILE HG13 H -2.134 4.985 1.529 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 11 . 1669 . 1 1 5 ILE HG21 H -1.511 9.038 1.875 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 11 . 1670 . 1 1 5 ILE HG22 H -3.249 8.878 1.633 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 11 . 1671 . 1 1 5 ILE HG23 H -2.485 8.147 3.044 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 11 . 1672 . 1 1 5 ILE N N -2.913 5.804 -0.750 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 11 . 1673 . 1 1 5 ILE O O -3.474 9.326 -0.604 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 11 . 1674 . 1 1 6 ABA C C -3.219 9.721 -3.477 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 11 . 1675 . 1 1 6 ABA CA C -1.909 9.240 -2.891 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 11 . 1676 . 1 1 6 ABA H H -1.729 7.165 -2.107 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 11 . 1677 . 1 1 6 ABA N N -2.151 8.120 -1.963 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 11 . 1678 . 1 1 6 ABA O O -3.549 10.888 -3.261 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 11 . 1679 . 1 1 7 PRO C C -6.335 9.522 -3.769 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 11 . 1680 . 1 1 7 PRO CA C -5.247 9.299 -4.813 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 11 . 1681 . 1 1 7 PRO CB C -5.607 8.117 -5.717 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 11 . 1682 . 1 1 7 PRO CD C -3.642 7.487 -4.511 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 11 . 1683 . 1 1 7 PRO CG C -4.913 6.949 -5.108 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 11 . 1684 . 1 1 7 PRO HA H -5.135 10.191 -5.411 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 11 . 1685 . 1 1 7 PRO HB2 H -6.680 7.981 -5.724 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1686 . 1 1 7 PRO HB3 H -5.256 8.307 -6.720 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 11 . 1687 . 1 1 7 PRO HD2 H -3.392 6.949 -3.608 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 11 . 1688 . 1 1 7 PRO HD3 H -2.834 7.426 -5.225 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 11 . 1689 . 1 1 7 PRO HG2 H -5.533 6.512 -4.340 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 11 . 1690 . 1 1 7 PRO HG3 H -4.688 6.218 -5.871 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 11 . 1691 . 1 1 7 PRO N N -3.974 8.890 -4.211 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 11 . 1692 . 1 1 7 PRO O O -7.374 10.119 -4.057 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 11 . 1693 . 1 1 8 LEU C C -7.349 10.661 -1.198 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 11 . 1694 . 1 1 8 LEU CA C -7.052 9.189 -1.466 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 11 . 1695 . 1 1 8 LEU CB C -6.519 8.525 -0.196 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 11 . 1696 . 1 1 8 LEU CD1 C -6.766 6.865 1.666 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1697 . 1 1 8 LEU CD2 C -8.798 7.761 0.516 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 11 . 1698 . 1 1 8 LEU CG C -7.341 7.356 0.347 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 11 . 1699 . 1 1 8 LEU H H -5.247 8.575 -2.385 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 11 . 1700 . 1 1 8 LEU HA H -7.967 8.698 -1.763 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 11 . 1701 . 1 1 8 LEU HB2 H -5.525 8.161 -0.405 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1702 . 1 1 8 LEU HB3 H -6.469 9.281 0.575 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 11 . 1703 . 1 1 8 LEU HD11 H -6.217 5.950 1.501 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 11 . 1704 . 1 1 8 LEU HD12 H -7.570 6.682 2.363 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 11 . 1705 . 1 1 8 LEU HD13 H -6.103 7.616 2.071 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 11 . 1706 . 1 1 8 LEU HD21 H -9.236 7.199 1.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 11 . 1707 . 1 1 8 LEU HD22 H -9.338 7.554 -0.397 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 11 . 1708 . 1 1 8 LEU HD23 H -8.855 8.817 0.737 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 11 . 1709 . 1 1 8 LEU HG H -7.301 6.538 -0.360 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 11 . 1710 . 1 1 8 LEU N N -6.092 9.041 -2.555 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 11 . 1711 . 1 1 8 LEU O O -8.502 11.047 -1.000 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 11 . 1712 . 1 1 9 LEU C C -6.006 13.716 -2.171 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 11 . 1713 . 1 1 9 LEU CA C -6.451 12.910 -0.955 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 11 . 1714 . 1 1 9 LEU CB C -5.638 13.328 0.272 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 11 . 1715 . 1 1 9 LEU CD1 C -3.465 14.575 0.339 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1716 . 1 1 9 LEU CD2 C -3.570 12.208 1.140 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 11 . 1717 . 1 1 9 LEU CG C -4.119 13.216 0.141 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 11 . 1718 . 1 1 9 LEU H H -5.409 11.114 -1.360 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 11 . 1719 . 1 1 9 LEU HA H -7.496 13.109 -0.769 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 11 . 1720 . 1 1 9 LEU HB2 H -5.877 14.357 0.492 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1721 . 1 1 9 LEU HB3 H -5.947 12.704 1.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 11 . 1722 . 1 1 9 LEU HD11 H -3.899 15.062 1.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 11 . 1723 . 1 1 9 LEU HD12 H -3.628 15.184 -0.539 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 11 . 1724 . 1 1 9 LEU HD13 H -2.404 14.445 0.494 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 11 . 1725 . 1 1 9 LEU HD21 H -3.332 12.712 2.066 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 11 . 1726 . 1 1 9 LEU HD22 H -2.676 11.754 0.738 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 11 . 1727 . 1 1 9 LEU HD23 H -4.311 11.445 1.326 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 11 . 1728 . 1 1 9 LEU HG H -3.874 12.870 -0.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 11 . 1729 . 1 1 9 LEU N N -6.302 11.479 -1.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 11 . 1730 . 1 1 9 LEU O O -5.655 14.873 -2.119 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 11 . 1731 . 1 1 10 ABA C C -6.551 14.868 -4.938 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 11 . 1732 . 1 1 10 ABA CA C -5.619 13.713 -4.637 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 11 . 1733 . 1 1 10 ABA H H -6.339 12.046 -3.350 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 11 . 1734 . 1 1 10 ABA N N -6.022 13.051 -3.382 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 11 . 1735 . 1 1 10 ABA O O -6.055 15.989 -5.052 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 11 . 1736 . 1 1 11 PRO C C -9.003 16.680 -4.205 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 11 . 1737 . 1 1 11 PRO CA C -8.819 15.725 -5.379 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 11 . 1738 . 1 1 11 PRO CB C -10.121 14.974 -5.667 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 11 . 1739 . 1 1 11 PRO CD C -8.527 13.340 -4.957 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 11 . 1740 . 1 1 11 PRO CG C -9.990 13.689 -4.926 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 11 . 1741 . 1 1 11 PRO HA H -8.522 16.285 -6.254 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 11 . 1742 . 1 1 11 PRO HB2 H -10.960 15.554 -5.309 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1743 . 1 1 11 PRO HB3 H -10.218 14.809 -6.730 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 11 . 1744 . 1 1 11 PRO HD2 H -8.238 12.846 -4.042 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 11 . 1745 . 1 1 11 PRO HD3 H -8.306 12.717 -5.811 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 11 . 1746 . 1 1 11 PRO HG2 H -10.323 13.817 -3.907 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 11 . 1747 . 1 1 11 PRO HG3 H -10.568 12.921 -5.418 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 11 . 1748 . 1 1 11 PRO N N -7.867 14.651 -5.079 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 11 . 1749 . 1 1 11 PRO O O -9.532 17.765 -4.297 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 11 . 1750 . 1 1 12 DCL C C -7.659 18.232 -1.855 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 11 . 1751 . 1 1 12 DCL CA C -8.626 17.054 -1.758 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 11 . 1752 . 1 1 12 DCL CB C -8.267 16.192 -0.538 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 11 . 1753 . 1 1 12 DCL CD1 C -10.533 16.269 0.507 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 11 . 1754 . 1 1 12 DCL CD2 C -9.031 14.356 1.027 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 11 . 1755 . 1 1 12 DCL CG C -9.454 15.344 -0.061 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 11 . 1756 . 1 1 12 DCL HA H -9.667 17.434 -1.642 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 11 . 1757 . 1 1 12 DCL HB1 H -7.429 15.515 -0.812 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 11 . 1758 . 1 1 12 DCL HB2 H -7.947 16.859 0.290 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 11 . 1759 . 1 1 12 DCL HC1 H -6.634 17.931 -1.548 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 11 . 1760 . 1 1 12 DCL HC2 H -7.631 18.641 -2.888 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 11 . 1761 . 1 1 12 DCL HD11 H -11.147 16.676 -0.325 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 11 . 1762 . 1 1 12 DCL HD12 H -11.183 15.695 1.202 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 11 . 1763 . 1 1 12 DCL HD13 H -10.050 17.107 1.055 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 11 . 1764 . 1 1 12 DCL HD21 H -9.270 13.321 0.702 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 11 . 1765 . 1 1 12 DCL HD22 H -7.937 14.445 1.203 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 11 . 1766 . 1 1 12 DCL HD23 H -9.578 14.584 1.967 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 11 . 1767 . 1 1 12 DCL HG H -9.846 14.768 -0.926 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 11 . 1768 . 1 1 12 DCL HN1 H -8.079 15.292 -2.991 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 11 . 1769 . 1 1 12 DCL HXT H -8.307 20.184 -1.357 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 11 . 1770 . 1 1 12 DCL N N -8.525 16.247 -2.985 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 11 . 1771 . 1 1 12 DCL OXT O -8.089 19.268 -0.985 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 12 . 1772 . 1 1 1 ACE C C -0.124 1.898 -0.153 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 12 . 1773 . 1 1 1 ACE CH3 C -0.215 0.411 -0.121 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 12 . 1774 . 1 1 1 ACE H1 H -1.209 0.115 0.215 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 12 . 1775 . 1 1 1 ACE H2 H -0.037 0.015 -1.121 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 12 . 1776 . 1 1 1 ACE H3 H 0.533 0.016 0.565 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 12 . 1777 . 1 1 1 ACE O O -1.068 2.648 -0.256 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 12 . 1778 . 1 1 2 ABA C C 0.928 4.461 -1.370 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 12 . 1779 . 1 1 2 ABA CA C 1.419 3.858 -0.071 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 12 . 1780 . 1 1 2 ABA H H 1.928 1.694 0.032 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 12 . 1781 . 1 1 2 ABA N N 1.157 2.407 -0.055 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 12 . 1782 . 1 1 2 ABA O O 0.859 5.688 -1.424 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 12 . 1783 . 1 1 3 ASN C C -1.343 4.594 -3.578 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 12 . 1784 . 1 1 3 ASN CA C 0.134 4.218 -3.658 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 12 . 1785 . 1 1 3 ASN CB C 0.353 3.206 -4.784 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 12 . 1786 . 1 1 3 ASN CG C 1.784 3.202 -5.288 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 12 . 1787 . 1 1 3 ASN H H 0.677 2.701 -2.286 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 12 . 1788 . 1 1 3 ASN HA H 0.709 5.107 -3.869 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 12 . 1789 . 1 1 3 ASN HB2 H 0.117 2.216 -4.421 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1790 . 1 1 3 ASN HB3 H -0.299 3.447 -5.610 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 12 . 1791 . 1 1 3 ASN HD21 H 2.211 1.639 -4.136 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 12 . 1792 . 1 1 3 ASN HD22 H 3.513 2.241 -5.098 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 12 . 1793 . 1 1 3 ASN N N 0.601 3.672 -2.389 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 12 . 1794 . 1 1 3 ASN ND2 N 2.583 2.266 -4.791 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 12 . 1795 . 1 1 3 ASN O O -1.840 5.375 -4.389 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 12 . 1796 . 1 1 3 ASN OD1 O 2.165 4.031 -6.115 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1797 . 1 1 4 ILE C C -3.666 5.631 -1.675 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 12 . 1798 . 1 1 4 ILE CA C -3.456 4.310 -2.407 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 12 . 1799 . 1 1 4 ILE CB C -4.151 3.184 -1.618 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 12 . 1800 . 1 1 4 ILE CD1 C -3.170 0.849 -1.361 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1801 . 1 1 4 ILE CG1 C -3.875 1.829 -2.273 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 12 . 1802 . 1 1 4 ILE CG2 C -5.647 3.443 -1.533 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 12 . 1803 . 1 1 4 ILE H H -1.585 3.418 -1.979 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 12 . 1804 . 1 1 4 ILE HA H -3.915 4.374 -3.383 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 12 . 1805 . 1 1 4 ILE HB H -3.753 3.179 -0.615 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 12 . 1806 . 1 1 4 ILE HD11 H -3.024 1.301 -0.391 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 12 . 1807 . 1 1 4 ILE HD12 H -3.769 -0.043 -1.257 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 12 . 1808 . 1 1 4 ILE HD13 H -2.210 0.591 -1.784 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 12 . 1809 . 1 1 4 ILE HG12 H -4.811 1.385 -2.575 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 12 . 1810 . 1 1 4 ILE HG13 H -3.254 1.978 -3.144 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 12 . 1811 . 1 1 4 ILE HG21 H -5.881 3.894 -0.580 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 12 . 1812 . 1 1 4 ILE HG22 H -5.943 4.110 -2.328 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 12 . 1813 . 1 1 4 ILE HG23 H -6.180 2.509 -1.629 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 12 . 1814 . 1 1 4 ILE N N -2.038 4.033 -2.594 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 12 . 1815 . 1 1 4 ILE O O -4.673 6.310 -1.875 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 12 . 1816 . 1 1 5 ILE C C -2.696 8.446 -0.989 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 12 . 1817 . 1 1 5 ILE CA C -2.786 7.233 -0.069 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 12 . 1818 . 1 1 5 ILE CB C -1.668 7.319 0.987 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 12 . 1819 . 1 1 5 ILE CD1 C -3.045 6.386 2.913 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1820 . 1 1 5 ILE CG1 C -1.832 6.209 2.027 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 12 . 1821 . 1 1 5 ILE CG2 C -1.675 8.685 1.656 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 12 . 1822 . 1 1 5 ILE H H -1.929 5.408 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 12 . 1823 . 1 1 5 ILE HA H -3.738 7.251 0.442 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 12 . 1824 . 1 1 5 ILE HB H -0.720 7.196 0.486 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 12 . 1825 . 1 1 5 ILE HD11 H -3.709 7.117 2.474 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 12 . 1826 . 1 1 5 ILE HD12 H -3.560 5.443 3.012 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 12 . 1827 . 1 1 5 ILE HD13 H -2.731 6.728 3.889 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 12 . 1828 . 1 1 5 ILE HG12 H -1.927 5.261 1.521 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 12 . 1829 . 1 1 5 ILE HG13 H -0.957 6.188 2.661 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 12 . 1830 . 1 1 5 ILE HG21 H -2.690 9.049 1.721 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 12 . 1831 . 1 1 5 ILE HG22 H -1.260 8.601 2.649 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 12 . 1832 . 1 1 5 ILE HG23 H -1.082 9.375 1.074 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 12 . 1833 . 1 1 5 ILE N N -2.707 5.991 -0.828 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 12 . 1834 . 1 1 5 ILE O O -3.170 9.527 -0.724 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 12 . 1835 . 1 1 6 ABA C C -3.226 9.798 -3.663 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 12 . 1836 . 1 1 6 ABA CA C -1.869 9.345 -3.165 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 12 . 1837 . 1 1 6 ABA H H -1.641 7.289 -2.345 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 12 . 1838 . 1 1 6 ABA N N -2.028 8.257 -2.183 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 12 . 1839 . 1 1 6 ABA O O -3.552 10.966 -3.452 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 12 . 1840 . 1 1 7 PRO C C -6.353 9.560 -3.709 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 12 . 1841 . 1 1 7 PRO CA C -5.344 9.319 -4.827 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 12 . 1842 . 1 1 7 PRO CB C -5.759 8.110 -5.670 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 12 . 1843 . 1 1 7 PRO CD C -3.700 7.532 -4.601 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 12 . 1844 . 1 1 7 PRO CG C -5.006 6.965 -5.085 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 12 . 1845 . 1 1 7 PRO HA H -5.289 10.196 -5.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 12 . 1846 . 1 1 7 PRO HB2 H -6.827 7.963 -5.592 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1847 . 1 1 7 PRO HB3 H -5.487 8.275 -6.701 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 12 . 1848 . 1 1 7 PRO HD2 H -3.375 7.021 -3.707 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 12 . 1849 . 1 1 7 PRO HD3 H -2.948 7.460 -5.373 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 12 . 1850 . 1 1 7 PRO HG2 H -5.561 6.543 -4.261 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 12 . 1851 . 1 1 7 PRO HG3 H -4.831 6.216 -5.843 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 12 . 1852 . 1 1 7 PRO N N -4.024 8.939 -4.315 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 12 . 1853 . 1 1 7 PRO O O -7.415 10.143 -3.933 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 12 . 1854 . 1 1 8 LEU C C -7.195 10.751 -1.108 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 12 . 1855 . 1 1 8 LEU CA C -6.892 9.276 -1.353 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 12 . 1856 . 1 1 8 LEU CB C -6.250 8.663 -0.107 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 12 . 1857 . 1 1 8 LEU CD1 C -6.328 7.067 1.825 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1858 . 1 1 8 LEU CD2 C -8.456 7.896 0.805 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 12 . 1859 . 1 1 8 LEU CG C -7.011 7.503 0.538 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 12 . 1860 . 1 1 8 LEU H H -5.156 8.652 -2.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 12 . 1861 . 1 1 8 LEU HA H -7.817 8.761 -1.562 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 12 . 1862 . 1 1 8 LEU HB2 H -5.271 8.303 -0.382 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1863 . 1 1 8 LEU HB3 H -6.150 9.445 0.632 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 12 . 1864 . 1 1 8 LEU HD11 H -7.024 6.504 2.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 12 . 1865 . 1 1 8 LEU HD12 H -6.000 7.939 2.371 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 12 . 1866 . 1 1 8 LEU HD13 H -5.474 6.449 1.588 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 12 . 1867 . 1 1 8 LEU HD21 H -9.106 7.352 0.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 12 . 1868 . 1 1 8 LEU HD22 H -8.577 8.957 0.640 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 12 . 1869 . 1 1 8 LEU HD23 H -8.710 7.660 1.828 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 12 . 1870 . 1 1 8 LEU HG H -7.012 6.661 -0.140 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 12 . 1871 . 1 1 8 LEU N N -6.015 9.109 -2.507 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 12 . 1872 . 1 1 8 LEU O O -8.341 11.128 -0.861 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 12 . 1873 . 1 1 9 LEU C C -5.948 13.795 -2.230 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 12 . 1874 . 1 1 9 LEU CA C -6.316 13.017 -0.971 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 12 . 1875 . 1 1 9 LEU CB C -5.446 13.478 0.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 12 . 1876 . 1 1 9 LEU CD1 C -3.649 15.202 -0.089 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1877 . 1 1 9 LEU CD2 C -3.086 12.960 0.868 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 12 . 1878 . 1 1 9 LEU CG C -3.969 13.715 -0.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 12 . 1879 . 1 1 9 LEU H H -5.272 11.223 -1.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 12 . 1880 . 1 1 9 LEU HA H -7.353 13.207 -0.735 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 12 . 1881 . 1 1 9 LEU HB2 H -5.857 14.403 0.573 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1882 . 1 1 9 LEU HB3 H -5.504 12.723 0.971 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 12 . 1883 . 1 1 9 LEU HD11 H -4.531 15.764 -0.354 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 12 . 1884 . 1 1 9 LEU HD12 H -2.861 15.413 -0.796 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 12 . 1885 . 1 1 9 LEU HD13 H -3.327 15.483 0.904 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 12 . 1886 . 1 1 9 LEU HD21 H -2.124 13.448 0.935 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 12 . 1887 . 1 1 9 LEU HD22 H -2.951 11.945 0.524 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 12 . 1888 . 1 1 9 LEU HD23 H -3.555 12.953 1.840 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 12 . 1889 . 1 1 9 LEU HG H -3.755 13.346 -1.109 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 12 . 1890 . 1 1 9 LEU N N -6.161 11.582 -1.182 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 12 . 1891 . 1 1 9 LEU O O -5.592 14.952 -2.226 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 12 . 1892 . 1 1 10 ABA C C -6.661 14.895 -4.977 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 12 . 1893 . 1 1 10 ABA CA C -5.719 13.738 -4.715 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 12 . 1894 . 1 1 10 ABA H H -6.360 12.102 -3.349 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 12 . 1895 . 1 1 10 ABA N N -6.043 13.105 -3.424 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 12 . 1896 . 1 1 10 ABA O O -6.163 16.004 -5.176 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 12 . 1897 . 1 1 11 PRO C C -9.016 16.771 -4.101 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 12 . 1898 . 1 1 11 PRO CA C -8.948 15.770 -5.249 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 12 . 1899 . 1 1 11 PRO CB C -10.280 15.030 -5.393 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 12 . 1900 . 1 1 11 PRO CD C -8.649 13.399 -4.764 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 12 . 1901 . 1 1 11 PRO CG C -10.099 13.770 -4.618 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 12 . 1902 . 1 1 11 PRO HA H -8.724 16.293 -6.167 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 12 . 1903 . 1 1 11 PRO HB2 H -11.077 15.635 -4.985 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1904 . 1 1 11 PRO HB3 H -10.472 14.827 -6.436 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 12 . 1905 . 1 1 11 PRO HD2 H -8.286 12.934 -3.860 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 12 . 1906 . 1 1 11 PRO HD3 H -8.512 12.741 -5.610 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 12 . 1907 . 1 1 11 PRO HG2 H -10.339 13.941 -3.579 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 12 . 1908 . 1 1 11 PRO HG3 H -10.728 12.994 -5.028 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 12 . 1909 . 1 1 11 PRO N N -7.987 14.694 -4.994 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 12 . 1910 . 1 1 11 PRO O O -8.995 17.971 -4.252 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 12 . 1911 . 1 1 12 DCL C C -7.763 17.439 -1.182 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 12 . 1912 . 1 1 12 DCL CA C -9.179 17.070 -1.620 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 12 . 1913 . 1 1 12 DCL CB C -9.879 16.294 -0.495 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 12 . 1914 . 1 1 12 DCL CD1 C -10.083 13.809 -0.368 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 12 . 1915 . 1 1 12 DCL CD2 C -8.684 14.990 1.315 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 12 . 1916 . 1 1 12 DCL CG C -9.142 14.994 -0.145 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 12 . 1917 . 1 1 12 DCL HA H -9.755 17.999 -1.836 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 12 . 1918 . 1 1 12 DCL HB1 H -9.924 16.937 0.411 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 12 . 1919 . 1 1 12 DCL HB2 H -10.912 16.043 -0.822 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 12 . 1920 . 1 1 12 DCL HC1 H -7.135 16.529 -1.062 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 12 . 1921 . 1 1 12 DCL HC2 H -7.285 18.124 -1.915 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 12 . 1922 . 1 1 12 DCL HD11 H -9.646 12.896 0.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 12 . 1923 . 1 1 12 DCL HD12 H -11.067 14.025 0.102 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 12 . 1924 . 1 1 12 DCL HD13 H -10.220 13.646 -1.459 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 12 . 1925 . 1 1 12 DCL HD21 H -7.920 15.782 1.466 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 12 . 1926 . 1 1 12 DCL HD22 H -9.556 15.186 1.977 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 12 . 1927 . 1 1 12 DCL HD23 H -8.245 14.000 1.563 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 12 . 1928 . 1 1 12 DCL HG H -8.245 14.912 -0.795 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 12 . 1929 . 1 1 12 DCL HN1 H -9.119 15.184 -2.786 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 12 . 1930 . 1 1 12 DCL HXT H -7.448 19.043 0.161 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 12 . 1931 . 1 1 12 DCL N N -9.106 16.237 -2.831 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 12 . 1932 . 1 1 12 DCL OXT O -7.814 18.103 0.071 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 13 . 1933 . 1 1 1 ACE C C -0.039 1.599 -0.065 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 13 . 1934 . 1 1 1 ACE CH3 C -0.049 0.114 -0.175 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 13 . 1935 . 1 1 1 ACE H1 H 0.097 -0.325 0.812 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 13 . 1936 . 1 1 1 ACE H2 H -1.006 -0.214 -0.581 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 13 . 1937 . 1 1 1 ACE H3 H 0.755 -0.207 -0.838 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 13 . 1938 . 1 1 1 ACE O O -1.022 2.304 -0.102 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 13 . 1939 . 1 1 2 ABA C C 0.944 4.313 -1.058 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 13 . 1940 . 1 1 2 ABA CA C 1.396 3.623 0.212 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 13 . 1941 . 1 1 2 ABA H H 2.022 1.489 0.112 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 13 . 1942 . 1 1 2 ABA N N 1.213 2.165 0.089 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 13 . 1943 . 1 1 2 ABA O O 0.882 5.541 -1.033 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 13 . 1944 . 1 1 3 ASN C C -1.257 4.629 -3.303 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 13 . 1945 . 1 1 3 ASN CA C 0.212 4.226 -3.378 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 13 . 1946 . 1 1 3 ASN CB C 0.433 3.278 -4.558 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 13 . 1947 . 1 1 3 ASN CG C 1.577 3.722 -5.449 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 13 . 1948 . 1 1 3 ASN H H 0.710 2.618 -2.094 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 13 . 1949 . 1 1 3 ASN HA H 0.810 5.113 -3.523 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 13 . 1950 . 1 1 3 ASN HB2 H 0.658 2.291 -4.182 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 1951 . 1 1 3 ASN HB3 H -0.467 3.236 -5.153 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 13 . 1952 . 1 1 3 ASN HD21 H 2.220 1.845 -5.600 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 13 . 1953 . 1 1 3 ASN HD22 H 3.145 3.027 -6.455 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 13 . 1954 . 1 1 3 ASN N N 0.642 3.595 -2.135 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 13 . 1955 . 1 1 3 ASN ND2 N 2.397 2.768 -5.878 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 13 . 1956 . 1 1 3 ASN O O -1.721 5.468 -4.076 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 13 . 1957 . 1 1 3 ASN OD1 O 1.723 4.907 -5.748 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 13 . 1958 . 1 1 4 ILE C C -3.598 5.673 -1.511 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 13 . 1959 . 1 1 4 ILE CA C -3.400 4.323 -2.192 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 13 . 1960 . 1 1 4 ILE CB C -4.105 3.234 -1.362 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 13 . 1961 . 1 1 4 ILE CD1 C -4.330 1.705 -3.385 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 13 . 1962 . 1 1 4 ILE CG1 C -3.837 1.852 -1.962 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 13 . 1963 . 1 1 4 ILE CG2 C -5.600 3.506 -1.292 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 13 . 1964 . 1 1 4 ILE H H -1.558 3.366 -1.784 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 13 . 1965 . 1 1 4 ILE HA H -3.858 4.355 -3.170 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 13 . 1966 . 1 1 4 ILE HB H -3.710 3.265 -0.359 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 13 . 1967 . 1 1 4 ILE HD11 H -3.981 0.767 -3.792 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 13 . 1968 . 1 1 4 ILE HD12 H -5.409 1.725 -3.397 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 13 . 1969 . 1 1 4 ILE HD13 H -3.949 2.520 -3.983 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 13 . 1970 . 1 1 4 ILE HG12 H -2.775 1.664 -1.959 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 13 . 1971 . 1 1 4 ILE HG13 H -4.333 1.104 -1.360 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 13 . 1972 . 1 1 4 ILE HG21 H -6.077 2.743 -0.696 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 13 . 1973 . 1 1 4 ILE HG22 H -5.768 4.472 -0.840 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 13 . 1974 . 1 1 4 ILE HG23 H -6.015 3.497 -2.288 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 13 . 1975 . 1 1 4 ILE N N -1.984 4.026 -2.369 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 13 . 1976 . 1 1 4 ILE O O -4.622 6.330 -1.698 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 13 . 1977 . 1 1 5 ILE C C -2.645 8.527 -0.991 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 13 . 1978 . 1 1 5 ILE CA C -2.673 7.355 -0.016 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 13 . 1979 . 1 1 5 ILE CB C -1.510 7.504 0.982 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 13 . 1980 . 1 1 5 ILE CD1 C -2.744 6.763 3.082 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 13 . 1981 . 1 1 5 ILE CG1 C -1.632 6.466 2.100 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 13 . 1982 . 1 1 5 ILE CG2 C -1.484 8.911 1.560 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 13 . 1983 . 1 1 5 ILE H H -1.818 5.514 -0.614 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 13 . 1984 . 1 1 5 ILE HA H -3.601 7.383 0.537 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 13 . 1985 . 1 1 5 ILE HB H -0.585 7.342 0.450 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 13 . 1986 . 1 1 5 ILE HD11 H -3.240 5.843 3.354 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 13 . 1987 . 1 1 5 ILE HD12 H -2.331 7.226 3.965 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 13 . 1988 . 1 1 5 ILE HD13 H -3.457 7.434 2.625 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 13 . 1989 . 1 1 5 ILE HG12 H -1.825 5.498 1.665 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 13 . 1990 . 1 1 5 ILE HG13 H -0.703 6.430 2.650 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 13 . 1991 . 1 1 5 ILE HG21 H -1.095 9.596 0.821 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 13 . 1992 . 1 1 5 ILE HG22 H -2.487 9.207 1.831 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 13 . 1993 . 1 1 5 ILE HG23 H -0.853 8.930 2.435 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 13 . 1994 . 1 1 5 ILE N N -2.609 6.082 -0.722 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 13 . 1995 . 1 1 5 ILE O O -3.123 9.612 -0.752 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 13 . 1996 . 1 1 6 ABA C C -3.320 9.738 -3.707 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 13 . 1997 . 1 1 6 ABA CA C -1.935 9.339 -3.242 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 13 . 1998 . 1 1 6 ABA H H -1.637 7.325 -2.343 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 13 . 1999 . 1 1 6 ABA N N -2.030 8.294 -2.206 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 13 . 2000 . 1 1 6 ABA O O -3.666 10.907 -3.538 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 13 . 2001 . 1 1 7 PRO C C -6.439 9.428 -3.624 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 13 . 2002 . 1 1 7 PRO CA C -5.467 9.158 -4.767 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 13 . 2003 . 1 1 7 PRO CB C -5.883 7.902 -5.537 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 13 . 2004 . 1 1 7 PRO CD C -3.773 7.420 -4.522 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 13 . 2005 . 1 1 7 PRO CG C -5.082 6.802 -4.930 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 13 . 2006 . 1 1 7 PRO HA H -5.456 10.005 -5.437 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 13 . 2007 . 1 1 7 PRO HB2 H -6.944 7.735 -5.412 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 2008 . 1 1 7 PRO HB3 H -5.654 8.025 -6.585 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 13 . 2009 . 1 1 7 PRO HD2 H -3.404 6.959 -3.618 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 13 . 2010 . 1 1 7 PRO HD3 H -3.049 7.329 -5.318 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 13 . 2011 . 1 1 7 PRO HG2 H -5.595 6.408 -4.066 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 13 . 2012 . 1 1 7 PRO HG3 H -4.917 6.023 -5.659 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 13 . 2013 . 1 1 7 PRO N N -4.121 8.832 -4.288 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 13 . 2014 . 1 1 7 PRO O O -7.524 9.973 -3.834 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 13 . 2015 . 1 1 8 LEU C C -7.192 10.727 -1.037 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 13 . 2016 . 1 1 8 LEU CA C -6.882 9.247 -1.237 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 13 . 2017 . 1 1 8 LEU CB C -6.190 8.686 0.006 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 13 . 2018 . 1 1 8 LEU CD1 C -6.174 7.152 1.988 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 13 . 2019 . 1 1 8 LEU CD2 C -8.350 7.913 1.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 13 . 2020 . 1 1 8 LEU CG C -6.907 7.535 0.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 13 . 2021 . 1 1 8 LEU H H -5.170 8.616 -2.311 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 13 . 2022 . 1 1 8 LEU HA H -7.808 8.715 -1.394 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 13 . 2023 . 1 1 8 LEU HB2 H -5.213 8.336 -0.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 2024 . 1 1 8 LEU HB3 H -6.081 9.495 0.716 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 13 . 2025 . 1 1 8 LEU HD11 H -5.794 8.042 2.466 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 13 . 2026 . 1 1 8 LEU HD12 H -5.353 6.494 1.748 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 13 . 2027 . 1 1 8 LEU HD13 H -6.856 6.646 2.657 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 13 . 2028 . 1 1 8 LEU HD21 H -8.772 7.194 1.703 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 13 . 2029 . 1 1 8 LEU HD22 H -8.922 7.914 0.100 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 13 . 2030 . 1 1 8 LEU HD23 H -8.379 8.896 1.461 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 13 . 2031 . 1 1 8 LEU HG H -6.917 6.672 0.061 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 13 . 2032 . 1 1 8 LEU N N -6.045 9.045 -2.415 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 13 . 2033 . 1 1 8 LEU O O -8.347 11.110 -0.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 13 . 2034 . 1 1 9 LEU C C -5.894 13.746 -2.173 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 13 . 2035 . 1 1 9 LEU CA C -6.317 12.995 -0.914 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 13 . 2036 . 1 1 9 LEU CB C -5.496 13.480 0.282 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 13 . 2037 . 1 1 9 LEU CD1 C -3.704 15.214 0.029 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 13 . 2038 . 1 1 9 LEU CD2 C -3.159 12.999 1.055 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 13 . 2039 . 1 1 9 LEU CG C -4.009 13.725 0.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 13 . 2040 . 1 1 9 LEU H H -5.259 11.192 -1.245 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 13 . 2041 . 1 1 9 LEU HA H -7.362 13.191 -0.726 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 13 . 2042 . 1 1 9 LEU HB2 H -5.928 14.407 0.626 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 2043 . 1 1 9 LEU HB3 H -5.578 12.736 1.062 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 13 . 2044 . 1 1 9 LEU HD11 H -4.582 15.763 -0.278 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 13 . 2045 . 1 1 9 LEU HD12 H -2.894 15.419 -0.656 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 13 . 2046 . 1 1 9 LEU HD13 H -3.418 15.518 1.025 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 13 . 2047 . 1 1 9 LEU HD21 H -2.240 12.668 0.595 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 13 . 2048 . 1 1 9 LEU HD22 H -3.702 12.144 1.431 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 13 . 2049 . 1 1 9 LEU HD23 H -2.934 13.670 1.870 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 13 . 2050 . 1 1 9 LEU HG H -3.753 13.337 -0.955 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 13 . 2051 . 1 1 9 LEU N N -6.155 11.556 -1.087 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 13 . 2052 . 1 1 9 LEU O O -5.548 14.905 -2.179 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 13 . 2053 . 1 1 10 ABA C C -6.477 14.778 -4.972 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 13 . 2054 . 1 1 10 ABA CA C -5.546 13.631 -4.642 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 13 . 2055 . 1 1 10 ABA H H -6.238 12.022 -3.268 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 13 . 2056 . 1 1 10 ABA N N -5.926 13.026 -3.352 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 13 . 2057 . 1 1 10 ABA O O -5.976 15.888 -5.153 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 13 . 2058 . 1 1 11 PRO C C -8.895 16.645 -4.261 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 13 . 2059 . 1 1 11 PRO CA C -8.750 15.633 -5.393 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 13 . 2060 . 1 1 11 PRO CB C -10.065 14.881 -5.609 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 13 . 2061 . 1 1 11 PRO CD C -8.465 13.269 -4.865 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 13 . 2062 . 1 1 11 PRO CG C -9.923 13.631 -4.811 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 13 . 2063 . 1 1 11 PRO HA H -8.473 16.148 -6.301 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 13 . 2064 . 1 1 11 PRO HB2 H -10.890 15.484 -5.257 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 2065 . 1 1 11 PRO HB3 H -10.192 14.666 -6.659 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 13 . 2066 . 1 1 11 PRO HD2 H -8.153 12.817 -3.935 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 13 . 2067 . 1 1 11 PRO HD3 H -8.272 12.604 -5.693 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 13 . 2068 . 1 1 11 PRO HG2 H -10.227 13.811 -3.791 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 13 . 2069 . 1 1 11 PRO HG3 H -10.520 12.846 -5.250 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 13 . 2070 . 1 1 11 PRO N N -7.798 14.566 -5.068 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 13 . 2071 . 1 1 11 PRO O O -8.877 17.844 -4.425 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 13 . 2072 . 1 1 12 DCL C C -7.820 17.279 -1.227 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 13 . 2073 . 1 1 12 DCL CA C -9.203 16.969 -1.797 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 13 . 2074 . 1 1 12 DCL CB C -10.042 16.232 -0.742 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 13 . 2075 . 1 1 12 DCL CD1 C -10.491 13.853 -0.136 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 13 . 2076 . 1 1 12 DCL CD2 C -8.640 15.058 1.007 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 13 . 2077 . 1 1 12 DCL CG C -9.396 14.908 -0.314 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 13 . 2078 . 1 1 12 DCL HA H -9.715 17.920 -2.071 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 13 . 2079 . 1 1 12 DCL HB1 H -10.148 16.886 0.151 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 13 . 2080 . 1 1 12 DCL HB2 H -11.047 16.021 -1.167 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 13 . 2081 . 1 1 12 DCL HC1 H -7.307 16.348 -0.902 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 13 . 2082 . 1 1 12 DCL HC2 H -7.190 17.806 -1.975 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 13 . 2083 . 1 1 12 DCL HD11 H -10.758 13.426 -1.126 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 13 . 2084 . 1 1 12 DCL HD12 H -10.120 13.044 0.530 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 13 . 2085 . 1 1 12 DCL HD13 H -11.389 14.325 0.318 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 13 . 2086 . 1 1 12 DCL HD21 H -8.148 16.054 1.041 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 13 . 2087 . 1 1 12 DCL HD22 H -9.354 14.969 1.855 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 13 . 2088 . 1 1 12 DCL HD23 H -7.869 14.262 1.085 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 13 . 2089 . 1 1 12 DCL HG H -8.675 14.597 -1.099 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 13 . 2090 . 1 1 12 DCL HN1 H -9.057 15.071 -2.937 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 13 . 2091 . 1 1 12 DCL HXT H -7.509 19.032 -0.084 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 13 . 2092 . 1 1 12 DCL N N -9.052 16.124 -2.993 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 13 . 2093 . 1 1 12 DCL OXT O -7.955 18.123 -0.095 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 14 . 2094 . 1 1 1 ACE C C 0.136 1.938 -0.089 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 14 . 2095 . 1 1 1 ACE CH3 C 0.141 0.448 -0.110 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 14 . 2096 . 1 1 1 ACE H1 H 1.157 0.090 -0.276 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 14 . 2097 . 1 1 1 ACE H2 H -0.226 0.070 0.844 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 14 . 2098 . 1 1 1 ACE H3 H -0.504 0.094 -0.914 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 14 . 2099 . 1 1 1 ACE O O -0.854 2.629 -0.167 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 14 . 2100 . 1 1 2 ABA C C 1.065 4.600 -1.233 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 14 . 2101 . 1 1 2 ABA CA C 1.551 3.989 0.064 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 14 . 2102 . 1 1 2 ABA H H 2.198 1.859 0.091 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 14 . 2103 . 1 1 2 ABA N N 1.382 2.525 0.029 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 14 . 2104 . 1 1 2 ABA O O 0.947 5.824 -1.262 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 14 . 2105 . 1 1 3 ASN C C -1.157 4.691 -3.491 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 14 . 2106 . 1 1 3 ASN CA C 0.335 4.376 -3.545 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 14 . 2107 . 1 1 3 ASN CB C 0.621 3.398 -4.686 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 14 . 2108 . 1 1 3 ASN CG C -0.415 2.293 -4.774 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 14 . 2109 . 1 1 3 ASN H H 0.909 2.852 -2.192 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 14 . 2110 . 1 1 3 ASN HA H 0.878 5.291 -3.723 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 14 . 2111 . 1 1 3 ASN HB2 H 0.623 3.937 -5.622 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2112 . 1 1 3 ASN HB3 H 1.589 2.947 -4.532 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 14 . 2113 . 1 1 3 ASN HD21 H 0.553 1.242 -3.391 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 14 . 2114 . 1 1 3 ASN HD22 H -0.884 0.516 -4.017 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 14 . 2115 . 1 1 3 ASN N N 0.796 3.822 -2.276 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 14 . 2116 . 1 1 3 ASN ND2 N -0.230 1.245 -3.980 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 14 . 2117 . 1 1 3 ASN O O -1.667 5.466 -4.300 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 14 . 2118 . 1 1 3 ASN OD1 O -1.370 2.382 -5.546 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2119 . 1 1 4 ILE C C -3.561 5.610 -1.640 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 14 . 2120 . 1 1 4 ILE CA C -3.282 4.302 -2.372 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 14 . 2121 . 1 1 4 ILE CB C -3.944 3.144 -1.603 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 14 . 2122 . 1 1 4 ILE CD1 C -4.112 1.686 -3.683 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2123 . 1 1 4 ILE CG1 C -3.606 1.805 -2.262 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 14 . 2124 . 1 1 4 ILE CG2 C -5.451 3.343 -1.539 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 14 . 2125 . 1 1 4 ILE H H -1.386 3.478 -1.918 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 14 . 2126 . 1 1 4 ILE HA H -3.723 4.352 -3.357 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 14 . 2127 . 1 1 4 ILE HB H -3.562 3.147 -0.593 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 14 . 2128 . 1 1 4 ILE HD11 H -5.174 1.879 -3.704 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 14 . 2129 . 1 1 4 ILE HD12 H -3.602 2.403 -4.308 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 14 . 2130 . 1 1 4 ILE HD13 H -3.921 0.688 -4.050 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 14 . 2131 . 1 1 4 ILE HG12 H -2.535 1.680 -2.280 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 14 . 2132 . 1 1 4 ILE HG13 H -4.047 1.006 -1.684 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 14 . 2133 . 1 1 4 ILE HG21 H -5.942 2.381 -1.538 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 14 . 2134 . 1 1 4 ILE HG22 H -5.705 3.877 -0.636 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 14 . 2135 . 1 1 4 ILE HG23 H -5.776 3.912 -2.397 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 14 . 2136 . 1 1 4 ILE N N -1.850 4.085 -2.532 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 14 . 2137 . 1 1 4 ILE O O -4.590 6.249 -1.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 14 . 2138 . 1 1 5 ILE C C -2.689 8.458 -0.913 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 14 . 2139 . 1 1 5 ILE CA C -2.783 7.236 -0.006 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 14 . 2140 . 1 1 5 ILE CB C -1.714 7.345 1.097 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 14 . 2141 . 1 1 5 ILE CD1 C -0.927 6.314 3.287 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2142 . 1 1 5 ILE CG1 C -1.917 6.250 2.146 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 14 . 2143 . 1 1 5 ILE CG2 C -1.760 8.721 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 14 . 2144 . 1 1 5 ILE H H -1.839 5.450 -0.637 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 14 . 2145 . 1 1 5 ILE HA H -3.756 7.224 0.464 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 14 . 2146 . 1 1 5 ILE HB H -0.744 7.221 0.640 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 14 . 2147 . 1 1 5 ILE HD11 H -1.393 6.778 4.143 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 14 . 2148 . 1 1 5 ILE HD12 H -0.609 5.315 3.546 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 14 . 2149 . 1 1 5 ILE HD13 H -0.069 6.898 2.986 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 14 . 2150 . 1 1 5 ILE HG12 H -2.908 6.338 2.562 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 14 . 2151 . 1 1 5 ILE HG13 H -1.816 5.284 1.671 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 14 . 2152 . 1 1 5 ILE HG21 H -2.750 8.902 2.135 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 14 . 2153 . 1 1 5 ILE HG22 H -1.043 8.763 2.551 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 14 . 2154 . 1 1 5 ILE HG23 H -1.519 9.474 1.009 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 14 . 2155 . 1 1 5 ILE N N -2.638 6.002 -0.769 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 14 . 2156 . 1 1 5 ILE O O -3.195 9.526 -0.657 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 14 . 2157 . 1 1 6 ABA C C -3.159 9.831 -3.581 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 14 . 2158 . 1 1 6 ABA CA C -1.809 9.392 -3.054 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 14 . 2159 . 1 1 6 ABA H H -1.564 7.335 -2.241 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 14 . 2160 . 1 1 6 ABA N N -1.976 8.293 -2.086 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 14 . 2161 . 1 1 6 ABA O O -3.504 10.994 -3.372 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 14 . 2162 . 1 1 7 PRO C C -6.281 9.556 -3.703 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 14 . 2163 . 1 1 7 PRO CA C -5.243 9.333 -4.798 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 14 . 2164 . 1 1 7 PRO CB C -5.623 8.124 -5.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 14 . 2165 . 1 1 7 PRO CD C -3.583 7.565 -4.542 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 14 . 2166 . 1 1 7 PRO CG C -4.870 6.985 -5.060 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 14 . 2167 . 1 1 7 PRO HA H -5.183 10.214 -5.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 14 . 2168 . 1 1 7 PRO HB2 H -6.690 7.964 -5.605 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2169 . 1 1 7 PRO HB3 H -5.329 8.299 -6.680 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 14 . 2170 . 1 1 7 PRO HD2 H -3.273 7.053 -3.643 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 14 . 2171 . 1 1 7 PRO HD3 H -2.812 7.506 -5.297 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 14 . 2172 . 1 1 7 PRO HG2 H -5.439 6.552 -4.252 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 14 . 2173 . 1 1 7 PRO HG3 H -4.668 6.242 -5.818 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 14 . 2174 . 1 1 7 PRO N N -3.931 8.967 -4.256 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 14 . 2175 . 1 1 7 PRO O O -7.345 10.126 -3.948 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 14 . 2176 . 1 1 8 LEU C C -7.200 10.723 -1.119 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 14 . 2177 . 1 1 8 LEU CA C -6.870 9.254 -1.361 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 14 . 2178 . 1 1 8 LEU CB C -6.249 8.645 -0.102 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 14 . 2179 . 1 1 8 LEU CD1 C -6.349 7.042 1.822 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2180 . 1 1 8 LEU CD2 C -8.465 7.845 0.756 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 14 . 2181 . 1 1 8 LEU CG C -7.008 7.473 0.521 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 14 . 2182 . 1 1 8 LEU H H -5.103 8.658 -2.360 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 14 . 2183 . 1 1 8 LEU HA H -7.783 8.726 -1.593 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 14 . 2184 . 1 1 8 LEU HB2 H -5.259 8.300 -0.356 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2185 . 1 1 8 LEU HB3 H -6.177 9.426 0.641 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 14 . 2186 . 1 1 8 LEU HD11 H -7.038 6.437 2.391 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 14 . 2187 . 1 1 8 LEU HD12 H -6.080 7.917 2.396 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 14 . 2188 . 1 1 8 LEU HD13 H -5.461 6.468 1.603 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 14 . 2189 . 1 1 8 LEU HD21 H -9.018 7.730 -0.164 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 14 . 2190 . 1 1 8 LEU HD22 H -8.525 8.872 1.086 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 14 . 2191 . 1 1 8 LEU HD23 H -8.884 7.198 1.512 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 14 . 2192 . 1 1 8 LEU HG H -6.982 6.633 -0.159 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 14 . 2193 . 1 1 8 LEU N N -5.965 9.103 -2.494 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 14 . 2194 . 1 1 8 LEU O O -8.358 11.083 -0.899 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 14 . 2195 . 1 1 9 LEU C C -5.969 13.790 -2.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 14 . 2196 . 1 1 9 LEU CA C -6.358 13.001 -0.950 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 14 . 2197 . 1 1 9 LEU CB C -5.525 13.469 0.244 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 14 . 2198 . 1 1 9 LEU CD1 C -3.743 15.217 0.007 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2199 . 1 1 9 LEU CD2 C -3.176 12.980 0.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 14 . 2200 . 1 1 9 LEU CG C -4.043 13.726 -0.031 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 14 . 2201 . 1 1 9 LEU H H -5.278 11.224 -1.341 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 14 . 2202 . 1 1 9 LEU HA H -7.403 13.175 -0.740 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 14 . 2203 . 1 1 9 LEU HB2 H -5.957 14.388 0.609 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2204 . 1 1 9 LEU HB3 H -5.593 12.711 1.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 14 . 2205 . 1 1 9 LEU HD11 H -3.448 15.499 1.006 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 14 . 2206 . 1 1 9 LEU HD12 H -4.627 15.768 -0.276 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 14 . 2207 . 1 1 9 LEU HD13 H -2.943 15.441 -0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 14 . 2208 . 1 1 9 LEU HD21 H -3.269 11.917 0.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 14 . 2209 . 1 1 9 LEU HD22 H -3.501 13.219 1.976 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 14 . 2210 . 1 1 9 LEU HD23 H -2.145 13.276 0.849 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 14 . 2211 . 1 1 9 LEU HG H -3.798 13.362 -1.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 14 . 2212 . 1 1 9 LEU N N -6.177 11.569 -1.162 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 14 . 2213 . 1 1 9 LEU O O -5.630 14.951 -2.178 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 14 . 2214 . 1 1 10 ABA C C -6.625 14.892 -4.955 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 14 . 2215 . 1 1 10 ABA CA C -5.675 13.746 -4.675 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 14 . 2216 . 1 1 10 ABA H H -6.326 12.095 -3.332 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 14 . 2217 . 1 1 10 ABA N N -6.022 13.103 -3.394 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 14 . 2218 . 1 1 10 ABA O O -6.137 16.007 -5.137 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 14 . 2219 . 1 1 11 PRO C C -9.027 16.732 -4.131 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 14 . 2220 . 1 1 11 PRO CA C -8.916 15.737 -5.282 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 14 . 2221 . 1 1 11 PRO CB C -10.233 14.980 -5.463 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 14 . 2222 . 1 1 11 PRO CD C -8.598 13.368 -4.800 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 14 . 2223 . 1 1 11 PRO CG C -10.056 13.720 -4.689 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 14 . 2224 . 1 1 11 PRO HA H -8.675 16.267 -6.192 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 14 . 2225 . 1 1 11 PRO HB2 H -11.049 15.573 -5.073 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2226 . 1 1 11 PRO HB3 H -10.396 14.779 -6.511 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 14 . 2227 . 1 1 11 PRO HD2 H -8.251 12.904 -3.888 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 14 . 2228 . 1 1 11 PRO HD3 H -8.430 12.716 -5.645 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 14 . 2229 . 1 1 11 PRO HG2 H -10.325 13.882 -3.656 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 14 . 2230 . 1 1 11 PRO HG3 H -10.663 12.937 -5.118 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 14 . 2231 . 1 1 11 PRO N N -7.947 14.672 -5.007 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 14 . 2232 . 1 1 11 PRO O O -9.017 17.933 -4.277 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 14 . 2233 . 1 1 12 DCL C C -7.858 17.407 -1.182 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 14 . 2234 . 1 1 12 DCL CA C -9.257 17.017 -1.654 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 14 . 2235 . 1 1 12 DCL CB C -9.971 16.224 -0.550 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 14 . 2236 . 1 1 12 DCL CD1 C -10.102 13.732 -0.586 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 14 . 2237 . 1 1 12 DCL CD2 C -8.922 14.848 1.297 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 14 . 2238 . 1 1 12 DCL CG C -9.229 14.927 -0.199 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 14 . 2239 . 1 1 12 DCL HA H -9.844 17.937 -1.880 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 14 . 2240 . 1 1 12 DCL HB1 H -10.037 16.858 0.361 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 14 . 2241 . 1 1 12 DCL HB2 H -10.995 15.969 -0.897 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 14 . 2242 . 1 1 12 DCL HC1 H -7.644 16.981 -0.178 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 14 . 2243 . 1 1 12 DCL HC2 H -7.085 17.064 -1.902 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 14 . 2244 . 1 1 12 DCL HD11 H -9.885 12.879 0.092 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 14 . 2245 . 1 1 12 DCL HD12 H -11.174 14.013 -0.496 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 14 . 2246 . 1 1 12 DCL HD13 H -9.882 13.436 -1.635 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 14 . 2247 . 1 1 12 DCL HD21 H -8.679 13.799 1.571 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 14 . 2248 . 1 1 12 DCL HD22 H -8.055 15.502 1.532 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 14 . 2249 . 1 1 12 DCL HD23 H -9.809 15.184 1.876 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 14 . 2250 . 1 1 12 DCL HG H -8.269 14.909 -0.757 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 14 . 2251 . 1 1 12 DCL HN1 H -9.143 15.138 -2.827 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 14 . 2252 . 1 1 12 DCL HXT H -7.080 19.324 -1.630 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 14 . 2253 . 1 1 12 DCL N N -9.143 16.191 -2.867 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 14 . 2254 . 1 1 12 DCL OXT O -7.770 18.821 -1.085 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 15 . 2255 . 1 1 1 ACE C C 0.508 2.396 -0.057 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 15 . 2256 . 1 1 1 ACE CH3 C 0.718 0.937 0.164 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 15 . 2257 . 1 1 1 ACE H1 H 1.406 0.551 -0.589 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 15 . 2258 . 1 1 1 ACE H2 H 1.138 0.777 1.156 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 15 . 2259 . 1 1 1 ACE H3 H -0.237 0.417 0.084 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 15 . 2260 . 1 1 1 ACE O O -0.567 2.951 -0.044 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 15 . 2261 . 1 1 2 ABA C C 0.877 4.878 -1.808 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 15 . 2262 . 1 1 2 ABA CA C 1.625 4.578 -0.526 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 15 . 2263 . 1 1 2 ABA H H 2.559 2.572 -0.285 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 15 . 2264 . 1 1 2 ABA N N 1.660 3.123 -0.289 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 15 . 2265 . 1 1 2 ABA O O 0.630 6.060 -2.045 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 15 . 2266 . 1 1 3 ASN C C -1.674 4.361 -3.611 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 15 . 2267 . 1 1 3 ASN CA C -0.187 4.140 -3.869 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 15 . 2268 . 1 1 3 ASN CB C 0.007 2.970 -4.837 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 15 . 2269 . 1 1 3 ASN CG C 1.469 2.707 -5.140 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 15 . 2270 . 1 1 3 ASN H H 0.751 2.966 -2.378 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 15 . 2271 . 1 1 3 ASN HA H 0.226 5.034 -4.312 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 15 . 2272 . 1 1 3 ASN HB2 H -0.417 2.077 -4.401 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2273 . 1 1 3 ASN HB3 H -0.501 3.190 -5.764 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 15 . 2274 . 1 1 3 ASN HD21 H 0.981 1.120 -6.235 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 15 . 2275 . 1 1 3 ASN HD22 H 2.670 1.464 -6.122 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 15 . 2276 . 1 1 3 ASN N N 0.526 3.888 -2.622 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 15 . 2277 . 1 1 3 ASN ND2 N 1.733 1.658 -5.910 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 15 . 2278 . 1 1 3 ASN O O -2.387 4.902 -4.456 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 15 . 2279 . 1 1 3 ASN OD1 O 2.350 3.438 -4.688 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2280 . 1 1 4 ILE C C -3.774 5.417 -1.354 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 15 . 2281 . 1 1 4 ILE CA C -3.536 4.091 -2.069 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 15 . 2282 . 1 1 4 ILE CB C -4.008 2.940 -1.161 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 15 . 2283 . 1 1 4 ILE CD1 C -4.316 1.336 -3.113 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2284 . 1 1 4 ILE CG1 C -3.644 1.590 -1.782 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 15 . 2285 . 1 1 4 ILE CG2 C -5.508 3.033 -0.924 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 15 . 2286 . 1 1 4 ILE H H -1.517 3.514 -1.807 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 15 . 2287 . 1 1 4 ILE HA H -4.124 4.072 -2.975 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 15 . 2288 . 1 1 4 ILE HB H -3.510 3.036 -0.208 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 15 . 2289 . 1 1 4 ILE HD11 H -4.959 2.169 -3.356 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 15 . 2290 . 1 1 4 ILE HD12 H -3.565 1.224 -3.881 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 15 . 2291 . 1 1 4 ILE HD13 H -4.905 0.432 -3.052 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 15 . 2292 . 1 1 4 ILE HG12 H -2.577 1.547 -1.936 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 15 . 2293 . 1 1 4 ILE HG13 H -3.937 0.800 -1.105 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 15 . 2294 . 1 1 4 ILE HG21 H -5.693 3.545 0.009 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 15 . 2295 . 1 1 4 ILE HG22 H -5.966 3.582 -1.732 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 15 . 2296 . 1 1 4 ILE HG23 H -5.927 2.039 -0.879 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 15 . 2297 . 1 1 4 ILE N N -2.134 3.938 -2.438 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 15 . 2298 . 1 1 4 ILE O O -4.885 5.949 -1.366 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 15 . 2299 . 1 1 5 ILE C C -2.697 8.395 -0.973 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 15 . 2300 . 1 1 5 ILE CA C -2.819 7.212 -0.018 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 15 . 2301 . 1 1 5 ILE CB C -1.732 7.327 1.067 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 15 . 2302 . 1 1 5 ILE CD1 C -0.867 6.265 3.212 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2303 . 1 1 5 ILE CG1 C -1.895 6.213 2.103 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 15 . 2304 . 1 1 5 ILE CG2 C -1.793 8.693 1.735 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 15 . 2305 . 1 1 5 ILE H H -1.866 5.475 -0.762 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 15 . 2306 . 1 1 5 ILE HA H -3.786 7.251 0.463 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 15 . 2307 . 1 1 5 ILE HB H -0.768 7.229 0.591 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 15 . 2308 . 1 1 5 ILE HD11 H -0.006 6.825 2.879 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 15 . 2309 . 1 1 5 ILE HD12 H -1.297 6.743 4.079 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 15 . 2310 . 1 1 5 ILE HD13 H -0.564 5.260 3.468 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 15 . 2311 . 1 1 5 ILE HG12 H -2.872 6.288 2.553 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 15 . 2312 . 1 1 5 ILE HG13 H -1.803 5.257 1.609 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 15 . 2313 . 1 1 5 ILE HG21 H -1.612 9.462 0.999 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 15 . 2314 . 1 1 5 ILE HG22 H -2.771 8.836 2.171 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 15 . 2315 . 1 1 5 ILE HG23 H -1.042 8.750 2.508 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 15 . 2316 . 1 1 5 ILE N N -2.725 5.947 -0.735 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 15 . 2317 . 1 1 5 ILE O O -3.161 9.490 -0.750 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 15 . 2318 . 1 1 6 ABA C C -3.162 9.698 -3.668 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 15 . 2319 . 1 1 6 ABA CA C -1.819 9.217 -3.160 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 15 . 2320 . 1 1 6 ABA H H -1.634 7.184 -2.273 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 15 . 2321 . 1 1 6 ABA N N -2.010 8.161 -2.149 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 15 . 2322 . 1 1 6 ABA O O -3.447 10.883 -3.498 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 15 . 2323 . 1 1 7 PRO C C -6.295 9.567 -3.695 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 15 . 2324 . 1 1 7 PRO CA C -5.301 9.251 -4.807 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 15 . 2325 . 1 1 7 PRO CB C -5.761 8.028 -5.604 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 15 . 2326 . 1 1 7 PRO CD C -3.719 7.418 -4.524 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 15 . 2327 . 1 1 7 PRO CG C -5.046 6.879 -4.982 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 15 . 2328 . 1 1 7 PRO HA H -5.219 10.103 -5.467 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 15 . 2329 . 1 1 7 PRO HB2 H -6.834 7.921 -5.517 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2330 . 1 1 7 PRO HB3 H -5.489 8.147 -6.642 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 15 . 2331 . 1 1 7 PRO HD2 H -3.407 6.928 -3.613 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 15 . 2332 . 1 1 7 PRO HD3 H -2.973 7.292 -5.295 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 15 . 2333 . 1 1 7 PRO HG2 H -5.610 6.507 -4.141 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 15 . 2334 . 1 1 7 PRO HG3 H -4.900 6.098 -5.714 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 15 . 2335 . 1 1 7 PRO N N -3.993 8.845 -4.286 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 15 . 2336 . 1 1 7 PRO O O -7.339 10.175 -3.935 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 15 . 2337 . 1 1 8 LEU C C -7.083 10.881 -1.136 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 15 . 2338 . 1 1 8 LEU CA C -6.830 9.389 -1.326 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 15 . 2339 . 1 1 8 LEU CB C -6.202 8.802 -0.061 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 15 . 2340 . 1 1 8 LEU CD1 C -6.320 7.282 1.928 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2341 . 1 1 8 LEU CD2 C -8.426 8.142 0.888 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 15 . 2342 . 1 1 8 LEU CG C -6.996 7.692 0.629 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 15 . 2343 . 1 1 8 LEU H H -5.121 8.671 -2.348 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 15 . 2344 . 1 1 8 LEU HA H -7.773 8.897 -1.513 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 15 . 2345 . 1 1 8 LEU HB2 H -5.236 8.401 -0.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2346 . 1 1 8 LEU HB3 H -6.072 9.608 0.647 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 15 . 2347 . 1 1 8 LEU HD11 H -5.349 7.749 1.992 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 15 . 2348 . 1 1 8 LEU HD12 H -6.206 6.208 1.951 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 15 . 2349 . 1 1 8 LEU HD13 H -6.927 7.597 2.765 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 15 . 2350 . 1 1 8 LEU HD21 H -9.075 7.734 0.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 15 . 2351 . 1 1 8 LEU HD22 H -8.475 9.222 0.861 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 15 . 2352 . 1 1 8 LEU HD23 H -8.743 7.792 1.859 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 15 . 2353 . 1 1 8 LEU HG H -7.029 6.826 -0.017 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 15 . 2354 . 1 1 8 LEU N N -5.966 9.150 -2.477 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 15 . 2355 . 1 1 8 LEU O O -8.216 11.305 -0.902 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 15 . 2356 . 1 1 9 LEU C C -5.740 13.840 -2.371 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 15 . 2357 . 1 1 9 LEU CA C -6.130 13.121 -1.083 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 15 . 2358 . 1 1 9 LEU CB C -5.242 13.595 0.068 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 15 . 2359 . 1 1 9 LEU CD1 C -4.195 13.206 2.312 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2360 . 1 1 9 LEU CD2 C -6.612 12.671 1.954 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 15 . 2361 . 1 1 9 LEU CG C -5.231 12.710 1.316 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 15 . 2362 . 1 1 9 LEU H H -5.146 11.279 -1.430 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 15 . 2363 . 1 1 9 LEU HA H -7.159 13.353 -0.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 15 . 2364 . 1 1 9 LEU HB2 H -4.230 13.660 -0.300 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2365 . 1 1 9 LEU HB3 H -5.581 14.579 0.362 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 15 . 2366 . 1 1 9 LEU HD11 H -4.615 14.007 2.901 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 15 . 2367 . 1 1 9 LEU HD12 H -3.327 13.567 1.780 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 15 . 2368 . 1 1 9 LEU HD13 H -3.904 12.394 2.963 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 15 . 2369 . 1 1 9 LEU HD21 H -6.671 11.831 2.631 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 15 . 2370 . 1 1 9 LEU HD22 H -7.362 12.567 1.184 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 15 . 2371 . 1 1 9 LEU HD23 H -6.781 13.587 2.501 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 15 . 2372 . 1 1 9 LEU HG H -4.965 11.702 1.031 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 15 . 2373 . 1 1 9 LEU N N -6.023 11.674 -1.241 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 15 . 2374 . 1 1 9 LEU O O -5.346 14.983 -2.409 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 15 . 2375 . 1 1 10 ABA C C -6.423 14.858 -5.156 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 15 . 2376 . 1 1 10 ABA CA C -5.517 13.683 -4.852 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 15 . 2377 . 1 1 10 ABA H H -6.208 12.120 -3.426 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 15 . 2378 . 1 1 10 ABA N N -5.859 13.109 -3.538 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 15 . 2379 . 1 1 10 ABA O O -5.891 15.943 -5.395 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 15 . 2380 . 1 1 11 PRO C C -8.720 16.836 -4.352 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 15 . 2381 . 1 1 11 PRO CA C -8.682 15.793 -5.463 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 15 . 2382 . 1 1 11 PRO CB C -10.036 15.088 -5.581 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 15 . 2383 . 1 1 11 PRO CD C -8.456 13.432 -4.892 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 15 . 2384 . 1 1 11 PRO CG C -9.894 13.853 -4.760 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 15 . 2385 . 1 1 11 PRO HA H -8.442 16.274 -6.399 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 15 . 2386 . 1 1 11 PRO HB2 H -10.814 15.732 -5.196 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2387 . 1 1 11 PRO HB3 H -10.235 14.854 -6.616 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 15 . 2388 . 1 1 11 PRO HD2 H -8.107 12.990 -3.971 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 15 . 2389 . 1 1 11 PRO HD3 H -8.339 12.740 -5.713 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 15 . 2390 . 1 1 11 PRO HG2 H -10.129 14.069 -3.729 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 15 . 2391 . 1 1 11 PRO HG3 H -10.546 13.082 -5.142 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 15 . 2392 . 1 1 11 PRO N N -7.754 14.697 -5.167 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 15 . 2393 . 1 1 11 PRO O O -8.660 18.029 -4.547 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 15 . 2394 . 1 1 12 DCL C C -7.448 17.576 -1.462 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 15 . 2395 . 1 1 12 DCL CA C -8.875 17.231 -1.884 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 15 . 2396 . 1 1 12 DCL CB C -9.593 16.514 -0.730 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 15 . 2397 . 1 1 12 DCL CD1 C -9.834 14.031 -0.662 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 15 . 2398 . 1 1 12 DCL CD2 C -8.558 15.167 1.145 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 15 . 2399 . 1 1 12 DCL CG C -8.900 15.200 -0.345 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 15 . 2400 . 1 1 12 DCL HA H -9.427 18.165 -2.133 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 15 . 2401 . 1 1 12 DCL HB1 H -9.607 17.186 0.155 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 15 . 2402 . 1 1 12 DCL HB2 H -10.637 16.292 -1.042 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 15 . 2403 . 1 1 12 DCL HC1 H -7.227 17.180 -0.447 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 15 . 2404 . 1 1 12 DCL HC2 H -6.709 17.171 -2.186 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 15 . 2405 . 1 1 12 DCL HD11 H -9.580 13.167 -0.011 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 15 . 2406 . 1 1 12 DCL HD12 H -10.887 14.338 -0.477 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 15 . 2407 . 1 1 12 DCL HD13 H -9.714 13.740 -1.728 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 15 . 2408 . 1 1 12 DCL HD21 H -9.160 15.932 1.681 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 15 . 2409 . 1 1 12 DCL HD22 H -8.790 14.160 1.555 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 15 . 2410 . 1 1 12 DCL HD23 H -7.477 15.384 1.282 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 15 . 2411 . 1 1 12 DCL HG H -7.956 15.117 -0.925 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 15 . 2412 . 1 1 12 DCL HN1 H -8.874 15.302 -2.981 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 15 . 2413 . 1 1 12 DCL HXT H -6.600 19.437 -2.005 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 15 . 2414 . 1 1 12 DCL N N -8.828 16.352 -3.064 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 15 . 2415 . 1 1 12 DCL OXT O -7.296 18.987 -1.424 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 16 . 2416 . 1 1 1 ACE C C 1.494 1.775 0.899 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 16 . 2417 . 1 1 1 ACE CH3 C 1.032 0.359 0.857 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 16 . 2418 . 1 1 1 ACE H1 H 1.862 -0.285 0.568 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 16 . 2419 . 1 1 1 ACE H2 H 0.669 0.066 1.842 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 16 . 2420 . 1 1 1 ACE H3 H 0.226 0.262 0.129 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 16 . 2421 . 1 1 1 ACE O O 2.156 2.262 1.788 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 16 . 2422 . 1 1 2 ABA C C 0.945 4.551 -1.580 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 16 . 2423 . 1 1 2 ABA CA C 1.486 3.969 -0.291 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 16 . 2424 . 1 1 2 ABA H H 0.536 2.056 -0.915 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 16 . 2425 . 1 1 2 ABA N N 1.111 2.548 -0.181 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 16 . 2426 . 1 1 2 ABA O O 0.717 5.760 -1.592 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 16 . 2427 . 1 1 3 ASN C C -1.244 4.654 -3.773 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 16 . 2428 . 1 1 3 ASN CA C 0.234 4.294 -3.893 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 16 . 2429 . 1 1 3 ASN CB C 0.431 3.272 -5.015 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 16 . 2430 . 1 1 3 ASN CG C 1.861 2.772 -5.097 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 16 . 2431 . 1 1 3 ASN H H 0.945 2.809 -2.562 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 16 . 2432 . 1 1 3 ASN HA H 0.792 5.187 -4.129 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 16 . 2433 . 1 1 3 ASN HB2 H -0.217 2.425 -4.841 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2434 . 1 1 3 ASN HB3 H 0.174 3.728 -5.959 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 16 . 2435 . 1 1 3 ASN HD21 H 1.323 1.033 -4.297 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 16 . 2436 . 1 1 3 ASN HD22 H 2.998 1.194 -4.690 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 16 . 2437 . 1 1 3 ASN N N 0.745 3.766 -2.633 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 16 . 2438 . 1 1 3 ASN ND2 N 2.083 1.542 -4.649 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 16 . 2439 . 1 1 3 ASN O O -1.773 5.424 -4.575 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 16 . 2440 . 1 1 3 ASN OD1 O 2.754 3.484 -5.557 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2441 . 1 1 4 ILE C C -3.522 5.679 -1.808 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 16 . 2442 . 1 1 4 ILE CA C -3.320 4.356 -2.539 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 16 . 2443 . 1 1 4 ILE CB C -3.980 3.227 -1.727 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 16 . 2444 . 1 1 4 ILE CD1 C -4.216 0.697 -1.565 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2445 . 1 1 4 ILE CG1 C -3.631 1.864 -2.330 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 16 . 2446 . 1 1 4 ILE CG2 C -5.488 3.421 -1.678 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 16 . 2447 . 1 1 4 ILE H H -1.428 3.488 -2.160 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 16 . 2448 . 1 1 4 ILE HA H -3.806 4.411 -3.502 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 16 . 2449 . 1 1 4 ILE HB H -3.602 3.272 -0.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 16 . 2450 . 1 1 4 ILE HD11 H -4.524 1.028 -0.584 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 16 . 2451 . 1 1 4 ILE HD12 H -5.069 0.307 -2.099 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 16 . 2452 . 1 1 4 ILE HD13 H -3.469 -0.077 -1.464 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 16 . 2453 . 1 1 4 ILE HG12 H -4.006 1.818 -3.340 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 16 . 2454 . 1 1 4 ILE HG13 H -2.557 1.749 -2.343 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 16 . 2455 . 1 1 4 ILE HG21 H -5.806 3.509 -0.650 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 16 . 2456 . 1 1 4 ILE HG22 H -5.752 4.320 -2.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 16 . 2457 . 1 1 4 ILE HG23 H -5.975 2.572 -2.135 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 16 . 2458 . 1 1 4 ILE N N -1.904 4.093 -2.766 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 16 . 2459 . 1 1 4 ILE O O -4.554 6.333 -1.963 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 16 . 2460 . 1 1 5 ILE C C -2.565 8.520 -1.191 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 16 . 2461 . 1 1 5 ILE CA C -2.600 7.313 -0.260 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 16 . 2462 . 1 1 5 ILE CB C -1.443 7.425 0.751 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 16 . 2463 . 1 1 5 ILE CD1 C -2.734 6.720 2.828 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2464 . 1 1 5 ILE CG1 C -1.612 6.393 1.868 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 16 . 2465 . 1 1 5 ILE CG2 C -1.377 8.831 1.327 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 16 . 2466 . 1 1 5 ILE H H -1.735 5.502 -0.931 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 16 . 2467 . 1 1 5 ILE HA H -3.532 7.320 0.288 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 16 . 2468 . 1 1 5 ILE HB H -0.519 7.231 0.228 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 16 . 2469 . 1 1 5 ILE HD11 H -3.084 5.812 3.297 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 16 . 2470 . 1 1 5 ILE HD12 H -2.374 7.401 3.585 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 16 . 2471 . 1 1 5 ILE HD13 H -3.547 7.182 2.287 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 16 . 2472 . 1 1 5 ILE HG12 H -1.820 5.429 1.431 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 16 . 2473 . 1 1 5 ILE HG13 H -0.694 6.336 2.436 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 16 . 2474 . 1 1 5 ILE HG21 H -1.003 9.511 0.575 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 16 . 2475 . 1 1 5 ILE HG22 H -2.365 9.142 1.632 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 16 . 2476 . 1 1 5 ILE HG23 H -0.716 8.840 2.180 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 16 . 2477 . 1 1 5 ILE N N -2.531 6.067 -1.013 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 16 . 2478 . 1 1 5 ILE O O -3.054 9.593 -0.919 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 16 . 2479 . 1 1 6 ABA C C -3.210 9.839 -3.856 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 16 . 2480 . 1 1 6 ABA CA C -1.828 9.420 -3.399 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 16 . 2481 . 1 1 6 ABA H H -1.530 7.375 -2.571 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 16 . 2482 . 1 1 6 ABA N N -1.932 8.336 -2.405 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 16 . 2483 . 1 1 6 ABA O O -3.552 11.003 -3.648 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 16 . 2484 . 1 1 7 PRO C C -6.331 9.539 -3.797 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 16 . 2485 . 1 1 7 PRO CA C -5.355 9.305 -4.945 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 16 . 2486 . 1 1 7 PRO CB C -5.772 8.078 -5.759 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 16 . 2487 . 1 1 7 PRO CD C -3.668 7.553 -4.753 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 16 . 2488 . 1 1 7 PRO CG C -4.978 6.955 -5.188 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 16 . 2489 . 1 1 7 PRO HA H -5.338 10.175 -5.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 16 . 2490 . 1 1 7 PRO HB2 H -6.834 7.911 -5.644 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2491 . 1 1 7 PRO HB3 H -5.538 8.237 -6.801 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 16 . 2492 . 1 1 7 PRO HD2 H -3.304 7.060 -3.865 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 16 . 2493 . 1 1 7 PRO HD3 H -2.941 7.487 -5.549 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 16 . 2494 . 1 1 7 PRO HG2 H -5.496 6.532 -4.341 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 16 . 2495 . 1 1 7 PRO HG3 H -4.813 6.201 -5.943 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 16 . 2496 . 1 1 7 PRO N N -4.011 8.957 -4.472 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 16 . 2497 . 1 1 7 PRO O O -7.411 10.099 -3.991 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 16 . 2498 . 1 1 8 LEU C C -7.094 10.744 -1.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 16 . 2499 . 1 1 8 LEU CA C -6.786 9.271 -1.420 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 16 . 2500 . 1 1 8 LEU CB C -6.100 8.667 -0.194 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 16 . 2501 . 1 1 8 LEU CD1 C -6.099 7.070 1.738 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2502 . 1 1 8 LEU CD2 C -8.267 7.874 0.786 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 16 . 2503 . 1 1 8 LEU CG C -6.826 7.498 0.473 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 16 . 2504 . 1 1 8 LEU H H -5.074 8.669 -2.508 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 16 . 2505 . 1 1 8 LEU HA H -7.713 8.747 -1.599 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 16 . 2506 . 1 1 8 LEU HB2 H -5.125 8.320 -0.498 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2507 . 1 1 8 LEU HB3 H -5.988 9.452 0.542 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 16 . 2508 . 1 1 8 LEU HD11 H -6.803 6.628 2.426 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 16 . 2509 . 1 1 8 LEU HD12 H -5.639 7.932 2.198 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 16 . 2510 . 1 1 8 LEU HD13 H -5.336 6.347 1.488 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 16 . 2511 . 1 1 8 LEU HD21 H -8.296 8.869 1.205 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 16 . 2512 . 1 1 8 LEU HD22 H -8.676 7.172 1.498 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 16 . 2513 . 1 1 8 LEU HD23 H -8.851 7.848 -0.122 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 16 . 2514 . 1 1 8 LEU HG H -6.839 6.656 -0.205 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 16 . 2515 . 1 1 8 LEU N N -5.945 9.108 -2.601 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 16 . 2516 . 1 1 8 LEU O O -8.230 11.109 -0.862 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 16 . 2517 . 1 1 9 LEU C C -5.951 13.795 -2.384 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 16 . 2518 . 1 1 9 LEU CA C -6.239 13.022 -1.101 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 16 . 2519 . 1 1 9 LEU CB C -5.312 13.504 0.017 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 16 . 2520 . 1 1 9 LEU CD1 C -4.171 13.138 2.219 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2521 . 1 1 9 LEU CD2 C -6.478 12.245 1.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 16 . 2522 . 1 1 9 LEU CG C -5.134 12.550 1.199 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 16 . 2523 . 1 1 9 LEU H H -5.196 11.238 -1.556 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 16 . 2524 . 1 1 9 LEU HA H -7.263 13.201 -0.810 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 16 . 2525 . 1 1 9 LEU HB2 H -4.339 13.680 -0.414 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2526 . 1 1 9 LEU HB3 H -5.710 14.434 0.398 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 16 . 2527 . 1 1 9 LEU HD11 H -4.702 13.351 3.134 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 16 . 2528 . 1 1 9 LEU HD12 H -3.746 14.050 1.828 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 16 . 2529 . 1 1 9 LEU HD13 H -3.381 12.429 2.417 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 16 . 2530 . 1 1 9 LEU HD21 H -7.192 11.977 1.080 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 16 . 2531 . 1 1 9 LEU HD22 H -6.829 13.119 2.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 16 . 2532 . 1 1 9 LEU HD23 H -6.366 11.425 2.538 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 16 . 2533 . 1 1 9 LEU HG H -4.715 11.619 0.842 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 16 . 2534 . 1 1 9 LEU N N -6.077 11.588 -1.309 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 16 . 2535 . 1 1 9 LEU O O -5.629 14.961 -2.409 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 16 . 2536 . 1 1 10 ABA C C -6.822 14.832 -5.112 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 16 . 2537 . 1 1 10 ABA CA C -5.830 13.712 -4.876 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 16 . 2538 . 1 1 10 ABA H H -6.360 12.075 -3.463 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 16 . 2539 . 1 1 10 ABA N N -6.077 13.086 -3.564 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 16 . 2540 . 1 1 10 ABA O O -6.373 15.960 -5.316 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 16 . 2541 . 1 1 11 PRO C C -9.231 16.609 -4.179 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 16 . 2542 . 1 1 11 PRO CA C -9.147 15.616 -5.333 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 16 . 2543 . 1 1 11 PRO CB C -10.451 14.824 -5.454 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 16 . 2544 . 1 1 11 PRO CD C -8.745 13.256 -4.866 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 16 . 2545 . 1 1 11 PRO CG C -10.205 13.570 -4.688 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 16 . 2546 . 1 1 11 PRO HA H -8.963 16.151 -6.254 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 16 . 2547 . 1 1 11 PRO HB2 H -11.263 15.395 -5.026 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2548 . 1 1 11 PRO HB3 H -10.657 14.618 -6.493 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 16 . 2549 . 1 1 11 PRO HD2 H -8.344 12.803 -3.972 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 16 . 2550 . 1 1 11 PRO HD3 H -8.599 12.608 -5.718 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 16 . 2551 . 1 1 11 PRO HG2 H -10.430 13.726 -3.644 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 16 . 2552 . 1 1 11 PRO HG3 H -10.810 12.771 -5.089 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 16 . 2553 . 1 1 11 PRO N N -8.139 14.577 -5.103 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 16 . 2554 . 1 1 11 PRO O O -9.803 17.673 -4.247 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 16 . 2555 . 1 1 12 DCL C C -7.673 18.276 -2.042 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 16 . 2556 . 1 1 12 DCL CA C -8.596 17.083 -1.803 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 16 . 2557 . 1 1 12 DCL CB C -8.091 16.273 -0.600 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 16 . 2558 . 1 1 12 DCL CD1 C -10.237 16.341 0.674 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 16 . 2559 . 1 1 12 DCL CD2 C -8.642 14.480 1.099 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 16 . 2560 . 1 1 12 DCL CG C -9.201 15.419 0.028 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 16 . 2561 . 1 1 12 DCL HA H -9.628 17.447 -1.591 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 16 . 2562 . 1 1 12 DCL HB1 H -7.270 15.604 -0.938 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 16 . 2563 . 1 1 12 DCL HB2 H -7.702 16.977 0.167 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 16 . 2564 . 1 1 12 DCL HC1 H -6.606 17.978 -1.950 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 16 . 2565 . 1 1 12 DCL HC2 H -7.847 18.721 -3.045 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 16 . 2566 . 1 1 12 DCL HD11 H -10.818 15.773 1.431 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 16 . 2567 . 1 1 12 DCL HD12 H -9.718 17.192 1.166 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 16 . 2568 . 1 1 12 DCL HD13 H -10.926 16.728 -0.108 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 16 . 2569 . 1 1 12 DCL HD21 H -8.626 13.440 0.708 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 16 . 2570 . 1 1 12 DCL HD22 H -7.608 14.793 1.362 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 16 . 2571 . 1 1 12 DCL HD23 H -9.286 14.526 2.003 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 16 . 2572 . 1 1 12 DCL HG H -9.666 14.803 -0.772 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 16 . 2573 . 1 1 12 DCL HN1 H -8.132 15.294 -3.030 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 16 . 2574 . 1 1 12 DCL HXT H -8.224 20.201 -1.358 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 16 . 2575 . 1 1 12 DCL N N -8.606 16.235 -3.007 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 16 . 2576 . 1 1 12 DCL OXT O -7.933 19.276 -1.068 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 17 . 2577 . 1 1 1 ACE C C 1.415 1.670 1.075 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 17 . 2578 . 1 1 1 ACE CH3 C 0.935 0.260 1.035 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 17 . 2579 . 1 1 1 ACE H1 H 1.558 -0.355 1.685 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 17 . 2580 . 1 1 1 ACE H2 H -0.099 0.218 1.377 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 17 . 2581 . 1 1 1 ACE H3 H 0.995 -0.116 0.013 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 17 . 2582 . 1 1 1 ACE O O 2.078 2.151 1.966 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 17 . 2583 . 1 1 2 ABA C C 0.918 4.443 -1.418 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 17 . 2584 . 1 1 2 ABA CA C 1.443 3.859 -0.123 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 17 . 2585 . 1 1 2 ABA H H 0.472 1.956 -0.746 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 17 . 2586 . 1 1 2 ABA N N 1.049 2.443 -0.010 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 17 . 2587 . 1 1 2 ABA O O 0.703 5.654 -1.435 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 17 . 2588 . 1 1 3 ASN C C -1.253 4.563 -3.627 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 17 . 2589 . 1 1 3 ASN CA C 0.221 4.186 -3.736 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 17 . 2590 . 1 1 3 ASN CB C 0.416 3.159 -4.853 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 17 . 2591 . 1 1 3 ASN CG C 1.866 3.036 -5.279 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 17 . 2592 . 1 1 3 ASN H H 0.907 2.698 -2.395 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 17 . 2593 . 1 1 3 ASN HA H 0.791 5.072 -3.970 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 17 . 2594 . 1 1 3 ASN HB2 H 0.079 2.192 -4.508 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2595 . 1 1 3 ASN HB3 H -0.169 3.454 -5.711 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 17 . 2596 . 1 1 3 ASN HD21 H 1.667 1.067 -5.475 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 17 . 2597 . 1 1 3 ASN HD22 H 3.232 1.703 -5.835 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 17 . 2598 . 1 1 3 ASN N N 0.717 3.657 -2.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 17 . 2599 . 1 1 3 ASN ND2 N 2.299 1.812 -5.558 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 17 . 2600 . 1 1 3 ASN O O -1.767 5.337 -4.435 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 17 . 2601 . 1 1 3 ASN OD1 O 2.589 4.030 -5.356 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2602 . 1 1 4 ILE C C -3.536 5.623 -1.695 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 17 . 2603 . 1 1 4 ILE CA C -3.342 4.290 -2.410 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 17 . 2604 . 1 1 4 ILE CB C -4.017 3.177 -1.588 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 17 . 2605 . 1 1 4 ILE CD1 C -4.128 1.631 -3.607 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2606 . 1 1 4 ILE CG1 C -3.678 1.804 -2.173 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 17 . 2607 . 1 1 4 ILE CG2 C -5.524 3.385 -1.552 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 17 . 2608 . 1 1 4 ILE H H -1.462 3.402 -2.014 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 17 . 2609 . 1 1 4 ILE HA H -3.822 4.339 -3.376 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 17 . 2610 . 1 1 4 ILE HB H -3.646 3.230 -0.576 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 17 . 2611 . 1 1 4 ILE HD11 H -5.153 1.956 -3.705 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 17 . 2612 . 1 1 4 ILE HD12 H -3.499 2.219 -4.257 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 17 . 2613 . 1 1 4 ILE HD13 H -4.055 0.588 -3.884 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 17 . 2614 . 1 1 4 ILE HG12 H -2.610 1.660 -2.142 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 17 . 2615 . 1 1 4 ILE HG13 H -4.158 1.039 -1.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 17 . 2616 . 1 1 4 ILE HG21 H -6.022 2.446 -1.740 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 17 . 2617 . 1 1 4 ILE HG22 H -5.812 3.755 -0.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 17 . 2618 . 1 1 4 ILE HG23 H -5.807 4.101 -2.308 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 17 . 2619 . 1 1 4 ILE N N -1.927 4.011 -2.624 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 17 . 2620 . 1 1 4 ILE O O -4.564 6.281 -1.856 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 17 . 2621 . 1 1 5 ILE C C -2.562 8.467 -1.114 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 17 . 2622 . 1 1 5 ILE CA C -2.602 7.271 -0.168 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 17 . 2623 . 1 1 5 ILE CB C -1.443 7.389 0.839 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 17 . 2624 . 1 1 5 ILE CD1 C -2.730 6.727 2.933 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2625 . 1 1 5 ILE CG1 C -1.618 6.374 1.971 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 17 . 2626 . 1 1 5 ILE CG2 C -1.367 8.803 1.396 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 17 . 2627 . 1 1 5 ILE H H -1.748 5.448 -0.818 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 17 . 2628 . 1 1 5 ILE HA H -3.533 7.291 0.380 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 17 . 2629 . 1 1 5 ILE HB H -0.521 7.182 0.319 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 17 . 2630 . 1 1 5 ILE HD11 H -2.338 7.344 3.728 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 17 . 2631 . 1 1 5 ILE HD12 H -3.504 7.265 2.407 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 17 . 2632 . 1 1 5 ILE HD13 H -3.144 5.821 3.352 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 17 . 2633 . 1 1 5 ILE HG12 H -1.840 5.407 1.548 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 17 . 2634 . 1 1 5 ILE HG13 H -0.698 6.313 2.534 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 17 . 2635 . 1 1 5 ILE HG21 H -0.980 9.468 0.637 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 17 . 2636 . 1 1 5 ILE HG22 H -2.354 9.128 1.688 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 17 . 2637 . 1 1 5 ILE HG23 H -0.713 8.817 2.254 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 17 . 2638 . 1 1 5 ILE N N -2.541 6.016 -0.906 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 17 . 2639 . 1 1 5 ILE O O -3.045 9.546 -0.855 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 17 . 2640 . 1 1 6 ABA C C -3.201 9.754 -3.798 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 17 . 2641 . 1 1 6 ABA CA C -1.822 9.335 -3.334 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 17 . 2642 . 1 1 6 ABA H H -1.534 7.299 -2.481 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 17 . 2643 . 1 1 6 ABA N N -1.930 8.264 -2.326 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 17 . 2644 . 1 1 6 ABA O O -3.539 10.922 -3.605 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 17 . 2645 . 1 1 7 PRO C C -6.323 9.467 -3.737 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 17 . 2646 . 1 1 7 PRO CA C -5.347 9.214 -4.881 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 17 . 2647 . 1 1 7 PRO CB C -5.769 7.978 -5.680 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 17 . 2648 . 1 1 7 PRO CD C -3.668 7.458 -4.666 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 17 . 2649 . 1 1 7 PRO CG C -4.979 6.860 -5.093 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 17 . 2650 . 1 1 7 PRO HA H -5.326 10.076 -5.532 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 17 . 2651 . 1 1 7 PRO HB2 H -6.832 7.816 -5.564 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2652 . 1 1 7 PRO HB3 H -5.533 8.122 -6.724 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 17 . 2653 . 1 1 7 PRO HD2 H -3.306 6.975 -3.770 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 17 . 2654 . 1 1 7 PRO HD3 H -2.940 7.379 -5.460 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 17 . 2655 . 1 1 7 PRO HG2 H -5.500 6.450 -4.241 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 17 . 2656 . 1 1 7 PRO HG3 H -4.817 6.095 -5.838 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 17 . 2657 . 1 1 7 PRO N N -4.006 8.867 -4.403 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 17 . 2658 . 1 1 7 PRO O O -7.401 10.028 -3.939 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 17 . 2659 . 1 1 8 LEU C C -7.085 10.709 -1.129 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 17 . 2660 . 1 1 8 LEU CA C -6.781 9.232 -1.358 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 17 . 2661 . 1 1 8 LEU CB C -6.098 8.643 -0.122 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 17 . 2662 . 1 1 8 LEU CD1 C -6.102 7.073 1.832 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2663 . 1 1 8 LEU CD2 C -8.268 7.870 0.867 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 17 . 2664 . 1 1 8 LEU CG C -6.828 7.485 0.561 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 17 . 2665 . 1 1 8 LEU H H -5.070 8.609 -2.437 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 17 . 2666 . 1 1 8 LEU HA H -7.710 8.708 -1.530 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 17 . 2667 . 1 1 8 LEU HB2 H -5.123 8.288 -0.421 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2668 . 1 1 8 LEU HB3 H -5.984 9.437 0.602 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 17 . 2669 . 1 1 8 LEU HD11 H -6.825 6.830 2.596 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 17 . 2670 . 1 1 8 LEU HD12 H -5.479 7.887 2.171 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 17 . 2671 . 1 1 8 LEU HD13 H -5.486 6.209 1.630 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 17 . 2672 . 1 1 8 LEU HD21 H -8.656 7.222 1.639 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 17 . 2673 . 1 1 8 LEU HD22 H -8.867 7.764 -0.026 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 17 . 2674 . 1 1 8 LEU HD23 H -8.303 8.895 1.206 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 17 . 2675 . 1 1 8 LEU HG H -6.843 6.634 -0.106 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 17 . 2676 . 1 1 8 LEU N N -5.940 9.050 -2.535 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 17 . 2677 . 1 1 8 LEU O O -8.220 11.080 -0.828 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 17 . 2678 . 1 1 9 LEU C C -5.930 13.739 -2.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 17 . 2679 . 1 1 9 LEU CA C -6.224 12.985 -1.087 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 17 . 2680 . 1 1 9 LEU CB C -5.298 13.478 0.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 17 . 2681 . 1 1 9 LEU CD1 C -4.975 11.923 1.965 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2682 . 1 1 9 LEU CD2 C -5.501 14.334 2.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 17 . 2683 . 1 1 9 LEU CG C -5.727 13.142 1.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 17 . 2684 . 1 1 9 LEU H H -5.185 11.192 -1.516 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 17 . 2685 . 1 1 9 LEU HA H -7.248 13.171 -0.801 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 17 . 2686 . 1 1 9 LEU HB2 H -4.324 13.044 -0.137 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2687 . 1 1 9 LEU HB3 H -5.228 14.554 -0.055 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 17 . 2688 . 1 1 9 LEU HD11 H -5.570 11.419 2.711 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 17 . 2689 . 1 1 9 LEU HD12 H -4.038 12.235 2.402 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 17 . 2690 . 1 1 9 LEU HD13 H -4.782 11.249 1.143 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 17 . 2691 . 1 1 9 LEU HD21 H -6.040 14.182 3.297 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 17 . 2692 . 1 1 9 LEU HD22 H -5.859 15.232 1.892 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 17 . 2693 . 1 1 9 LEU HD23 H -4.446 14.432 2.583 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 17 . 2694 . 1 1 9 LEU HG H -6.783 12.909 1.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 17 . 2695 . 1 1 9 LEU N N -6.065 11.547 -1.276 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 17 . 2696 . 1 1 9 LEU O O -5.606 14.904 -2.420 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 17 . 2697 . 1 1 10 ABA C C -6.786 14.746 -5.121 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 17 . 2698 . 1 1 10 ABA CA C -5.803 13.622 -4.870 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 17 . 2699 . 1 1 10 ABA H H -6.340 12.006 -3.437 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 17 . 2700 . 1 1 10 ABA N N -6.055 13.015 -3.551 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 17 . 2701 . 1 1 10 ABA O O -6.329 15.868 -5.341 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 17 . 2702 . 1 1 11 PRO C C -9.183 16.553 -4.211 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 17 . 2703 . 1 1 11 PRO CA C -9.106 15.544 -5.353 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 17 . 2704 . 1 1 11 PRO CB C -10.416 14.760 -5.462 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 17 . 2705 . 1 1 11 PRO CD C -8.721 13.188 -4.854 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 17 . 2706 . 1 1 11 PRO CG C -10.178 13.514 -4.680 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 17 . 2707 . 1 1 11 PRO HA H -8.918 16.065 -6.280 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 17 . 2708 . 1 1 11 PRO HB2 H -11.224 15.343 -5.042 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2709 . 1 1 11 PRO HB3 H -10.623 14.541 -6.499 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 17 . 2710 . 1 1 11 PRO HD2 H -8.323 12.744 -3.954 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 17 . 2711 . 1 1 11 PRO HD3 H -8.580 12.527 -5.697 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 17 . 2712 . 1 1 11 PRO HG2 H -10.402 13.686 -3.639 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 17 . 2713 . 1 1 11 PRO HG3 H -10.790 12.714 -5.070 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 17 . 2714 . 1 1 11 PRO N N -8.105 14.501 -5.109 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 17 . 2715 . 1 1 11 PRO O O -9.742 17.623 -4.296 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 17 . 2716 . 1 1 12 DCL C C -7.560 18.191 -2.063 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 17 . 2717 . 1 1 12 DCL CA C -8.551 17.051 -1.840 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 17 . 2718 . 1 1 12 DCL CB C -8.127 16.233 -0.611 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 17 . 2719 . 1 1 12 DCL CD1 C -10.324 16.391 0.563 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 17 . 2720 . 1 1 12 DCL CD2 C -8.817 14.482 1.082 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 17 . 2721 . 1 1 12 DCL CG C -9.293 15.425 -0.025 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 17 . 2722 . 1 1 12 DCL HA H -9.568 17.470 -1.666 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 17 . 2723 . 1 1 12 DCL HB1 H -7.318 15.531 -0.909 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 17 . 2724 . 1 1 12 DCL HB2 H -7.745 16.928 0.168 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 17 . 2725 . 1 1 12 DCL HC1 H -6.628 18.027 -1.479 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 17 . 2726 . 1 1 12 DCL HC2 H -7.307 18.295 -3.140 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 17 . 2727 . 1 1 12 DCL HD11 H -10.902 15.876 1.360 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 17 . 2728 . 1 1 12 DCL HD12 H -9.802 17.273 0.993 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 17 . 2729 . 1 1 12 DCL HD13 H -11.018 16.725 -0.240 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 17 . 2730 . 1 1 12 DCL HD21 H -7.901 14.897 1.554 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 17 . 2731 . 1 1 12 DCL HD22 H -9.616 14.379 1.849 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 17 . 2732 . 1 1 12 DCL HD23 H -8.590 13.486 0.646 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 17 . 2733 . 1 1 12 DCL HG H -9.744 14.816 -0.837 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 17 . 2734 . 1 1 12 DCL HN1 H -8.103 15.240 -3.042 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 17 . 2735 . 1 1 12 DCL HXT H -8.255 20.177 -2.281 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 17 . 2736 . 1 1 12 DCL N N -8.567 16.187 -3.032 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 17 . 2737 . 1 1 12 DCL OXT O -8.140 19.412 -1.629 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 18 . 2738 . 1 1 1 ACE C C 1.460 1.685 0.979 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 18 . 2739 . 1 1 1 ACE CH3 C 0.997 0.272 0.888 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 18 . 2740 . 1 1 1 ACE H1 H -0.026 0.249 0.512 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 18 . 2741 . 1 1 1 ACE H2 H 1.646 -0.280 0.208 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 18 . 2742 . 1 1 1 ACE H3 H 1.031 -0.186 1.876 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 18 . 2743 . 1 1 1 ACE O O 2.093 2.149 1.900 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 18 . 2744 . 1 1 2 ABA C C 1.001 4.520 -1.452 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 18 . 2745 . 1 1 2 ABA CA C 1.497 3.906 -0.159 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 18 . 2746 . 1 1 2 ABA H H 0.564 2.011 -0.859 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 18 . 2747 . 1 1 2 ABA N N 1.115 2.484 -0.095 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 18 . 2748 . 1 1 2 ABA O O 0.774 5.729 -1.443 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 18 . 2749 . 1 1 3 ASN C C -1.111 4.678 -3.716 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 18 . 2750 . 1 1 3 ASN CA C 0.370 4.319 -3.794 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 18 . 2751 . 1 1 3 ASN CB C 0.605 3.324 -4.933 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 18 . 2752 . 1 1 3 ASN CG C -0.130 2.015 -4.718 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 18 . 2753 . 1 1 3 ASN H H 1.034 2.802 -2.475 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 18 . 2754 . 1 1 3 ASN HA H 0.937 5.216 -3.989 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 18 . 2755 . 1 1 3 ASN HB2 H 0.261 3.759 -5.860 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2756 . 1 1 3 ASN HB3 H 1.662 3.115 -5.008 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 18 . 2757 . 1 1 3 ASN HD21 H -1.459 2.504 -6.114 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 18 . 2758 . 1 1 3 ASN HD22 H -1.698 0.971 -5.353 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 18 . 2759 . 1 1 3 ASN N N 0.837 3.760 -2.530 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 18 . 2760 . 1 1 3 ASN ND2 N -1.204 1.809 -5.471 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 18 . 2761 . 1 1 3 ASN O O -1.611 5.469 -4.517 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 18 . 2762 . 1 1 3 ASN OD1 O 0.264 1.198 -3.885 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2763 . 1 1 4 ILE C C -3.456 5.664 -1.819 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 18 . 2764 . 1 1 4 ILE CA C -3.228 4.353 -2.563 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 18 . 2765 . 1 1 4 ILE CB C -3.914 3.211 -1.790 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 18 . 2766 . 1 1 4 ILE CD1 C -2.452 1.128 -1.740 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2767 . 1 1 4 ILE CG1 C -3.582 1.861 -2.429 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 18 . 2768 . 1 1 4 ILE CG2 C -5.419 3.428 -1.750 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 18 . 2769 . 1 1 4 ILE H H -1.351 3.472 -2.140 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 18 . 2770 . 1 1 4 ILE HA H -3.683 4.422 -3.541 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 18 . 2771 . 1 1 4 ILE HB H -3.546 3.222 -0.775 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 18 . 2772 . 1 1 4 ILE HD11 H -2.804 0.168 -1.392 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 18 . 2773 . 1 1 4 ILE HD12 H -1.639 0.984 -2.435 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 18 . 2774 . 1 1 4 ILE HD13 H -2.107 1.710 -0.897 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 18 . 2775 . 1 1 4 ILE HG12 H -4.455 1.229 -2.396 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 18 . 2776 . 1 1 4 ILE HG13 H -3.296 2.020 -3.459 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 18 . 2777 . 1 1 4 ILE HG21 H -5.914 2.611 -2.253 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 18 . 2778 . 1 1 4 ILE HG22 H -5.750 3.469 -0.723 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 18 . 2779 . 1 1 4 ILE HG23 H -5.663 4.356 -2.244 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 18 . 2780 . 1 1 4 ILE N N -1.806 4.093 -2.747 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 18 . 2781 . 1 1 4 ILE O O -4.486 6.316 -1.991 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 18 . 2782 . 1 1 5 ILE C C -2.528 8.501 -1.139 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 18 . 2783 . 1 1 5 ILE CA C -2.580 7.281 -0.226 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 18 . 2784 . 1 1 5 ILE CB C -1.450 7.384 0.815 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 18 . 2785 . 1 1 5 ILE CD1 C -2.785 6.655 2.856 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2786 . 1 1 5 ILE CG1 C -1.644 6.338 1.915 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 18 . 2787 . 1 1 5 ILE CG2 C -1.403 8.783 1.410 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 18 . 2788 . 1 1 5 ILE H H -1.690 5.484 -0.900 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 18 . 2789 . 1 1 5 ILE HA H -3.526 7.277 0.297 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 18 . 2790 . 1 1 5 ILE HB H -0.512 7.200 0.314 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 18 . 2791 . 1 1 5 ILE HD11 H -3.267 5.737 3.160 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 18 . 2792 . 1 1 5 ILE HD12 H -2.404 7.168 3.725 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 18 . 2793 . 1 1 5 ILE HD13 H -3.502 7.286 2.351 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 18 . 2794 . 1 1 5 ILE HG12 H -1.845 5.380 1.461 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 18 . 2795 . 1 1 5 ILE HG13 H -0.739 6.271 2.501 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 18 . 2796 . 1 1 5 ILE HG21 H -0.993 8.737 2.408 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 18 . 2797 . 1 1 5 ILE HG22 H -0.780 9.415 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 18 . 2798 . 1 1 5 ILE HG23 H -2.402 9.192 1.449 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 18 . 2799 . 1 1 5 ILE N N -2.487 6.046 -0.994 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 18 . 2800 . 1 1 5 ILE O O -3.029 9.568 -0.866 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 18 . 2801 . 1 1 6 ABA C C -3.109 9.852 -3.805 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 18 . 2802 . 1 1 6 ABA CA C -1.738 9.434 -3.316 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 18 . 2803 . 1 1 6 ABA H H -1.451 7.380 -2.508 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 18 . 2804 . 1 1 6 ABA N N -1.862 8.336 -2.339 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 18 . 2805 . 1 1 6 ABA O O -3.464 11.011 -3.591 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 18 . 2806 . 1 1 7 PRO C C -6.228 9.532 -3.835 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 18 . 2807 . 1 1 7 PRO CA C -5.220 9.319 -4.959 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 18 . 2808 . 1 1 7 PRO CB C -5.607 8.101 -5.801 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 18 . 2809 . 1 1 7 PRO CD C -3.528 7.575 -4.744 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 18 . 2810 . 1 1 7 PRO CG C -4.821 6.975 -5.222 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 18 . 2811 . 1 1 7 PRO HA H -5.190 10.198 -5.586 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 18 . 2812 . 1 1 7 PRO HB2 H -6.670 7.926 -5.717 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2813 . 1 1 7 PRO HB3 H -5.345 8.275 -6.834 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 18 . 2814 . 1 1 7 PRO HD2 H -3.185 7.072 -3.852 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 18 . 2815 . 1 1 7 PRO HD3 H -2.779 7.524 -5.520 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 18 . 2816 . 1 1 7 PRO HG2 H -5.360 6.538 -4.395 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 18 . 2817 . 1 1 7 PRO HG3 H -4.631 6.232 -5.982 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 18 . 2818 . 1 1 7 PRO N N -3.888 8.973 -4.454 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 18 . 2819 . 1 1 7 PRO O O -7.306 10.088 -4.052 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 18 . 2820 . 1 1 8 LEU C C -7.073 10.698 -1.218 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 18 . 2821 . 1 1 8 LEU CA C -6.747 9.230 -1.476 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 18 . 2822 . 1 1 8 LEU CB C -6.090 8.617 -0.238 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 18 . 2823 . 1 1 8 LEU CD1 C -6.130 6.997 1.674 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2824 . 1 1 8 LEU CD2 C -8.277 7.797 0.673 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 18 . 2825 . 1 1 8 LEU CG C -6.825 7.435 0.395 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 18 . 2826 . 1 1 8 LEU H H -5.002 8.653 -2.524 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 18 . 2827 . 1 1 8 LEU HA H -7.665 8.702 -1.687 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 18 . 2828 . 1 1 8 LEU HB2 H -5.104 8.280 -0.520 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2829 . 1 1 8 LEU HB3 H -6.004 9.393 0.509 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 18 . 2830 . 1 1 8 LEU HD11 H -6.032 7.842 2.339 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 18 . 2831 . 1 1 8 LEU HD12 H -5.149 6.611 1.437 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 18 . 2832 . 1 1 8 LEU HD13 H -6.713 6.226 2.155 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 18 . 2833 . 1 1 8 LEU HD21 H -8.424 8.853 0.500 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 18 . 2834 . 1 1 8 LEU HD22 H -8.516 7.564 1.700 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 18 . 2835 . 1 1 8 LEU HD23 H -8.921 7.231 0.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 18 . 2836 . 1 1 8 LEU HG H -6.813 6.601 -0.293 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 18 . 2837 . 1 1 8 LEU N N -5.872 9.088 -2.635 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 18 . 2838 . 1 1 8 LEU O O -8.220 11.050 -0.938 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 18 . 2839 . 1 1 9 LEU C C -5.917 13.771 -2.359 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 18 . 2840 . 1 1 9 LEU CA C -6.238 12.981 -1.094 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 18 . 2841 . 1 1 9 LEU CB C -5.348 13.455 0.057 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 18 . 2842 . 1 1 9 LEU CD1 C -4.532 11.908 1.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2843 . 1 1 9 LEU CD2 C -5.842 13.950 2.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 18 . 2844 . 1 1 9 LEU CG C -5.648 12.851 1.429 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 18 . 2845 . 1 1 9 LEU H H -5.168 11.210 -1.540 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 18 . 2846 . 1 1 9 LEU HA H -7.272 13.149 -0.831 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 18 . 2847 . 1 1 9 LEU HB2 H -4.327 13.213 -0.194 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2848 . 1 1 9 LEU HB3 H -5.454 14.527 0.135 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 18 . 2849 . 1 1 9 LEU HD11 H -4.005 11.558 0.978 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 18 . 2850 . 1 1 9 LEU HD12 H -4.955 11.065 2.380 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 18 . 2851 . 1 1 9 LEU HD13 H -3.846 12.432 2.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 18 . 2852 . 1 1 9 LEU HD21 H -4.878 14.277 2.826 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 18 . 2853 . 1 1 9 LEU HD22 H -6.425 13.568 3.289 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 18 . 2854 . 1 1 9 LEU HD23 H -6.359 14.783 2.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 18 . 2855 . 1 1 9 LEU HG H -6.564 12.279 1.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 18 . 2856 . 1 1 9 LEU N N -6.059 11.550 -1.315 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 18 . 2857 . 1 1 9 LEU O O -5.605 14.940 -2.359 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 18 . 2858 . 1 1 10 ABA C C -6.709 14.842 -5.095 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 18 . 2859 . 1 1 10 ABA CA C -5.721 13.721 -4.846 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 18 . 2860 . 1 1 10 ABA H H -6.280 12.063 -3.471 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 18 . 2861 . 1 1 10 ABA N N -6.002 13.077 -3.550 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 18 . 2862 . 1 1 10 ABA O O -6.257 15.973 -5.273 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 18 . 2863 . 1 1 11 PRO C C -9.146 16.602 -4.203 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 18 . 2864 . 1 1 11 PRO CA C -9.029 15.624 -5.367 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 18 . 2865 . 1 1 11 PRO CB C -10.328 14.831 -5.532 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 18 . 2866 . 1 1 11 PRO CD C -8.634 13.260 -4.920 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 18 . 2867 . 1 1 11 PRO CG C -10.099 13.568 -4.776 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 18 . 2868 . 1 1 11 PRO HA H -8.822 16.171 -6.276 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 18 . 2869 . 1 1 11 PRO HB2 H -11.152 15.396 -5.119 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2870 . 1 1 11 PRO HB3 H -10.506 14.638 -6.579 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 18 . 2871 . 1 1 11 PRO HD2 H -8.256 12.796 -4.021 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 18 . 2872 . 1 1 11 PRO HD3 H -8.464 12.622 -5.775 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 18 . 2873 . 1 1 11 PRO HG2 H -10.352 13.711 -3.737 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 18 . 2874 . 1 1 11 PRO HG3 H -10.692 12.773 -5.203 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 18 . 2875 . 1 1 11 PRO N N -8.025 14.585 -5.124 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 18 . 2876 . 1 1 11 PRO O O -9.712 17.669 -4.275 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 18 . 2877 . 1 1 12 DCL C C -7.597 18.196 -1.969 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 18 . 2878 . 1 1 12 DCL CA C -8.585 17.043 -1.803 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 18 . 2879 . 1 1 12 DCL CB C -8.188 16.197 -0.584 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 18 . 2880 . 1 1 12 DCL CD1 C -10.418 16.305 0.533 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 18 . 2881 . 1 1 12 DCL CD2 C -8.909 14.394 1.040 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 18 . 2882 . 1 1 12 DCL CG C -9.363 15.364 -0.052 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 18 . 2883 . 1 1 12 DCL HA H -9.610 17.449 -1.647 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 18 . 2884 . 1 1 12 DCL HB1 H -7.364 15.510 -0.877 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 18 . 2885 . 1 1 12 DCL HB2 H -7.835 16.874 0.223 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 18 . 2886 . 1 1 12 DCL HC1 H -6.550 17.842 -1.856 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 18 . 2887 . 1 1 12 DCL HC2 H -7.718 18.685 -2.959 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 18 . 2888 . 1 1 12 DCL HD11 H -10.661 15.990 1.570 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 18 . 2889 . 1 1 12 DCL HD12 H -10.023 17.343 0.543 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 18 . 2890 . 1 1 12 DCL HD13 H -11.337 16.263 -0.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 18 . 2891 . 1 1 12 DCL HD21 H -8.955 14.901 2.028 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 18 . 2892 . 1 1 12 DCL HD22 H -9.578 13.506 1.048 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 18 . 2893 . 1 1 12 DCL HD23 H -7.865 14.071 0.839 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 18 . 2894 . 1 1 12 DCL HG H -9.785 14.774 -0.893 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 18 . 2895 . 1 1 12 DCL HN1 H -8.088 15.268 -3.038 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 18 . 2896 . 1 1 12 DCL HXT H -8.076 20.121 -1.230 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 18 . 2897 . 1 1 12 DCL N N -8.560 16.210 -3.017 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 18 . 2898 . 1 1 12 DCL OXT O -7.840 19.172 -0.966 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 19 . 2899 . 1 1 1 ACE C C 1.425 1.673 1.077 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 19 . 2900 . 1 1 1 ACE CH3 C 0.938 0.265 1.058 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 19 . 2901 . 1 1 1 ACE H1 H 1.781 -0.412 1.196 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 19 . 2902 . 1 1 1 ACE H2 H 0.218 0.118 1.863 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 19 . 2903 . 1 1 1 ACE H3 H 0.460 0.059 0.100 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 19 . 2904 . 1 1 1 ACE O O 2.097 2.162 1.956 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 19 . 2905 . 1 1 2 ABA C C 0.916 4.419 -1.444 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 19 . 2906 . 1 1 2 ABA CA C 1.451 3.848 -0.147 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 19 . 2907 . 1 1 2 ABA H H 0.467 1.941 -0.739 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 19 . 2908 . 1 1 2 ABA N N 1.052 2.435 -0.014 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 19 . 2909 . 1 1 2 ABA O O 0.708 5.631 -1.475 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 19 . 2910 . 1 1 3 ASN C C -1.277 4.525 -3.633 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 19 . 2911 . 1 1 3 ASN CA C 0.194 4.137 -3.752 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 19 . 2912 . 1 1 3 ASN CB C 0.371 3.095 -4.858 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 19 . 2913 . 1 1 3 ASN CG C 1.750 3.147 -5.486 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 19 . 2914 . 1 1 3 ASN H H 0.885 2.662 -2.399 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 19 . 2915 . 1 1 3 ASN HA H 0.767 5.017 -4.003 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 19 . 2916 . 1 1 3 ASN HB2 H 0.223 2.109 -4.442 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 2917 . 1 1 3 ASN HB3 H -0.364 3.269 -5.629 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 19 . 2918 . 1 1 3 ASN HD21 H 2.109 1.277 -4.912 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 19 . 2919 . 1 1 3 ASN HD22 H 3.385 2.055 -5.779 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 19 . 2920 . 1 1 3 ASN N N 0.700 3.621 -2.485 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 19 . 2921 . 1 1 3 ASN ND2 N 2.489 2.049 -5.382 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 19 . 2922 . 1 1 3 ASN O O -1.794 5.292 -4.446 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 19 . 2923 . 1 1 3 ASN OD1 O 2.146 4.162 -6.059 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 19 . 2924 . 1 1 4 ILE C C -3.531 5.621 -1.681 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 19 . 2925 . 1 1 4 ILE CA C -3.353 4.283 -2.389 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 19 . 2926 . 1 1 4 ILE CB C -4.030 3.179 -1.555 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 19 . 2927 . 1 1 4 ILE CD1 C -4.403 1.710 -3.600 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 19 . 2928 . 1 1 4 ILE CG1 C -3.817 1.812 -2.209 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 19 . 2929 . 1 1 4 ILE CG2 C -5.515 3.470 -1.396 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 19 . 2930 . 1 1 4 ILE H H -1.476 3.387 -2.001 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 19 . 2931 . 1 1 4 ILE HA H -3.842 4.329 -3.352 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 19 . 2932 . 1 1 4 ILE HB H -3.582 3.174 -0.574 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 19 . 2933 . 1 1 4 ILE HD11 H -5.427 2.051 -3.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 19 . 2934 . 1 1 4 ILE HD12 H -3.828 2.321 -4.279 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 19 . 2935 . 1 1 4 ILE HD13 H -4.372 0.680 -3.929 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 19 . 2936 . 1 1 4 ILE HG12 H -2.759 1.615 -2.280 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 19 . 2937 . 1 1 4 ILE HG13 H -4.280 1.052 -1.596 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 19 . 2938 . 1 1 4 ILE HG21 H -5.793 4.286 -2.047 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 19 . 2939 . 1 1 4 ILE HG22 H -6.084 2.591 -1.660 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 19 . 2940 . 1 1 4 ILE HG23 H -5.721 3.740 -0.372 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 19 . 2941 . 1 1 4 ILE N N -1.943 3.991 -2.615 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 19 . 2942 . 1 1 4 ILE O O -4.553 6.289 -1.842 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 19 . 2943 . 1 1 5 ILE C C -2.525 8.457 -1.118 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 19 . 2944 . 1 1 5 ILE CA C -2.575 7.267 -0.166 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 19 . 2945 . 1 1 5 ILE CB C -1.412 7.377 0.838 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 19 . 2946 . 1 1 5 ILE CD1 C -2.704 6.735 2.935 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 19 . 2947 . 1 1 5 ILE CG1 C -1.593 6.369 1.975 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 19 . 2948 . 1 1 5 ILE CG2 C -1.319 8.793 1.388 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 19 . 2949 . 1 1 5 ILE H H -1.743 5.431 -0.808 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 19 . 2950 . 1 1 5 ILE HA H -3.504 7.299 0.386 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 19 . 2951 . 1 1 5 ILE HB H -0.493 7.159 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 19 . 2952 . 1 1 5 ILE HD11 H -3.374 7.436 2.461 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 19 . 2953 . 1 1 5 ILE HD12 H -3.249 5.845 3.211 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 19 . 2954 . 1 1 5 ILE HD13 H -2.280 7.186 3.821 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 19 . 2955 . 1 1 5 ILE HG12 H -1.822 5.402 1.557 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 19 . 2956 . 1 1 5 ILE HG13 H -0.674 6.305 2.539 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 19 . 2957 . 1 1 5 ILE HG21 H -0.855 8.771 2.362 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 19 . 2958 . 1 1 5 ILE HG22 H -0.725 9.399 0.721 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 19 . 2959 . 1 1 5 ILE HG23 H -2.310 9.213 1.470 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 19 . 2960 . 1 1 5 ILE N N -2.530 6.007 -0.897 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 19 . 2961 . 1 1 5 ILE O O -2.995 9.542 -0.863 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 19 . 2962 . 1 1 6 ABA C C -3.159 9.739 -3.804 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 19 . 2963 . 1 1 6 ABA CA C -1.783 9.305 -3.345 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 19 . 2964 . 1 1 6 ABA H H -1.514 7.271 -2.482 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 19 . 2965 . 1 1 6 ABA N N -1.899 8.241 -2.331 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 19 . 2966 . 1 1 6 ABA O O -3.482 10.912 -3.615 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 19 . 2967 . 1 1 7 PRO C C -6.284 9.491 -3.727 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 19 . 2968 . 1 1 7 PRO CA C -5.317 9.220 -4.874 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 19 . 2969 . 1 1 7 PRO CB C -5.758 7.987 -5.665 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 19 . 2970 . 1 1 7 PRO CD C -3.658 7.445 -4.658 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 19 . 2971 . 1 1 7 PRO CG C -4.979 6.861 -5.077 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 19 . 2972 . 1 1 7 PRO HA H -5.288 10.079 -5.529 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 19 . 2973 . 1 1 7 PRO HB2 H -6.822 7.839 -5.543 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 2974 . 1 1 7 PRO HB3 H -5.525 8.123 -6.711 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 19 . 2975 . 1 1 7 PRO HD2 H -3.298 6.962 -3.762 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 19 . 2976 . 1 1 7 PRO HD3 H -2.935 7.353 -5.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 19 . 2977 . 1 1 7 PRO HG2 H -5.501 6.462 -4.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 19 . 2978 . 1 1 7 PRO HG3 H -4.829 6.091 -5.819 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 19 . 2979 . 1 1 7 PRO N N -3.977 8.860 -4.400 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 19 . 2980 . 1 1 7 PRO O O -7.356 10.065 -3.926 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 19 . 2981 . 1 1 8 LEU C C -7.015 10.755 -1.118 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 19 . 2982 . 1 1 8 LEU CA C -6.734 9.273 -1.344 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 19 . 2983 . 1 1 8 LEU CB C -6.054 8.677 -0.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 19 . 2984 . 1 1 8 LEU CD1 C -6.072 7.111 1.847 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 19 . 2985 . 1 1 8 LEU CD2 C -8.230 7.937 0.890 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 19 . 2986 . 1 1 8 LEU CG C -6.797 7.532 0.578 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 19 . 2987 . 1 1 8 LEU H H -5.036 8.624 -2.428 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 19 . 2988 . 1 1 8 LEU HA H -7.671 8.762 -1.511 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 19 . 2989 . 1 1 8 LEU HB2 H -5.086 8.308 -0.412 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 2990 . 1 1 8 LEU HB3 H -5.926 9.471 0.612 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 19 . 2991 . 1 1 8 LEU HD11 H -5.681 7.985 2.345 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 19 . 2992 . 1 1 8 LEU HD12 H -5.260 6.446 1.594 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 19 . 2993 . 1 1 8 LEU HD13 H -6.762 6.601 2.504 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 19 . 2994 . 1 1 8 LEU HD21 H -8.901 7.447 0.200 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 19 . 2995 . 1 1 8 LEU HD22 H -8.331 9.008 0.790 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 19 . 2996 . 1 1 8 LEU HD23 H -8.476 7.644 1.900 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 19 . 2997 . 1 1 8 LEU HG H -6.827 6.679 -0.086 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 19 . 2998 . 1 1 8 LEU N N -5.900 9.075 -2.525 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 19 . 2999 . 1 1 8 LEU O O -8.142 11.144 -0.808 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 19 . 3000 . 1 1 9 LEU C C -5.828 13.764 -2.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 19 . 3001 . 1 1 9 LEU CA C -6.120 13.019 -1.093 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 19 . 3002 . 1 1 9 LEU CB C -5.177 13.503 0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 19 . 3003 . 1 1 9 LEU CD1 C -6.232 12.016 1.729 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 19 . 3004 . 1 1 9 LEU CD2 C -4.635 13.805 2.438 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 19 . 3005 . 1 1 9 LEU CG C -5.714 13.416 1.438 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 19 . 3006 . 1 1 9 LEU H H -5.111 11.209 -1.525 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 19 . 3007 . 1 1 9 LEU HA H -7.139 13.220 -0.798 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 19 . 3008 . 1 1 9 LEU HB2 H -4.277 12.910 -0.042 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 3009 . 1 1 9 LEU HB3 H -4.937 14.537 -0.193 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 19 . 3010 . 1 1 9 LEU HD11 H -7.169 11.865 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 19 . 3011 . 1 1 9 LEU HD12 H -6.384 11.902 2.792 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 19 . 3012 . 1 1 9 LEU HD13 H -5.511 11.287 1.389 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 19 . 3013 . 1 1 9 LEU HD21 H -4.843 13.340 3.390 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 19 . 3014 . 1 1 9 LEU HD22 H -4.625 14.879 2.557 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 19 . 3015 . 1 1 9 LEU HD23 H -3.673 13.474 2.077 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 19 . 3016 . 1 1 9 LEU HG H -6.539 14.106 1.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 19 . 3017 . 1 1 9 LEU N N -5.984 11.578 -1.277 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 19 . 3018 . 1 1 9 LEU O O -5.489 14.924 -2.439 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 19 . 3019 . 1 1 10 ABA C C -6.701 14.765 -5.133 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 19 . 3020 . 1 1 10 ABA CA C -5.724 13.635 -4.882 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 19 . 3021 . 1 1 10 ABA H H -6.270 12.032 -3.438 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 19 . 3022 . 1 1 10 ABA N N -5.972 13.036 -3.558 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 19 . 3023 . 1 1 10 ABA O O -6.237 15.883 -5.358 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 19 . 3024 . 1 1 11 PRO C C -9.082 16.590 -4.220 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 19 . 3025 . 1 1 11 PRO CA C -9.016 15.578 -5.359 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 19 . 3026 . 1 1 11 PRO CB C -10.331 14.802 -5.461 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 19 . 3027 . 1 1 11 PRO CD C -8.644 13.221 -4.854 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 19 . 3028 . 1 1 11 PRO CG C -10.099 13.557 -4.676 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 19 . 3029 . 1 1 11 PRO HA H -8.828 16.095 -6.288 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 19 . 3030 . 1 1 11 PRO HB2 H -11.134 15.392 -5.040 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 3031 . 1 1 11 PRO HB3 H -10.544 14.581 -6.496 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 19 . 3032 . 1 1 11 PRO HD2 H -8.247 12.777 -3.954 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 19 . 3033 . 1 1 11 PRO HD3 H -8.511 12.556 -5.695 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 19 . 3034 . 1 1 11 PRO HG2 H -10.318 13.734 -3.634 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 19 . 3035 . 1 1 11 PRO HG3 H -10.718 12.760 -5.061 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 19 . 3036 . 1 1 11 PRO N N -8.021 14.529 -5.115 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 19 . 3037 . 1 1 11 PRO O O -9.554 17.699 -4.332 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 19 . 3038 . 1 1 12 DCL C C -7.486 18.126 -1.993 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 19 . 3039 . 1 1 12 DCL CA C -8.549 17.043 -1.816 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 19 . 3040 . 1 1 12 DCL CB C -8.224 16.203 -0.572 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 19 . 3041 . 1 1 12 DCL CD1 C -10.488 16.405 0.460 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 19 . 3042 . 1 1 12 DCL CD2 C -9.064 14.456 1.056 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 19 . 3043 . 1 1 12 DCL CG C -9.445 15.419 -0.070 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 19 . 3044 . 1 1 12 DCL HA H -9.547 17.518 -1.685 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 19 . 3045 . 1 1 12 DCL HB1 H -7.416 15.483 -0.826 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 19 . 3046 . 1 1 12 DCL HB2 H -7.875 16.880 0.237 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 19 . 3047 . 1 1 12 DCL HC1 H -6.538 17.838 -1.490 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 19 . 3048 . 1 1 12 DCL HC2 H -7.290 18.319 -3.070 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 19 . 3049 . 1 1 12 DCL HD11 H -10.907 16.025 1.416 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 19 . 3050 . 1 1 12 DCL HD12 H -10.010 17.394 0.632 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 19 . 3051 . 1 1 12 DCL HD13 H -11.306 16.514 -0.285 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 19 . 3052 . 1 1 12 DCL HD21 H -8.355 14.957 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 19 . 3053 . 1 1 12 DCL HD22 H -9.979 14.158 1.613 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 19 . 3054 . 1 1 12 DCL HD23 H -8.583 13.553 0.623 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 19 . 3055 . 1 1 12 DCL HG H -9.856 14.828 -0.915 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 19 . 3056 . 1 1 12 DCL HN1 H -8.169 15.203 -2.996 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 19 . 3057 . 1 1 12 DCL HXT H -8.037 20.169 -1.974 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 19 . 3058 . 1 1 12 DCL N N -8.561 16.181 -3.010 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 19 . 3059 . 1 1 12 DCL OXT O -7.944 19.335 -1.407 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 1 . 20 . 3060 . 1 1 1 ACE C C 1.428 2.052 1.184 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34065_5mf3 1 . 20 . 3061 . 1 1 1 ACE CH3 C 1.050 0.611 1.182 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34065_5mf3 1 . 20 . 3062 . 1 1 1 ACE H1 H 0.753 0.311 2.188 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34065_5mf3 1 . 20 . 3063 . 1 1 1 ACE H2 H 0.218 0.454 0.496 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34065_5mf3 1 . 20 . 3064 . 1 1 1 ACE H3 H 1.903 0.012 0.862 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34065_5mf3 1 . 20 . 3065 . 1 1 1 ACE O O 2.044 2.606 2.066 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34065_5mf3 1 . 20 . 3066 . 1 1 2 ABA C C 0.763 4.707 -1.397 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34065_5mf3 1 . 20 . 3067 . 1 1 2 ABA CA C 1.314 4.201 -0.081 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34065_5mf3 1 . 20 . 3068 . 1 1 2 ABA H H 0.489 2.215 -0.654 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34065_5mf3 1 . 20 . 3069 . 1 1 2 ABA N N 1.020 2.764 0.072 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34065_5mf3 1 . 20 . 3070 . 1 1 2 ABA O O 0.461 5.898 -1.453 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34065_5mf3 1 . 20 . 3071 . 1 1 3 ASN C C -1.393 4.559 -3.643 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34065_5mf3 1 . 20 . 3072 . 1 1 3 ASN CA C 0.114 4.332 -3.713 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34065_5mf3 1 . 20 . 3073 . 1 1 3 ASN CB C 0.437 3.312 -4.806 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34065_5mf3 1 . 20 . 3074 . 1 1 3 ASN CG C 1.875 3.405 -5.277 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34065_5mf3 1 . 20 . 3075 . 1 1 3 ASN H H 0.890 2.938 -2.322 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34065_5mf3 1 . 20 . 3076 . 1 1 3 ASN HA H 0.596 5.268 -3.952 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34065_5mf3 1 . 20 . 3077 . 1 1 3 ASN HB2 H 0.268 2.316 -4.422 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3078 . 1 1 3 ASN HB3 H -0.212 3.482 -5.652 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34065_5mf3 1 . 20 . 3079 . 1 1 3 ASN HD21 H 1.291 3.255 -7.172 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34065_5mf3 1 . 20 . 3080 . 1 1 3 ASN HD22 H 2.993 3.408 -6.921 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34065_5mf3 1 . 20 . 3081 . 1 1 3 ASN N N 0.632 3.878 -2.428 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34065_5mf3 1 . 20 . 3082 . 1 1 3 ASN ND2 N 2.073 3.351 -6.589 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34065_5mf3 1 . 20 . 3083 . 1 1 3 ASN O O -1.966 5.254 -4.482 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34065_5mf3 1 . 20 . 3084 . 1 1 3 ASN OD1 O 2.798 3.524 -4.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3085 . 1 1 4 ILE C C -3.805 5.387 -1.693 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34065_5mf3 1 . 20 . 3086 . 1 1 4 ILE CA C -3.468 4.109 -2.454 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34065_5mf3 1 . 20 . 3087 . 1 1 4 ILE CB C -4.060 2.904 -1.700 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34065_5mf3 1 . 20 . 3088 . 1 1 4 ILE CD1 C -4.096 0.360 -1.624 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3089 . 1 1 4 ILE CG1 C -3.569 1.595 -2.321 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 20 . 3090 . 1 1 4 ILE CG2 C -5.580 2.965 -1.713 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 20 . 3091 . 1 1 4 ILE H H -1.517 3.429 -1.998 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34065_5mf3 1 . 20 . 3092 . 1 1 4 ILE HA H -3.924 4.155 -3.433 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34065_5mf3 1 . 20 . 3093 . 1 1 4 ILE HB H -3.730 2.953 -0.674 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34065_5mf3 1 . 20 . 3094 . 1 1 4 ILE HD11 H -3.272 -0.290 -1.370 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 20 . 3095 . 1 1 4 ILE HD12 H -4.618 0.649 -0.725 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 20 . 3096 . 1 1 4 ILE HD13 H -4.775 -0.163 -2.282 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 20 . 3097 . 1 1 4 ILE HG12 H -3.883 1.552 -3.352 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 20 . 3098 . 1 1 4 ILE HG13 H -2.490 1.566 -2.277 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 20 . 3099 . 1 1 4 ILE HG21 H -5.948 2.993 -0.698 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 20 . 3100 . 1 1 4 ILE HG22 H -5.899 3.855 -2.235 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 20 . 3101 . 1 1 4 ILE HG23 H -5.972 2.093 -2.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 20 . 3102 . 1 1 4 ILE N N -2.028 3.970 -2.635 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34065_5mf3 1 . 20 . 3103 . 1 1 4 ILE O O -4.881 5.959 -1.867 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34065_5mf3 1 . 20 . 3104 . 1 1 5 ILE C C -2.932 8.287 -0.931 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34065_5mf3 1 . 20 . 3105 . 1 1 5 ILE CA C -3.076 7.040 -0.065 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34065_5mf3 1 . 20 . 3106 . 1 1 5 ILE CB C -2.077 7.123 1.104 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34065_5mf3 1 . 20 . 3107 . 1 1 5 ILE CD1 C -1.387 6.005 3.284 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3108 . 1 1 5 ILE CG1 C -2.345 6.005 2.113 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34065_5mf3 1 . 20 . 3109 . 1 1 5 ILE CG2 C -2.162 8.484 1.779 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34065_5mf3 1 . 20 . 3110 . 1 1 5 ILE H H -2.041 5.329 -0.755 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34065_5mf3 1 . 20 . 3111 . 1 1 5 ILE HA H -4.076 7.013 0.344 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34065_5mf3 1 . 20 . 3112 . 1 1 5 ILE HB H -1.080 7.007 0.706 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34065_5mf3 1 . 20 . 3113 . 1 1 5 ILE HD11 H -1.873 6.434 4.148 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34065_5mf3 1 . 20 . 3114 . 1 1 5 ILE HD12 H -1.088 4.991 3.505 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34065_5mf3 1 . 20 . 3115 . 1 1 5 ILE HD13 H -0.514 6.591 3.035 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34065_5mf3 1 . 20 . 3116 . 1 1 5 ILE HG12 H -3.345 6.112 2.503 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34065_5mf3 1 . 20 . 3117 . 1 1 5 ILE HG13 H -2.259 5.051 1.613 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34065_5mf3 1 . 20 . 3118 . 1 1 5 ILE HG21 H -1.846 9.250 1.085 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34065_5mf3 1 . 20 . 3119 . 1 1 5 ILE HG22 H -3.181 8.672 2.081 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34065_5mf3 1 . 20 . 3120 . 1 1 5 ILE HG23 H -1.520 8.497 2.646 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34065_5mf3 1 . 20 . 3121 . 1 1 5 ILE N N -2.878 5.829 -0.850 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34065_5mf3 1 . 20 . 3122 . 1 1 5 ILE O O -3.455 9.348 -0.675 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34065_5mf3 1 . 20 . 3123 . 1 1 6 ABA C C -3.256 9.757 -3.554 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34065_5mf3 1 . 20 . 3124 . 1 1 6 ABA CA C -1.933 9.280 -2.992 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34065_5mf3 1 . 20 . 3125 . 1 1 6 ABA H H -1.731 7.201 -2.223 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34065_5mf3 1 . 20 . 3126 . 1 1 6 ABA N N -2.154 8.155 -2.065 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34065_5mf3 1 . 20 . 3127 . 1 1 6 ABA O O -3.588 10.921 -3.327 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34065_5mf3 1 . 20 . 3128 . 1 1 7 PRO C C -6.375 9.543 -3.794 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34065_5mf3 1 . 20 . 3129 . 1 1 7 PRO CA C -5.303 9.328 -4.857 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34065_5mf3 1 . 20 . 3130 . 1 1 7 PRO CB C -5.673 8.149 -5.759 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34065_5mf3 1 . 20 . 3131 . 1 1 7 PRO CD C -3.685 7.524 -4.588 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34065_5mf3 1 . 20 . 3132 . 1 1 7 PRO CG C -4.962 6.981 -5.166 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34065_5mf3 1 . 20 . 3133 . 1 1 7 PRO HA H -5.206 10.223 -5.453 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34065_5mf3 1 . 20 . 3134 . 1 1 7 PRO HB2 H -6.745 8.006 -5.749 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3135 . 1 1 7 PRO HB3 H -5.339 8.343 -6.767 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 20 . 3136 . 1 1 7 PRO HD2 H -3.416 6.984 -3.692 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 20 . 3137 . 1 1 7 PRO HD3 H -2.888 7.470 -5.316 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 20 . 3138 . 1 1 7 PRO HG2 H -5.567 6.539 -4.389 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 20 . 3139 . 1 1 7 PRO HG3 H -4.746 6.254 -5.935 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 20 . 3140 . 1 1 7 PRO N N -4.018 8.924 -4.278 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34065_5mf3 1 . 20 . 3141 . 1 1 7 PRO O O -7.421 10.135 -4.062 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34065_5mf3 1 . 20 . 3142 . 1 1 8 LEU C C -7.351 10.666 -1.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34065_5mf3 1 . 20 . 3143 . 1 1 8 LEU CA C -7.052 9.196 -1.481 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34065_5mf3 1 . 20 . 3144 . 1 1 8 LEU CB C -6.494 8.529 -0.222 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34065_5mf3 1 . 20 . 3145 . 1 1 8 LEU CD1 C -6.703 6.860 1.636 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3146 . 1 1 8 LEU CD2 C -8.758 7.752 0.524 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 20 . 3147 . 1 1 8 LEU CG C -7.303 7.354 0.328 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34065_5mf3 1 . 20 . 3148 . 1 1 8 LEU H H -5.260 8.595 -2.432 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34065_5mf3 1 . 20 . 3149 . 1 1 8 LEU HA H -7.969 8.702 -1.764 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34065_5mf3 1 . 20 . 3150 . 1 1 8 LEU HB2 H -5.503 8.170 -0.450 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3151 . 1 1 8 LEU HB3 H -6.434 9.282 0.551 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 20 . 3152 . 1 1 8 LEU HD11 H -7.377 6.154 2.097 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 20 . 3153 . 1 1 8 LEU HD12 H -6.550 7.697 2.300 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 20 . 3154 . 1 1 8 LEU HD13 H -5.756 6.379 1.439 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 20 . 3155 . 1 1 8 LEU HD21 H -9.266 7.737 -0.429 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 20 . 3156 . 1 1 8 LEU HD22 H -8.806 8.748 0.941 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 20 . 3157 . 1 1 8 LEU HD23 H -9.235 7.056 1.197 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 20 . 3158 . 1 1 8 LEU HG H -7.270 6.539 -0.382 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34065_5mf3 1 . 20 . 3159 . 1 1 8 LEU N N -6.109 9.057 -2.586 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34065_5mf3 1 . 20 . 3160 . 1 1 8 LEU O O -8.502 11.046 -0.983 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34065_5mf3 1 . 20 . 3161 . 1 1 9 LEU C C -6.038 13.731 -2.183 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34065_5mf3 1 . 20 . 3162 . 1 1 9 LEU CA C -6.459 12.918 -0.963 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34065_5mf3 1 . 20 . 3163 . 1 1 9 LEU CB C -5.628 13.334 0.252 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34065_5mf3 1 . 20 . 3164 . 1 1 9 LEU CD1 C -3.444 14.512 0.608 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3165 . 1 1 9 LEU CD2 C -3.565 12.022 0.807 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34065_5mf3 1 . 20 . 3166 . 1 1 9 LEU CG C -4.110 13.247 0.088 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34065_5mf3 1 . 20 . 3167 . 1 1 9 LEU H H -5.416 11.128 -1.394 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34065_5mf3 1 . 20 . 3168 . 1 1 9 LEU HA H -7.501 13.111 -0.759 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34065_5mf3 1 . 20 . 3169 . 1 1 9 LEU HB2 H -5.877 14.357 0.488 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3170 . 1 1 9 LEU HB3 H -5.910 12.696 1.078 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34065_5mf3 1 . 20 . 3171 . 1 1 9 LEU HD11 H -2.372 14.396 0.568 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34065_5mf3 1 . 20 . 3172 . 1 1 9 LEU HD12 H -3.750 14.686 1.629 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34065_5mf3 1 . 20 . 3173 . 1 1 9 LEU HD13 H -3.739 15.351 -0.004 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34065_5mf3 1 . 20 . 3174 . 1 1 9 LEU HD21 H -4.322 11.251 0.828 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34065_5mf3 1 . 20 . 3175 . 1 1 9 LEU HD22 H -3.295 12.288 1.819 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34065_5mf3 1 . 20 . 3176 . 1 1 9 LEU HD23 H -2.693 11.656 0.286 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34065_5mf3 1 . 20 . 3177 . 1 1 9 LEU HG H -3.872 13.153 -0.962 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34065_5mf3 1 . 20 . 3178 . 1 1 9 LEU N N -6.308 11.489 -1.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34065_5mf3 1 . 20 . 3179 . 1 1 9 LEU O O -5.692 14.889 -2.132 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34065_5mf3 1 . 20 . 3180 . 1 1 10 ABA C C -6.635 14.892 -4.936 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34065_5mf3 1 . 20 . 3181 . 1 1 10 ABA CA C -5.693 13.740 -4.655 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34065_5mf3 1 . 20 . 3182 . 1 1 10 ABA H H -6.383 12.065 -3.363 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34065_5mf3 1 . 20 . 3183 . 1 1 10 ABA N N -6.071 13.071 -3.397 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34065_5mf3 1 . 20 . 3184 . 1 1 10 ABA O O -6.146 16.016 -5.053 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34065_5mf3 1 . 20 . 3185 . 1 1 11 PRO C C -9.083 16.690 -4.154 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34065_5mf3 1 . 20 . 3186 . 1 1 11 PRO CA C -8.914 15.740 -5.335 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34065_5mf3 1 . 20 . 3187 . 1 1 11 PRO CB C -10.218 14.984 -5.605 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34065_5mf3 1 . 20 . 3188 . 1 1 11 PRO CD C -8.604 13.355 -4.929 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34065_5mf3 1 . 20 . 3189 . 1 1 11 PRO CG C -10.068 13.697 -4.871 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34065_5mf3 1 . 20 . 3190 . 1 1 11 PRO HA H -8.635 16.305 -6.213 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34065_5mf3 1 . 20 . 3191 . 1 1 11 PRO HB2 H -11.053 15.559 -5.230 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3192 . 1 1 11 PRO HB3 H -10.331 14.823 -6.666 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34065_5mf3 1 . 20 . 3193 . 1 1 11 PRO HD2 H -8.297 12.859 -4.020 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34065_5mf3 1 . 20 . 3194 . 1 1 11 PRO HD3 H -8.395 12.736 -5.789 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34065_5mf3 1 . 20 . 3195 . 1 1 11 PRO HG2 H -10.385 13.818 -3.847 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34065_5mf3 1 . 20 . 3196 . 1 1 11 PRO HG3 H -10.651 12.928 -5.357 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34065_5mf3 1 . 20 . 3197 . 1 1 11 PRO N N -7.952 14.669 -5.056 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34065_5mf3 1 . 20 . 3198 . 1 1 11 PRO O O -9.619 17.772 -4.232 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34065_5mf3 1 . 20 . 3199 . 1 1 12 DCL C C -7.706 18.238 -1.820 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34065_5mf3 1 . 20 . 3200 . 1 1 12 DCL CA C -8.666 17.055 -1.712 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34065_5mf3 1 . 20 . 3201 . 1 1 12 DCL CB C -8.283 16.189 -0.502 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34065_5mf3 1 . 20 . 3202 . 1 1 12 DCL CD1 C -10.531 16.251 0.580 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34065_5mf3 1 . 20 . 3203 . 1 1 12 DCL CD2 C -9.013 14.343 1.068 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34065_5mf3 1 . 20 . 3204 . 1 1 12 DCL CG C -9.458 15.334 -0.009 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34065_5mf3 1 . 20 . 3205 . 1 1 12 DCL HA H -9.706 17.430 -1.578 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34065_5mf3 1 . 20 . 3206 . 1 1 12 DCL HB1 H -7.447 15.517 -0.793 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34065_5mf3 1 . 20 . 3207 . 1 1 12 DCL HB2 H -7.952 16.855 0.324 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34065_5mf3 1 . 20 . 3208 . 1 1 12 DCL HC1 H -6.781 18.054 -1.231 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34065_5mf3 1 . 20 . 3209 . 1 1 12 DCL HC2 H -7.436 18.437 -2.879 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34065_5mf3 1 . 20 . 3210 . 1 1 12 DCL HD11 H -10.049 17.150 1.021 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34065_5mf3 1 . 20 . 3211 . 1 1 12 DCL HD12 H -11.233 16.563 -0.223 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34065_5mf3 1 . 20 . 3212 . 1 1 12 DCL HD13 H -11.091 15.706 1.371 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34065_5mf3 1 . 20 . 3213 . 1 1 12 DCL HD21 H -9.397 14.674 2.057 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34065_5mf3 1 . 20 . 3214 . 1 1 12 DCL HD22 H -9.417 13.334 0.832 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34065_5mf3 1 . 20 . 3215 . 1 1 12 DCL HD23 H -7.903 14.302 1.097 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34065_5mf3 1 . 20 . 3216 . 1 1 12 DCL HG H -9.862 14.760 -0.871 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34065_5mf3 1 . 20 . 3217 . 1 1 12 DCL HN1 H -8.131 15.301 -2.962 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34065_5mf3 1 . 20 . 3218 . 1 1 12 DCL HXT H -8.457 20.214 -1.891 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34065_5mf3 1 . 20 . 3219 . 1 1 12 DCL N N -8.582 16.253 -2.945 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34065_5mf3 1 . 20 . 3220 . 1 1 12 DCL OXT O -8.331 19.401 -1.301 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34065_5mf3 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 c34065_5mf3 _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 5mf3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34065_5mf3 1 1 5mf3.mr . . DYANA/DIANA 2 distance NOE simple 148 c34065_5mf3 1 1 5mf3.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 2 c34065_5mf3 1 1 5mf3.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34065_5mf3 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c34065_5mf3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c34065_5mf3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 4.89 . . . . . A . 4 ILE H . . A . 3 ASN HB2 . . . 4 ILE HN . . . . . 3 ASN QB . . c34065_5mf3 1 1 2 OR . 1 1 3 3 ASN HB3 H . . . 1 1 4 4 ILE H H . . . . . . . 4.89 . . . . . A . 3 ASN HB3 . . A . 4 ILE H . . . 3 ASN QB . . . . . 4 ILE HN . . c34065_5mf3 1 2 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HB H . . . . . . . 3.02 . . . . . A . 4 ILE HA . . A . 4 ILE HB . . . 4 ILE HA . . . . . 4 ILE HB . . c34065_5mf3 1 3 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.99 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . . . 8 LEU HA . . . . . 8 LEU HB2 . . c34065_5mf3 1 4 1 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 3.78 . . . . . A . 9 LEU H . . A . 9 LEU HB2 . . . 9 LEU HN . . . . . 9 LEU QB . . c34065_5mf3 1 4 2 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.78 . . . . . A . 9 LEU H . . A . 9 LEU HB3 . . . 9 LEU HN . . . . . 9 LEU QB . . c34065_5mf3 1 5 1 . . 1 1 9 9 LEU HA H . . . 1 1 10 10 ABA H H . . . . . . . 3.36 . . . . . A . 9 LEU HA . . A . 10 AIB H . . . 9 LEU HA . . . . . 10 AIB HN . . c34065_5mf3 1 6 1 . . 1 1 4 4 ILE HA H . . . 1 1 6 6 ABA H H . . . . . . . 4.91 . . . . . A . 4 ILE HA . . A . 6 AIB H . . . 4 ILE HA . . . . . 6 AIB HN . . c34065_5mf3 1 7 1 . . 1 1 6 6 ABA H H . . . 1 1 3 3 ASN HA H . . . . . . . 3.86 . . . . . A . 6 AIB H . . A . 3 ASN HA . . . 6 AIB HN . . . . . 3 ASN HA . . c34065_5mf3 1 8 1 . . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE H H . . . . . . . 2.96 . . . . . A . 6 AIB H . . A . 5 ILE H . . . 6 AIB HN . . . . . 5 ILE HN . . c34065_5mf3 1 9 1 . . 1 1 4 4 ILE H H . . . 1 1 6 6 ABA H H . . . . . . . 3.92 . . . . . A . 4 ILE H . . A . 6 AIB H . . . 4 ILE HN . . . . . 6 AIB HN . . c34065_5mf3 1 10 1 . . 1 1 5 5 ILE H H . . . 1 1 3 3 ASN H H . . . . . . . 4.07 . . . . . A . 5 ILE H . . A . 3 ASN H . . . 5 ILE HN . . . . . 3 ASN HN . . c34065_5mf3 1 11 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN H H . . . . . . . 3.08 . . . . . A . 4 ILE H . . A . 3 ASN H . . . 4 ILE HN . . . . . 3 ASN HN . . c34065_5mf3 1 12 1 . . 1 1 4 4 ILE H H . . . 1 1 5 5 ILE H H . . . . . . . 2.80 . . . . . A . 4 ILE H . . A . 5 ILE H . . . 4 ILE HN . . . . . 5 ILE HN . . c34065_5mf3 1 13 1 OR . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 4.68 . . . . . A . 10 AIB H . . A . 9 LEU HB2 . . . 10 AIB HN . . . . . 9 LEU QB . . c34065_5mf3 1 13 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 ABA H H . . . . . . . 4.68 . . . . . A . 9 LEU HB3 . . A . 10 AIB H . . . 9 LEU QB . . . . . 10 AIB HN . . c34065_5mf3 1 14 1 . . 1 1 8 8 LEU HA H . . . 1 1 10 10 ABA H H . . . . . . . 4.42 . . . . . A . 8 LEU HA . . A . 10 AIB H . . . 8 LEU HA . . . . . 10 AIB HN . . c34065_5mf3 1 15 1 . . 1 1 3 3 ASN HA H . . . 1 1 5 5 ILE H H . . . . . . . 4.11 . . . . . A . 3 ASN HA . . A . 5 ILE H . . . 3 ASN HA . . . . . 5 ILE HN . . c34065_5mf3 1 16 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 LEU H H . . . . . . . 2.93 . . . . . A . 8 LEU H . . A . 9 LEU H . . . 8 LEU HN . . . . . 9 LEU HN . . c34065_5mf3 1 17 1 . . 1 1 9 9 LEU H H . . . 1 1 10 10 ABA H H . . . . . . . 2.99 . . . . . A . 9 LEU H . . A . 10 AIB H . . . 9 LEU HN . . . . . 10 AIB HN . . c34065_5mf3 1 18 1 . . 1 1 8 8 LEU H H . . . 1 1 6 6 ABA H H . . . . . . . 3.39 . . . . . A . 8 LEU H . . A . 6 AIB H . . . 8 LEU HN . . . . . 6 AIB HN . . c34065_5mf3 1 19 1 OR . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 3.99 . . . . . A . 3 ASN H . . A . 3 ASN HB2 . . . 3 ASN HN . . . . . 3 ASN QB . . c34065_5mf3 1 19 2 OR . 1 1 3 3 ASN HB3 H . . . 1 1 3 3 ASN H H . . . . . . . 3.99 . . . . . A . 3 ASN HB3 . . A . 3 ASN H . . . 3 ASN QB . . . . . 3 ASN HN . . c34065_5mf3 1 20 1 . . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE HB H . . . . . . . 2.96 . . . . . A . 6 AIB H . . A . 5 ILE HB . . . 6 AIB HN . . . . . 5 ILE HB . . c34065_5mf3 1 21 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HB H . . . . . . . 2.74 . . . . . A . 4 ILE H . . A . 4 ILE HB . . . 4 ILE HN . . . . . 4 ILE HB . . c34065_5mf3 1 22 1 . . 1 1 4 4 ILE HB H . . . 1 1 5 5 ILE H H . . . . . . . 3.14 . . . . . A . 4 ILE HB . . A . 5 ILE H . . . 4 ILE HB . . . . . 5 ILE HN . . c34065_5mf3 1 23 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HB H . . . . . . . 2.86 . . . . . A . 5 ILE H . . A . 5 ILE HB . . . 5 ILE HN . . . . . 5 ILE HB . . c34065_5mf3 1 24 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.90 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 LEU HN . . . . . 8 LEU HB2 . . c34065_5mf3 1 25 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 3.76 . . . . . A . 9 LEU H . . A . 8 LEU HB3 . . . 9 LEU HN . . . . . 8 LEU HB2 . . c34065_5mf3 1 26 1 . . 1 1 4 4 ILE H H . . . 1 1 2 2 ABA H H . . . . . . . 5.04 . . . . . A . 4 ILE H . . A . 2 AIB H . . . 4 ILE HN . . . . . 2 AIB HN . . c34065_5mf3 1 27 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG13 H . . . . . . . 3.79 . . . . . A . 4 ILE HA . . A . 4 ILE HG13 . . . 4 ILE HA . . . . . 4 ILE HG12 . . c34065_5mf3 1 28 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.52 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 ILE HN . . . . . 5 ILE HG12 . . c34065_5mf3 1 29 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.73 . . . . . A . 5 ILE HA . . A . 5 ILE HG13 . . . 5 ILE HA . . . . . 5 ILE HG12 . . c34065_5mf3 1 30 1 . . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.60 . . . . . A . 8 LEU H . . A . 7 PRO HD3 . . . 8 LEU HN . . . . . 7 PRO HD2 . . c34065_5mf3 1 31 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HD22 H . . . . . . . 5.50 . . . . . A . 3 ASN H . . A . 3 ASN HD22 . . . 3 ASN HN . . . . . 3 ASN HD22 . . c34065_5mf3 1 32 1 . . 1 1 5 5 ILE H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 5.50 . . . . . A . 5 ILE H . . A . 7 PRO HD3 . . . 5 ILE HN . . . . . 7 PRO HD2 . . c34065_5mf3 1 33 1 . . 1 1 9 9 LEU H H . . . 1 1 11 11 PRO HD3 H . . . . . . . 5.50 . . . . . A . 9 LEU H . . A . 11 PRO HD3 . . . 9 LEU HN . . . . . 11 PRO HD2 . . c34065_5mf3 1 34 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HD21 H . . . . . . . 5.50 . . . . . A . 3 ASN H . . A . 3 ASN HD21 . . . 3 ASN HN . . . . . 3 ASN HD21 . . c34065_5mf3 1 35 1 . . 1 1 10 10 ABA H H . . . 1 1 11 11 PRO HD3 H . . . . . . . 4.20 . . . . . A . 10 AIB H . . A . 11 PRO HD3 . . . 10 AIB HN . . . . . 11 PRO HD2 . . c34065_5mf3 1 36 1 . . 1 1 6 6 ABA H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 3.83 . . . . . A . 6 AIB H . . A . 7 PRO HD3 . . . 6 AIB HN . . . . . 7 PRO HD2 . . c34065_5mf3 1 37 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . . . 3.36 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 LEU HN . . . . . 8 LEU HG . . c34065_5mf3 1 38 1 . . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 5.50 . . . . . A . 6 AIB H . . A . 5 ILE HG13 . . . 6 AIB HN . . . . . 5 ILE HG12 . . c34065_5mf3 1 39 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . . . 3.86 . . . . . A . 4 ILE H . . A . 4 ILE HG13 . . . 4 ILE HN . . . . . 4 ILE HG12 . . c34065_5mf3 1 40 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HG H . . . . . . . 5.25 . . . . . A . 9 LEU H . . A . 8 LEU HG . . . 9 LEU HN . . . . . 8 LEU HG . . c34065_5mf3 1 41 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HG2 H . . . . . . . 5.61 . . . . . A . 8 LEU H . . A . 7 PRO HG2 . . . 8 LEU HN . . . . . 7 PRO QG . . c34065_5mf3 1 41 2 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HG3 H . . . . . . . 5.61 . . . . . A . 8 LEU H . . A . 7 PRO HG3 . . . 8 LEU HN . . . . . 7 PRO QG . . c34065_5mf3 1 42 1 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 PRO HG2 H . . . . . . . 6.39 . . . . . A . 4 ILE HA . . A . 7 PRO HG2 . . . 4 ILE HA . . . . . 7 PRO QG . . c34065_5mf3 1 42 2 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 PRO HG3 H . . . . . . . 6.39 . . . . . A . 4 ILE HA . . A . 7 PRO HG3 . . . 4 ILE HA . . . . . 7 PRO QG . . c34065_5mf3 1 43 1 . . 1 1 5 5 ILE HA H . . . 1 1 8 8 LEU HG H . . . . . . . 3.42 . . . . . A . 5 ILE HA . . A . 8 LEU HG . . . 5 ILE HA . . . . . 8 LEU HG . . c34065_5mf3 1 44 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HG H . . . . . . . 2.80 . . . . . A . 8 LEU HA . . A . 8 LEU HG . . . 8 LEU HA . . . . . 8 LEU HG . . c34065_5mf3 1 45 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MD H . . . . . . . 6.37 . . . . . A . 4 ILE H . . A . 4 ILE MD . . . 4 ILE HN . . . . . 4 ILE QD1 . . c34065_5mf3 1 46 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE MG H . . . . . . . 4.01 . . . . . A . 4 ILE HA . . A . 4 ILE MG . . . 4 ILE HA . . . . . 4 ILE QG2 . . c34065_5mf3 1 47 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE MD H . . . . . . . 4.94 . . . . . A . 4 ILE HA . . A . 4 ILE MD . . . 4 ILE HA . . . . . 4 ILE QD1 . . c34065_5mf3 1 48 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE MD H . . . . . . . 4.78 . . . . . A . 5 ILE HA . . A . 5 ILE MD . . . 5 ILE HA . . . . . 5 ILE QD1 . . c34065_5mf3 1 49 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE MG H . . . . . . . 4.04 . . . . . A . 5 ILE HA . . A . 5 ILE MG . . . 5 ILE HA . . . . . 5 ILE QG2 . . c34065_5mf3 1 50 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.81 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU HN . . . . . 9 LEU QD1 . . c34065_5mf3 1 51 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.53 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . c34065_5mf3 1 52 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.53 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QD1 . . c34065_5mf3 1 53 1 . . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE MD H . . . . . . . 6.12 . . . . . A . 6 AIB H . . A . 5 ILE MD . . . 6 AIB HN . . . . . 5 ILE QD1 . . c34065_5mf3 1 54 1 . . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE MG H . . . . . . . 5.31 . . . . . A . 6 AIB H . . A . 5 ILE MG . . . 6 AIB HN . . . . . 5 ILE QG2 . . c34065_5mf3 1 55 1 . . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 6.52 . . . . . A . 10 AIB H . . A . 9 LEU MD1 . . . 10 AIB HN . . . . . 9 LEU QD1 . . c34065_5mf3 1 56 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 5.90 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 LEU HN . . . . . 8 LEU QD2 . . c34065_5mf3 1 57 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 5.90 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 LEU HN . . . . . 8 LEU QD1 . . c34065_5mf3 1 58 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . . . 4.94 . . . . . A . 4 ILE H . . A . 4 ILE MG . . . 4 ILE HN . . . . . 4 ILE QG2 . . c34065_5mf3 1 59 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.81 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU HN . . . . . 9 LEU QD2 . . c34065_5mf3 1 60 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MG H . . . . . . . 4.88 . . . . . A . 5 ILE H . . A . 5 ILE MG . . . 5 ILE HN . . . . . 5 ILE QG2 . . c34065_5mf3 1 61 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MD H . . . . . . . 5.84 . . . . . A . 5 ILE H . . A . 5 ILE MD . . . 5 ILE HN . . . . . 5 ILE QD1 . . c34065_5mf3 1 62 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 ILE MG H . . . . . . . 5.74 . . . . . A . 5 ILE H . . A . 4 ILE MG . . . 5 ILE HN . . . . . 4 ILE QG2 . . c34065_5mf3 1 63 1 . . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.52 . . . . . A . 10 AIB H . . A . 9 LEU MD2 . . . 10 AIB HN . . . . . 9 LEU QD2 . . c34065_5mf3 1 64 1 OR . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . . . 3.31 . . . . . A . 4 ILE H . . A . 4 ILE HG13 . . . 4 ILE HN . . . . . 4 ILE QG1 . . c34065_5mf3 1 64 2 OR . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG12 H . . . . . . . 3.31 . . . . . A . 4 ILE H . . A . 4 ILE HG12 . . . 4 ILE HN . . . . . 4 ILE QG1 . . c34065_5mf3 1 65 1 OR . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG13 H . . . . . . . 3.27 . . . . . A . 4 ILE HA . . A . 4 ILE HG13 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c34065_5mf3 1 65 2 OR . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG12 H . . . . . . . 3.27 . . . . . A . 4 ILE HA . . A . 4 ILE HG12 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c34065_5mf3 1 66 1 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.23 . . . . . A . 4 ILE HA . . A . 7 PRO HD3 . . . 4 ILE HA . . . . . 7 PRO QD . . c34065_5mf3 1 66 2 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 PRO HD2 H . . . . . . . 4.23 . . . . . A . 4 ILE HA . . A . 7 PRO HD2 . . . 4 ILE HA . . . . . 7 PRO QD . . c34065_5mf3 1 67 1 OR . 1 1 5 5 ILE H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.75 . . . . . A . 5 ILE H . . A . 7 PRO HD3 . . . 5 ILE HN . . . . . 7 PRO QD . . c34065_5mf3 1 67 2 OR . 1 1 5 5 ILE H H . . . 1 1 7 7 PRO HD2 H . . . . . . . 4.75 . . . . . A . 5 ILE H . . A . 7 PRO HD2 . . . 5 ILE HN . . . . . 7 PRO QD . . c34065_5mf3 1 68 1 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG13 H . . . . . . . 2.85 . . . . . A . 5 ILE HA . . A . 5 ILE HG13 . . . 5 ILE HA . . . . . 5 ILE QG1 . . c34065_5mf3 1 68 2 OR . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . . . 2.85 . . . . . A . 5 ILE HA . . A . 5 ILE HG12 . . . 5 ILE HA . . . . . 5 ILE QG1 . . c34065_5mf3 1 69 1 OR . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.29 . . . . . A . 5 ILE HA . . A . 7 PRO HD3 . . . 5 ILE HA . . . . . 7 PRO QD . . c34065_5mf3 1 69 2 OR . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD2 H . . . . . . . 4.29 . . . . . A . 5 ILE HA . . A . 7 PRO HD2 . . . 5 ILE HA . . . . . 7 PRO QD . . c34065_5mf3 1 70 1 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LEU MD1 H . . . . . . . 4.74 . . . . . A . 5 ILE HA . . A . 8 LEU MD1 . . . 5 ILE HA . . . . . 8 LEU QQD . . c34065_5mf3 1 70 2 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LEU MD2 H . . . . . . . 4.74 . . . . . A . 5 ILE HA . . A . 8 LEU MD2 . . . 5 ILE HA . . . . . 8 LEU QQD . . c34065_5mf3 1 71 1 OR . 1 1 5 5 ILE MG H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.29 . . . . . A . 5 ILE MG . . A . 5 ILE HG13 . . . 5 ILE QG2 . . . . . 5 ILE QG1 . . c34065_5mf3 1 71 2 OR . 1 1 5 5 ILE MG H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.29 . . . . . A . 5 ILE MG . . A . 5 ILE HG12 . . . 5 ILE QG2 . . . . . 5 ILE QG1 . . c34065_5mf3 1 72 1 OR . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 4.78 . . . . . A . 6 AIB H . . A . 5 ILE HG13 . . . 6 AIB HN . . . . . 5 ILE QG1 . . c34065_5mf3 1 72 2 OR . 1 1 6 6 ABA H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 4.78 . . . . . A . 6 AIB H . . A . 5 ILE HG12 . . . 6 AIB HN . . . . . 5 ILE QG1 . . c34065_5mf3 1 73 1 OR . 1 1 6 6 ABA H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 3.34 . . . . . A . 6 AIB H . . A . 7 PRO HD3 . . . 6 AIB HN . . . . . 7 PRO QD . . c34065_5mf3 1 73 2 OR . 1 1 6 6 ABA H H . . . 1 1 7 7 PRO HD2 H . . . . . . . 3.34 . . . . . A . 6 AIB H . . A . 7 PRO HD2 . . . 6 AIB HN . . . . . 7 PRO QD . . c34065_5mf3 1 74 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HB2 H . . . . . . . 3.41 . . . . . A . 8 LEU H . . A . 7 PRO HB2 . . . 8 LEU HN . . . . . 7 PRO QB . . c34065_5mf3 1 74 2 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HB3 H . . . . . . . 3.41 . . . . . A . 8 LEU H . . A . 7 PRO HB3 . . . 8 LEU HN . . . . . 7 PRO QB . . c34065_5mf3 1 75 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 3.71 . . . . . A . 8 LEU H . . A . 7 PRO HD3 . . . 8 LEU HN . . . . . 7 PRO QD . . c34065_5mf3 1 75 2 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HD2 H . . . . . . . 3.71 . . . . . A . 8 LEU H . . A . 7 PRO HD2 . . . 8 LEU HN . . . . . 7 PRO QD . . c34065_5mf3 1 76 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 2.44 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 LEU HN . . . . . 8 LEU QB . . c34065_5mf3 1 76 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.44 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 LEU HN . . . . . 8 LEU QB . . c34065_5mf3 1 77 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 4.70 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 LEU HN . . . . . 8 LEU QQD . . c34065_5mf3 1 77 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 4.70 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 LEU HN . . . . . 8 LEU QQD . . c34065_5mf3 1 78 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB2 H . . . . . . . 2.52 . . . . . A . 8 LEU HA . . A . 8 LEU HB2 . . . 8 LEU HA . . . . . 8 LEU QB . . c34065_5mf3 1 78 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.52 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . . . 8 LEU HA . . . . . 8 LEU QB . . c34065_5mf3 1 79 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . . . 3.98 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . . . 8 LEU HA . . . . . 8 LEU QQD . . c34065_5mf3 1 79 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD2 H . . . . . . . 3.98 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . . . 8 LEU HA . . . . . 8 LEU QQD . . c34065_5mf3 1 80 1 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.16 . . . . . A . 9 LEU H . . A . 8 LEU HB2 . . . 9 LEU HN . . . . . 8 LEU QB . . c34065_5mf3 1 80 2 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 3.16 . . . . . A . 9 LEU H . . A . 8 LEU HB3 . . . 9 LEU HN . . . . . 8 LEU QB . . c34065_5mf3 1 81 1 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 6.18 . . . . . A . 9 LEU H . . A . 8 LEU MD1 . . . 9 LEU HN . . . . . 8 LEU QQD . . c34065_5mf3 1 81 2 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 6.18 . . . . . A . 9 LEU H . . A . 8 LEU MD2 . . . 9 LEU HN . . . . . 8 LEU QQD . . c34065_5mf3 1 82 1 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.59 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU HN . . . . . 9 LEU QQD . . c34065_5mf3 1 82 2 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.59 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU HN . . . . . 9 LEU QQD . . c34065_5mf3 1 83 1 OR . 1 1 9 9 LEU H H . . . 1 1 11 11 PRO HD3 H . . . . . . . 4.81 . . . . . A . 9 LEU H . . A . 11 PRO HD3 . . . 9 LEU HN . . . . . 11 PRO QD . . c34065_5mf3 1 83 2 OR . 1 1 9 9 LEU H H . . . 1 1 11 11 PRO HD2 H . . . . . . . 4.81 . . . . . A . 9 LEU H . . A . 11 PRO HD2 . . . 9 LEU HN . . . . . 11 PRO QD . . c34065_5mf3 1 84 1 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 3.81 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QQD . . c34065_5mf3 1 84 2 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 3.81 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QQD . . c34065_5mf3 1 85 1 OR . 1 1 9 9 LEU HA H . . . 1 1 11 11 PRO HD3 H . . . . . . . 4.58 . . . . . A . 9 LEU HA . . A . 11 PRO HD3 . . . 9 LEU HA . . . . . 11 PRO QD . . c34065_5mf3 1 85 2 OR . 1 1 9 9 LEU HA H . . . 1 1 11 11 PRO HD2 H . . . . . . . 4.58 . . . . . A . 9 LEU HA . . A . 11 PRO HD2 . . . 9 LEU HA . . . . . 11 PRO QD . . c34065_5mf3 1 86 1 OR . 1 1 9 9 LEU HB2 H . . . 1 1 11 11 PRO HD3 H . . . . . . . 6.16 . . . . . A . 9 LEU HB2 . . A . 11 PRO HD3 . . . 9 LEU QB . . . . . 11 PRO QD . . c34065_5mf3 1 86 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 11 11 PRO HD3 H . . . . . . . 6.16 . . . . . A . 9 LEU HB3 . . A . 11 PRO HD3 . . . 9 LEU QB . . . . . 11 PRO QD . . c34065_5mf3 1 86 3 OR . 1 1 11 11 PRO HD2 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 6.16 . . . . . A . 11 PRO HD2 . . A . 9 LEU HB2 . . . 11 PRO QD . . . . . 9 LEU QB . . c34065_5mf3 1 86 4 OR . 1 1 9 9 LEU HB3 H . . . 1 1 11 11 PRO HD2 H . . . . . . . 6.16 . . . . . A . 9 LEU HB3 . . A . 11 PRO HD2 . . . 9 LEU QB . . . . . 11 PRO QD . . c34065_5mf3 1 87 1 OR . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.43 . . . . . A . 10 AIB H . . A . 9 LEU MD1 . . . 10 AIB HN . . . . . 9 LEU QQD . . c34065_5mf3 1 87 2 OR . 1 1 10 10 ABA H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.43 . . . . . A . 10 AIB H . . A . 9 LEU MD2 . . . 10 AIB HN . . . . . 9 LEU QQD . . c34065_5mf3 1 88 1 OR . 1 1 10 10 ABA H H . . . 1 1 11 11 PRO HG2 H . . . . . . . 5.08 . . . . . A . 10 AIB H . . A . 11 PRO HG2 . . . 10 AIB HN . . . . . 11 PRO QG . . c34065_5mf3 1 88 2 OR . 1 1 10 10 ABA H H . . . 1 1 11 11 PRO HG3 H . . . . . . . 5.08 . . . . . A . 10 AIB H . . A . 11 PRO HG3 . . . 10 AIB HN . . . . . 11 PRO QG . . c34065_5mf3 1 89 1 OR . 1 1 10 10 ABA H H . . . 1 1 11 11 PRO HD3 H . . . . . . . 3.57 . . . . . A . 10 AIB H . . A . 11 PRO HD3 . . . 10 AIB HN . . . . . 11 PRO QD . . c34065_5mf3 1 89 2 OR . 1 1 10 10 ABA H H . . . 1 1 11 11 PRO HD2 H . . . . . . . 3.57 . . . . . A . 10 AIB H . . A . 11 PRO HD2 . . . 10 AIB HN . . . . . 11 PRO QD . . c34065_5mf3 1 90 1 OR . 1 1 12 12 DCL HG H . . . 1 1 11 11 PRO HD3 H . . . . . . . 3.88 . . . . . A . 12 DCL HG . . A . 11 PRO HD3 . . . 12 DCL HG . . . . . 11 PRO QD . . c34065_5mf3 1 90 2 OR . 1 1 12 12 DCL HG H . . . 1 1 11 11 PRO HD2 H . . . . . . . 3.88 . . . . . A . 12 DCL HG . . A . 11 PRO HD2 . . . 12 DCL HG . . . . . 11 PRO QD . . c34065_5mf3 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: 1_HarzSDS25H_mod.upl' 1 1 1 41 c34065_5mf3 1 2 'peak 11' 2 49 2 59 c34065_5mf3 1 3 'peak 17' 3 49 3 59 c34065_5mf3 1 4 'peak 113' 4 49 4 59 c34065_5mf3 1 5 'peak 117' 5 49 5 59 c34065_5mf3 1 6 'peak 118' 6 49 6 59 c34065_5mf3 1 7 'peak 131' 7 49 7 59 c34065_5mf3 1 8 'peak 255' 8 49 8 59 c34065_5mf3 1 9 'peak 173' 9 49 9 59 c34065_5mf3 1 10 'peak 175' 10 49 10 59 c34065_5mf3 1 11 'peak 193' 11 49 11 59 c34065_5mf3 1 12 'peak 266' 12 49 12 59 c34065_5mf3 1 13 'peak 239' 13 49 13 59 c34065_5mf3 1 14 'peak 238' 14 49 14 59 c34065_5mf3 1 15 'peak 237' 15 49 15 59 c34065_5mf3 1 16 'peak 235' 16 49 16 59 c34065_5mf3 1 17 'peak 207' 17 49 17 59 c34065_5mf3 1 18 'peak 208' 18 49 18 59 c34065_5mf3 1 19 'peak 214' 19 49 19 59 c34065_5mf3 1 20 'peak 216' 20 49 20 59 c34065_5mf3 1 21 'peak 219' 21 49 21 59 c34065_5mf3 1 22 'peak 253' 22 49 22 59 c34065_5mf3 1 23 'peak 228' 23 49 23 59 c34065_5mf3 1 24 'peak 232' 24 49 24 59 c34065_5mf3 1 25 'peak 233' 25 49 25 59 c34065_5mf3 1 26 'peak 240' 26 49 26 59 c34065_5mf3 1 27 'peak 261' 27 49 27 59 c34065_5mf3 1 28 'peak 7' 28 49 28 59 c34065_5mf3 1 29 'peak 271' 29 49 29 59 c34065_5mf3 1 30 'peak 274' 30 49 30 59 c34065_5mf3 1 31 'peak 275' 31 49 31 59 c34065_5mf3 1 32 'peak 276' 32 49 32 59 c34065_5mf3 1 33 'peak 282' 33 49 33 59 c34065_5mf3 1 34 'peak 296' 34 49 34 59 c34065_5mf3 1 35 'peak 302' 35 49 35 59 c34065_5mf3 1 36 'peak 321' 36 49 36 59 c34065_5mf3 1 37 'peak 14' 37 49 37 59 c34065_5mf3 1 38 'peak 32' 38 49 38 59 c34065_5mf3 1 39 'peak 33' 39 49 39 59 c34065_5mf3 1 40 'peak 332' 40 49 40 59 c34065_5mf3 1 41 'peak 61' 41 49 41 59 c34065_5mf3 1 42 'peak 44' 42 49 42 59 c34065_5mf3 1 43 'peak 259' 43 49 43 59 c34065_5mf3 1 44 'peak 258' 44 49 44 59 c34065_5mf3 1 45 'peak 245' 45 49 45 59 c34065_5mf3 1 46 'peak 178' 46 49 46 59 c34065_5mf3 1 47 'peak 204' 47 49 47 59 c34065_5mf3 1 48 'peak 248' 48 49 48 59 c34065_5mf3 1 49 'peak 224' 49 49 49 59 c34065_5mf3 1 50 'peak 229' 50 49 50 59 c34065_5mf3 1 51 'peak 230' 51 49 51 59 c34065_5mf3 1 52 'peak 234' 52 49 52 59 c34065_5mf3 1 53 'peak 247' 53 49 53 59 c34065_5mf3 1 54 'peak 268' 54 49 54 59 c34065_5mf3 1 55 'peak 269' 55 49 55 59 c34065_5mf3 1 56 'peak 273' 56 49 56 59 c34065_5mf3 1 57 'peak 278' 57 49 57 59 c34065_5mf3 1 58 'peak 280' 58 49 58 59 c34065_5mf3 1 59 'peak 287' 59 49 59 59 c34065_5mf3 1 60 'peak 291' 60 49 60 59 c34065_5mf3 1 61 'peak 299' 61 49 61 59 c34065_5mf3 1 62 'peak 344' 62 49 62 59 c34065_5mf3 1 63 'peak 375' 63 49 63 59 c34065_5mf3 1 64 'peak 383' 64 49 64 59 c34065_5mf3 1 65 'peak 379' 65 49 65 59 c34065_5mf3 1 66 'peak 348' 66 49 66 59 c34065_5mf3 1 67 'peak 20' 67 49 67 59 c34065_5mf3 1 68 'peak 31' 68 49 68 59 c34065_5mf3 1 69 'peak 42' 69 49 69 59 c34065_5mf3 1 70 'peak 43' 70 49 70 59 c34065_5mf3 1 71 'peak 71' 71 49 71 59 c34065_5mf3 1 72 'peak 289' 72 49 72 59 c34065_5mf3 1 73 'peak 74' 73 49 73 59 c34065_5mf3 1 74 'peak 75' 74 49 74 59 c34065_5mf3 1 75 'peak 76' 75 49 75 59 c34065_5mf3 1 76 'peak 305' 76 49 76 59 c34065_5mf3 1 77 'peak 135' 77 49 77 59 c34065_5mf3 1 78 'peak 136' 78 49 78 59 c34065_5mf3 1 79 'peak 142' 79 49 79 59 c34065_5mf3 1 80 'peak 191' 80 49 80 59 c34065_5mf3 1 81 'peak 192' 81 49 81 59 c34065_5mf3 1 82 'peak 206' 82 49 82 59 c34065_5mf3 1 83 'peak 215' 83 49 83 59 c34065_5mf3 1 84 'peak 217' 84 49 84 59 c34065_5mf3 1 85 'peak 221' 85 49 85 59 c34065_5mf3 1 86 'peak 226' 86 49 86 59 c34065_5mf3 1 87 'peak 277' 87 49 87 59 c34065_5mf3 1 88 'peak 281' 88 49 88 59 c34065_5mf3 1 89 'peak 292' 89 49 89 59 c34065_5mf3 1 90 'peak 293' 90 49 90 59 c34065_5mf3 1 91 'peak 15' 91 49 91 59 c34065_5mf3 1 92 'peak 300' 92 49 92 59 c34065_5mf3 1 93 'peak 132' 93 49 93 59 c34065_5mf3 1 94 'peak 315' 94 49 94 59 c34065_5mf3 1 95 'peak 360' 95 49 95 59 c34065_5mf3 1 96 'peak 317' 96 49 96 59 c34065_5mf3 1 97 'peak 365' 97 49 97 59 c34065_5mf3 1 98 'peak 322' 98 49 98 59 c34065_5mf3 1 99 'peak 323' 99 49 99 59 c34065_5mf3 1 100 'peak 329' 100 49 100 59 c34065_5mf3 1 101 'peak 40' 101 49 101 59 c34065_5mf3 1 102 'peak 331' 102 49 102 59 c34065_5mf3 1 103 'peak 337' 103 49 103 59 c34065_5mf3 1 104 'peak 338' 104 49 104 59 c34065_5mf3 1 105 'peak 339' 105 49 105 59 c34065_5mf3 1 106 'peak 343' 106 49 106 59 c34065_5mf3 1 107 'peak 346' 107 49 107 59 c34065_5mf3 1 108 'peak 384' 108 49 108 59 c34065_5mf3 1 109 'peak 358' 109 49 109 59 c34065_5mf3 1 110 'peak 359' 110 49 110 59 c34065_5mf3 1 111 'peak 311' 111 49 111 59 c34065_5mf3 1 112 'peak 14' 112 49 112 59 c34065_5mf3 1 113 'peak 32' 113 49 113 59 c34065_5mf3 1 114 'peak 309' 114 49 114 59 c34065_5mf3 1 115 'peak 248' 115 49 115 59 c34065_5mf3 1 116 'peak 61' 116 49 116 59 c34065_5mf3 1 117 'peak 308' 117 49 117 59 c34065_5mf3 1 118 'peak 381' 118 49 118 59 c34065_5mf3 1 119 'peak 52' 119 49 119 59 c34065_5mf3 1 120 'peak 273' 120 49 120 59 c34065_5mf3 1 121 'peak 268' 121 49 121 59 c34065_5mf3 1 122 'peak 363' 122 49 122 59 c34065_5mf3 1 123 'peak 351' 123 49 123 59 c34065_5mf3 1 124 'peak 245' 124 49 124 59 c34065_5mf3 1 125 'peak 113' 125 49 125 59 c34065_5mf3 1 126 'peak 293' 126 49 126 59 c34065_5mf3 1 127 'peak 118' 127 49 127 59 c34065_5mf3 1 128 'peak 120' 128 49 128 59 c34065_5mf3 1 129 'peak 228' 129 49 129 59 c34065_5mf3 1 130 'peak 303' 130 49 130 59 c34065_5mf3 1 131 'peak 132' 131 49 131 59 c34065_5mf3 1 132 'peak 230' 132 49 132 59 c34065_5mf3 1 133 'peak 136' 133 49 133 59 c34065_5mf3 1 134 'peak 307' 134 49 134 59 c34065_5mf3 1 135 'peak 377' 135 49 135 59 c34065_5mf3 1 136 'peak 370' 136 49 136 59 c34065_5mf3 1 137 'peak 384' 137 49 137 59 c34065_5mf3 1 138 'peak 294' 138 49 138 59 c34065_5mf3 1 139 'peak 218' 139 49 139 59 c34065_5mf3 1 140 'peak 259' 140 49 140 59 c34065_5mf3 1 141 'peak 318' 141 49 141 59 c34065_5mf3 1 142 'peak 312' 142 49 142 59 c34065_5mf3 1 143 'peak 209' 143 49 143 59 c34065_5mf3 1 144 'peak 246' 144 49 144 59 c34065_5mf3 1 145 'peak 366' 145 49 145 59 c34065_5mf3 1 146 'peak 175' 146 49 146 59 c34065_5mf3 1 147 'peak 177' 147 49 147 59 c34065_5mf3 1 148 'peak 180' 148 49 148 59 c34065_5mf3 1 149 'peak 325' 149 49 149 59 c34065_5mf3 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" c34065_5mf3 1 2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" c34065_5mf3 1 3 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.HB13' (nmrStar names) not linked" c34065_5mf3 1 4 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.HB3' (nmrStar names) not linked" c34065_5mf3 1 5 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 6 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 7 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 8 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" c34065_5mf3 1 9 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.HB12' (nmrStar names) not linked" c34065_5mf3 1 10 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 11 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .4.HG13' (nmrStar names) not linked" c34065_5mf3 1 12 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .4.HG13' (nmrStar names) not linked" c34065_5mf3 1 13 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .5.HG13' (nmrStar names) not linked" c34065_5mf3 1 14 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .11.HD3' (nmrStar names) not linked" c34065_5mf3 1 15 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .7.HD3' (nmrStar names) not linked" c34065_5mf3 1 16 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 17 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .7.HD3' (nmrStar names) not linked" c34065_5mf3 1 18 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .11.HD3' (nmrStar names) not linked" c34065_5mf3 1 19 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .7.HD3' (nmrStar names) not linked" c34065_5mf3 1 20 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .5.HG13' (nmrStar names) not linked" c34065_5mf3 1 21 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .5.HG13' (nmrStar names) not linked" c34065_5mf3 1 22 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34065_5mf3 1 23 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 24 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 25 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 26 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 27 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 28 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 29 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 30 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 31 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 32 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 33 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 34 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 35 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 36 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .1.Q1' (nmrStar names),' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 37 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 38 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 39 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 40 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34065_5mf3 1 41 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34065_5mf3 1 42 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 43 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 44 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34065_5mf3 1 45 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c34065_5mf3 1 46 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34065_5mf3 1 47 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .4.HG13' (nmrStar names),' .1.Q1' (nmrStar names) not linked" c34065_5mf3 1 48 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34065_5mf3 1 49 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 50 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 51 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34065_5mf3 1 52 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .12.QQD' (nmrStar names) not linked" c34065_5mf3 1 53 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 54 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 55 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 56 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 57 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 58 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34065_5mf3 1 59 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 60 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 61 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 62 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34065_5mf3 1 63 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.QB' (nmrStar names) not linked" c34065_5mf3 1 64 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.QQD' (nmrStar names) not linked" c34065_5mf3 1 65 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .12.QB' (nmrStar names) not linked" c34065_5mf3 1 66 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .12.QB' (nmrStar names),' .12.QB1' (nmrStar names) not linked" c34065_5mf3 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c34065_5mf3 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c34065_5mf3 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 'Restraints file 2: 1_HarzSDS25H.aco' 1 1 1 37 c34065_5mf3 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '3 ASN PHI -79,8 -39,8' 3 4 3 34 c34065_5mf3 1 2 '3 ASN PSI -60,2 -20,2' 4 4 4 34 c34065_5mf3 1 3 '4 ILE PHI -95,9 -55,9' 5 4 5 34 c34065_5mf3 1 4 '4 ILE PSI -46,8 9,8' 6 4 6 34 c34065_5mf3 1 5 '5 ILE PHI -117,1 -60,7' 7 4 7 34 c34065_5mf3 1 6 '5 ILE PSI -62,1 29,5' 8 4 8 34 c34065_5mf3 1 7 '6 AIB PHI -173,5 -47,1' 9 4 9 34 c34065_5mf3 1 8 '7 PRO PSI -52,5 -12,5' 10 4 10 34 c34065_5mf3 1 9 '8 LEU PHI -88,7 -48,7' 11 4 11 34 c34065_5mf3 1 10 '8 LEU PSI -49,2 -3,5' 12 4 12 34 c34065_5mf3 1 11 '9 LEU PHI -117,0 -60,1' 13 4 13 34 c34065_5mf3 1 12 '9 LEU PSI -48,3 21,1' 14 4 14 34 c34065_5mf3 1 13 '10 AIB PHI -142,1 -36,6' 15 3 15 34 c34065_5mf3 1 14 '11 PRO PSI -58,2 -6,5' 16 3 16 34 c34065_5mf3 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 c34065_5mf3 _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 ANTIBIOTIC 17-NOV-16 5MF3 *TITLE NMR SOLUTION STRUCTURE OF HARZIANIN HK-VI IN SDS MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HARZIANIN HK-VI; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: TRICHODERMA PSEUDOKONINGII; *SOURCE 4 ORGANISM_TAXID: 317029 *KEYWDS PEPTAIBOL, MEMBRANE ACTIVITY, BETA-BEND RIBBON SPIRAL, *KEYWDS 2 AMINOISOBUTYRIC ACID (AIB), STRUCTURE FROM CYANA 2.1, ANTIBIOTIC, *KEYWDS 3 FUNGAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.KARA,H.ZAMORA-CARRERAS,S.AFONIN,S.L.GRAGE,A.S.ULRICH,M.A.JIMENEZ *REVDAT 1 13-JUN-18 5MF3 0' save_