data_c34066_5mf8 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34066_5mf8 _Entry.Title ; NMR solution structure of Harzianin HK-VI in trifluoroethanol ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-17 _Entry.Accession_date 2016-11-17 _Entry.Last_release_date 2016-12-20 _Entry.Original_release_date 2016-12-20 _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. . . . c34066_5mf8 2 H. Zamora-Carreras H. . . . c34066_5mf8 3 S. Afonin S. . . . c34066_5mf8 4 S. Grage S. L. . . c34066_5mf8 5 A. Ulrich A. S. . . c34066_5mf8 6 M. Jimenez M. A. . . c34066_5mf8 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aminoisobutyric acid (Aib)' . c34066_5mf8 'Beta-bend ribbon spiral' . c34066_5mf8 'Membrane activity' . c34066_5mf8 Peptaibol . c34066_5mf8 'STRUCTURE FROM CYANA 2.1' . c34066_5mf8 antibiotic . c34066_5mf8 'fungal protein' . c34066_5mf8 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34066_5mf8 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 43 c34066_5mf8 '1H chemical shifts' 101 c34066_5mf8 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 . c34066_5mf8 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34065 'Harzianin HK-VI in SDS micelles' c34066_5mf8 PDB 5MF8 'BMRB Entry Tracking System' c34066_5mf8 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34066_5mf8 _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 . . . . c34066_5mf8 1 2 Sanae Hlimi . . . . c34066_5mf8 1 3 Yann Prigent . . . . c34066_5mf8 1 4 Christophe Goulard . . . . c34066_5mf8 1 5 Bernard Bodo . . . . c34066_5mf8 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID c34066_5mf8 _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. . . . c34066_5mf8 2 2 S. Afonin S. . . . c34066_5mf8 2 3 H. Zamora-Carreras H. . . . c34066_5mf8 2 4 A. Bordessa A. . . . c34066_5mf8 2 5 V. Doan V. . . . c34066_5mf8 2 6 N. Takeshita N. . . . c34066_5mf8 2 7 S. Grage S. L. . . c34066_5mf8 2 8 G. Chaume G. . . . c34066_5mf8 2 9 M. Jimenez M. A. . . c34066_5mf8 2 10 R. Fischer R. . . . c34066_5mf8 2 11 M. Bruix M. . . . c34066_5mf8 2 12 T. Brigaud T. . . . c34066_5mf8 2 13 A. Ulrich A. S. . . c34066_5mf8 2 14 S. Rebuffat S. . . . c34066_5mf8 2 15 C. Goulard C. . . . c34066_5mf8 2 16 Y. Prigent Y. . . . c34066_5mf8 2 17 B. Bodo B. . . . c34066_5mf8 2 18 S. Hlimi S. . . . c34066_5mf8 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34066_5mf8 _Assembly.ID 1 _Assembly.Name ACE-AIB-ASN-ILE-ILE-AIB-PRO-LEU-LEU-AIB-PRO-LOH _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 . . . . . . c34066_5mf8 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34066_5mf8 _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 . c34066_5mf8 1 2 . AIB . c34066_5mf8 1 3 . ASN . c34066_5mf8 1 4 . ILE . c34066_5mf8 1 5 . ILE . c34066_5mf8 1 6 . AIB . c34066_5mf8 1 7 . PRO . c34066_5mf8 1 8 . LEU . c34066_5mf8 1 9 . LEU . c34066_5mf8 1 10 . AIB . c34066_5mf8 1 11 . PRO . c34066_5mf8 1 12 . DCL . c34066_5mf8 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 c34066_5mf8 1 . AIB 2 2 c34066_5mf8 1 . ASN 3 3 c34066_5mf8 1 . ILE 4 4 c34066_5mf8 1 . ILE 5 5 c34066_5mf8 1 . AIB 6 6 c34066_5mf8 1 . PRO 7 7 c34066_5mf8 1 . LEU 8 8 c34066_5mf8 1 . LEU 9 9 c34066_5mf8 1 . AIB 10 10 c34066_5mf8 1 . PRO 11 11 c34066_5mf8 1 . DCL 12 12 c34066_5mf8 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 c34066_5mf8 _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 . . . . . . . . . . . . . c34066_5mf8 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 c34066_5mf8 _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' . . . . . . . . . . . . . . . . c34066_5mf8 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 c34066_5mf8 _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 c34066_5mf8 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c34066_5mf8 ACE CC=O SMILES_CANONICAL CACTVS 3.341 c34066_5mf8 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34066_5mf8 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c34066_5mf8 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c34066_5mf8 ACE O=CC SMILES ACDLabs 10.04 c34066_5mf8 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 c34066_5mf8 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34066_5mf8 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 . c34066_5mf8 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c34066_5mf8 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c34066_5mf8 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c34066_5mf8 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c34066_5mf8 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c34066_5mf8 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c34066_5mf8 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 . c34066_5mf8 ACE 2 . SING C CH3 no N 2 . c34066_5mf8 ACE 3 . SING C H no N 3 . c34066_5mf8 ACE 4 . SING CH3 H1 no N 4 . c34066_5mf8 ACE 5 . SING CH3 H2 no N 5 . c34066_5mf8 ACE 6 . SING CH3 H3 no N 6 . c34066_5mf8 ACE stop_ save_ save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID c34066_5mf8 _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 c34066_5mf8 AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34066_5mf8 AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 c34066_5mf8 AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c34066_5mf8 AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 c34066_5mf8 AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 c34066_5mf8 AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 c34066_5mf8 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 c34066_5mf8 AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c34066_5mf8 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 . c34066_5mf8 AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . c34066_5mf8 AIB C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . c34066_5mf8 AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . c34066_5mf8 AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . c34066_5mf8 AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . c34066_5mf8 AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . c34066_5mf8 AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . c34066_5mf8 AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . c34066_5mf8 AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . c34066_5mf8 AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . c34066_5mf8 AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . c34066_5mf8 AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . c34066_5mf8 AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . c34066_5mf8 AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . c34066_5mf8 AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . c34066_5mf8 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 . c34066_5mf8 AIB 2 . SING N H no N 2 . c34066_5mf8 AIB 3 . SING N H2 no N 3 . c34066_5mf8 AIB 4 . SING CA C no N 4 . c34066_5mf8 AIB 5 . SING CA CB1 no N 5 . c34066_5mf8 AIB 6 . SING CA CB2 no N 6 . c34066_5mf8 AIB 7 . DOUB C O no N 7 . c34066_5mf8 AIB 8 . SING C OXT no N 8 . c34066_5mf8 AIB 9 . SING OXT HO2 no N 9 . c34066_5mf8 AIB 10 . SING CB1 HB11 no N 10 . c34066_5mf8 AIB 11 . SING CB1 HB12 no N 11 . c34066_5mf8 AIB 12 . SING CB1 HB13 no N 12 . c34066_5mf8 AIB 13 . SING CB2 HB21 no N 13 . c34066_5mf8 AIB 14 . SING CB2 HB22 no N 14 . c34066_5mf8 AIB 15 . SING CB2 HB23 no N 15 . c34066_5mf8 AIB stop_ save_ save_chem_comp_DCL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DCL _Chem_comp.Entry_ID c34066_5mf8 _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 c34066_5mf8 DCL CC(C)C[C@@H](CO)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 c34066_5mf8 DCL CC(C)C[C@H](N)CO SMILES_CANONICAL CACTVS 3.370 c34066_5mf8 DCL CC(C)C[CH](N)CO SMILES CACTVS 3.370 c34066_5mf8 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 c34066_5mf8 DCL OCC(N)CC(C)C SMILES ACDLabs 12.01 c34066_5mf8 DCL VPSSPAXIFBTOHY-LURJTMIESA-N InChIKey InChI 1.03 c34066_5mf8 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 c34066_5mf8 DCL (2S)-2-azanyl-4-methyl-pentan-1-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 c34066_5mf8 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 . c34066_5mf8 DCL CA CA CA CA . C . . S 0 . . . 1 no no . . . . 27.166 . 3.551 . 17.305 . 0.739 -0.087 0.107 2 . c34066_5mf8 DCL C C C C . C . . N 0 . . . 1 no no . . . . 28.572 . 2.943 . 17.364 . 1.968 0.204 -0.757 3 . c34066_5mf8 DCL CB CB CB CB . C . . N 0 . . . 1 no no . . . . 27.011 . 4.516 . 16.128 . -0.512 0.448 -0.591 4 . c34066_5mf8 DCL CG CG CG CG . C . . N 0 . . . 1 no no . . . . 25.566 . 4.706 . 15.689 . -1.754 0.042 0.206 5 . c34066_5mf8 DCL CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 no no . . . . 25.550 . 5.546 . 14.446 . -2.992 0.697 -0.409 6 . c34066_5mf8 DCL CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 no no . . . . 24.921 . 3.374 . 15.412 . -1.910 -1.479 0.168 7 . c34066_5mf8 DCL OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 28.894 . 2.325 . 18.494 . 3.121 -0.397 -0.163 8 . c34066_5mf8 DCL HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 25.672 . 4.480 . 18.307 . 0.889 1.574 1.314 9 . c34066_5mf8 DCL HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no yes . . . . 26.522 . 3.426 . 19.220 . 0.175 0.268 2.054 10 . c34066_5mf8 DCL HA HA HA HA . H . . N 0 . . . 1 no no . . . . 26.563 . 2.641 . 17.166 . 0.643 -1.163 0.251 11 . c34066_5mf8 DCL HC1 HC1 HC1 HC1 . H . . N 0 . . . 1 no no . . . . 28.643 . 2.202 . 16.554 . 1.817 -0.208 -1.755 12 . c34066_5mf8 DCL HC2 HC2 HC2 HC2 . H . . N 0 . . . 1 no no . . . . 29.290 . 3.764 . 17.224 . 2.116 1.281 -0.827 13 . c34066_5mf8 DCL HB1 HB1 HB1 HB1 . H . . N 0 . . . 1 no no . . . . 27.409 . 5.495 . 16.432 . -0.458 1.535 -0.651 14 . c34066_5mf8 DCL HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 no no . . . . 27.578 . 4.113 . 15.276 . -0.574 0.032 -1.597 15 . c34066_5mf8 DCL HG HG HG HG . H . . N 0 . . . 1 no no . . . . 25.001 . 5.204 . 16.491 . -1.645 0.370 1.240 16 . c34066_5mf8 DCL HD11 HD11 HD11 HD11 . H . . N 0 . . . 0 no no . . . . 24.511 . 5.693 . 14.115 . -3.097 0.375 -1.445 17 . c34066_5mf8 DCL HD12 HD12 HD12 HD12 . H . . N 0 . . . 0 no no . . . . 26.009 . 6.523 . 14.658 . -3.877 0.403 0.155 18 . c34066_5mf8 DCL HD13 HD13 HD13 HD13 . H . . N 0 . . . 0 no no . . . . 26.119 . 5.038 . 13.653 . -2.884 1.781 -0.375 19 . c34066_5mf8 DCL HD21 HD21 HD21 HD21 . H . . N 0 . . . 0 no no . . . . 23.879 . 3.529 . 15.096 . -1.027 -1.946 0.606 20 . c34066_5mf8 DCL HD22 HD22 HD22 HD22 . H . . N 0 . . . 0 no no . . . . 25.473 . 2.859 . 14.612 . -2.794 -1.769 0.736 21 . c34066_5mf8 DCL HD23 HD23 HD23 HD23 . H . . N 0 . . . 0 no no . . . . 24.940 . 2.761 . 16.325 . -2.018 -1.807 -0.866 22 . c34066_5mf8 DCL HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 29.779 . 1.986 . 18.429 . 3.939 -0.253 -0.659 23 . c34066_5mf8 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 . c34066_5mf8 DCL 2 . SING N HN1 no N 2 . c34066_5mf8 DCL 3 . SING N HN2 no N 3 . c34066_5mf8 DCL 4 . SING CA C no N 4 . c34066_5mf8 DCL 5 . SING CA CB no N 5 . c34066_5mf8 DCL 6 . SING CA HA no N 6 . c34066_5mf8 DCL 7 . SING C OXT no N 7 . c34066_5mf8 DCL 8 . SING C HC1 no N 8 . c34066_5mf8 DCL 9 . SING C HC2 no N 9 . c34066_5mf8 DCL 10 . SING CB CG no N 10 . c34066_5mf8 DCL 11 . SING CB HB1 no N 11 . c34066_5mf8 DCL 12 . SING CB HB2 no N 12 . c34066_5mf8 DCL 13 . SING CG CD1 no N 13 . c34066_5mf8 DCL 14 . SING CG CD2 no N 14 . c34066_5mf8 DCL 15 . SING CG HG no N 15 . c34066_5mf8 DCL 16 . SING CD1 HD11 no N 16 . c34066_5mf8 DCL 17 . SING CD1 HD12 no N 17 . c34066_5mf8 DCL 18 . SING CD1 HD13 no N 18 . c34066_5mf8 DCL 19 . SING CD2 HD21 no N 19 . c34066_5mf8 DCL 20 . SING CD2 HD22 no N 20 . c34066_5mf8 DCL 21 . SING CD2 HD23 no N 21 . c34066_5mf8 DCL 22 . SING OXT HXT no N 22 . c34066_5mf8 DCL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34066_5mf8 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.9 mM Harzianin HK-VI, 100 % [U-99% 2H] TFE, 0.2 mM DSS, 100% trifluoroethanol' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% trifluoroethanol' _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 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . c34066_5mf8 1 2 'Harzianin HK-VI' 'natural abundance' 1 $assembly 1 $entity_1 . . 1.9 . . mM . . . . c34066_5mf8 1 3 TFE '[U-99% 2H]' . . . . . . 100 . . % . . . . c34066_5mf8 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 c34066_5mf8 _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 c34066_5mf8 1 pressure 1 . atm c34066_5mf8 1 temperature 298 . K c34066_5mf8 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34066_5mf8 _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' . . c34066_5mf8 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c34066_5mf8 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34066_5mf8 _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 . . c34066_5mf8 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34066_5mf8 2 'data analysis' c34066_5mf8 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c34066_5mf8 _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' . . c34066_5mf8 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c34066_5mf8 3 processing c34066_5mf8 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 c34066_5mf8 _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 c34066_5mf8 _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 . . . c34066_5mf8 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 c34066_5mf8 _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 . . . . . . . . . . . . . . . . c34066_5mf8 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34066_5mf8 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34066_5mf8 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34066_5mf8 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 c34066_5mf8 _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 . . . . . c34066_5mf8 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c34066_5mf8 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 c34066_5mf8 _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' . . . c34066_5mf8 1 2 '2D 1H-1H TOCSY' . . . c34066_5mf8 1 3 '2D 1H-1H NOESY' . . . c34066_5mf8 1 4 '2D 1H-13C HSQC aliphatic' . . . c34066_5mf8 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 2.043 0.005 . 1 . . . . A 1 ACE H1 . c34066_5mf8 1 2 . 1 1 1 1 ACE H2 H 1 2.043 0.005 . 1 . . . . A 1 ACE H2 . c34066_5mf8 1 3 . 1 1 1 1 ACE H3 H 1 2.043 0.005 . 1 . . . . A 1 ACE H3 . c34066_5mf8 1 4 . 1 1 1 1 ACE CH3 C 13 25.317 0.000 . 1 . . . . A 1 ACE CH3 . c34066_5mf8 1 5 . 1 1 2 2 AIB H H 1 7.229 0.006 . 1 . . . . A 2 AIB H . c34066_5mf8 1 6 . 1 1 2 2 AIB CB1 C 13 28.663 0.000 . 1 . . . . A 2 AIB CB1 . c34066_5mf8 1 7 . 1 1 2 2 AIB CB2 C 13 26.360 0.000 . 1 . . . . A 2 AIB CB2 . c34066_5mf8 1 8 . 1 1 2 2 AIB HB11 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB11 . c34066_5mf8 1 9 . 1 1 2 2 AIB HB12 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB12 . c34066_5mf8 1 10 . 1 1 2 2 AIB HB13 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB13 . c34066_5mf8 1 11 . 1 1 2 2 AIB HB21 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB21 . c34066_5mf8 1 12 . 1 1 2 2 AIB HB22 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB22 . c34066_5mf8 1 13 . 1 1 2 2 AIB HB23 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB23 . c34066_5mf8 1 14 . 1 1 3 3 ASN H H 1 7.963 0.003 . 1 . . . . A 3 ASN H . c34066_5mf8 1 15 . 1 1 3 3 ASN HA H 1 4.392 0.004 . 1 . . . . A 3 ASN HA . c34066_5mf8 1 16 . 1 1 3 3 ASN HB2 H 1 2.767 0.001 . 2 . . . . A 3 ASN HB2 . c34066_5mf8 1 17 . 1 1 3 3 ASN HB3 H 1 2.797 0.005 . 2 . . . . A 3 ASN HB3 . c34066_5mf8 1 18 . 1 1 3 3 ASN HD21 H 1 6.059 0.007 . 2 . . . . A 3 ASN HD21 . c34066_5mf8 1 19 . 1 1 3 3 ASN HD22 H 1 7.033 0.005 . 2 . . . . A 3 ASN HD22 . c34066_5mf8 1 20 . 1 1 3 3 ASN CA C 13 56.303 0.000 . 1 . . . . A 3 ASN CA . c34066_5mf8 1 21 . 1 1 3 3 ASN CB C 13 38.348 0.000 . 1 . . . . A 3 ASN CB . c34066_5mf8 1 22 . 1 1 4 4 ILE H H 1 7.878 0.004 . 1 . . . . A 4 ILE H . c34066_5mf8 1 23 . 1 1 4 4 ILE HA H 1 4.082 0.005 . 1 . . . . A 4 ILE HA . c34066_5mf8 1 24 . 1 1 4 4 ILE HB H 1 2.131 0.005 . 1 . . . . A 4 ILE HB . c34066_5mf8 1 25 . 1 1 4 4 ILE HG12 H 1 1.290 0.005 . 2 . . . . A 4 ILE HG12 . c34066_5mf8 1 26 . 1 1 4 4 ILE HG13 H 1 1.578 0.004 . 2 . . . . A 4 ILE HG13 . c34066_5mf8 1 27 . 1 1 4 4 ILE HG21 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG21 . c34066_5mf8 1 28 . 1 1 4 4 ILE HG22 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG22 . c34066_5mf8 1 29 . 1 1 4 4 ILE HG23 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG23 . c34066_5mf8 1 30 . 1 1 4 4 ILE HD11 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD11 . c34066_5mf8 1 31 . 1 1 4 4 ILE HD12 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD12 . c34066_5mf8 1 32 . 1 1 4 4 ILE HD13 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD13 . c34066_5mf8 1 33 . 1 1 4 4 ILE CA C 13 64.362 0.000 . 1 . . . . A 4 ILE CA . c34066_5mf8 1 34 . 1 1 4 4 ILE CB C 13 39.317 0.000 . 1 . . . . A 4 ILE CB . c34066_5mf8 1 35 . 1 1 4 4 ILE CG1 C 13 29.035 0.003 . 1 . . . . A 4 ILE CG1 . c34066_5mf8 1 36 . 1 1 4 4 ILE CG2 C 13 17.970 0.000 . 1 . . . . A 4 ILE CG2 . c34066_5mf8 1 37 . 1 1 4 4 ILE CD1 C 13 12.973 0.000 . 1 . . . . A 4 ILE CD1 . c34066_5mf8 1 38 . 1 1 5 5 ILE H H 1 7.414 0.004 . 1 . . . . A 5 ILE H . c34066_5mf8 1 39 . 1 1 5 5 ILE HA H 1 4.420 0.004 . 1 . . . . A 5 ILE HA . c34066_5mf8 1 40 . 1 1 5 5 ILE HB H 1 2.086 0.005 . 1 . . . . A 5 ILE HB . c34066_5mf8 1 41 . 1 1 5 5 ILE HG12 H 1 1.344 0.005 . 2 . . . . A 5 ILE HG12 . c34066_5mf8 1 42 . 1 1 5 5 ILE HG13 H 1 1.559 0.008 . 2 . . . . A 5 ILE HG13 . c34066_5mf8 1 43 . 1 1 5 5 ILE HG21 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG21 . c34066_5mf8 1 44 . 1 1 5 5 ILE HG22 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG22 . c34066_5mf8 1 45 . 1 1 5 5 ILE HG23 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG23 . c34066_5mf8 1 46 . 1 1 5 5 ILE HD11 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD11 . c34066_5mf8 1 47 . 1 1 5 5 ILE HD12 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD12 . c34066_5mf8 1 48 . 1 1 5 5 ILE HD13 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD13 . c34066_5mf8 1 49 . 1 1 5 5 ILE CA C 13 62.838 0.000 . 1 . . . . A 5 ILE CA . c34066_5mf8 1 50 . 1 1 5 5 ILE CB C 13 40.264 0.000 . 1 . . . . A 5 ILE CB . c34066_5mf8 1 51 . 1 1 5 5 ILE CG1 C 13 28.849 0.005 . 1 . . . . A 5 ILE CG1 . c34066_5mf8 1 52 . 1 1 5 5 ILE CG2 C 13 18.284 0.000 . 1 . . . . A 5 ILE CG2 . c34066_5mf8 1 53 . 1 1 5 5 ILE CD1 C 13 12.655 0.000 . 1 . . . . A 5 ILE CD1 . c34066_5mf8 1 54 . 1 1 6 6 AIB H H 1 8.616 0.004 . 1 . . . . A 6 AIB H . c34066_5mf8 1 55 . 1 1 6 6 AIB CB1 C 13 26.204 0.000 . 1 . . . . A 6 AIB CB1 . c34066_5mf8 1 56 . 1 1 6 6 AIB CB2 C 13 22.813 0.000 . 1 . . . . A 6 AIB CB2 . c34066_5mf8 1 57 . 1 1 6 6 AIB HB11 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB11 . c34066_5mf8 1 58 . 1 1 6 6 AIB HB12 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB12 . c34066_5mf8 1 59 . 1 1 6 6 AIB HB13 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB13 . c34066_5mf8 1 60 . 1 1 6 6 AIB HB21 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB21 . c34066_5mf8 1 61 . 1 1 6 6 AIB HB22 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB22 . c34066_5mf8 1 62 . 1 1 6 6 AIB HB23 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB23 . c34066_5mf8 1 63 . 1 1 7 7 PRO HA H 1 4.407 0.004 . 1 . . . . A 7 PRO HA . c34066_5mf8 1 64 . 1 1 7 7 PRO HB2 H 1 1.799 0.006 . 2 . . . . A 7 PRO HB2 . c34066_5mf8 1 65 . 1 1 7 7 PRO HB3 H 1 2.417 0.006 . 2 . . . . A 7 PRO HB3 . c34066_5mf8 1 66 . 1 1 7 7 PRO HG2 H 1 1.959 0.006 . 2 . . . . A 7 PRO HG2 . c34066_5mf8 1 67 . 1 1 7 7 PRO HG3 H 1 2.077 0.006 . 2 . . . . A 7 PRO HG3 . c34066_5mf8 1 68 . 1 1 7 7 PRO HD2 H 1 3.408 0.004 . 2 . . . . A 7 PRO HD2 . c34066_5mf8 1 69 . 1 1 7 7 PRO HD3 H 1 4.060 0.004 . 2 . . . . A 7 PRO HD3 . c34066_5mf8 1 70 . 1 1 7 7 PRO CA C 13 67.350 0.000 . 1 . . . . A 7 PRO CA . c34066_5mf8 1 71 . 1 1 7 7 PRO CB C 13 32.075 0.007 . 1 . . . . A 7 PRO CB . c34066_5mf8 1 72 . 1 1 7 7 PRO CG C 13 29.509 0.002 . 1 . . . . A 7 PRO CG . c34066_5mf8 1 73 . 1 1 7 7 PRO CD C 13 53.721 0.002 . 1 . . . . A 7 PRO CD . c34066_5mf8 1 74 . 1 1 8 8 LEU H H 1 7.835 0.002 . 1 . . . . A 8 LEU H . c34066_5mf8 1 75 . 1 1 8 8 LEU HA H 1 4.240 0.004 . 1 . . . . A 8 LEU HA . c34066_5mf8 1 76 . 1 1 8 8 LEU HB2 H 1 1.653 0.006 . 2 . . . . A 8 LEU HB2 . c34066_5mf8 1 77 . 1 1 8 8 LEU HB3 H 1 2.007 0.004 . 2 . . . . A 8 LEU HB3 . c34066_5mf8 1 78 . 1 1 8 8 LEU HG H 1 1.827 0.003 . 1 . . . . A 8 LEU HG . c34066_5mf8 1 79 . 1 1 8 8 LEU HD11 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD11 . c34066_5mf8 1 80 . 1 1 8 8 LEU HD12 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD12 . c34066_5mf8 1 81 . 1 1 8 8 LEU HD13 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD13 . c34066_5mf8 1 82 . 1 1 8 8 LEU HD21 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD21 . c34066_5mf8 1 83 . 1 1 8 8 LEU HD22 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD22 . c34066_5mf8 1 84 . 1 1 8 8 LEU HD23 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD23 . c34066_5mf8 1 85 . 1 1 8 8 LEU CA C 13 58.115 0.000 . 1 . . . . A 8 LEU CA . c34066_5mf8 1 86 . 1 1 8 8 LEU CB C 13 43.103 0.005 . 1 . . . . A 8 LEU CB . c34066_5mf8 1 87 . 1 1 8 8 LEU CG C 13 28.574 0.000 . 1 . . . . A 8 LEU CG . c34066_5mf8 1 88 . 1 1 8 8 LEU CD1 C 13 23.032 0.000 . 1 . . . . A 8 LEU CD1 . c34066_5mf8 1 89 . 1 1 8 8 LEU CD2 C 13 25.727 0.000 . 1 . . . . A 8 LEU CD2 . c34066_5mf8 1 90 . 1 1 9 9 LEU H H 1 7.227 0.004 . 1 . . . . A 9 LEU H . c34066_5mf8 1 91 . 1 1 9 9 LEU HA H 1 4.601 0.004 . 1 . . . . A 9 LEU HA . c34066_5mf8 1 92 . 1 1 9 9 LEU HB2 H 1 1.691 0.004 . 2 . . . . A 9 LEU HB2 . c34066_5mf8 1 93 . 1 1 9 9 LEU HB3 H 1 1.763 0.007 . 2 . . . . A 9 LEU HB3 . c34066_5mf8 1 94 . 1 1 9 9 LEU HG H 1 1.644 0.000 . 1 . . . . A 9 LEU HG . c34066_5mf8 1 95 . 1 1 9 9 LEU HD11 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD11 . c34066_5mf8 1 96 . 1 1 9 9 LEU HD12 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD12 . c34066_5mf8 1 97 . 1 1 9 9 LEU HD13 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD13 . c34066_5mf8 1 98 . 1 1 9 9 LEU HD21 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD21 . c34066_5mf8 1 99 . 1 1 9 9 LEU HD22 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD22 . c34066_5mf8 1 100 . 1 1 9 9 LEU HD23 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD23 . c34066_5mf8 1 101 . 1 1 9 9 LEU CA C 13 55.555 0.000 . 1 . . . . A 9 LEU CA . c34066_5mf8 1 102 . 1 1 9 9 LEU CB C 13 44.031 0.001 . 1 . . . . A 9 LEU CB . c34066_5mf8 1 103 . 1 1 9 9 LEU CG C 13 28.391 0.000 . 1 . . . . A 9 LEU CG . c34066_5mf8 1 104 . 1 1 9 9 LEU CD1 C 13 22.946 0.000 . 1 . . . . A 9 LEU CD1 . c34066_5mf8 1 105 . 1 1 9 9 LEU CD2 C 13 25.499 0.000 . 1 . . . . A 9 LEU CD2 . c34066_5mf8 1 106 . 1 1 10 10 AIB H H 1 7.573 0.003 . 1 . . . . A 10 AIB H . c34066_5mf8 1 107 . 1 1 10 10 AIB CB1 C 13 28.262 0.000 . 1 . . . . A 10 AIB CB1 . c34066_5mf8 1 108 . 1 1 10 10 AIB CB2 C 13 26.385 0.000 . 1 . . . . A 10 AIB CB2 . c34066_5mf8 1 109 . 1 1 10 10 AIB HB11 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB11 . c34066_5mf8 1 110 . 1 1 10 10 AIB HB12 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB12 . c34066_5mf8 1 111 . 1 1 10 10 AIB HB13 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB13 . c34066_5mf8 1 112 . 1 1 10 10 AIB HB21 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB21 . c34066_5mf8 1 113 . 1 1 10 10 AIB HB22 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB22 . c34066_5mf8 1 114 . 1 1 10 10 AIB HB23 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB23 . c34066_5mf8 1 115 . 1 1 11 11 PRO HA H 1 4.410 0.005 . 1 . . . . A 11 PRO HA . c34066_5mf8 1 116 . 1 1 11 11 PRO HB2 H 1 1.784 0.008 . 2 . . . . A 11 PRO HB2 . c34066_5mf8 1 117 . 1 1 11 11 PRO HB3 H 1 2.365 0.004 . 2 . . . . A 11 PRO HB3 . c34066_5mf8 1 118 . 1 1 11 11 PRO HG2 H 1 1.920 0.004 . 2 . . . . A 11 PRO HG2 . c34066_5mf8 1 119 . 1 1 11 11 PRO HG3 H 1 2.019 0.006 . 2 . . . . A 11 PRO HG3 . c34066_5mf8 1 120 . 1 1 11 11 PRO HD2 H 1 3.338 0.004 . 2 . . . . A 11 PRO HD2 . c34066_5mf8 1 121 . 1 1 11 11 PRO HD3 H 1 3.873 0.004 . 2 . . . . A 11 PRO HD3 . c34066_5mf8 1 122 . 1 1 11 11 PRO CA C 13 68.605 0.000 . 1 . . . . A 11 PRO CA . c34066_5mf8 1 123 . 1 1 11 11 PRO CB C 13 32.398 0.002 . 1 . . . . A 11 PRO CB . c34066_5mf8 1 124 . 1 1 11 11 PRO CG C 13 29.110 0.001 . 1 . . . . A 11 PRO CG . c34066_5mf8 1 125 . 1 1 11 11 PRO CD C 13 53.098 0.001 . 1 . . . . A 11 PRO CD . c34066_5mf8 1 126 . 1 1 12 12 DCL C C 13 68.706 0.002 . 1 . . . . A 12 DCL C . c34066_5mf8 1 127 . 1 1 12 12 DCL CA C 13 54.025 0.000 . 1 . . . . A 12 DCL CA . c34066_5mf8 1 128 . 1 1 12 12 DCL CB C 13 42.456 0.002 . 1 . . . . A 12 DCL CB . c34066_5mf8 1 129 . 1 1 12 12 DCL CD1 C 13 24.281 0.000 . 1 . . . . A 12 DCL CD1 . c34066_5mf8 1 130 . 1 1 12 12 DCL CD2 C 13 25.725 0.000 . 1 . . . . A 12 DCL CD2 . c34066_5mf8 1 131 . 1 1 12 12 DCL CG C 13 28.383 0.000 . 1 . . . . A 12 DCL CG . c34066_5mf8 1 132 . 1 1 12 12 DCL HA H 1 4.067 0.004 . 1 . . . . A 12 DCL HA . c34066_5mf8 1 133 . 1 1 12 12 DCL HB1 H 1 1.321 0.006 . 2 . . . . A 12 DCL HB1 . c34066_5mf8 1 134 . 1 1 12 12 DCL HB2 H 1 1.645 0.006 . 2 . . . . A 12 DCL HB2 . c34066_5mf8 1 135 . 1 1 12 12 DCL HC1 H 1 3.614 0.004 . 2 . . . . A 12 DCL HC1 . c34066_5mf8 1 136 . 1 1 12 12 DCL HC2 H 1 3.729 0.005 . 2 . . . . A 12 DCL HC2 . c34066_5mf8 1 137 . 1 1 12 12 DCL HD11 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD11 . c34066_5mf8 1 138 . 1 1 12 12 DCL HD12 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD12 . c34066_5mf8 1 139 . 1 1 12 12 DCL HD13 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD13 . c34066_5mf8 1 140 . 1 1 12 12 DCL HD21 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD21 . c34066_5mf8 1 141 . 1 1 12 12 DCL HD22 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD22 . c34066_5mf8 1 142 . 1 1 12 12 DCL HD23 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD23 . c34066_5mf8 1 143 . 1 1 12 12 DCL HG H 1 1.624 0.000 . 1 . . . . A 12 DCL HG . c34066_5mf8 1 144 . 1 1 12 12 DCL HN1 H 1 7.639 0.001 . 1 . . . . A 12 DCL HN1 . c34066_5mf8 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 c34066_5mf8 _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 c34066_5mf8 _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 . . . c34066_5mf8 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 . . . . c34066_5mf8 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 . . . . . . . . . c34066_5mf8 1 . 1 . 2 . 1 1 1 ACE CH3 C 0.000 0.363 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 1 . 3 . 1 1 1 ACE H1 H -0.514 0.000 -0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 1 . 4 . 1 1 1 ACE H2 H 1.028 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 1 . 5 . 1 1 1 ACE H3 H -0.514 0.000 0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 1 . 6 . 1 1 1 ACE O O -0.695 2.546 -0.708 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 1 . 7 . 1 1 2 ABA C C 1.514 4.492 -0.278 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 1 . 8 . 1 1 2 ABA CA C 0.999 3.902 1.018 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 1 . 9 . 1 1 2 ABA H H 1.449 1.771 1.477 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 1 . 10 . 1 1 2 ABA N N 0.877 2.437 0.894 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 1 . 11 . 1 1 2 ABA O O 1.492 5.718 -0.378 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 1 . 12 . 1 1 3 ASN C C 1.338 4.599 -3.435 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 1 . 13 . 1 1 3 ASN CA C 2.481 4.228 -2.496 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 1 . 14 . 1 1 3 ASN CB C 3.400 3.208 -3.170 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 1 . 15 . 1 1 3 ASN CG C 4.799 3.213 -2.584 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 1 . 16 . 1 1 3 ASN H H 1.961 2.725 -1.100 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 1 . 17 . 1 1 3 ASN HA H 3.050 5.118 -2.271 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 1 . 18 . 1 1 3 ASN HB2 H 2.982 2.219 -3.047 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 19 . 1 1 3 ASN HB3 H 3.470 3.436 -4.223 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 1 . 20 . 1 1 3 ASN HD21 H 4.436 1.500 -1.641 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 1 . 21 . 1 1 3 ASN HD22 H 6.011 2.168 -1.404 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 1 . 22 . 1 1 3 ASN N N 1.969 3.695 -1.239 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 1 . 23 . 1 1 3 ASN ND2 N 5.114 2.190 -1.797 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 1 . 24 . 1 1 3 ASN O O 1.521 5.371 -4.377 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 1 . 25 . 1 1 3 ASN OD1 O 5.586 4.124 -2.836 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 1 . 26 . 1 1 4 ILE C C -1.768 5.543 -3.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 1 . 27 . 1 1 4 ILE CA C -1.014 4.319 -3.992 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 1 . 28 . 1 1 4 ILE CB C -1.973 3.115 -4.023 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 1 . 29 . 1 1 4 ILE CD1 C -2.121 0.637 -4.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 1 . 30 . 1 1 4 ILE CG1 C -1.256 1.877 -4.566 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 1 . 31 . 1 1 4 ILE CG2 C -3.199 3.436 -4.864 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 1 . 32 . 1 1 4 ILE H H 0.077 3.439 -2.407 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 1 . 33 . 1 1 4 ILE HA H -0.677 4.512 -5.001 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 1 . 34 . 1 1 4 ILE HB H -2.300 2.918 -3.013 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 1 . 35 . 1 1 4 ILE HD11 H -1.526 -0.222 -4.316 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 1 . 36 . 1 1 4 ILE HD12 H -2.932 0.752 -3.882 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 1 . 37 . 1 1 4 ILE HD13 H -2.525 0.496 -5.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 1 . 38 . 1 1 4 ILE HG12 H -0.932 2.071 -5.577 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 1 . 39 . 1 1 4 ILE HG13 H -0.393 1.671 -3.949 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 1 . 40 . 1 1 4 ILE HG21 H -3.082 4.411 -5.314 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 1 . 41 . 1 1 4 ILE HG22 H -3.306 2.693 -5.641 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 1 . 42 . 1 1 4 ILE HG23 H -4.078 3.431 -4.237 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 1 . 43 . 1 1 4 ILE N N 0.159 4.045 -3.171 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 1 . 44 . 1 1 4 ILE O O -2.327 6.311 -4.265 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 1 . 45 . 1 1 5 ILE C C -1.707 8.151 -1.807 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 1 . 46 . 1 1 5 ILE CA C -2.460 6.850 -1.551 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 1 . 47 . 1 1 5 ILE CB C -2.620 6.654 -0.032 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 1 . 48 . 1 1 5 ILE CD1 C -4.826 5.412 -0.293 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 1 . 49 . 1 1 5 ILE CG1 C -3.418 5.381 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 1 . 50 . 1 1 5 ILE CG2 C -3.300 7.865 0.590 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 1 . 51 . 1 1 5 ILE H H -1.313 5.072 -1.593 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 1 . 52 . 1 1 5 ILE HA H -3.444 6.924 -1.990 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 1 . 53 . 1 1 5 ILE HB H -1.637 6.561 0.403 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 1 . 54 . 1 1 5 ILE HD11 H -4.918 4.686 -1.088 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 1 . 55 . 1 1 5 ILE HD12 H -5.527 5.176 0.494 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 1 . 56 . 1 1 5 ILE HD13 H -5.039 6.398 -0.681 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 1 . 57 . 1 1 5 ILE HG12 H -2.909 4.537 -0.179 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 1 . 58 . 1 1 5 ILE HG13 H -3.483 5.242 1.328 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 1 . 59 . 1 1 5 ILE HG21 H -2.563 8.471 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 1 . 60 . 1 1 5 ILE HG22 H -3.774 8.449 -0.185 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 1 . 61 . 1 1 5 ILE HG23 H -4.044 7.536 1.299 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 1 . 62 . 1 1 5 ILE N N -1.777 5.718 -2.165 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 1 . 63 . 1 1 5 ILE O O -2.249 9.220 -1.973 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 1 . 64 . 1 1 6 ABA C C 0.032 9.993 -3.308 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 1 . 65 . 1 1 6 ABA CA C 0.521 9.241 -2.088 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 1 . 66 . 1 1 6 ABA H H 0.072 7.097 -1.694 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 1 . 67 . 1 1 6 ABA N N -0.328 8.061 -1.846 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 1 . 68 . 1 1 6 ABA O O -0.303 11.168 -3.160 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 1 . 69 . 1 1 7 PRO C C -1.971 10.346 -5.695 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 1 . 70 . 1 1 7 PRO CA C -0.475 10.055 -5.719 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 1 . 71 . 1 1 7 PRO CB C -0.142 9.052 -6.826 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 1 . 72 . 1 1 7 PRO CD C 0.365 7.980 -4.750 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 1 . 73 . 1 1 7 PRO CG C -0.134 7.727 -6.146 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 1 . 74 . 1 1 7 PRO HA H 0.067 10.975 -5.889 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 1 . 75 . 1 1 7 PRO HB2 H -0.900 9.097 -7.596 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 76 . 1 1 7 PRO HB3 H 0.823 9.285 -7.249 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 1 . 77 . 1 1 7 PRO HD2 H -0.120 7.317 -4.050 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 1 . 78 . 1 1 7 PRO HD3 H 1.438 7.862 -4.705 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 1 . 79 . 1 1 7 PRO HG2 H -1.133 7.321 -6.119 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 1 . 80 . 1 1 7 PRO HG3 H 0.532 7.053 -6.665 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 1 . 81 . 1 1 7 PRO N N -0.019 9.380 -4.500 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 1 . 82 . 1 1 7 PRO O O -2.415 11.406 -6.139 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 1 . 83 . 1 1 8 LEU C C -4.566 10.694 -4.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 1 . 84 . 1 1 8 LEU CA C -4.193 9.554 -5.093 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 1 . 85 . 1 1 8 LEU CB C -4.839 8.252 -4.617 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 1 . 86 . 1 1 8 LEU CD1 C -5.330 5.817 -4.954 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 1 . 87 . 1 1 8 LEU CD2 C -5.638 7.425 -6.845 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 1 . 88 . 1 1 8 LEU CG C -4.815 7.089 -5.610 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 1 . 89 . 1 1 8 LEU H H -2.333 8.577 -4.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 1 . 90 . 1 1 8 LEU HA H -4.558 9.787 -6.082 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 1 . 91 . 1 1 8 LEU HB2 H -4.323 7.934 -3.724 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 92 . 1 1 8 LEU HB3 H -5.871 8.464 -4.378 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 1 . 93 . 1 1 8 LEU HD11 H -6.371 5.941 -4.695 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 1 . 94 . 1 1 8 LEU HD12 H -4.758 5.616 -4.060 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 1 . 95 . 1 1 8 LEU HD13 H -5.225 4.990 -5.641 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 1 . 96 . 1 1 8 LEU HD21 H -6.658 7.628 -6.553 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 1 . 97 . 1 1 8 LEU HD22 H -5.619 6.589 -7.528 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 1 . 98 . 1 1 8 LEU HD23 H -5.222 8.296 -7.328 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 1 . 99 . 1 1 8 LEU HG H -3.796 6.913 -5.924 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 1 . 100 . 1 1 8 LEU N N -2.745 9.399 -5.175 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 1 . 101 . 1 1 8 LEU O O -5.704 11.167 -4.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 1 . 102 . 1 1 9 LEU C C -3.996 13.550 -3.133 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 1 . 103 . 1 1 9 LEU CA C -3.827 12.220 -2.404 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 1 . 104 . 1 1 9 LEU CB C -2.664 12.312 -1.415 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 1 . 105 . 1 1 9 LEU CD1 C -3.667 12.955 0.791 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 1 . 106 . 1 1 9 LEU CD2 C -1.391 13.784 0.166 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 1 . 107 . 1 1 9 LEU CG C -2.771 13.406 -0.353 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 1 . 108 . 1 1 9 LEU H H -2.715 10.717 -3.396 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 1 . 109 . 1 1 9 LEU HA H -4.735 12.004 -1.861 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 1 . 110 . 1 1 9 LEU HB2 H -2.588 11.363 -0.906 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 111 . 1 1 9 LEU HB3 H -1.761 12.487 -1.983 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 1 . 112 . 1 1 9 LEU HD11 H -3.602 13.665 1.601 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 1 . 113 . 1 1 9 LEU HD12 H -3.346 11.983 1.137 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 1 . 114 . 1 1 9 LEU HD13 H -4.688 12.893 0.445 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 1 . 115 . 1 1 9 LEU HD21 H -1.492 14.333 1.090 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 1 . 116 . 1 1 9 LEU HD22 H -0.888 14.399 -0.566 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 1 . 117 . 1 1 9 LEU HD23 H -0.815 12.887 0.341 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 1 . 118 . 1 1 9 LEU HG H -3.216 14.287 -0.796 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 1 . 119 . 1 1 9 LEU N N -3.601 11.133 -3.351 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 1 . 120 . 1 1 9 LEU O O -4.796 14.397 -2.808 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 1 . 121 . 1 1 10 ABA C C -4.660 15.282 -5.429 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 1 . 122 . 1 1 10 ABA CA C -3.231 14.999 -5.016 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 1 . 123 . 1 1 10 ABA H H -2.499 12.976 -4.444 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 1 . 124 . 1 1 10 ABA N N -3.170 13.758 -4.221 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 1 . 125 . 1 1 10 ABA O O -5.158 16.349 -5.070 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 1 . 126 . 1 1 11 PRO C C -7.710 14.551 -5.447 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 1 . 127 . 1 1 11 PRO CA C -6.719 14.610 -6.604 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 1 . 128 . 1 1 11 PRO CB C -6.969 13.458 -7.581 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 1 . 129 . 1 1 11 PRO CD C -4.806 13.097 -6.630 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 1 . 130 . 1 1 11 PRO CG C -6.023 12.388 -7.156 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 1 . 131 . 1 1 11 PRO HA H -6.826 15.552 -7.121 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 1 . 132 . 1 1 11 PRO HB2 H -7.997 13.133 -7.502 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 133 . 1 1 11 PRO HB3 H -6.766 13.786 -8.589 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 1 . 134 . 1 1 11 PRO HD2 H -4.371 12.543 -5.811 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 1 . 135 . 1 1 11 PRO HD3 H -4.082 13.239 -7.418 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 1 . 136 . 1 1 11 PRO HG2 H -6.473 11.788 -6.379 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 1 . 137 . 1 1 11 PRO HG3 H -5.761 11.772 -8.003 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 1 . 138 . 1 1 11 PRO N N -5.337 14.390 -6.166 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 1 . 139 . 1 1 11 PRO O O -8.651 15.302 -5.328 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 1 . 140 . 1 1 12 DCL C C -7.707 14.071 -2.119 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 1 . 141 . 1 1 12 DCL CA C -8.350 13.387 -3.324 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 1 . 142 . 1 1 12 DCL CB C -8.522 11.889 -3.035 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 1 . 143 . 1 1 12 DCL CD1 C -10.614 11.720 -4.386 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 1 . 144 . 1 1 12 DCL CD2 C -10.785 12.272 -1.968 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 1 . 145 . 1 1 12 DCL CG C -9.999 11.472 -3.007 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 1 . 146 . 1 1 12 DCL HA H -9.350 13.838 -3.518 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 1 . 147 . 1 1 12 DCL HB1 H -8.000 11.309 -3.827 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 1 . 148 . 1 1 12 DCL HB2 H -8.067 11.660 -2.048 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 1 . 149 . 1 1 12 DCL HC1 H -6.916 13.429 -1.673 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 1 . 150 . 1 1 12 DCL HC2 H -7.270 15.052 -2.403 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 1 . 151 . 1 1 12 DCL HD11 H -11.419 10.977 -4.573 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 1 . 152 . 1 1 12 DCL HD12 H -11.041 12.746 -4.422 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 1 . 153 . 1 1 12 DCL HD13 H -9.828 11.618 -5.166 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 1 . 154 . 1 1 12 DCL HD21 H -10.924 13.314 -2.329 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 1 . 155 . 1 1 12 DCL HD22 H -11.779 11.799 -1.810 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 1 . 156 . 1 1 12 DCL HD23 H -10.224 12.286 -1.009 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 1 . 157 . 1 1 12 DCL HG H -10.056 10.395 -2.739 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 1 . 158 . 1 1 12 DCL HN1 H -6.645 12.961 -4.677 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 1 . 159 . 1 1 12 DCL HXT H -8.882 15.245 -0.808 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 1 . 160 . 1 1 12 DCL N N -7.485 13.572 -4.500 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 1 . 161 . 1 1 12 DCL OXT O -8.694 14.302 -1.125 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 2 . 162 . 1 1 1 ACE C C -0.181 1.928 0.221 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 2 . 163 . 1 1 1 ACE CH3 C -0.224 0.440 0.279 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 2 . 164 . 1 1 1 ACE H1 H 0.687 0.033 -0.159 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 2 . 165 . 1 1 1 ACE H2 H -0.303 0.119 1.318 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 2 . 166 . 1 1 1 ACE H3 H -1.088 0.079 -0.279 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 2 . 167 . 1 1 1 ACE O O -0.859 2.613 -0.511 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 2 . 168 . 1 1 2 ABA C C 1.406 4.509 -0.164 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 2 . 169 . 1 1 2 ABA CA C 0.881 3.985 1.156 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 2 . 170 . 1 1 2 ABA H H 1.271 1.861 1.696 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 2 . 171 . 1 1 2 ABA N N 0.716 2.521 1.089 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 2 . 172 . 1 1 2 ABA O O 1.419 5.730 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 2 . 173 . 1 1 3 ASN C C 1.220 4.496 -3.324 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 2 . 174 . 1 1 3 ASN CA C 2.356 4.132 -2.373 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 2 . 175 . 1 1 3 ASN CB C 3.244 3.061 -3.010 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 2 . 176 . 1 1 3 ASN CG C 4.699 3.484 -3.081 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 2 . 177 . 1 1 3 ASN H H 1.800 2.699 -0.918 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 2 . 178 . 1 1 3 ASN HA H 2.950 5.014 -2.185 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 2 . 179 . 1 1 3 ASN HB2 H 3.181 2.155 -2.424 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 180 . 1 1 3 ASN HB3 H 2.897 2.862 -4.012 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 2 . 181 . 1 1 3 ASN HD21 H 4.570 3.686 -5.055 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 2 . 182 . 1 1 3 ASN HD22 H 6.113 4.041 -4.363 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 2 . 183 . 1 1 3 ASN N N 1.835 3.663 -1.095 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 2 . 184 . 1 1 3 ASN ND2 N 5.175 3.766 -4.288 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 2 . 185 . 1 1 3 ASN O O 1.420 5.223 -4.297 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 2 . 186 . 1 1 3 ASN OD1 O 5.386 3.556 -2.062 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 2 . 187 . 1 1 4 ILE C C -1.878 5.505 -3.378 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 2 . 188 . 1 1 4 ILE CA C -1.141 4.261 -3.861 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 2 . 189 . 1 1 4 ILE CB C -2.117 3.069 -3.868 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 2 . 190 . 1 1 4 ILE CD1 C -2.309 0.589 -4.406 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 2 . 191 . 1 1 4 ILE CG1 C -1.417 1.811 -4.384 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 2 . 192 . 1 1 4 ILE CG2 C -3.338 3.389 -4.718 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 2 . 193 . 1 1 4 ILE H H -0.069 3.415 -2.244 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 2 . 194 . 1 1 4 ILE HA H -0.801 4.427 -4.873 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 2 . 195 . 1 1 4 ILE HB H -2.449 2.899 -2.855 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 2 . 196 . 1 1 4 ILE HD11 H -3.261 0.830 -3.957 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 2 . 197 . 1 1 4 ILE HD12 H -2.460 0.271 -5.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 2 . 198 . 1 1 4 ILE HD13 H -1.840 -0.208 -3.846 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 2 . 199 . 1 1 4 ILE HG12 H -1.071 1.986 -5.390 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 2 . 200 . 1 1 4 ILE HG13 H -0.570 1.593 -3.749 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 2 . 201 . 1 1 4 ILE HG21 H -4.223 3.367 -4.100 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 2 . 202 . 1 1 4 ILE HG22 H -3.227 4.372 -5.151 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 2 . 203 . 1 1 4 ILE HG23 H -3.430 2.657 -5.506 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 2 . 204 . 1 1 4 ILE N N 0.027 3.987 -3.034 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 2 . 205 . 1 1 4 ILE O O -2.386 6.289 -4.180 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 2 . 206 . 1 1 5 ILE C C -1.806 8.110 -1.698 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 2 . 207 . 1 1 5 ILE CA C -2.604 6.831 -1.471 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 2 . 208 . 1 1 5 ILE CB C -2.826 6.639 0.040 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 2 . 209 . 1 1 5 ILE CD1 C -4.912 5.236 -0.361 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 2 . 210 . 1 1 5 ILE CG1 C -3.557 5.321 0.307 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 2 . 211 . 1 1 5 ILE CG2 C -3.609 7.811 0.614 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 2 . 212 . 1 1 5 ILE H H -1.509 5.020 -1.474 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 2 . 213 . 1 1 5 ILE HA H -3.569 6.932 -1.947 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 2 . 214 . 1 1 5 ILE HB H -1.861 6.611 0.523 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 2 . 215 . 1 1 5 ILE HD11 H -5.205 6.216 -0.707 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 2 . 216 . 1 1 5 ILE HD12 H -4.859 4.557 -1.198 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 2 . 217 . 1 1 5 ILE HD13 H -5.641 4.873 0.350 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 2 . 218 . 1 1 5 ILE HG12 H -2.956 4.503 -0.057 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 2 . 219 . 1 1 5 ILE HG13 H -3.704 5.209 1.372 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 2 . 220 . 1 1 5 ILE HG21 H -4.118 7.498 1.513 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 2 . 221 . 1 1 5 ILE HG22 H -2.929 8.616 0.848 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 2 . 222 . 1 1 5 ILE HG23 H -4.333 8.149 -0.111 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 2 . 223 . 1 1 5 ILE N N -1.932 5.680 -2.062 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 2 . 224 . 1 1 5 ILE O O -2.311 9.194 -1.881 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 2 . 225 . 1 1 6 ABA C C 0.036 9.903 -3.131 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 2 . 226 . 1 1 6 ABA CA C 0.461 9.136 -1.897 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 2 . 227 . 1 1 6 ABA H H -0.063 7.005 -1.523 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 2 . 228 . 1 1 6 ABA N N -0.430 7.980 -1.688 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 2 . 229 . 1 1 6 ABA O O -0.270 11.088 -2.991 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 2 . 230 . 1 1 7 PRO C C -1.872 10.319 -5.585 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 2 . 231 . 1 1 7 PRO CA C -0.384 9.986 -5.557 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 2 . 232 . 1 1 7 PRO CB C -0.042 8.975 -6.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 2 . 233 . 1 1 7 PRO CD C 0.362 7.885 -4.567 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 2 . 234 . 1 1 7 PRO CG C -0.095 7.649 -5.980 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 2 . 235 . 1 1 7 PRO HA H 0.189 10.889 -5.706 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 2 . 236 . 1 1 7 PRO HB2 H -0.771 9.044 -7.451 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 237 . 1 1 7 PRO HB3 H 0.943 9.181 -7.045 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 2 . 238 . 1 1 7 PRO HD2 H -0.166 7.234 -3.886 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 2 . 239 . 1 1 7 PRO HD3 H 1.428 7.736 -4.485 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 2 . 240 . 1 1 7 PRO HG2 H -1.107 7.272 -5.989 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 2 . 241 . 1 1 7 PRO HG3 H 0.569 6.957 -6.477 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 2 . 242 . 1 1 7 PRO N N 0.009 9.295 -4.326 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 2 . 243 . 1 1 7 PRO O O -2.270 11.392 -6.040 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 2 . 244 . 1 1 8 LEU C C -4.508 10.740 -4.131 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 2 . 245 . 1 1 8 LEU CA C -4.135 9.590 -5.062 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 2 . 246 . 1 1 8 LEU CB C -4.834 8.306 -4.610 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 2 . 247 . 1 1 8 LEU CD1 C -5.338 5.874 -4.949 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 2 . 248 . 1 1 8 LEU CD2 C -5.587 7.477 -6.853 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 2 . 249 . 1 1 8 LEU CG C -4.797 7.139 -5.597 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 2 . 250 . 1 1 8 LEU H H -2.314 8.559 -4.745 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 2 . 251 . 1 1 8 LEU HA H -4.459 9.833 -6.063 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 2 . 252 . 1 1 8 LEU HB2 H -4.365 7.980 -3.695 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 253 . 1 1 8 LEU HB3 H -5.870 8.545 -4.417 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 2 . 254 . 1 1 8 LEU HD11 H -4.800 5.681 -4.033 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 2 . 255 . 1 1 8 LEU HD12 H -5.211 5.041 -5.624 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 2 . 256 . 1 1 8 LEU HD13 H -6.388 6.003 -4.731 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 2 . 257 . 1 1 8 LEU HD21 H -5.727 6.582 -7.441 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 2 . 258 . 1 1 8 LEU HD22 H -5.043 8.208 -7.434 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 2 . 259 . 1 1 8 LEU HD23 H -6.549 7.880 -6.575 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 2 . 260 . 1 1 8 LEU HG H -3.771 6.953 -5.886 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 2 . 261 . 1 1 8 LEU N N -2.690 9.394 -5.094 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 2 . 262 . 1 1 8 LEU O O -5.630 11.245 -4.170 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 2 . 263 . 1 1 9 LEU C C -3.891 13.577 -3.089 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 2 . 264 . 1 1 9 LEU CA C -3.787 12.242 -2.357 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 2 . 265 . 1 1 9 LEU CB C -2.657 12.299 -1.327 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 2 . 266 . 1 1 9 LEU CD1 C -2.428 12.846 1.108 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 2 . 267 . 1 1 9 LEU CD2 C -1.863 14.568 -0.615 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 2 . 268 . 1 1 9 LEU CG C -2.769 13.396 -0.268 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 2 . 269 . 1 1 9 LEU H H -2.685 10.708 -3.312 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 2 . 270 . 1 1 9 LEU HA H -4.719 12.051 -1.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 2 . 271 . 1 1 9 LEU HB2 H -2.627 11.349 -0.817 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 272 . 1 1 9 LEU HB3 H -1.730 12.448 -1.863 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 2 . 273 . 1 1 9 LEU HD11 H -3.123 12.061 1.364 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 2 . 274 . 1 1 9 LEU HD12 H -2.494 13.638 1.839 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 2 . 275 . 1 1 9 LEU HD13 H -1.424 12.448 1.098 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 2 . 276 . 1 1 9 LEU HD21 H -0.994 14.205 -1.145 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 2 . 277 . 1 1 9 LEU HD22 H -1.550 15.063 0.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 2 . 278 . 1 1 9 LEU HD23 H -2.400 15.266 -1.240 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 2 . 279 . 1 1 9 LEU HG H -3.788 13.757 -0.239 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 2 . 280 . 1 1 9 LEU N N -3.559 11.150 -3.297 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 2 . 281 . 1 1 9 LEU O O -4.677 14.447 -2.790 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 2 . 282 . 1 1 10 ABA C C -4.425 15.329 -5.403 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 2 . 283 . 1 1 10 ABA CA C -3.019 15.004 -4.942 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 2 . 284 . 1 1 10 ABA H H -2.367 12.960 -4.348 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 2 . 285 . 1 1 10 ABA N N -3.023 13.761 -4.148 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 2 . 286 . 1 1 10 ABA O O -4.903 16.411 -5.059 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 2 . 287 . 1 1 11 PRO C C -7.492 14.688 -5.527 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 2 . 288 . 1 1 11 PRO CA C -6.460 14.719 -6.649 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 2 . 289 . 1 1 11 PRO CB C -6.711 13.576 -7.637 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 2 . 290 . 1 1 11 PRO CD C -4.593 13.150 -6.612 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 2 . 291 . 1 1 11 PRO CG C -5.812 12.479 -7.181 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 2 . 292 . 1 1 11 PRO HA H -6.522 15.665 -7.168 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 2 . 293 . 1 1 11 PRO HB2 H -7.750 13.281 -7.593 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 294 . 1 1 11 PRO HB3 H -6.463 13.899 -8.637 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 2 . 295 . 1 1 11 PRO HD2 H -4.203 12.583 -5.780 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 2 . 296 . 1 1 11 PRO HD3 H -3.838 13.272 -7.375 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 2 . 297 . 1 1 11 PRO HG2 H -6.305 11.891 -6.422 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 2 . 298 . 1 1 11 PRO HG3 H -5.539 11.856 -8.020 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 2 . 299 . 1 1 11 PRO N N -5.102 14.458 -6.165 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 2 . 300 . 1 1 11 PRO O O -8.393 15.489 -5.419 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 2 . 301 . 1 1 12 DCL C C -7.522 13.843 -2.169 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 2 . 302 . 1 1 12 DCL CA C -8.270 13.510 -3.458 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 2 . 303 . 1 1 12 DCL CB C -8.775 12.061 -3.401 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 2 . 304 . 1 1 12 DCL CD1 C -10.863 11.715 -2.077 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 2 . 305 . 1 1 12 DCL CD2 C -10.759 10.853 -4.407 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 2 . 306 . 1 1 12 DCL CG C -10.306 11.980 -3.477 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 2 . 307 . 1 1 12 DCL HA H -9.140 14.196 -3.572 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 2 . 308 . 1 1 12 DCL HB1 H -8.343 11.496 -4.255 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 2 . 309 . 1 1 12 DCL HB2 H -8.439 11.602 -2.446 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 2 . 310 . 1 1 12 DCL HC1 H -6.656 13.161 -2.025 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 2 . 311 . 1 1 12 DCL HC2 H -7.167 14.896 -2.175 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 2 . 312 . 1 1 12 DCL HD11 H -11.861 12.194 -1.978 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 2 . 313 . 1 1 12 DCL HD12 H -10.960 10.619 -1.919 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 2 . 314 . 1 1 12 DCL HD13 H -10.171 12.140 -1.317 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 2 . 315 . 1 1 12 DCL HD21 H -10.031 10.015 -4.356 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 2 . 316 . 1 1 12 DCL HD22 H -11.762 10.493 -4.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 2 . 317 . 1 1 12 DCL HD23 H -10.812 11.233 -5.450 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 2 . 318 . 1 1 12 DCL HG H -10.690 12.943 -3.878 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 2 . 319 . 1 1 12 DCL HN1 H -6.546 13.020 -4.767 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 2 . 320 . 1 1 12 DCL HXT H -8.588 14.465 -0.451 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 2 . 321 . 1 1 12 DCL N N -7.356 13.674 -4.601 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 2 . 322 . 1 1 12 DCL OXT O -8.395 13.681 -1.062 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 3 . 323 . 1 1 1 ACE C C -0.521 1.719 -0.087 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 3 . 324 . 1 1 1 ACE CH3 C -0.513 0.230 -0.138 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 3 . 325 . 1 1 1 ACE H1 H -0.729 -0.169 0.853 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 3 . 326 . 1 1 1 ACE H2 H -1.271 -0.114 -0.841 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 3 . 327 . 1 1 1 ACE H3 H 0.468 -0.117 -0.463 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 3 . 328 . 1 1 1 ACE O O -1.134 2.434 -0.847 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 3 . 329 . 1 1 2 ABA C C 1.003 4.367 -0.099 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 3 . 330 . 1 1 2 ABA CA C 0.343 3.733 1.107 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 3 . 331 . 1 1 2 ABA H H 0.750 1.588 1.542 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 3 . 332 . 1 1 2 ABA N N 0.244 2.273 0.921 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 3 . 333 . 1 1 2 ABA O O 0.982 5.596 -0.163 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 3 . 334 . 1 1 3 ASN C C 1.205 4.566 -3.254 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 3 . 335 . 1 1 3 ASN CA C 2.231 4.181 -2.192 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 3 . 336 . 1 1 3 ASN CB C 3.241 3.192 -2.778 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 3 . 337 . 1 1 3 ASN CG C 4.675 3.629 -2.552 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 3 . 338 . 1 1 3 ASN H H 1.562 2.630 -0.916 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 3 . 339 . 1 1 3 ASN HA H 2.754 5.071 -1.874 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 3 . 340 . 1 1 3 ASN HB2 H 3.102 2.227 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 341 . 1 1 3 ASN HB3 H 3.073 3.102 -3.841 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 3 . 342 . 1 1 3 ASN HD21 H 4.904 3.967 -4.499 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 3 . 343 . 1 1 3 ASN HD22 H 6.288 4.284 -3.514 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 3 . 344 . 1 1 3 ASN N N 1.577 3.604 -1.023 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 3 . 345 . 1 1 3 ASN ND2 N 5.358 3.998 -3.631 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 3 . 346 . 1 1 3 ASN O O 1.486 5.376 -4.138 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 3 . 347 . 1 1 3 ASN OD1 O 5.164 3.636 -1.422 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 3 . 348 . 1 1 4 ILE C C -1.882 5.463 -3.664 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 3 . 349 . 1 1 4 ILE CA C -1.052 4.264 -4.110 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 3 . 350 . 1 1 4 ILE CB C -1.981 3.050 -4.291 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 3 . 351 . 1 1 4 ILE CD1 C -0.766 1.024 -3.344 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 3 . 352 . 1 1 4 ILE CG1 C -1.161 1.792 -4.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 3 . 353 . 1 1 4 ILE CG2 C -2.982 3.310 -5.408 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 3 . 354 . 1 1 4 ILE H H -0.147 3.345 -2.433 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 3 . 355 . 1 1 4 ILE HA H -0.597 4.490 -5.064 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 3 . 356 . 1 1 4 ILE HB H -2.531 2.906 -3.374 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 3 . 357 . 1 1 4 ILE HD11 H -0.555 -0.002 -3.607 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 3 . 358 . 1 1 4 ILE HD12 H 0.114 1.473 -2.908 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 3 . 359 . 1 1 4 ILE HD13 H -1.576 1.053 -2.630 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 3 . 360 . 1 1 4 ILE HG12 H -1.739 1.132 -5.213 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 3 . 361 . 1 1 4 ILE HG13 H -0.257 2.075 -5.105 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 3 . 362 . 1 1 4 ILE HG21 H -3.980 3.335 -4.997 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 3 . 363 . 1 1 4 ILE HG22 H -2.761 4.258 -5.874 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 3 . 364 . 1 1 4 ILE HG23 H -2.914 2.522 -6.143 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 3 . 365 . 1 1 4 ILE N N 0.016 3.981 -3.159 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 3 . 366 . 1 1 4 ILE O O -2.352 6.247 -4.489 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 3 . 367 . 1 1 5 ILE C C -2.072 8.024 -1.931 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 3 . 368 . 1 1 5 ILE CA C -2.827 6.705 -1.798 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 3 . 369 . 1 1 5 ILE CB C -3.164 6.467 -0.314 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 3 . 370 . 1 1 5 ILE CD1 C -4.351 4.877 1.280 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 3 . 371 . 1 1 5 ILE CG1 C -3.973 5.178 -0.153 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 3 . 372 . 1 1 5 ILE CG2 C -3.928 7.653 0.253 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 3 . 373 . 1 1 5 ILE H H -1.657 4.943 -1.747 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 3 . 374 . 1 1 5 ILE HA H -3.753 6.776 -2.350 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 3 . 375 . 1 1 5 ILE HB H -2.237 6.372 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 3 . 376 . 1 1 5 ILE HD11 H -4.650 3.843 1.365 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 3 . 377 . 1 1 5 ILE HD12 H -3.503 5.062 1.923 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 3 . 378 . 1 1 5 ILE HD13 H -5.173 5.513 1.577 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 3 . 379 . 1 1 5 ILE HG12 H -4.884 5.259 -0.725 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 3 . 380 . 1 1 5 ILE HG13 H -3.391 4.348 -0.525 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 3 . 381 . 1 1 5 ILE HG21 H -4.158 7.470 1.292 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 3 . 382 . 1 1 5 ILE HG22 H -3.323 8.543 0.172 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 3 . 383 . 1 1 5 ILE HG23 H -4.845 7.789 -0.300 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 3 . 384 . 1 1 5 ILE N N -2.056 5.600 -2.354 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 3 . 385 . 1 1 5 ILE O O -2.609 9.089 -2.130 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 3 . 386 . 1 1 6 ABA C C -0.205 9.931 -3.170 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 3 . 387 . 1 1 6 ABA CA C 0.154 9.152 -1.922 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 3 . 388 . 1 1 6 ABA H H -0.300 6.992 -1.640 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 3 . 389 . 1 1 6 ABA N N -0.697 7.953 -1.812 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 3 . 390 . 1 1 6 ABA O O -0.577 11.097 -3.029 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 3 . 391 . 1 1 7 PRO C C -1.924 10.324 -5.763 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 3 . 392 . 1 1 7 PRO CA C -0.429 10.058 -5.621 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 3 . 393 . 1 1 7 PRO CB C 0.049 9.093 -6.709 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 3 . 394 . 1 1 7 PRO CD C 0.332 7.968 -4.618 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 3 . 395 . 1 1 7 PRO CG C 0.004 7.748 -6.069 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 3 . 396 . 1 1 7 PRO HA H 0.111 10.990 -5.701 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 3 . 397 . 1 1 7 PRO HB2 H -0.615 9.149 -7.560 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 398 . 1 1 7 PRO HB3 H 1.052 9.353 -7.010 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 3 . 399 . 1 1 7 PRO HD2 H -0.218 7.277 -3.998 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 3 . 400 . 1 1 7 PRO HD3 H 1.394 7.865 -4.452 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 3 . 401 . 1 1 7 PRO HG2 H -0.985 7.326 -6.170 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 3 . 402 . 1 1 7 PRO HG3 H 0.738 7.100 -6.525 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 3 . 403 . 1 1 7 PRO N N -0.105 9.354 -4.376 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 3 . 404 . 1 1 7 PRO O O -2.334 11.389 -6.227 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 3 . 405 . 1 1 8 LEU C C -4.686 10.587 -4.523 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 3 . 406 . 1 1 8 LEU CA C -4.185 9.480 -5.445 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 3 . 407 . 1 1 8 LEU CB C -4.856 8.155 -5.081 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 3 . 408 . 1 1 8 LEU CD1 C -5.117 5.691 -5.463 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 3 . 409 . 1 1 8 LEU CD2 C -5.396 7.285 -7.370 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 3 . 410 . 1 1 8 LEU CG C -4.655 7.006 -6.071 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 3 . 411 . 1 1 8 LEU H H -2.349 8.525 -5.002 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 3 . 412 . 1 1 8 LEU HA H -4.437 9.734 -6.464 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 3 . 413 . 1 1 8 LEU HB2 H -4.468 7.839 -4.125 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 414 . 1 1 8 LEU HB3 H -5.918 8.336 -4.995 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 3 . 415 . 1 1 8 LEU HD11 H -4.992 4.898 -6.184 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 3 . 416 . 1 1 8 LEU HD12 H -6.159 5.768 -5.189 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 3 . 417 . 1 1 8 LEU HD13 H -4.529 5.475 -4.583 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 3 . 418 . 1 1 8 LEU HD21 H -5.432 6.384 -7.964 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 3 . 419 . 1 1 8 LEU HD22 H -4.880 8.059 -7.920 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 3 . 420 . 1 1 8 LEU HD23 H -6.402 7.611 -7.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 3 . 421 . 1 1 8 LEU HG H -3.602 6.916 -6.298 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 3 . 422 . 1 1 8 LEU N N -2.734 9.350 -5.362 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 3 . 423 . 1 1 8 LEU O O -5.825 11.042 -4.643 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 3 . 424 . 1 1 9 LEU C C -4.292 13.422 -3.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 3 . 425 . 1 1 9 LEU CA C -4.183 12.075 -2.664 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 3 . 426 . 1 1 9 LEU CB C -3.144 12.157 -1.544 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 3 . 427 . 1 1 9 LEU CD1 C -3.522 12.576 0.898 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 3 . 428 . 1 1 9 LEU CD2 C -2.277 14.253 -0.477 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 3 . 429 . 1 1 9 LEU CG C -3.394 13.220 -0.473 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 3 . 430 . 1 1 9 LEU H H -2.936 10.618 -3.558 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 3 . 431 . 1 1 9 LEU HA H -5.143 11.829 -2.236 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 3 . 432 . 1 1 9 LEU HB2 H -3.110 11.196 -1.054 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 433 . 1 1 9 LEU HB3 H -2.185 12.362 -1.998 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 3 . 434 . 1 1 9 LEU HD11 H -2.541 12.327 1.272 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 3 . 435 . 1 1 9 LEU HD12 H -4.117 11.678 0.820 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 3 . 436 . 1 1 9 LEU HD13 H -4.002 13.267 1.576 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 3 . 437 . 1 1 9 LEU HD21 H -2.639 15.176 -0.048 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 3 . 438 . 1 1 9 LEU HD22 H -1.955 14.432 -1.493 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 3 . 439 . 1 1 9 LEU HD23 H -1.445 13.886 0.105 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 3 . 440 . 1 1 9 LEU HG H -4.323 13.730 -0.691 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 3 . 441 . 1 1 9 LEU N N -3.829 11.019 -3.605 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 3 . 442 . 1 1 9 LEU O O -5.140 14.247 -3.120 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 3 . 443 . 1 1 10 ABA C C -4.719 15.207 -5.683 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 3 . 444 . 1 1 10 ABA CA C -3.342 14.935 -5.115 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 3 . 445 . 1 1 10 ABA H H -2.643 12.908 -4.515 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 3 . 446 . 1 1 10 ABA N N -3.350 13.673 -4.351 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 3 . 447 . 1 1 10 ABA O O -5.275 16.256 -5.357 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 3 . 448 . 1 1 11 PRO C C -7.731 14.429 -6.074 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 3 . 449 . 1 1 11 PRO CA C -6.614 14.535 -7.107 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 3 . 450 . 1 1 11 PRO CB C -6.728 13.408 -8.136 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 3 . 451 . 1 1 11 PRO CD C -4.683 13.054 -6.950 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 3 . 452 . 1 1 11 PRO CG C -5.818 12.342 -7.632 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 3 . 453 . 1 1 11 PRO HA H -6.679 15.490 -7.608 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 3 . 454 . 1 1 11 PRO HB2 H -7.752 13.064 -8.185 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 455 . 1 1 11 PRO HB3 H -6.416 13.767 -9.105 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 3 . 456 . 1 1 11 PRO HD2 H -4.335 12.484 -6.101 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 3 . 457 . 1 1 11 PRO HD3 H -3.876 13.230 -7.645 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 3 . 458 . 1 1 11 PRO HG2 H -6.343 11.713 -6.929 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 3 . 459 . 1 1 11 PRO HG3 H -5.448 11.754 -8.459 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 3 . 460 . 1 1 11 PRO N N -5.289 14.325 -6.518 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 3 . 461 . 1 1 11 PRO O O -8.874 14.769 -6.281 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 3 . 462 . 1 1 12 DCL C C -8.478 15.070 -2.998 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 3 . 463 . 1 1 12 DCL CA C -8.340 13.744 -3.744 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 3 . 464 . 1 1 12 DCL CB C -7.843 12.659 -2.777 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 3 . 465 . 1 1 12 DCL CD1 C -8.242 12.450 -0.322 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 3 . 466 . 1 1 12 DCL CD2 C -9.412 10.893 -1.869 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 3 . 467 . 1 1 12 DCL CG C -8.886 12.320 -1.704 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 3 . 468 . 1 1 12 DCL HA H -9.331 13.442 -4.152 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 3 . 469 . 1 1 12 DCL HB1 H -7.613 11.740 -3.358 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 3 . 470 . 1 1 12 DCL HB2 H -6.919 13.021 -2.277 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 3 . 471 . 1 1 12 DCL HC1 H -9.312 15.676 -3.415 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 3 . 472 . 1 1 12 DCL HC2 H -8.650 14.901 -1.913 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 3 . 473 . 1 1 12 DCL HD11 H -7.878 13.490 -0.179 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 3 . 474 . 1 1 12 DCL HD12 H -8.993 12.208 0.461 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 3 . 475 . 1 1 12 DCL HD13 H -7.386 11.744 -0.245 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 3 . 476 . 1 1 12 DCL HD21 H -10.164 10.867 -2.686 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 3 . 477 . 1 1 12 DCL HD22 H -8.567 10.215 -2.121 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 3 . 478 . 1 1 12 DCL HD23 H -9.885 10.560 -0.920 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 3 . 479 . 1 1 12 DCL HG H -9.740 13.023 -1.807 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 3 . 480 . 1 1 12 DCL HN1 H -6.364 13.638 -4.746 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 3 . 481 . 1 1 12 DCL HXT H -6.754 16.093 -2.320 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 3 . 482 . 1 1 12 DCL N N -7.378 13.910 -4.845 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 3 . 483 . 1 1 12 DCL OXT O -7.280 15.818 -3.141 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 4 . 484 . 1 1 1 ACE C C -0.281 1.770 -0.003 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 4 . 485 . 1 1 1 ACE CH3 C -0.321 0.281 -0.031 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 4 . 486 . 1 1 1 ACE H1 H -0.149 -0.106 0.973 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 4 . 487 . 1 1 1 ACE H2 H -1.297 -0.050 -0.385 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 4 . 488 . 1 1 1 ACE H3 H 0.454 -0.091 -0.701 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 4 . 489 . 1 1 1 ACE O O -0.939 2.494 -0.715 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 4 . 490 . 1 1 2 ABA C C 1.314 4.370 -0.193 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 4 . 491 . 1 1 2 ABA CA C 0.747 3.772 1.077 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 4 . 492 . 1 1 2 ABA H H 1.128 1.621 1.507 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 4 . 493 . 1 1 2 ABA N N 0.589 2.314 0.923 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 4 . 494 . 1 1 2 ABA O O 1.323 5.598 -0.274 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 4 . 495 . 1 1 3 ASN C C 1.235 4.523 -3.356 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 4 . 496 . 1 1 3 ASN CA C 2.341 4.120 -2.385 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 4 . 497 . 1 1 3 ASN CB C 3.264 3.093 -3.044 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 4 . 498 . 1 1 3 ASN CG C 4.598 3.690 -3.449 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 4 . 499 . 1 1 3 ASN H H 1.745 2.606 -1.031 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 4 . 500 . 1 1 3 ASN HA H 2.917 4.996 -2.130 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 4 . 501 . 1 1 3 ASN HB2 H 3.449 2.286 -2.350 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 502 . 1 1 3 ASN HB3 H 2.783 2.699 -3.927 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 4 . 503 . 1 1 3 ASN HD21 H 4.451 2.857 -5.250 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 4 . 504 . 1 1 3 ASN HD22 H 5.877 3.792 -4.967 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 4 . 505 . 1 1 3 ASN N N 1.779 3.578 -1.153 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 4 . 506 . 1 1 3 ASN ND2 N 5.018 3.419 -4.680 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 4 . 507 . 1 1 3 ASN O O 1.458 5.312 -4.274 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 4 . 508 . 1 1 3 ASN OD1 O 5.242 4.386 -2.665 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 4 . 509 . 1 1 4 ILE C C -1.849 5.509 -3.500 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 4 . 510 . 1 1 4 ILE CA C -1.098 4.279 -4.001 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 4 . 511 . 1 1 4 ILE CB C -2.076 3.092 -4.078 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 4 . 512 . 1 1 4 ILE CD1 C -0.840 1.042 -3.214 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 4 . 513 . 1 1 4 ILE CG1 C -1.324 1.806 -4.426 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 4 . 514 . 1 1 4 ILE CG2 C -3.165 3.368 -5.104 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 4 . 515 . 1 1 4 ILE H H -0.073 3.354 -2.398 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 4 . 516 . 1 1 4 ILE HA H -0.726 4.479 -4.995 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 4 . 517 . 1 1 4 ILE HB H -2.545 2.976 -3.113 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 4 . 518 . 1 1 4 ILE HD11 H -0.684 0.006 -3.478 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 4 . 519 . 1 1 4 ILE HD12 H 0.088 1.469 -2.865 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 4 . 520 . 1 1 4 ILE HD13 H -1.581 1.104 -2.430 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 4 . 521 . 1 1 4 ILE HG12 H -1.975 1.156 -4.989 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 4 . 522 . 1 1 4 ILE HG13 H -0.462 2.054 -5.029 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 4 . 523 . 1 1 4 ILE HG21 H -3.040 4.365 -5.501 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 4 . 524 . 1 1 4 ILE HG22 H -3.094 2.650 -5.907 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 4 . 525 . 1 1 4 ILE HG23 H -4.133 3.288 -4.632 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 4 . 526 . 1 1 4 ILE N N 0.042 3.976 -3.146 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 4 . 527 . 1 1 4 ILE O O -2.368 6.296 -4.291 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 4 . 528 . 1 1 5 ILE C C -1.805 8.096 -1.796 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 4 . 529 . 1 1 5 ILE CA C -2.584 6.803 -1.576 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 4 . 530 . 1 1 5 ILE CB C -2.792 6.594 -0.064 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 4 . 531 . 1 1 5 ILE CD1 C -3.876 5.062 1.655 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 4 . 532 . 1 1 5 ILE CG1 C -3.621 5.333 0.189 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 4 . 533 . 1 1 5 ILE CG2 C -3.466 7.811 0.551 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 4 . 534 . 1 1 5 ILE H H -1.467 5.006 -1.603 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 4 . 535 . 1 1 5 ILE HA H -3.554 6.896 -2.043 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 4 . 536 . 1 1 5 ILE HB H -1.823 6.478 0.397 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 4 . 537 . 1 1 5 ILE HD11 H -3.168 5.617 2.253 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 4 . 538 . 1 1 5 ILE HD12 H -4.880 5.367 1.909 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 4 . 539 . 1 1 5 ILE HD13 H -3.760 4.006 1.851 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 4 . 540 . 1 1 5 ILE HG12 H -4.577 5.434 -0.300 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 4 . 541 . 1 1 5 ILE HG13 H -3.099 4.480 -0.221 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 4 . 542 . 1 1 5 ILE HG21 H -2.845 8.681 0.402 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 4 . 543 . 1 1 5 ILE HG22 H -4.424 7.968 0.078 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 4 . 544 . 1 1 5 ILE HG23 H -3.609 7.647 1.609 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 4 . 545 . 1 1 5 ILE N N -1.900 5.668 -2.182 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 4 . 546 . 1 1 5 ILE O O -2.327 9.175 -1.963 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 4 . 547 . 1 1 6 ABA C C -0.002 9.929 -3.228 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 4 . 548 . 1 1 6 ABA CA C 0.445 9.155 -2.006 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 4 . 549 . 1 1 6 ABA H H -0.046 7.013 -1.650 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 4 . 550 . 1 1 6 ABA N N -0.428 7.984 -1.801 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 4 . 551 . 1 1 6 ABA O O -0.325 11.107 -3.073 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 4 . 552 . 1 1 7 PRO C C -1.937 10.341 -5.662 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 4 . 553 . 1 1 7 PRO CA C -0.444 10.031 -5.650 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 4 . 554 . 1 1 7 PRO CB C -0.096 9.038 -6.762 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 4 . 555 . 1 1 7 PRO CD C 0.343 7.932 -4.689 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 4 . 556 . 1 1 7 PRO CG C -0.122 7.704 -6.101 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 4 . 557 . 1 1 7 PRO HA H 0.114 10.945 -5.794 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 4 . 558 . 1 1 7 PRO HB2 H -0.832 9.104 -7.551 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 559 . 1 1 7 PRO HB3 H 0.884 9.263 -7.157 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 4 . 560 . 1 1 7 PRO HD2 H -0.169 7.266 -4.011 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 4 . 561 . 1 1 7 PRO HD3 H 1.412 7.798 -4.618 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 4 . 562 . 1 1 7 PRO HG2 H -1.128 7.311 -6.105 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 4 . 563 . 1 1 7 PRO HG3 H 0.548 7.028 -6.611 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 4 . 564 . 1 1 7 PRO N N -0.029 9.333 -4.430 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 4 . 565 . 1 1 7 PRO O O -2.355 11.413 -6.103 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 4 . 566 . 1 1 8 LEU C C -4.566 10.706 -4.182 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 4 . 567 . 1 1 8 LEU CA C -4.184 9.572 -5.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 4 . 568 . 1 1 8 LEU CB C -4.859 8.273 -4.685 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 4 . 569 . 1 1 8 LEU CD1 C -5.225 5.814 -5.003 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 4 . 570 . 1 1 8 LEU CD2 C -5.629 7.391 -6.901 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 4 . 571 . 1 1 8 LEU CG C -4.782 7.106 -5.670 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 4 . 572 . 1 1 8 LEU H H -2.344 8.566 -4.838 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 4 . 573 . 1 1 8 LEU HA H -4.520 9.821 -6.124 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 4 . 574 . 1 1 8 LEU HB2 H -4.395 7.957 -3.763 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 575 . 1 1 8 LEU HB3 H -5.903 8.488 -4.506 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 4 . 576 . 1 1 8 LEU HD11 H -6.229 5.930 -4.624 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 4 . 577 . 1 1 8 LEU HD12 H -4.557 5.582 -4.187 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 4 . 578 . 1 1 8 LEU HD13 H -5.203 5.010 -5.725 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 4 . 579 . 1 1 8 LEU HD21 H -5.758 6.481 -7.468 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 4 . 580 . 1 1 8 LEU HD22 H -5.135 8.130 -7.515 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 4 . 581 . 1 1 8 LEU HD23 H -6.595 7.764 -6.595 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 4 . 582 . 1 1 8 LEU HG H -3.756 6.981 -5.991 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 4 . 583 . 1 1 8 LEU N N -2.736 9.399 -5.175 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 4 . 584 . 1 1 8 LEU O O -5.697 11.193 -4.206 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 4 . 585 . 1 1 9 LEU C C -3.986 13.541 -3.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 4 . 586 . 1 1 9 LEU CA C -3.853 12.201 -2.399 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 4 . 587 . 1 1 9 LEU CB C -2.715 12.265 -1.378 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 4 . 588 . 1 1 9 LEU CD1 C -4.094 13.144 0.522 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 4 . 589 . 1 1 9 LEU CD2 C -1.603 13.355 0.586 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 4 . 590 . 1 1 9 LEU CG C -2.835 13.349 -0.306 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 4 . 591 . 1 1 9 LEU H H -2.736 10.695 -3.379 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 4 . 592 . 1 1 9 LEU HA H -4.778 11.990 -1.882 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 4 . 593 . 1 1 9 LEU HB2 H -2.665 11.310 -0.878 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 594 . 1 1 9 LEU HB3 H -1.796 12.434 -1.920 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 4 . 595 . 1 1 9 LEU HD11 H -4.722 14.018 0.445 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 4 . 596 . 1 1 9 LEU HD12 H -3.823 12.985 1.555 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 4 . 597 . 1 1 9 LEU HD13 H -4.630 12.281 0.154 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 4 . 598 . 1 1 9 LEU HD21 H -0.715 13.314 -0.027 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 4 . 599 . 1 1 9 LEU HD22 H -1.628 12.496 1.241 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 4 . 600 . 1 1 9 LEU HD23 H -1.591 14.259 1.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 4 . 601 . 1 1 9 LEU HG H -2.906 14.315 -0.787 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 4 . 602 . 1 1 9 LEU N N -3.617 11.122 -3.352 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 4 . 603 . 1 1 9 LEU O O -4.783 14.395 -2.800 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 4 . 604 . 1 1 10 ABA C C -4.567 15.309 -5.406 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 4 . 605 . 1 1 10 ABA CA C -3.153 15.002 -4.960 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 4 . 606 . 1 1 10 ABA H H -2.463 12.963 -4.394 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 4 . 607 . 1 1 10 ABA N N -3.130 13.751 -4.179 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 4 . 608 . 1 1 10 ABA O O -5.061 16.379 -5.047 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 4 . 609 . 1 1 11 PRO C C -7.625 14.619 -5.511 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 4 . 610 . 1 1 11 PRO CA C -6.603 14.678 -6.642 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 4 . 611 . 1 1 11 PRO CB C -6.843 13.542 -7.639 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 4 . 612 . 1 1 11 PRO CD C -4.711 13.140 -6.637 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 4 . 613 . 1 1 11 PRO CG C -5.923 12.455 -7.202 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 4 . 614 . 1 1 11 PRO HA H -6.685 15.628 -7.149 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 4 . 615 . 1 1 11 PRO HB2 H -7.877 13.229 -7.590 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 616 . 1 1 11 PRO HB3 H -6.610 13.879 -8.637 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 4 . 617 . 1 1 11 PRO HD2 H -4.304 12.571 -5.814 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 4 . 618 . 1 1 11 PRO HD3 H -3.964 13.282 -7.405 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 4 . 619 . 1 1 11 PRO HG2 H -6.401 11.852 -6.445 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 4 . 620 . 1 1 11 PRO HG3 H -5.647 11.845 -8.050 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 4 . 621 . 1 1 11 PRO N N -5.237 14.435 -6.171 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 4 . 622 . 1 1 11 PRO O O -8.561 15.379 -5.410 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 4 . 623 . 1 1 12 DCL C C -7.697 14.078 -2.181 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 4 . 624 . 1 1 12 DCL CA C -8.332 13.443 -3.417 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 4 . 625 . 1 1 12 DCL CB C -8.554 11.943 -3.168 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 4 . 626 . 1 1 12 DCL CD1 C -10.559 11.853 -4.653 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 4 . 627 . 1 1 12 DCL CD2 C -10.872 12.353 -2.237 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 4 . 628 . 1 1 12 DCL CG C -10.038 11.559 -3.244 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 4 . 629 . 1 1 12 DCL HA H -9.314 13.927 -3.623 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 4 . 630 . 1 1 12 DCL HB1 H -7.994 11.366 -3.935 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 4 . 631 . 1 1 12 DCL HB2 H -8.169 11.687 -2.158 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 4 . 632 . 1 1 12 DCL HC1 H -8.441 14.181 -1.361 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 4 . 633 . 1 1 12 DCL HC2 H -6.833 13.478 -1.824 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 4 . 634 . 1 1 12 DCL HD11 H -10.638 12.951 -4.797 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 4 . 635 . 1 1 12 DCL HD12 H -9.856 11.429 -5.402 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 4 . 636 . 1 1 12 DCL HD13 H -11.562 11.389 -4.780 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 4 . 637 . 1 1 12 DCL HD21 H -10.291 12.486 -1.299 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 4 . 638 . 1 1 12 DCL HD22 H -11.118 13.349 -2.664 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 4 . 639 . 1 1 12 DCL HD23 H -11.810 11.801 -2.016 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 4 . 640 . 1 1 12 DCL HG H -10.135 10.478 -3.007 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 4 . 641 . 1 1 12 DCL HN1 H -6.597 13.010 -4.729 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 4 . 642 . 1 1 12 DCL HXT H -6.243 15.600 -2.397 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 4 . 643 . 1 1 12 DCL N N -7.435 13.629 -4.569 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 4 . 644 . 1 1 12 DCL OXT O -7.224 15.375 -2.509 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 5 . 645 . 1 1 1 ACE C C -0.076 1.850 0.084 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 5 . 646 . 1 1 1 ACE CH3 C -0.120 0.361 0.120 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 5 . 647 . 1 1 1 ACE H1 H 0.602 -0.041 -0.590 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 5 . 648 . 1 1 1 ACE H2 H 0.125 0.014 1.123 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 5 . 649 . 1 1 1 ACE H3 H -1.121 0.020 -0.148 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 5 . 650 . 1 1 1 ACE O O -0.772 2.547 -0.619 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 5 . 651 . 1 1 2 ABA C C 1.506 4.434 -0.302 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 5 . 652 . 1 1 2 ABA CA C 1.014 3.890 1.023 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 5 . 653 . 1 1 2 ABA H H 1.414 1.757 1.519 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 5 . 654 . 1 1 2 ABA N N 0.845 2.427 0.937 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 5 . 655 . 1 1 2 ABA O O 1.517 5.657 -0.431 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 5 . 656 . 1 1 3 ASN C C 1.236 4.472 -3.455 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 5 . 657 . 1 1 3 ASN CA C 2.397 4.090 -2.541 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 5 . 658 . 1 1 3 ASN CB C 3.265 3.028 -3.217 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 5 . 659 . 1 1 3 ASN CG C 4.737 3.394 -3.211 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 5 . 660 . 1 1 3 ASN H H 1.875 2.636 -1.094 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 5 . 661 . 1 1 3 ASN HA H 2.997 4.968 -2.354 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 5 . 662 . 1 1 3 ASN HB2 H 3.146 2.089 -2.697 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 663 . 1 1 3 ASN HB3 H 2.947 2.910 -4.242 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 5 . 664 . 1 1 3 ASN HD21 H 5.001 2.466 -4.949 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 5 . 665 . 1 1 3 ASN HD22 H 6.409 3.201 -4.269 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 5 . 666 . 1 1 3 ASN N N 1.908 3.601 -1.257 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 5 . 667 . 1 1 3 ASN ND2 N 5.455 2.979 -4.248 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 5 . 668 . 1 1 3 ASN O O 1.413 5.214 -4.422 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 5 . 669 . 1 1 3 ASN OD1 O 5.222 4.043 -2.284 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 5 . 670 . 1 1 4 ILE C C -1.859 5.488 -3.412 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 5 . 671 . 1 1 4 ILE CA C -1.139 4.250 -3.934 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 5 . 672 . 1 1 4 ILE CB C -2.118 3.061 -3.933 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 5 . 673 . 1 1 4 ILE CD1 C -2.330 0.590 -4.503 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 5 . 674 . 1 1 4 ILE CG1 C -1.436 1.810 -4.489 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 5 . 675 . 1 1 4 ILE CG2 C -3.360 3.398 -4.744 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 5 . 676 . 1 1 4 ILE H H -0.027 3.376 -2.360 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 5 . 677 . 1 1 4 ILE HA H -0.825 4.431 -4.952 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 5 . 678 . 1 1 4 ILE HB H -2.422 2.875 -2.914 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 5 . 679 . 1 1 4 ILE HD11 H -2.886 0.539 -3.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 5 . 680 . 1 1 4 ILE HD12 H -3.016 0.655 -5.334 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 5 . 681 . 1 1 4 ILE HD13 H -1.724 -0.299 -4.607 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 5 . 682 . 1 1 4 ILE HG12 H -1.119 2.000 -5.502 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 5 . 683 . 1 1 4 ILE HG13 H -0.571 1.581 -3.882 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 5 . 684 . 1 1 4 ILE HG21 H -4.228 3.372 -4.101 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 5 . 685 . 1 1 4 ILE HG22 H -3.257 4.386 -5.167 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 5 . 686 . 1 1 4 ILE HG23 H -3.479 2.676 -5.538 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 5 . 687 . 1 1 4 ILE N N 0.051 3.961 -3.142 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 5 . 688 . 1 1 4 ILE O O -2.388 6.284 -4.188 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 5 . 689 . 1 1 5 ILE C C -1.731 8.069 -1.696 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 5 . 690 . 1 1 5 ILE CA C -2.527 6.788 -1.467 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 5 . 691 . 1 1 5 ILE CB C -2.709 6.574 0.047 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 5 . 692 . 1 1 5 ILE CD1 C -3.666 4.977 1.783 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 5 . 693 . 1 1 5 ILE CG1 C -3.440 5.256 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 5 . 694 . 1 1 5 ILE CG2 C -3.470 7.740 0.660 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 5 . 695 . 1 1 5 ILE H H -1.435 4.977 -1.527 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 5 . 696 . 1 1 5 ILE HA H -3.504 6.900 -1.915 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 5 . 697 . 1 1 5 ILE HB H -1.732 6.534 0.502 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 5 . 698 . 1 1 5 ILE HD11 H -4.604 5.412 2.092 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 5 . 699 . 1 1 5 ILE HD12 H -3.691 3.910 1.947 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 5 . 700 . 1 1 5 ILE HD13 H -2.861 5.410 2.359 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 5 . 701 . 1 1 5 ILE HG12 H -4.403 5.281 -0.171 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 5 . 702 . 1 1 5 ILE HG13 H -2.858 4.442 -0.095 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 5 . 703 . 1 1 5 ILE HG21 H -4.428 7.396 1.020 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 5 . 704 . 1 1 5 ILE HG22 H -2.902 8.147 1.483 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 5 . 705 . 1 1 5 ILE HG23 H -3.620 8.505 -0.088 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 5 . 706 . 1 1 5 ILE N N -1.874 5.645 -2.093 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 5 . 707 . 1 1 5 ILE O O -2.238 9.157 -1.848 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 5 . 708 . 1 1 6 ABA C C 0.076 9.879 -3.151 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 5 . 709 . 1 1 6 ABA CA C 0.532 9.092 -1.941 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 5 . 710 . 1 1 6 ABA H H 0.012 6.957 -1.586 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 5 . 711 . 1 1 6 ABA N N -0.356 7.935 -1.726 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 5 . 712 . 1 1 6 ABA O O -0.221 11.062 -2.985 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 5 . 713 . 1 1 7 PRO C C -1.897 10.338 -5.545 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 5 . 714 . 1 1 7 PRO CA C -0.411 9.999 -5.564 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 5 . 715 . 1 1 7 PRO CB C -0.103 9.004 -6.686 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 5 . 716 . 1 1 7 PRO CD C 0.354 7.882 -4.626 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 5 . 717 . 1 1 7 PRO CG C -0.143 7.668 -6.029 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 5 . 718 . 1 1 7 PRO HA H 0.161 10.903 -5.715 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 5 . 719 . 1 1 7 PRO HB2 H -0.854 9.087 -7.460 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 720 . 1 1 7 PRO HB3 H 0.872 9.212 -7.099 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 5 . 721 . 1 1 7 PRO HD2 H -0.157 7.222 -3.940 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 5 . 722 . 1 1 7 PRO HD3 H 1.422 7.727 -4.576 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 5 . 723 . 1 1 7 PRO HG2 H -1.155 7.295 -6.015 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 5 . 724 . 1 1 7 PRO HG3 H 0.505 6.981 -6.554 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 5 . 725 . 1 1 7 PRO N N 0.014 9.289 -4.354 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 5 . 726 . 1 1 7 PRO O O -2.303 11.421 -5.968 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 5 . 727 . 1 1 8 LEU C C -4.492 10.740 -4.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 5 . 728 . 1 1 8 LEU CA C -4.148 9.607 -4.977 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 5 . 729 . 1 1 8 LEU CB C -4.840 8.317 -4.530 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 5 . 730 . 1 1 8 LEU CD1 C -5.357 5.892 -4.896 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 5 . 731 . 1 1 8 LEU CD2 C -5.645 7.525 -6.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 5 . 732 . 1 1 8 LEU CG C -4.827 7.166 -5.536 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 5 . 733 . 1 1 8 LEU H H -2.324 8.563 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 5 . 734 . 1 1 8 LEU HA H -4.498 9.869 -5.964 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 5 . 735 . 1 1 8 LEU HB2 H -4.352 7.975 -3.630 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 736 . 1 1 8 LEU HB3 H -5.871 8.555 -4.310 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 5 . 737 . 1 1 8 LEU HD11 H -5.264 5.073 -5.593 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 5 . 738 . 1 1 8 LEU HD12 H -6.396 6.026 -4.634 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 5 . 739 . 1 1 8 LEU HD13 H -4.787 5.673 -4.005 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 5 . 740 . 1 1 8 LEU HD21 H -6.536 8.056 -6.466 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 5 . 741 . 1 1 8 LEU HD22 H -5.924 6.622 -7.291 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 5 . 742 . 1 1 8 LEU HD23 H -5.056 8.152 -7.421 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 5 . 743 . 1 1 8 LEU HG H -3.809 6.982 -5.851 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 5 . 744 . 1 1 8 LEU N N -2.705 9.406 -5.052 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 5 . 745 . 1 1 8 LEU O O -5.614 11.249 -4.015 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 5 . 746 . 1 1 9 LEU C C -3.838 13.557 -2.941 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 5 . 747 . 1 1 9 LEU CA C -3.717 12.210 -2.237 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 5 . 748 . 1 1 9 LEU CB C -2.558 12.246 -1.238 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 5 . 749 . 1 1 9 LEU CD1 C -2.151 14.650 -0.658 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 5 . 750 . 1 1 9 LEU CD2 C -4.078 13.428 0.367 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 5 . 751 . 1 1 9 LEU CG C -2.649 13.309 -0.143 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 5 . 752 . 1 1 9 LEU H H -2.647 10.690 -3.249 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 5 . 753 . 1 1 9 LEU HA H -4.635 12.012 -1.703 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 5 . 754 . 1 1 9 LEU HB2 H -2.505 11.280 -0.759 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 755 . 1 1 9 LEU HB3 H -1.648 12.420 -1.795 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 5 . 756 . 1 1 9 LEU HD11 H -1.528 15.114 0.092 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 5 . 757 . 1 1 9 LEU HD12 H -2.994 15.289 -0.872 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 5 . 758 . 1 1 9 LEU HD13 H -1.576 14.498 -1.560 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 5 . 759 . 1 1 9 LEU HD21 H -4.581 12.480 0.252 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 5 . 760 . 1 1 9 LEU HD22 H -4.600 14.184 -0.202 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 5 . 761 . 1 1 9 LEU HD23 H -4.065 13.706 1.410 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 5 . 762 . 1 1 9 LEU HG H -2.020 13.016 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 5 . 763 . 1 1 9 LEU N N -3.519 11.133 -3.201 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 5 . 764 . 1 1 9 LEU O O -4.613 14.423 -2.605 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 5 . 765 . 1 1 10 ABA C C -4.431 15.351 -5.208 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 5 . 766 . 1 1 10 ABA CA C -3.015 15.015 -4.792 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 5 . 767 . 1 1 10 ABA H H -2.352 12.960 -4.253 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 5 . 768 . 1 1 10 ABA N N -2.999 13.759 -4.020 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 5 . 769 . 1 1 10 ABA O O -4.898 16.427 -4.833 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 5 . 770 . 1 1 11 PRO C C -7.502 14.718 -5.259 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 5 . 771 . 1 1 11 PRO CA C -6.502 14.767 -6.409 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 5 . 772 . 1 1 11 PRO CB C -6.781 13.642 -7.409 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 5 . 773 . 1 1 11 PRO CD C -4.638 13.195 -6.451 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 5 . 774 . 1 1 11 PRO CG C -5.873 12.535 -6.998 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 5 . 775 . 1 1 11 PRO HA H -6.576 15.721 -6.909 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 5 . 776 . 1 1 11 PRO HB2 H -7.820 13.348 -7.343 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 777 . 1 1 11 PRO HB3 H -6.561 13.982 -8.410 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 5 . 778 . 1 1 11 PRO HD2 H -4.226 12.612 -5.640 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 5 . 779 . 1 1 11 PRO HD3 H -3.904 13.328 -7.232 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 5 . 780 . 1 1 11 PRO HG2 H -6.347 11.935 -6.236 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 5 . 781 . 1 1 11 PRO HG3 H -5.625 11.927 -7.856 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 5 . 782 . 1 1 11 PRO N N -5.131 14.495 -5.967 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 5 . 783 . 1 1 11 PRO O O -8.403 15.514 -5.117 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 5 . 784 . 1 1 12 DCL C C -7.378 13.555 -1.912 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 5 . 785 . 1 1 12 DCL CA C -8.219 13.511 -3.186 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 5 . 786 . 1 1 12 DCL CB C -8.936 12.156 -3.283 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 5 . 787 . 1 1 12 DCL CD1 C -11.228 11.214 -2.987 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 5 . 788 . 1 1 12 DCL CD2 C -10.604 12.192 -5.186 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 5 . 789 . 1 1 12 DCL CG C -10.412 12.311 -3.674 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 5 . 790 . 1 1 12 DCL HA H -8.979 14.325 -3.159 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 5 . 791 . 1 1 12 DCL HB1 H -8.425 11.534 -4.050 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 5 . 792 . 1 1 12 DCL HB2 H -8.877 11.648 -2.297 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 5 . 793 . 1 1 12 DCL HC1 H -6.595 12.766 -1.925 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 5 . 794 . 1 1 12 DCL HC2 H -6.899 14.549 -1.784 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 5 . 795 . 1 1 12 DCL HD11 H -11.789 11.648 -2.132 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 5 . 796 . 1 1 12 DCL HD12 H -11.944 10.775 -3.715 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 5 . 797 . 1 1 12 DCL HD13 H -10.543 10.421 -2.616 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 5 . 798 . 1 1 12 DCL HD21 H -10.749 11.124 -5.459 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 5 . 799 . 1 1 12 DCL HD22 H -11.499 12.777 -5.493 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 5 . 800 . 1 1 12 DCL HD23 H -9.705 12.587 -5.706 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 5 . 801 . 1 1 12 DCL HG H -10.758 13.317 -3.353 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 5 . 802 . 1 1 12 DCL HN1 H -6.530 13.044 -4.547 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 5 . 803 . 1 1 12 DCL HXT H -8.283 14.020 -0.056 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 5 . 804 . 1 1 12 DCL N N -7.337 13.693 -4.351 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 5 . 805 . 1 1 12 DCL OXT O -8.214 13.324 -0.787 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 6 . 806 . 1 1 1 ACE C C -0.120 1.827 -0.075 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 6 . 807 . 1 1 1 ACE CH3 C -0.160 0.338 -0.060 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 6 . 808 . 1 1 1 ACE H1 H 0.612 -0.053 -0.723 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 6 . 809 . 1 1 1 ACE H2 H 0.017 -0.020 0.954 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 6 . 810 . 1 1 1 ACE H3 H -1.138 -0.003 -0.400 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 6 . 811 . 1 1 1 ACE O O -0.806 2.531 -0.781 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 6 . 812 . 1 1 2 ABA C C 1.460 4.421 -0.401 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 6 . 813 . 1 1 2 ABA CA C 0.948 3.858 0.908 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 6 . 814 . 1 1 2 ABA H H 1.347 1.720 1.383 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 6 . 815 . 1 1 2 ABA N N 0.785 2.396 0.801 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 6 . 816 . 1 1 2 ABA O O 1.470 5.646 -0.514 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 6 . 817 . 1 1 3 ASN C C 1.243 4.501 -3.557 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 6 . 818 . 1 1 3 ASN CA C 2.389 4.109 -2.629 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 6 . 819 . 1 1 3 ASN CB C 3.271 3.058 -3.306 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 6 . 820 . 1 1 3 ASN CG C 4.740 3.236 -2.973 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 6 . 821 . 1 1 3 ASN H H 1.848 2.634 -1.211 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 6 . 822 . 1 1 3 ASN HA H 2.984 4.986 -2.421 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 6 . 823 . 1 1 3 ASN HB2 H 2.965 2.075 -2.978 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 824 . 1 1 3 ASN HB3 H 3.152 3.130 -4.376 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 6 . 825 . 1 1 3 ASN HD21 H 4.467 2.383 -1.198 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 6 . 826 . 1 1 3 ASN HD22 H 6.080 2.896 -1.545 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 6 . 827 . 1 1 3 ASN N N 1.880 3.602 -1.360 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 6 . 828 . 1 1 3 ASN ND2 N 5.136 2.793 -1.785 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 6 . 829 . 1 1 3 ASN O O 1.434 5.256 -4.511 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 6 . 830 . 1 1 3 ASN OD1 O 5.510 3.764 -3.776 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 6 . 831 . 1 1 4 ILE C C -1.853 5.512 -3.554 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 6 . 832 . 1 1 4 ILE CA C -1.123 4.279 -4.078 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 6 . 833 . 1 1 4 ILE CB C -2.102 3.090 -4.105 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 6 . 834 . 1 1 4 ILE CD1 C -2.303 0.625 -4.705 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 6 . 835 . 1 1 4 ILE CG1 C -1.409 1.845 -4.661 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 6 . 836 . 1 1 4 ILE CG2 C -3.330 3.435 -4.933 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 6 . 837 . 1 1 4 ILE H H -0.035 3.388 -2.497 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 6 . 838 . 1 1 4 ILE HA H -0.794 4.472 -5.089 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 6 . 839 . 1 1 4 ILE HB H -2.423 2.894 -3.093 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 6 . 840 . 1 1 4 ILE HD11 H -1.695 -0.266 -4.764 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 6 . 841 . 1 1 4 ILE HD12 H -2.909 0.590 -3.812 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 6 . 842 . 1 1 4 ILE HD13 H -2.945 0.680 -5.573 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 6 . 843 . 1 1 4 ILE HG12 H -1.074 2.045 -5.666 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 6 . 844 . 1 1 4 ILE HG13 H -0.556 1.609 -4.041 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 6 . 845 . 1 1 4 ILE HG21 H -3.431 2.724 -5.740 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 6 . 846 . 1 1 4 ILE HG22 H -4.209 3.394 -4.307 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 6 . 847 . 1 1 4 ILE HG23 H -3.224 4.429 -5.340 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 6 . 848 . 1 1 4 ILE N N 0.054 3.983 -3.270 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 6 . 849 . 1 1 4 ILE O O -2.376 6.312 -4.330 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 6 . 850 . 1 1 5 ILE C C -1.748 8.079 -1.815 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 6 . 851 . 1 1 5 ILE CA C -2.544 6.796 -1.607 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 6 . 852 . 1 1 5 ILE CB C -2.744 6.568 -0.097 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 6 . 853 . 1 1 5 ILE CD1 C -3.732 4.962 1.613 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 6 . 854 . 1 1 5 ILE CG1 C -3.490 5.255 0.149 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 6 . 855 . 1 1 5 ILE CG2 C -3.500 7.736 0.520 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 6 . 856 . 1 1 5 ILE H H -1.447 4.987 -1.668 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 6 . 857 . 1 1 5 ILE HA H -3.516 6.909 -2.065 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 6 . 858 . 1 1 5 ILE HB H -1.772 6.514 0.368 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 6 . 859 . 1 1 5 ILE HD11 H -4.788 5.036 1.826 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 6 . 860 . 1 1 5 ILE HD12 H -3.385 3.966 1.844 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 6 . 861 . 1 1 5 ILE HD13 H -3.194 5.679 2.217 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 6 . 862 . 1 1 5 ILE HG12 H -4.448 5.295 -0.343 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 6 . 863 . 1 1 5 ILE HG13 H -2.912 4.439 -0.262 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 6 . 864 . 1 1 5 ILE HG21 H -4.450 7.390 0.899 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 6 . 865 . 1 1 5 ILE HG22 H -2.920 8.152 1.330 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 6 . 866 . 1 1 5 ILE HG23 H -3.666 8.494 -0.231 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 6 . 867 . 1 1 5 ILE N N -1.882 5.659 -2.234 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 6 . 868 . 1 1 5 ILE O O -2.255 9.168 -1.964 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 6 . 869 . 1 1 6 ABA C C 0.072 9.906 -3.233 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 6 . 870 . 1 1 6 ABA CA C 0.516 9.109 -2.025 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 6 . 871 . 1 1 6 ABA H H -0.004 6.970 -1.694 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 6 . 872 . 1 1 6 ABA N N -0.373 7.948 -1.830 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 6 . 873 . 1 1 6 ABA O O -0.228 11.087 -3.061 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 6 . 874 . 1 1 7 PRO C C -1.875 10.382 -5.645 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 6 . 875 . 1 1 7 PRO CA C -0.387 10.045 -5.650 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 6 . 876 . 1 1 7 PRO CB C -0.066 9.060 -6.777 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 6 . 877 . 1 1 7 PRO CD C 0.370 7.921 -4.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 6 . 878 . 1 1 7 PRO CG C -0.111 7.718 -6.131 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 6 . 879 . 1 1 7 PRO HA H 0.185 10.951 -5.787 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 6 . 880 . 1 1 7 PRO HB2 H -0.808 9.149 -7.558 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 881 . 1 1 7 PRO HB3 H 0.914 9.273 -7.177 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 6 . 882 . 1 1 7 PRO HD2 H -0.148 7.255 -4.047 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 6 . 883 . 1 1 7 PRO HD3 H 1.437 7.767 -4.660 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 6 . 884 . 1 1 7 PRO HG2 H -1.123 7.344 -6.133 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 6 . 885 . 1 1 7 PRO HG3 H 0.543 7.037 -6.656 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 6 . 886 . 1 1 7 PRO N N 0.025 9.325 -4.442 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 6 . 887 . 1 1 7 PRO O O -2.277 11.468 -6.064 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 6 . 888 . 1 1 8 LEU C C -4.487 10.768 -4.143 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 6 . 889 . 1 1 8 LEU CA C -4.131 9.643 -5.109 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 6 . 890 . 1 1 8 LEU CB C -4.826 8.349 -4.681 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 6 . 891 . 1 1 8 LEU CD1 C -5.332 5.925 -5.072 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 6 . 892 . 1 1 8 LEU CD2 C -5.605 7.572 -6.934 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 6 . 893 . 1 1 8 LEU CG C -4.799 7.205 -5.696 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 6 . 894 . 1 1 8 LEU H H -2.308 8.600 -4.851 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 6 . 895 . 1 1 8 LEU HA H -4.470 9.913 -6.098 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 6 . 896 . 1 1 8 LEU HB2 H -4.348 8.000 -3.779 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 897 . 1 1 8 LEU HB3 H -5.860 8.583 -4.472 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 6 . 898 . 1 1 8 LEU HD11 H -5.225 5.111 -5.773 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 6 . 899 . 1 1 8 LEU HD12 H -6.375 6.052 -4.825 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 6 . 900 . 1 1 8 LEU HD13 H -4.774 5.703 -4.174 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 6 . 901 . 1 1 8 LEU HD21 H -4.955 8.037 -7.661 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 6 . 902 . 1 1 8 LEU HD22 H -6.390 8.262 -6.661 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 6 . 903 . 1 1 8 LEU HD23 H -6.040 6.680 -7.358 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 6 . 904 . 1 1 8 LEU HG H -3.777 7.027 -6.002 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 6 . 905 . 1 1 8 LEU N N -2.687 9.445 -5.169 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 6 . 906 . 1 1 8 LEU O O -5.609 11.275 -4.150 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 6 . 907 . 1 1 9 LEU C C -3.849 13.576 -3.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 6 . 908 . 1 1 9 LEU CA C -3.734 12.222 -2.342 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 6 . 909 . 1 1 9 LEU CB C -2.588 12.251 -1.330 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 6 . 910 . 1 1 9 LEU CD1 C -2.187 14.651 -0.726 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 6 . 911 . 1 1 9 LEU CD2 C -4.127 13.421 0.266 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 6 . 912 . 1 1 9 LEU CG C -2.692 13.306 -0.228 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 6 . 913 . 1 1 9 LEU H H -2.651 10.713 -3.355 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 6 . 914 . 1 1 9 LEU HA H -4.658 12.019 -1.821 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 6 . 915 . 1 1 9 LEU HB2 H -2.539 11.282 -0.857 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 916 . 1 1 9 LEU HB3 H -1.671 12.430 -1.875 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 6 . 917 . 1 1 9 LEU HD11 H -1.380 14.496 -1.426 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 6 . 918 . 1 1 9 LEU HD12 H -1.832 15.234 0.110 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 6 . 919 . 1 1 9 LEU HD13 H -2.993 15.178 -1.216 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 6 . 920 . 1 1 9 LEU HD21 H -4.602 12.453 0.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 6 . 921 . 1 1 9 LEU HD22 H -4.666 14.119 -0.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 6 . 922 . 1 1 9 LEU HD23 H -4.129 13.774 1.286 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 6 . 923 . 1 1 9 LEU HG H -2.073 13.006 0.607 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 6 . 924 . 1 1 9 LEU N N -3.524 11.155 -3.314 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 6 . 925 . 1 1 9 LEU O O -4.629 14.438 -2.702 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 6 . 926 . 1 1 10 ABA C C -4.419 15.389 -5.295 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 6 . 927 . 1 1 10 ABA CA C -3.007 15.051 -4.865 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 6 . 928 . 1 1 10 ABA H H -2.347 12.991 -4.337 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 6 . 929 . 1 1 10 ABA N N -2.998 13.788 -4.104 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 6 . 930 . 1 1 10 ABA O O -4.891 16.461 -4.915 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 6 . 931 . 1 1 11 PRO C C -7.488 14.753 -5.386 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 6 . 932 . 1 1 11 PRO CA C -6.475 14.812 -6.524 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 6 . 933 . 1 1 11 PRO CB C -6.742 13.696 -7.537 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 6 . 934 . 1 1 11 PRO CD C -4.609 13.243 -6.558 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 6 . 935 . 1 1 11 PRO CG C -5.837 12.586 -7.125 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 6 . 936 . 1 1 11 PRO HA H -6.544 15.771 -7.016 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 6 . 937 . 1 1 11 PRO HB2 H -7.780 13.400 -7.485 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 938 . 1 1 11 PRO HB3 H -6.511 14.045 -8.532 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 6 . 939 . 1 1 11 PRO HD2 H -4.206 12.653 -5.748 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 6 . 940 . 1 1 11 PRO HD3 H -3.866 13.383 -7.330 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 6 . 941 . 1 1 11 PRO HG2 H -6.319 11.980 -6.373 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 6 . 942 . 1 1 11 PRO HG3 H -5.578 11.986 -7.985 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 6 . 943 . 1 1 11 PRO N N -5.109 14.538 -6.069 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 6 . 944 . 1 1 11 PRO O O -8.402 15.536 -5.257 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 6 . 945 . 1 1 12 DCL C C -7.430 13.807 -2.032 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 6 . 946 . 1 1 12 DCL CA C -8.212 13.542 -3.317 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 6 . 947 . 1 1 12 DCL CB C -8.748 12.103 -3.306 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 6 . 948 . 1 1 12 DCL CD1 C -10.418 10.897 -1.897 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 6 . 949 . 1 1 12 DCL CD2 C -11.130 11.794 -4.104 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 6 . 950 . 1 1 12 DCL CG C -10.225 12.040 -2.895 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 6 . 951 . 1 1 12 DCL HA H -9.069 14.250 -3.384 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 6 . 952 . 1 1 12 DCL HB1 H -8.640 11.673 -4.326 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 6 . 953 . 1 1 12 DCL HB2 H -8.150 11.503 -2.587 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 6 . 954 . 1 1 12 DCL HC1 H -6.708 12.986 -1.830 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 6 . 955 . 1 1 12 DCL HC2 H -6.884 14.773 -2.089 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 6 . 956 . 1 1 12 DCL HD11 H -10.422 9.928 -2.439 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 6 . 957 . 1 1 12 DCL HD12 H -9.586 10.906 -1.159 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 6 . 958 . 1 1 12 DCL HD13 H -11.386 11.029 -1.366 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 6 . 959 . 1 1 12 DCL HD21 H -11.077 12.666 -4.790 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 6 . 960 . 1 1 12 DCL HD22 H -10.791 10.880 -4.640 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 6 . 961 . 1 1 12 DCL HD23 H -12.177 11.656 -3.761 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 6 . 962 . 1 1 12 DCL HG H -10.506 13.013 -2.438 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 6 . 963 . 1 1 12 DCL HN1 H -6.500 13.096 -4.656 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 6 . 964 . 1 1 12 DCL HXT H -8.381 14.716 -0.375 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 6 . 965 . 1 1 12 DCL N N -7.319 13.733 -4.472 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 6 . 966 . 1 1 12 DCL OXT O -8.331 13.876 -0.937 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 7 . 967 . 1 1 1 ACE C C -0.354 4.305 2.343 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 7 . 968 . 1 1 1 ACE CH3 C -1.462 3.310 2.397 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 7 . 969 . 1 1 1 ACE H1 H -1.710 2.988 1.385 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 7 . 970 . 1 1 1 ACE H2 H -1.149 2.448 2.986 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 7 . 971 . 1 1 1 ACE H3 H -2.338 3.767 2.857 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 7 . 972 . 1 1 1 ACE O O -0.017 5.017 3.262 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 7 . 973 . 1 1 2 ABA C C 1.961 5.164 -0.495 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 7 . 974 . 1 1 2 ABA CA C 1.427 5.312 0.914 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 7 . 975 . 1 1 2 ABA H H -0.042 3.728 0.379 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 7 . 976 . 1 1 2 ABA N N 0.307 4.379 1.132 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 7 . 977 . 1 1 2 ABA O O 2.466 6.162 -1.007 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 7 . 978 . 1 1 3 ASN C C 1.408 4.359 -3.504 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 7 . 979 . 1 1 3 ASN CA C 2.390 3.812 -2.473 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 7 . 980 . 1 1 3 ASN CB C 2.659 2.330 -2.744 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 7 . 981 . 1 1 3 ASN CG C 3.897 2.112 -3.592 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 7 . 982 . 1 1 3 ASN H H 1.465 3.234 -0.659 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 7 . 983 . 1 1 3 ASN HA H 3.319 4.357 -2.552 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 7 . 984 . 1 1 3 ASN HB2 H 2.796 1.817 -1.803 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 985 . 1 1 3 ASN HB3 H 1.811 1.905 -3.261 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 7 . 986 . 1 1 3 ASN HD21 H 3.083 0.492 -4.409 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 7 . 987 . 1 1 3 ASN HD22 H 4.669 0.896 -4.962 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 7 . 988 . 1 1 3 ASN N N 1.879 3.994 -1.120 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 7 . 989 . 1 1 3 ASN ND2 N 3.881 1.061 -4.403 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 7 . 990 . 1 1 3 ASN O O 1.741 5.260 -4.275 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 7 . 991 . 1 1 3 ASN OD1 O 4.856 2.881 -3.519 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 7 . 992 . 1 1 4 ILE C C -1.705 5.335 -3.834 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 7 . 993 . 1 1 4 ILE CA C -0.832 4.245 -4.446 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 7 . 994 . 1 1 4 ILE CB C -1.727 3.070 -4.882 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 7 . 995 . 1 1 4 ILE CD1 C -1.672 0.727 -5.874 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 7 . 996 . 1 1 4 ILE CG1 C -0.885 1.974 -5.538 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 7 . 997 . 1 1 4 ILE CG2 C -2.810 3.556 -5.835 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 7 . 998 . 1 1 4 ILE H H -0.006 3.096 -2.872 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 7 . 999 . 1 1 4 ILE HA H -0.340 4.642 -5.322 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 7 . 1000 . 1 1 4 ILE HB H -2.209 2.668 -4.004 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 7 . 1001 . 1 1 4 ILE HD11 H -1.014 -0.129 -5.858 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 7 . 1002 . 1 1 4 ILE HD12 H -2.460 0.591 -5.149 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 7 . 1003 . 1 1 4 ILE HD13 H -2.104 0.829 -6.860 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 7 . 1004 . 1 1 4 ILE HG12 H -0.460 2.355 -6.454 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 7 . 1005 . 1 1 4 ILE HG13 H -0.087 1.693 -4.866 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 7 . 1006 . 1 1 4 ILE HG21 H -2.561 4.545 -6.188 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 7 . 1007 . 1 1 4 ILE HG22 H -2.878 2.881 -6.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 7 . 1008 . 1 1 4 ILE HG23 H -3.758 3.585 -5.319 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 7 . 1009 . 1 1 4 ILE N N 0.199 3.810 -3.511 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 7 . 1010 . 1 1 4 ILE O O -2.313 6.131 -4.549 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 7 . 1011 . 1 1 5 ILE C C -1.947 7.751 -1.936 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 7 . 1012 . 1 1 5 ILE CA C -2.556 6.360 -1.798 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 7 . 1013 . 1 1 5 ILE CB C -2.687 6.015 -0.303 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 7 . 1014 . 1 1 5 ILE CD1 C -4.709 4.531 -0.736 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 7 . 1015 . 1 1 5 ILE CG1 C -3.327 4.636 -0.129 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 7 . 1016 . 1 1 5 ILE CG2 C -3.503 7.078 0.417 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 7 . 1017 . 1 1 5 ILE H H -1.253 4.704 -1.991 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 7 . 1018 . 1 1 5 ILE HA H -3.545 6.367 -2.233 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 7 . 1019 . 1 1 5 ILE HB H -1.698 6.001 0.129 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 7 . 1020 . 1 1 5 ILE HD11 H -5.376 4.053 -0.033 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 7 . 1021 . 1 1 5 ILE HD12 H -5.077 5.519 -0.968 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 7 . 1022 . 1 1 5 ILE HD13 H -4.661 3.944 -1.641 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 7 . 1023 . 1 1 5 ILE HG12 H -2.702 3.894 -0.599 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 7 . 1024 . 1 1 5 ILE HG13 H -3.409 4.416 0.926 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 7 . 1025 . 1 1 5 ILE HG21 H -4.333 7.378 -0.206 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 7 . 1026 . 1 1 5 ILE HG22 H -3.879 6.676 1.346 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 7 . 1027 . 1 1 5 ILE HG23 H -2.879 7.935 0.621 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 7 . 1028 . 1 1 5 ILE N N -1.760 5.365 -2.506 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 7 . 1029 . 1 1 5 ILE O O -2.599 8.758 -2.091 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 7 . 1030 . 1 1 6 ABA C C -0.277 9.821 -3.261 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 7 . 1031 . 1 1 6 ABA CA C 0.150 9.104 -1.997 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 7 . 1032 . 1 1 6 ABA H H -0.068 6.904 -1.739 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 7 . 1033 . 1 1 6 ABA N N -0.568 7.822 -1.876 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 7 . 1034 . 1 1 6 ABA O O -0.763 10.946 -3.144 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 7 . 1035 . 1 1 7 PRO C C -2.011 9.993 -5.868 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 7 . 1036 . 1 1 7 PRO CA C -0.498 9.878 -5.715 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 7 . 1037 . 1 1 7 PRO CB C 0.078 8.945 -6.782 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 7 . 1038 . 1 1 7 PRO CD C 0.459 7.893 -4.669 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 7 . 1039 . 1 1 7 PRO CG C 0.163 7.615 -6.117 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 7 . 1040 . 1 1 7 PRO HA H -0.053 10.857 -5.811 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 7 . 1041 . 1 1 7 PRO HB2 H -0.583 8.919 -7.637 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 1042 . 1 1 7 PRO HB3 H 1.053 9.297 -7.085 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 7 . 1043 . 1 1 7 PRO HD2 H -0.023 7.162 -4.038 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 7 . 1044 . 1 1 7 PRO HD3 H 1.525 7.899 -4.497 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 7 . 1045 . 1 1 7 PRO HG2 H -0.779 7.095 -6.214 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 7 . 1046 . 1 1 7 PRO HG3 H 0.960 7.034 -6.558 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 7 . 1047 . 1 1 7 PRO N N -0.114 9.233 -4.456 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 7 . 1048 . 1 1 7 PRO O O -2.504 10.713 -6.737 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 7 . 1049 . 1 1 8 LEU C C -4.754 10.421 -4.186 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 7 . 1050 . 1 1 8 LEU CA C -4.201 9.301 -5.061 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 7 . 1051 . 1 1 8 LEU CB C -4.764 7.955 -4.602 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 7 . 1052 . 1 1 8 LEU CD1 C -5.402 5.578 -5.078 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 7 . 1053 . 1 1 8 LEU CD2 C -5.802 7.345 -6.802 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 7 . 1054 . 1 1 8 LEU CG C -4.888 6.876 -5.679 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 7 . 1055 . 1 1 8 LEU H H -2.293 8.724 -4.350 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 7 . 1056 . 1 1 8 LEU HA H -4.501 9.478 -6.084 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 7 . 1057 . 1 1 8 LEU HB2 H -4.119 7.574 -3.826 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 1058 . 1 1 8 LEU HB3 H -5.750 8.131 -4.195 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 7 . 1059 . 1 1 8 LEU HD11 H -6.372 5.746 -4.635 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 7 . 1060 . 1 1 8 LEU HD12 H -4.714 5.235 -4.319 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 7 . 1061 . 1 1 8 LEU HD13 H -5.485 4.830 -5.853 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 7 . 1062 . 1 1 8 LEU HD21 H -6.606 7.936 -6.388 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 7 . 1063 . 1 1 8 LEU HD22 H -6.212 6.487 -7.314 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 7 . 1064 . 1 1 8 LEU HD23 H -5.236 7.945 -7.499 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 7 . 1065 . 1 1 8 LEU HG H -3.910 6.684 -6.100 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 7 . 1066 . 1 1 8 LEU N N -2.743 9.279 -5.020 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 7 . 1067 . 1 1 8 LEU O O -5.857 10.917 -4.418 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 7 . 1068 . 1 1 9 LEU C C -4.376 13.235 -2.977 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 7 . 1069 . 1 1 9 LEU CA C -4.390 11.882 -2.273 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 7 . 1070 . 1 1 9 LEU CB C -3.469 11.920 -1.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 7 . 1071 . 1 1 9 LEU CD1 C -4.920 13.403 0.355 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 7 . 1072 . 1 1 9 LEU CD2 C -2.495 13.139 0.910 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 7 . 1073 . 1 1 9 LEU CG C -3.523 13.195 -0.210 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 7 . 1074 . 1 1 9 LEU H H -3.111 10.385 -3.048 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 7 . 1075 . 1 1 9 LEU HA H -5.397 11.669 -1.948 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 7 . 1076 . 1 1 9 LEU HB2 H -3.733 11.091 -0.413 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 1077 . 1 1 9 LEU HB3 H -2.454 11.795 -1.401 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 7 . 1078 . 1 1 9 LEU HD11 H -4.892 13.304 1.429 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 7 . 1079 . 1 1 9 LEU HD12 H -5.589 12.663 -0.058 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 7 . 1080 . 1 1 9 LEU HD13 H -5.271 14.391 0.093 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 7 . 1081 . 1 1 9 LEU HD21 H -1.568 13.576 0.570 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 7 . 1082 . 1 1 9 LEU HD22 H -2.326 12.109 1.192 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 7 . 1083 . 1 1 9 LEU HD23 H -2.862 13.690 1.763 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 7 . 1084 . 1 1 9 LEU HG H -3.288 14.044 -0.838 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 7 . 1085 . 1 1 9 LEU N N -3.979 10.817 -3.182 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 7 . 1086 . 1 1 9 LEU O O -5.219 14.087 -2.813 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 7 . 1087 . 1 1 10 ABA C C -4.489 15.045 -5.306 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 7 . 1088 . 1 1 10 ABA CA C -3.192 14.724 -4.593 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 7 . 1089 . 1 1 10 ABA H H -2.630 12.672 -3.938 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 7 . 1090 . 1 1 10 ABA N N -3.325 13.460 -3.846 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 7 . 1091 . 1 1 10 ABA O O -5.042 16.111 -5.034 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 7 . 1092 . 1 1 11 PRO C C -7.465 14.371 -6.030 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 7 . 1093 . 1 1 11 PRO CA C -6.239 14.445 -6.933 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 7 . 1094 . 1 1 11 PRO CB C -6.276 13.327 -7.978 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 7 . 1095 . 1 1 11 PRO CD C -4.386 12.898 -6.579 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 7 . 1096 . 1 1 11 PRO CG C -5.463 12.228 -7.387 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 7 . 1097 . 1 1 11 PRO HA H -6.216 15.403 -7.430 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 7 . 1098 . 1 1 11 PRO HB2 H -7.299 13.018 -8.142 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 1099 . 1 1 11 PRO HB3 H -5.849 13.680 -8.904 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 7 . 1100 . 1 1 11 PRO HD2 H -4.152 12.313 -5.702 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 7 . 1101 . 1 1 11 PRO HD3 H -3.502 13.050 -7.181 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 7 . 1102 . 1 1 11 PRO HG2 H -6.082 11.614 -6.750 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 7 . 1103 . 1 1 11 PRO HG3 H -5.024 11.632 -8.173 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 7 . 1104 . 1 1 11 PRO N N -4.993 14.187 -6.205 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 7 . 1105 . 1 1 11 PRO O O -8.567 14.744 -6.360 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 7 . 1106 . 1 1 12 DCL C C -8.774 15.096 -3.316 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 7 . 1107 . 1 1 12 DCL CA C -8.345 13.706 -3.782 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 7 . 1108 . 1 1 12 DCL CB C -7.850 12.890 -2.578 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 7 . 1109 . 1 1 12 DCL CD1 C -8.680 11.945 -0.422 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 7 . 1110 . 1 1 12 DCL CD2 C -9.116 10.699 -2.530 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 7 . 1111 . 1 1 12 DCL CG C -8.982 12.093 -1.915 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 7 . 1112 . 1 1 12 DCL HA H -9.213 13.183 -4.244 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 7 . 1113 . 1 1 12 DCL HB1 H -7.066 12.181 -2.924 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 7 . 1114 . 1 1 12 DCL HB2 H -7.414 13.585 -1.829 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 7 . 1115 . 1 1 12 DCL HC1 H -9.158 15.065 -2.273 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 7 . 1116 . 1 1 12 DCL HC2 H -7.929 15.815 -3.378 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 7 . 1117 . 1 1 12 DCL HD11 H -7.592 12.085 -0.248 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 7 . 1118 . 1 1 12 DCL HD12 H -9.249 12.712 0.147 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 7 . 1119 . 1 1 12 DCL HD13 H -8.982 10.930 -0.083 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 7 . 1120 . 1 1 12 DCL HD21 H -8.404 10.005 -2.034 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 7 . 1121 . 1 1 12 DCL HD22 H -10.155 10.330 -2.385 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 7 . 1122 . 1 1 12 DCL HD23 H -8.888 10.750 -3.616 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 7 . 1123 . 1 1 12 DCL HG H -9.936 12.641 -2.071 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 7 . 1124 . 1 1 12 DCL HN1 H -6.275 13.542 -4.562 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 7 . 1125 . 1 1 12 DCL HXT H -9.697 16.434 -4.671 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 7 . 1126 . 1 1 12 DCL N N -7.263 13.843 -4.771 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 7 . 1127 . 1 1 12 DCL OXT O -9.817 15.572 -4.153 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 8 . 1128 . 1 1 1 ACE C C 0.713 1.839 2.369 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 8 . 1129 . 1 1 1 ACE CH3 C 1.421 0.541 2.559 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 8 . 1130 . 1 1 1 ACE H1 H 1.886 0.522 3.545 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 8 . 1131 . 1 1 1 ACE H2 H 0.706 -0.278 2.479 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 8 . 1132 . 1 1 1 ACE H3 H 2.189 0.430 1.794 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 8 . 1133 . 1 1 1 ACE O O -0.158 2.265 3.092 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 8 . 1134 . 1 1 2 ABA C C 1.135 4.424 -0.331 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 8 . 1135 . 1 1 2 ABA CA C 0.520 3.876 0.940 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 8 . 1136 . 1 1 2 ABA H H 1.884 2.135 0.687 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 8 . 1137 . 1 1 2 ABA N N 1.121 2.570 1.270 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 8 . 1138 . 1 1 2 ABA O O 1.182 5.649 -0.443 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 8 . 1139 . 1 1 3 ASN C C 1.137 4.533 -3.483 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 8 . 1140 . 1 1 3 ASN CA C 2.207 4.087 -2.490 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 8 . 1141 . 1 1 3 ASN CB C 3.084 3.003 -3.120 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 8 . 1142 . 1 1 3 ASN CG C 4.423 3.542 -3.586 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 8 . 1143 . 1 1 3 ASN H H 1.534 2.628 -1.112 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 8 . 1144 . 1 1 3 ASN HA H 2.824 4.936 -2.238 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 8 . 1145 . 1 1 3 ASN HB2 H 3.264 2.226 -2.392 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1146 . 1 1 3 ASN HB3 H 2.570 2.582 -3.971 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 8 . 1147 . 1 1 3 ASN HD21 H 5.330 1.879 -2.979 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 8 . 1148 . 1 1 3 ASN HD22 H 6.352 3.076 -3.691 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 8 . 1149 . 1 1 3 ASN N N 1.600 3.594 -1.259 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 8 . 1150 . 1 1 3 ASN ND2 N 5.474 2.752 -3.400 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 8 . 1151 . 1 1 3 ASN O O 1.415 5.297 -4.408 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 8 . 1152 . 1 1 3 ASN OD1 O 4.510 4.654 -4.106 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1153 . 1 1 4 ILE C C -1.967 5.598 -3.619 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 8 . 1154 . 1 1 4 ILE CA C -1.195 4.400 -4.161 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 8 . 1155 . 1 1 4 ILE CB C -2.165 3.217 -4.340 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 8 . 1156 . 1 1 4 ILE CD1 C -2.298 0.775 -5.046 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1157 . 1 1 4 ILE CG1 C -1.425 2.003 -4.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 8 . 1158 . 1 1 4 ILE CG2 C -3.319 3.611 -5.250 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 8 . 1159 . 1 1 4 ILE H H -0.243 3.445 -2.530 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 8 . 1160 . 1 1 4 ILE HA H -0.788 4.655 -5.129 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 8 . 1161 . 1 1 4 ILE HB H -2.572 2.964 -3.372 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 8 . 1162 . 1 1 4 ILE HD11 H -1.676 -0.091 -5.220 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 8 . 1163 . 1 1 4 ILE HD12 H -2.870 0.633 -4.142 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 8 . 1164 . 1 1 4 ILE HD13 H -2.971 0.907 -5.881 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 8 . 1165 . 1 1 4 ILE HG12 H -1.036 2.247 -5.879 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 8 . 1166 . 1 1 4 ILE HG13 H -0.605 1.753 -4.246 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 8 . 1167 . 1 1 4 ILE HG21 H -4.237 3.625 -4.682 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 8 . 1168 . 1 1 4 ILE HG22 H -3.135 4.593 -5.659 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 8 . 1169 . 1 1 4 ILE HG23 H -3.404 2.895 -6.054 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 8 . 1170 . 1 1 4 ILE N N -0.085 4.050 -3.284 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 8 . 1171 . 1 1 4 ILE O O -2.509 6.397 -4.383 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 8 . 1172 . 1 1 5 ILE C C -1.955 8.131 -1.826 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 8 . 1173 . 1 1 5 ILE CA C -2.714 6.820 -1.652 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 8 . 1174 . 1 1 5 ILE CB C -2.920 6.555 -0.149 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 8 . 1175 . 1 1 5 ILE CD1 C -5.119 5.320 -0.496 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1176 . 1 1 5 ILE CG1 C -3.713 5.262 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 8 . 1177 . 1 1 5 ILE CG2 C -3.633 7.730 0.503 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 8 . 1178 . 1 1 5 ILE H H -1.560 5.049 -1.741 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 8 . 1179 . 1 1 5 ILE HA H -3.684 6.914 -2.117 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 8 . 1180 . 1 1 5 ILE HB H -1.950 6.452 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 8 . 1181 . 1 1 5 ILE HD11 H -5.275 4.493 -1.172 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 8 . 1182 . 1 1 5 ILE HD12 H -5.829 5.262 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 8 . 1183 . 1 1 5 ILE HD13 H -5.258 6.250 -1.029 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 8 . 1184 . 1 1 5 ILE HG12 H -3.198 4.449 -0.429 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 8 . 1185 . 1 1 5 ILE HG13 H -3.781 5.057 1.117 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 8 . 1186 . 1 1 5 ILE HG21 H -4.473 8.025 -0.107 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 8 . 1187 . 1 1 5 ILE HG22 H -3.985 7.439 1.482 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 8 . 1188 . 1 1 5 ILE HG23 H -2.947 8.559 0.598 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 8 . 1189 . 1 1 5 ILE N N -2.011 5.717 -2.296 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 8 . 1190 . 1 1 5 ILE O O -2.493 9.200 -2.006 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 8 . 1191 . 1 1 6 ABA C C -0.103 9.995 -3.181 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 8 . 1192 . 1 1 6 ABA CA C 0.278 9.242 -1.924 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 8 . 1193 . 1 1 6 ABA H H -0.180 7.087 -1.610 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 8 . 1194 . 1 1 6 ABA N N -0.577 8.050 -1.770 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 8 . 1195 . 1 1 6 ABA O O -0.450 11.170 -3.061 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 8 . 1196 . 1 1 7 PRO C C -1.890 10.352 -5.734 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 8 . 1197 . 1 1 7 PRO CA C -0.396 10.062 -5.627 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 8 . 1198 . 1 1 7 PRO CB C 0.032 9.060 -6.703 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 8 . 1199 . 1 1 7 PRO CD C 0.356 7.985 -4.592 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 8 . 1200 . 1 1 7 PRO CG C -0.018 7.734 -6.026 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 8 . 1201 . 1 1 7 PRO HA H 0.157 10.981 -5.748 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 8 . 1202 . 1 1 7 PRO HB2 H -0.655 9.106 -7.535 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1203 . 1 1 7 PRO HB3 H 1.031 9.294 -7.039 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 8 . 1204 . 1 1 7 PRO HD2 H -0.188 7.320 -3.938 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 8 . 1205 . 1 1 7 PRO HD3 H 1.421 7.867 -4.453 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 8 . 1206 . 1 1 7 PRO HG2 H -1.016 7.328 -6.088 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 8 . 1207 . 1 1 7 PRO HG3 H 0.691 7.061 -6.486 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 8 . 1208 . 1 1 7 PRO N N -0.049 9.384 -4.374 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 8 . 1209 . 1 1 7 PRO O O -2.294 11.416 -6.204 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 8 . 1210 . 1 1 8 LEU C C -4.614 10.669 -4.409 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 8 . 1211 . 1 1 8 LEU CA C -4.155 9.553 -5.341 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 8 . 1212 . 1 1 8 LEU CB C -4.839 8.239 -4.958 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 8 . 1213 . 1 1 8 LEU CD1 C -5.534 5.895 -5.511 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1214 . 1 1 8 LEU CD2 C -5.451 7.630 -7.312 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 8 . 1215 . 1 1 8 LEU CG C -4.818 7.138 -6.018 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 8 . 1216 . 1 1 8 LEU H H -2.325 8.573 -4.932 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 8 . 1217 . 1 1 8 LEU HA H -4.429 9.810 -6.354 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 8 . 1218 . 1 1 8 LEU HB2 H -4.351 7.858 -4.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1219 . 1 1 8 LEU HB3 H -5.872 8.460 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 8 . 1220 . 1 1 8 LEU HD11 H -6.571 6.129 -5.324 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 8 . 1221 . 1 1 8 LEU HD12 H -5.069 5.560 -4.596 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 8 . 1222 . 1 1 8 LEU HD13 H -5.469 5.114 -6.255 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 8 . 1223 . 1 1 8 LEU HD21 H -6.120 8.449 -7.096 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 8 . 1224 . 1 1 8 LEU HD22 H -6.005 6.824 -7.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 8 . 1225 . 1 1 8 LEU HD23 H -4.677 7.965 -7.986 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 8 . 1226 . 1 1 8 LEU HG H -3.792 6.868 -6.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 8 . 1227 . 1 1 8 LEU N N -2.705 9.399 -5.295 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 8 . 1228 . 1 1 8 LEU O O -5.751 11.136 -4.494 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 8 . 1229 . 1 1 9 LEU C C -4.152 13.504 -3.284 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 8 . 1230 . 1 1 9 LEU CA C -4.035 12.160 -2.573 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 8 . 1231 . 1 1 9 LEU CB C -2.960 12.235 -1.488 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 8 . 1232 . 1 1 9 LEU CD1 C -4.149 12.791 0.648 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1233 . 1 1 9 LEU CD2 C -1.846 13.675 0.235 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 8 . 1234 . 1 1 9 LEU CG C -3.173 13.293 -0.405 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 8 . 1235 . 1 1 9 LEU H H -2.834 10.685 -3.501 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 8 . 1236 . 1 1 9 LEU HA H -4.984 11.926 -2.114 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 8 . 1237 . 1 1 9 LEU HB2 H -2.912 11.271 -1.003 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1238 . 1 1 9 LEU HB3 H -2.016 12.440 -1.972 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 8 . 1239 . 1 1 9 LEU HD11 H -3.634 12.672 1.589 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 8 . 1240 . 1 1 9 LEU HD12 H -4.556 11.841 0.337 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 8 . 1241 . 1 1 9 LEU HD13 H -4.951 13.505 0.764 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 8 . 1242 . 1 1 9 LEU HD21 H -1.497 14.605 -0.189 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 8 . 1243 . 1 1 9 LEU HD22 H -1.118 12.899 0.046 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 8 . 1244 . 1 1 9 LEU HD23 H -1.980 13.793 1.300 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 8 . 1245 . 1 1 9 LEU HG H -3.596 14.180 -0.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 8 . 1246 . 1 1 9 LEU N N -3.723 11.095 -3.521 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 8 . 1247 . 1 1 9 LEU O O -4.986 14.337 -3.013 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 8 . 1248 . 1 1 10 ABA C C -4.624 15.282 -5.595 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 8 . 1249 . 1 1 10 ABA CA C -3.236 15.003 -5.057 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 8 . 1250 . 1 1 10 ABA H H -2.538 12.973 -4.468 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 8 . 1251 . 1 1 10 ABA N N -3.234 13.745 -4.289 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 8 . 1252 . 1 1 10 ABA O O -5.165 16.336 -5.261 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 8 . 1253 . 1 1 11 PRO C C -7.650 14.521 -5.912 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 8 . 1254 . 1 1 11 PRO CA C -6.556 14.615 -6.970 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 8 . 1255 . 1 1 11 PRO CB C -6.701 13.483 -7.991 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 8 . 1256 . 1 1 11 PRO CD C -4.632 13.122 -6.850 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 8 . 1257 . 1 1 11 PRO CG C -5.787 12.414 -7.502 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 8 . 1258 . 1 1 11 PRO HA H -6.626 15.568 -7.475 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 8 . 1259 . 1 1 11 PRO HB2 H -7.728 13.146 -8.014 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1260 . 1 1 11 PRO HB3 H -6.410 13.836 -8.968 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 8 . 1261 . 1 1 11 PRO HD2 H -4.268 12.554 -6.007 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 8 . 1262 . 1 1 11 PRO HD3 H -3.839 13.289 -7.565 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 8 . 1263 . 1 1 11 PRO HG2 H -6.299 11.792 -6.784 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 8 . 1264 . 1 1 11 PRO HG3 H -5.440 11.819 -8.335 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 8 . 1265 . 1 1 11 PRO N N -5.219 14.399 -6.411 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 8 . 1266 . 1 1 11 PRO O O -8.734 15.049 -6.015 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 8 . 1267 . 1 1 12 DCL C C -8.102 14.728 -2.663 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 8 . 1268 . 1 1 12 DCL CA C -8.294 13.600 -3.674 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 8 . 1269 . 1 1 12 DCL CB C -8.039 12.248 -2.991 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 8 . 1270 . 1 1 12 DCL CD1 C -8.598 11.924 -0.580 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 8 . 1271 . 1 1 12 DCL CD2 C -9.698 10.475 -2.276 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 8 . 1272 . 1 1 12 DCL CG C -9.155 11.880 -2.004 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 8 . 1273 . 1 1 12 DCL HA H -9.338 13.621 -4.063 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 8 . 1274 . 1 1 12 DCL HB1 H -7.974 11.459 -3.772 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 8 . 1275 . 1 1 12 DCL HB2 H -7.076 12.301 -2.439 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 8 . 1276 . 1 1 12 DCL HC1 H -8.979 14.807 -1.984 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 8 . 1277 . 1 1 12 DCL HC2 H -7.181 14.572 -2.062 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 8 . 1278 . 1 1 12 DCL HD11 H -8.652 12.964 -0.193 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 8 . 1279 . 1 1 12 DCL HD12 H -9.198 11.253 0.073 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 8 . 1280 . 1 1 12 DCL HD13 H -7.539 11.586 -0.587 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 8 . 1281 . 1 1 12 DCL HD21 H -9.944 9.980 -1.312 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 8 . 1282 . 1 1 12 DCL HD22 H -10.616 10.548 -2.900 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 8 . 1283 . 1 1 12 DCL HD23 H -8.930 9.879 -2.813 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 8 . 1284 . 1 1 12 DCL HG H -9.986 12.607 -2.125 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 8 . 1285 . 1 1 12 DCL HN1 H -6.382 13.357 -4.774 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 8 . 1286 . 1 1 12 DCL HXT H -7.133 16.519 -3.240 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 8 . 1287 . 1 1 12 DCL N N -7.346 13.783 -4.786 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 8 . 1288 . 1 1 12 DCL OXT O -7.971 15.962 -3.353 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 9 . 1289 . 1 1 1 ACE C C 0.462 1.066 2.062 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 9 . 1290 . 1 1 1 ACE CH3 C 1.452 -0.005 2.368 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 9 . 1291 . 1 1 1 ACE H1 H 0.972 -0.786 2.956 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 9 . 1292 . 1 1 1 ACE H2 H 1.827 -0.430 1.436 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 9 . 1293 . 1 1 1 ACE H3 H 2.282 0.418 2.934 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 9 . 1294 . 1 1 1 ACE O O -0.619 1.182 2.592 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 9 . 1295 . 1 1 2 ABA C C 0.664 3.874 -0.433 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 9 . 1296 . 1 1 2 ABA CA C -0.006 3.087 0.674 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 9 . 1297 . 1 1 2 ABA H H 1.813 1.803 0.676 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 9 . 1298 . 1 1 2 ABA N N 0.858 1.968 1.093 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 9 . 1299 . 1 1 2 ABA O O 0.387 5.070 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 9 . 1300 . 1 1 3 ASN C C 1.167 4.596 -3.302 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 9 . 1301 . 1 1 3 ASN CA C 2.182 4.000 -2.331 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 9 . 1302 . 1 1 3 ASN CB C 3.141 3.075 -3.084 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 9 . 1303 . 1 1 3 ASN CG C 4.595 3.380 -2.781 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 9 . 1304 . 1 1 3 ASN H H 1.692 2.315 -1.147 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 9 . 1305 . 1 1 3 ASN HA H 2.748 4.803 -1.883 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 9 . 1306 . 1 1 3 ASN HB2 H 2.941 2.052 -2.799 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1307 . 1 1 3 ASN HB3 H 2.981 3.187 -4.145 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 9 . 1308 . 1 1 3 ASN HD21 H 5.077 1.469 -3.049 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 9 . 1309 . 1 1 3 ASN HD22 H 6.382 2.523 -2.635 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 9 . 1310 . 1 1 3 ASN N N 1.512 3.272 -1.260 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 9 . 1311 . 1 1 3 ASN ND2 N 5.436 2.354 -2.826 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 9 . 1312 . 1 1 3 ASN O O 1.477 5.526 -4.047 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 9 . 1313 . 1 1 3 ASN OD1 O 4.957 4.525 -2.511 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1314 . 1 1 4 ILE C C -1.800 5.757 -3.571 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 9 . 1315 . 1 1 4 ILE CA C -1.108 4.534 -4.163 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 9 . 1316 . 1 1 4 ILE CB C -2.159 3.439 -4.425 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 9 . 1317 . 1 1 4 ILE CD1 C -1.286 1.168 -3.679 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1318 . 1 1 4 ILE CG1 C -1.476 2.131 -4.829 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 9 . 1319 . 1 1 4 ILE CG2 C -3.135 3.889 -5.503 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 9 . 1320 . 1 1 4 ILE H H -0.233 3.316 -2.671 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 9 . 1321 . 1 1 4 ILE HA H -0.660 4.809 -5.108 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 9 . 1322 . 1 1 4 ILE HB H -2.715 3.280 -3.514 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 9 . 1323 . 1 1 4 ILE HD11 H -1.959 1.429 -2.875 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 9 . 1324 . 1 1 4 ILE HD12 H -1.493 0.163 -4.012 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 9 . 1325 . 1 1 4 ILE HD13 H -0.266 1.227 -3.325 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 9 . 1326 . 1 1 4 ILE HG12 H -2.073 1.637 -5.579 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 9 . 1327 . 1 1 4 ILE HG13 H -0.502 2.355 -5.241 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 9 . 1328 . 1 1 4 ILE HG21 H -3.056 3.232 -6.356 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 9 . 1329 . 1 1 4 ILE HG22 H -4.141 3.853 -5.114 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 9 . 1330 . 1 1 4 ILE HG23 H -2.900 4.899 -5.803 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 9 . 1331 . 1 1 4 ILE N N -0.047 4.055 -3.287 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 9 . 1332 . 1 1 4 ILE O O -2.403 6.552 -4.293 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 9 . 1333 . 1 1 5 ILE C C -1.573 8.326 -1.856 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 9 . 1334 . 1 1 5 ILE CA C -2.322 7.030 -1.565 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 9 . 1335 . 1 1 5 ILE CB C -2.363 6.805 -0.042 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 9 . 1336 . 1 1 5 ILE CD1 C -4.619 5.627 -0.093 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1337 . 1 1 5 ILE CG1 C -3.157 5.539 0.287 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 9 . 1338 . 1 1 5 ILE CG2 C -2.970 8.014 0.655 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 9 . 1339 . 1 1 5 ILE H H -1.213 5.236 -1.733 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 9 . 1340 . 1 1 5 ILE HA H -3.337 7.126 -1.923 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 9 . 1341 . 1 1 5 ILE HB H -1.350 6.688 0.310 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 9 . 1342 . 1 1 5 ILE HD11 H -4.705 5.791 -1.157 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 9 . 1343 . 1 1 5 ILE HD12 H -5.116 4.706 0.172 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 9 . 1344 . 1 1 5 ILE HD13 H -5.079 6.450 0.435 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 9 . 1345 . 1 1 5 ILE HG12 H -2.727 4.704 -0.243 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 9 . 1346 . 1 1 5 ILE HG13 H -3.100 5.354 1.350 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 9 . 1347 . 1 1 5 ILE HG21 H -3.533 7.687 1.517 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 9 . 1348 . 1 1 5 ILE HG22 H -2.181 8.679 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 9 . 1349 . 1 1 5 ILE HG23 H -3.625 8.533 -0.028 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 9 . 1350 . 1 1 5 ILE N N -1.707 5.902 -2.254 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 9 . 1351 . 1 1 5 ILE O O -2.115 9.398 -2.000 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 9 . 1352 . 1 1 6 ABA C C 0.134 10.133 -3.457 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 9 . 1353 . 1 1 6 ABA CA C 0.648 9.402 -2.234 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 9 . 1354 . 1 1 6 ABA H H 0.203 7.261 -1.817 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 9 . 1355 . 1 1 6 ABA N N -0.198 8.227 -1.954 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 9 . 1356 . 1 1 6 ABA O O -0.189 11.313 -3.325 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 9 . 1357 . 1 1 7 PRO C C -1.925 10.453 -5.801 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 9 . 1358 . 1 1 7 PRO CA C -0.431 10.151 -5.855 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 9 . 1359 . 1 1 7 PRO CB C -0.132 9.123 -6.950 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 9 . 1360 . 1 1 7 PRO CD C 0.418 8.089 -4.866 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 9 . 1361 . 1 1 7 PRO CG C -0.116 7.811 -6.244 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 9 . 1362 . 1 1 7 PRO HA H 0.112 11.062 -6.057 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 9 . 1363 . 1 1 7 PRO HB2 H -0.908 9.158 -7.702 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1364 . 1 1 7 PRO HB3 H 0.824 9.340 -7.401 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 9 . 1365 . 1 1 7 PRO HD2 H -0.054 7.443 -4.141 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 9 . 1366 . 1 1 7 PRO HD3 H 1.490 7.964 -4.845 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 9 . 1367 . 1 1 7 PRO HG2 H -1.118 7.414 -6.184 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 9 . 1368 . 1 1 7 PRO HG3 H 0.532 7.122 -6.765 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 9 . 1369 . 1 1 7 PRO N N 0.050 9.496 -4.635 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 9 . 1370 . 1 1 7 PRO O O -2.371 11.509 -6.250 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 9 . 1371 . 1 1 8 LEU C C -4.480 10.831 -4.187 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 9 . 1372 . 1 1 8 LEU CA C -4.137 9.687 -5.136 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 9 . 1373 . 1 1 8 LEU CB C -4.783 8.390 -4.644 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 9 . 1374 . 1 1 8 LEU CD1 C -5.542 6.036 -5.051 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1375 . 1 1 8 LEU CD2 C -5.661 7.722 -6.895 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 9 . 1376 . 1 1 8 LEU CG C -4.886 7.260 -5.669 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 9 . 1377 . 1 1 8 LEU H H -2.279 8.699 -4.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 9 . 1378 . 1 1 8 LEU HA H -4.522 9.921 -6.117 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 9 . 1379 . 1 1 8 LEU HB2 H -4.202 8.027 -3.810 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1380 . 1 1 8 LEU HB3 H -5.783 8.626 -4.309 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 9 . 1381 . 1 1 8 LEU HD11 H -5.592 5.245 -5.784 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 9 . 1382 . 1 1 8 LEU HD12 H -6.540 6.289 -4.725 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 9 . 1383 . 1 1 8 LEU HD13 H -4.960 5.705 -4.203 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 9 . 1384 . 1 1 8 LEU HD21 H -5.920 6.865 -7.500 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 9 . 1385 . 1 1 8 LEU HD22 H -5.049 8.399 -7.474 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 9 . 1386 . 1 1 8 LEU HD23 H -6.562 8.228 -6.582 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 9 . 1387 . 1 1 8 LEU HG H -3.891 6.980 -5.988 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 9 . 1388 . 1 1 8 LEU N N -2.692 9.520 -5.249 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 9 . 1389 . 1 1 8 LEU O O -5.616 11.306 -4.156 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 9 . 1390 . 1 1 9 LEU C C -3.874 13.688 -3.195 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 9 . 1391 . 1 1 9 LEU CA C -3.688 12.361 -2.468 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 9 . 1392 . 1 1 9 LEU CB C -2.496 12.453 -1.512 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 9 . 1393 . 1 1 9 LEU CD1 C -3.670 13.222 0.565 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1394 . 1 1 9 LEU CD2 C -1.234 13.702 0.257 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 9 . 1395 . 1 1 9 LEU CG C -2.576 13.542 -0.443 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 9 . 1396 . 1 1 9 LEU H H -2.608 10.852 -3.486 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 9 . 1397 . 1 1 9 LEU HA H -4.580 12.148 -1.898 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 9 . 1398 . 1 1 9 LEU HB2 H -2.402 11.502 -1.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1399 . 1 1 9 LEU HB3 H -1.611 12.634 -2.106 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 9 . 1400 . 1 1 9 LEU HD11 H -4.228 14.118 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 9 . 1401 . 1 1 9 LEU HD12 H -3.223 12.841 1.471 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 9 . 1402 . 1 1 9 LEU HD13 H -4.333 12.477 0.151 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 9 . 1403 . 1 1 9 LEU HD21 H -1.327 14.429 1.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 9 . 1404 . 1 1 9 LEU HD22 H -0.495 14.040 -0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 9 . 1405 . 1 1 9 LEU HD23 H -0.929 12.753 0.671 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 9 . 1406 . 1 1 9 LEU HG H -2.823 14.483 -0.914 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 9 . 1407 . 1 1 9 LEU N N -3.491 11.270 -3.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 9 . 1408 . 1 1 9 LEU O O -4.667 14.536 -2.854 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 9 . 1409 . 1 1 10 ABA C C -4.591 15.411 -5.484 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 9 . 1410 . 1 1 10 ABA CA C -3.154 15.133 -5.099 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 9 . 1411 . 1 1 10 ABA H H -2.408 13.112 -4.539 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 9 . 1412 . 1 1 10 ABA N N -3.074 13.894 -4.303 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 9 . 1413 . 1 1 10 ABA O O -5.085 16.479 -5.120 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 9 . 1414 . 1 1 11 PRO C C -7.639 14.673 -5.439 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 9 . 1415 . 1 1 11 PRO CA C -6.671 14.729 -6.616 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 9 . 1416 . 1 1 11 PRO CB C -6.938 13.574 -7.583 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 9 . 1417 . 1 1 11 PRO CD C -4.756 13.221 -6.674 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 9 . 1418 . 1 1 11 PRO CG C -5.982 12.508 -7.173 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 9 . 1419 . 1 1 11 PRO HA H -6.791 15.670 -7.134 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 9 . 1420 . 1 1 11 PRO HB2 H -7.963 13.246 -7.482 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1421 . 1 1 11 PRO HB3 H -6.756 13.898 -8.597 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 9 . 1422 . 1 1 11 PRO HD2 H -4.303 12.671 -5.862 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 9 . 1423 . 1 1 11 PRO HD3 H -4.048 13.362 -7.478 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 9 . 1424 . 1 1 11 PRO HG2 H -6.414 11.910 -6.385 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 9 . 1425 . 1 1 11 PRO HG3 H -5.735 11.889 -8.023 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 9 . 1426 . 1 1 11 PRO N N -5.281 14.514 -6.205 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 9 . 1427 . 1 1 11 PRO O O -8.571 15.431 -5.297 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 9 . 1428 . 1 1 12 DCL C C -7.392 13.706 -2.059 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 9 . 1429 . 1 1 12 DCL CA C -8.246 13.503 -3.309 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 9 . 1430 . 1 1 12 DCL CB C -8.838 12.086 -3.304 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 9 . 1431 . 1 1 12 DCL CD1 C -10.370 10.800 -1.811 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 9 . 1432 . 1 1 12 DCL CD2 C -11.325 12.006 -3.765 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 9 . 1433 . 1 1 12 DCL CG C -10.242 12.049 -2.686 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 9 . 1434 . 1 1 12 DCL HA H -9.077 14.245 -3.318 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 9 . 1435 . 1 1 12 DCL HB1 H -8.897 11.718 -4.352 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 9 . 1436 . 1 1 12 DCL HB2 H -8.169 11.420 -2.716 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 9 . 1437 . 1 1 12 DCL HC1 H -6.482 13.068 -2.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 9 . 1438 . 1 1 12 DCL HC2 H -7.093 14.771 -1.949 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 9 . 1439 . 1 1 12 DCL HD11 H -9.572 10.076 -2.079 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 9 . 1440 . 1 1 12 DCL HD12 H -10.268 11.085 -0.742 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 9 . 1441 . 1 1 12 DCL HD13 H -11.365 10.332 -1.977 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 9 . 1442 . 1 1 12 DCL HD21 H -12.257 12.467 -3.373 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 9 . 1443 . 1 1 12 DCL HD22 H -10.980 12.571 -4.658 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 9 . 1444 . 1 1 12 DCL HD23 H -11.525 10.950 -4.048 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 9 . 1445 . 1 1 12 DCL HG H -10.385 12.969 -2.080 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 9 . 1446 . 1 1 12 DCL HN1 H -6.572 13.069 -4.700 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 9 . 1447 . 1 1 12 DCL HXT H -8.314 14.021 -0.181 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 9 . 1448 . 1 1 12 DCL N N -7.403 13.687 -4.503 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 9 . 1449 . 1 1 12 DCL OXT O -8.143 13.341 -0.911 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 10 . 1450 . 1 1 1 ACE C C 0.476 1.030 2.117 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 10 . 1451 . 1 1 1 ACE CH3 C 1.463 -0.048 2.405 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 10 . 1452 . 1 1 1 ACE H1 H 2.402 0.174 1.898 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 10 . 1453 . 1 1 1 ACE H2 H 1.635 -0.106 3.479 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 10 . 1454 . 1 1 1 ACE H3 H 1.074 -1.002 2.047 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 10 . 1455 . 1 1 1 ACE O O -0.592 1.158 2.671 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 10 . 1456 . 1 1 2 ABA C C 0.645 3.826 -0.394 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 10 . 1457 . 1 1 2 ABA CA C -0.006 3.050 0.731 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 10 . 1458 . 1 1 2 ABA H H 1.801 1.750 0.697 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 10 . 1459 . 1 1 2 ABA N N 0.858 1.925 1.135 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 10 . 1460 . 1 1 2 ABA O O 0.377 5.024 -0.471 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 10 . 1461 . 1 1 3 ASN C C 1.089 4.533 -3.276 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 10 . 1462 . 1 1 3 ASN CA C 2.121 3.931 -2.327 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 10 . 1463 . 1 1 3 ASN CB C 3.054 2.995 -3.097 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 10 . 1464 . 1 1 3 ASN CG C 4.518 3.302 -2.846 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 10 . 1465 . 1 1 3 ASN H H 1.644 2.256 -1.125 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 10 . 1466 . 1 1 3 ASN HA H 2.704 4.730 -1.895 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 10 . 1467 . 1 1 3 ASN HB2 H 2.863 1.976 -2.792 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1468 . 1 1 3 ASN HB3 H 2.860 3.092 -4.154 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 10 . 1469 . 1 1 3 ASN HD21 H 4.613 4.345 -4.537 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 10 . 1470 . 1 1 3 ASN HD22 H 6.078 4.256 -3.625 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 10 . 1471 . 1 1 3 ASN N N 1.469 3.213 -1.237 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 10 . 1472 . 1 1 3 ASN ND2 N 5.132 4.043 -3.762 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 10 . 1473 . 1 1 3 ASN O O 1.390 5.457 -4.032 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 10 . 1474 . 1 1 3 ASN OD1 O 5.089 2.879 -1.841 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1475 . 1 1 4 ILE C C -1.873 5.718 -3.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 10 . 1476 . 1 1 4 ILE CA C -1.205 4.487 -4.086 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 10 . 1477 . 1 1 4 ILE CB C -2.271 3.401 -4.320 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 10 . 1478 . 1 1 4 ILE CD1 C -1.400 1.124 -3.586 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1479 . 1 1 4 ILE CG1 C -1.608 2.086 -4.735 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 10 . 1480 . 1 1 4 ILE CG2 C -3.267 3.855 -5.376 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 10 . 1481 . 1 1 4 ILE H H -0.307 3.267 -2.608 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 10 . 1482 . 1 1 4 ILE HA H -0.777 4.755 -5.041 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 10 . 1483 . 1 1 4 ILE HB H -2.807 3.249 -3.396 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 10 . 1484 . 1 1 4 ILE HD11 H -1.435 0.109 -3.955 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 10 . 1485 . 1 1 4 ILE HD12 H -0.440 1.310 -3.129 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 10 . 1486 . 1 1 4 ILE HD13 H -2.181 1.266 -2.853 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 10 . 1487 . 1 1 4 ILE HG12 H -2.226 1.595 -5.470 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 10 . 1488 . 1 1 4 ILE HG13 H -0.641 2.300 -5.169 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 10 . 1489 . 1 1 4 ILE HG21 H -3.030 4.862 -5.685 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 10 . 1490 . 1 1 4 ILE HG22 H -3.211 3.196 -6.230 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 10 . 1491 . 1 1 4 ILE HG23 H -4.265 3.830 -4.966 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 10 . 1492 . 1 1 4 ILE N N -0.128 4.002 -3.231 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 10 . 1493 . 1 1 4 ILE O O -2.484 6.516 -4.194 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 10 . 1494 . 1 1 5 ILE C C -1.588 8.289 -1.779 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 10 . 1495 . 1 1 5 ILE CA C -2.342 7.001 -1.469 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 10 . 1496 . 1 1 5 ILE CB C -2.353 6.780 0.055 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 10 . 1497 . 1 1 5 ILE CD1 C -4.620 5.622 0.056 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1498 . 1 1 5 ILE CG1 C -3.151 5.522 0.404 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 10 . 1499 . 1 1 5 ILE CG2 C -2.933 7.996 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 10 . 1500 . 1 1 5 ILE H H -1.253 5.195 -1.655 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 10 . 1501 . 1 1 5 ILE HA H -3.363 7.104 -1.805 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 10 . 1502 . 1 1 5 ILE HB H -1.333 6.654 0.386 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 10 . 1503 . 1 1 5 ILE HD11 H -5.082 6.388 0.661 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 10 . 1504 . 1 1 5 ILE HD12 H -4.726 5.874 -0.989 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 10 . 1505 . 1 1 5 ILE HD13 H -5.101 4.674 0.248 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 10 . 1506 . 1 1 5 ILE HG12 H -2.740 4.682 -0.132 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 10 . 1507 . 1 1 5 ILE HG13 H -3.073 5.339 1.466 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 10 . 1508 . 1 1 5 ILE HG21 H -3.329 7.699 1.722 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 10 . 1509 . 1 1 5 ILE HG22 H -2.157 8.732 0.906 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 10 . 1510 . 1 1 5 ILE HG23 H -3.724 8.418 0.161 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 10 . 1511 . 1 1 5 ILE N N -1.752 5.865 -2.168 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 10 . 1512 . 1 1 5 ILE O O -2.123 9.366 -1.915 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 10 . 1513 . 1 1 6 ABA C C 0.100 10.076 -3.421 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 10 . 1514 . 1 1 6 ABA CA C 0.633 9.344 -2.208 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 10 . 1515 . 1 1 6 ABA H H 0.179 7.208 -1.776 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 10 . 1516 . 1 1 6 ABA N N -0.216 8.177 -1.907 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 10 . 1517 . 1 1 6 ABA O O -0.210 11.260 -3.285 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 10 . 1518 . 1 1 7 PRO C C -2.006 10.409 -5.721 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 10 . 1519 . 1 1 7 PRO CA C -0.517 10.094 -5.807 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 10 . 1520 . 1 1 7 PRO CB C -0.251 9.062 -6.905 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 10 . 1521 . 1 1 7 PRO CD C 0.335 8.028 -4.831 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 10 . 1522 . 1 1 7 PRO CG C -0.231 7.752 -6.197 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 10 . 1523 . 1 1 7 PRO HA H 0.030 11.001 -6.023 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 10 . 1524 . 1 1 7 PRO HB2 H -1.043 9.102 -7.640 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1525 . 1 1 7 PRO HB3 H 0.697 9.269 -7.378 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 10 . 1526 . 1 1 7 PRO HD2 H -0.126 7.387 -4.095 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 10 . 1527 . 1 1 7 PRO HD3 H 1.407 7.893 -4.833 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 10 . 1528 . 1 1 7 PRO HG2 H -1.235 7.363 -6.115 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 10 . 1529 . 1 1 7 PRO HG3 H 0.400 7.056 -6.730 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 10 . 1530 . 1 1 7 PRO N N -0.015 9.439 -4.596 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 10 . 1531 . 1 1 7 PRO O O -2.454 11.469 -6.163 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 10 . 1532 . 1 1 8 LEU C C -4.523 10.813 -4.053 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 10 . 1533 . 1 1 8 LEU CA C -4.210 9.664 -5.006 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 10 . 1534 . 1 1 8 LEU CB C -4.856 8.374 -4.497 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 10 . 1535 . 1 1 8 LEU CD1 C -5.644 6.026 -4.881 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1536 . 1 1 8 LEU CD2 C -5.788 7.708 -6.727 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 10 . 1537 . 1 1 8 LEU CG C -4.991 7.243 -5.517 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 10 . 1538 . 1 1 8 LEU H H -2.356 8.661 -4.817 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 10 . 1539 . 1 1 8 LEU HA H -4.614 9.900 -5.979 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 10 . 1540 . 1 1 8 LEU HB2 H -4.261 8.009 -3.674 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1541 . 1 1 8 LEU HB3 H -5.847 8.620 -4.141 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 10 . 1542 . 1 1 8 LEU HD11 H -5.736 5.241 -5.617 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 10 . 1543 . 1 1 8 LEU HD12 H -6.624 6.293 -4.515 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 10 . 1544 . 1 1 8 LEU HD13 H -5.035 5.679 -4.059 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 10 . 1545 . 1 1 8 LEU HD21 H -5.167 8.337 -7.347 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 10 . 1546 . 1 1 8 LEU HD22 H -6.651 8.268 -6.396 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 10 . 1547 . 1 1 8 LEU HD23 H -6.112 6.849 -7.296 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 10 . 1548 . 1 1 8 LEU HG H -4.005 6.954 -5.856 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 10 . 1549 . 1 1 8 LEU N N -2.770 9.485 -5.150 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 10 . 1550 . 1 1 8 LEU O O -5.654 11.298 -3.998 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 10 . 1551 . 1 1 9 LEU C C -3.871 13.668 -3.082 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 10 . 1552 . 1 1 9 LEU CA C -3.680 12.341 -2.355 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 10 . 1553 . 1 1 9 LEU CB C -2.467 12.424 -1.426 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 10 . 1554 . 1 1 9 LEU CD1 C -3.220 13.014 0.891 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1555 . 1 1 9 LEU CD2 C -1.109 13.996 -0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 10 . 1556 . 1 1 9 LEU CG C -2.514 13.518 -0.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 10 . 1557 . 1 1 9 LEU H H -2.636 10.820 -3.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 10 . 1558 . 1 1 9 LEU HA H -4.561 12.137 -1.766 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 10 . 1559 . 1 1 9 LEU HB2 H -2.371 11.475 -0.923 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1560 . 1 1 9 LEU HB3 H -1.594 12.596 -2.039 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 10 . 1561 . 1 1 9 LEU HD11 H -3.954 13.739 1.207 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 10 . 1562 . 1 1 9 LEU HD12 H -2.496 12.867 1.679 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 10 . 1563 . 1 1 9 LEU HD13 H -3.710 12.076 0.674 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 10 . 1564 . 1 1 9 LEU HD21 H -0.453 13.797 -0.858 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 10 . 1565 . 1 1 9 LEU HD22 H -0.749 13.472 0.850 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 10 . 1566 . 1 1 9 LEU HD23 H -1.128 15.057 0.176 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 10 . 1567 . 1 1 9 LEU HG H -3.074 14.361 -0.740 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 10 . 1568 . 1 1 9 LEU N N -3.514 11.246 -3.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 10 . 1569 . 1 1 9 LEU O O -4.649 14.523 -2.726 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 10 . 1570 . 1 1 10 ABA C C -4.623 15.392 -5.359 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 10 . 1571 . 1 1 10 ABA CA C -3.179 15.102 -5.004 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 10 . 1572 . 1 1 10 ABA H H -2.438 13.076 -4.456 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 10 . 1573 . 1 1 10 ABA N N -3.093 13.865 -4.207 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 10 . 1574 . 1 1 10 ABA O O -5.099 16.464 -4.986 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 10 . 1575 . 1 1 11 PRO C C -7.675 14.680 -5.245 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 10 . 1576 . 1 1 11 PRO CA C -6.732 14.725 -6.443 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 10 . 1577 . 1 1 11 PRO CB C -7.030 13.570 -7.402 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 10 . 1578 . 1 1 11 PRO CD C -4.831 13.200 -6.539 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 10 . 1579 . 1 1 11 PRO CG C -6.074 12.496 -7.010 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 10 . 1580 . 1 1 11 PRO HA H -6.855 15.666 -6.961 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 10 . 1581 . 1 1 11 PRO HB2 H -8.056 13.251 -7.278 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1582 . 1 1 11 PRO HB3 H -6.867 13.890 -8.420 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 10 . 1583 . 1 1 11 PRO HD2 H -4.366 12.649 -5.736 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 10 . 1584 . 1 1 11 PRO HD3 H -4.140 13.333 -7.358 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 10 . 1585 . 1 1 11 PRO HG2 H -6.495 11.904 -6.211 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 10 . 1586 . 1 1 11 PRO HG3 H -5.851 11.874 -7.864 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 10 . 1587 . 1 1 11 PRO N N -5.335 14.499 -6.062 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 10 . 1588 . 1 1 11 PRO O O -8.628 15.414 -5.111 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 10 . 1589 . 1 1 12 DCL C C -7.338 13.864 -1.842 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 10 . 1590 . 1 1 12 DCL CA C -8.203 13.567 -3.065 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 10 . 1591 . 1 1 12 DCL CB C -8.729 12.126 -2.986 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 10 . 1592 . 1 1 12 DCL CD1 C -11.186 11.841 -3.318 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 10 . 1593 . 1 1 12 DCL CD2 C -9.620 10.507 -4.716 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 10 . 1594 . 1 1 12 DCL CG C -9.828 11.855 -4.023 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 10 . 1595 . 1 1 12 DCL HA H -9.067 14.269 -3.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 10 . 1596 . 1 1 12 DCL HB1 H -7.884 11.426 -3.167 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 10 . 1597 . 1 1 12 DCL HB2 H -9.143 11.951 -1.970 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 10 . 1598 . 1 1 12 DCL HC1 H -6.444 13.204 -1.817 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 10 . 1599 . 1 1 12 DCL HC2 H -7.014 14.927 -1.831 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 10 . 1600 . 1 1 12 DCL HD11 H -11.378 10.828 -2.903 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 10 . 1601 . 1 1 12 DCL HD12 H -11.182 12.585 -2.493 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 10 . 1602 . 1 1 12 DCL HD13 H -11.984 12.099 -4.048 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 10 . 1603 . 1 1 12 DCL HD21 H -8.763 10.581 -5.419 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 10 . 1604 . 1 1 12 DCL HD22 H -9.406 9.728 -3.952 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 10 . 1605 . 1 1 12 DCL HD23 H -10.538 10.235 -5.279 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 10 . 1606 . 1 1 12 DCL HG H -9.792 12.656 -4.792 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 10 . 1607 . 1 1 12 DCL HN1 H -6.544 13.137 -4.474 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 10 . 1608 . 1 1 12 DCL HXT H -8.243 14.372 0.002 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 10 . 1609 . 1 1 12 DCL N N -7.390 13.735 -4.281 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 10 . 1610 . 1 1 12 DCL OXT O -8.091 13.624 -0.663 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 11 . 1611 . 1 1 1 ACE C C 0.511 1.032 2.177 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 11 . 1612 . 1 1 1 ACE CH3 C 1.507 -0.030 2.492 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 11 . 1613 . 1 1 1 ACE H1 H 2.321 0.009 1.768 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 11 . 1614 . 1 1 1 ACE H2 H 1.905 0.131 3.495 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 11 . 1615 . 1 1 1 ACE H3 H 1.025 -1.006 2.445 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 11 . 1616 . 1 1 1 ACE O O -0.572 1.145 2.705 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 11 . 1617 . 1 1 2 ABA C C 0.698 3.824 -0.338 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 11 . 1618 . 1 1 2 ABA CA C 0.032 3.040 0.774 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 11 . 1619 . 1 1 2 ABA H H 1.859 1.769 0.788 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 11 . 1620 . 1 1 2 ABA N N 0.903 1.930 1.202 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 11 . 1621 . 1 1 2 ABA O O 0.414 5.017 -0.426 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 11 . 1622 . 1 1 3 ASN C C 1.202 4.528 -3.211 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 11 . 1623 . 1 1 3 ASN CA C 2.219 3.946 -2.234 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 11 . 1624 . 1 1 3 ASN CB C 3.186 3.022 -2.978 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 11 . 1625 . 1 1 3 ASN CG C 4.537 3.668 -3.215 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 11 . 1626 . 1 1 3 ASN H H 1.739 2.267 -1.039 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 11 . 1627 . 1 1 3 ASN HA H 2.779 4.756 -1.791 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 11 . 1628 . 1 1 3 ASN HB2 H 3.335 2.124 -2.396 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1629 . 1 1 3 ASN HB3 H 2.760 2.759 -3.934 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 11 . 1630 . 1 1 3 ASN HD21 H 4.033 4.088 -5.093 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 11 . 1631 . 1 1 3 ASN HD22 H 5.615 4.588 -4.609 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 11 . 1632 . 1 1 3 ASN N N 1.552 3.221 -1.159 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 11 . 1633 . 1 1 3 ASN ND2 N 4.750 4.165 -4.428 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 11 . 1634 . 1 1 3 ASN O O 1.507 5.455 -3.962 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 11 . 1635 . 1 1 3 ASN OD1 O 5.379 3.720 -2.319 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1636 . 1 1 4 ILE C C -1.772 5.666 -3.495 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 11 . 1637 . 1 1 4 ILE CA C -1.070 4.444 -4.077 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 11 . 1638 . 1 1 4 ILE CB C -2.113 3.340 -4.333 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 11 . 1639 . 1 1 4 ILE CD1 C -1.233 1.077 -3.571 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1640 . 1 1 4 ILE CG1 C -1.420 2.034 -4.727 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 11 . 1641 . 1 1 4 ILE CG2 C -3.090 3.775 -5.415 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 11 . 1642 . 1 1 4 ILE H H -0.190 3.243 -2.573 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 11 . 1643 . 1 1 4 ILE HA H -0.623 4.715 -5.022 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 11 . 1644 . 1 1 4 ILE HB H -2.670 3.183 -3.422 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 11 . 1645 . 1 1 4 ILE HD11 H -1.826 1.406 -2.731 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 11 . 1646 . 1 1 4 ILE HD12 H -1.545 0.087 -3.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 11 . 1647 . 1 1 4 ILE HD13 H -0.190 1.054 -3.288 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 11 . 1648 . 1 1 4 ILE HG12 H -2.009 1.534 -5.480 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 11 . 1649 . 1 1 4 ILE HG13 H -0.444 2.262 -5.132 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 11 . 1650 . 1 1 4 ILE HG21 H -4.097 3.739 -5.027 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 11 . 1651 . 1 1 4 ILE HG22 H -2.860 4.784 -5.722 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 11 . 1652 . 1 1 4 ILE HG23 H -3.007 3.113 -6.263 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 11 . 1653 . 1 1 4 ILE N N -0.008 3.978 -3.194 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 11 . 1654 . 1 1 4 ILE O O -2.378 6.452 -4.224 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 11 . 1655 . 1 1 5 ILE C C -1.568 8.248 -1.795 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 11 . 1656 . 1 1 5 ILE CA C -2.309 6.949 -1.498 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 11 . 1657 . 1 1 5 ILE CB C -2.354 6.733 0.026 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 11 . 1658 . 1 1 5 ILE CD1 C -4.601 5.540 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1659 . 1 1 5 ILE CG1 C -3.141 5.464 0.360 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 11 . 1660 . 1 1 5 ILE CG2 C -2.971 7.942 0.714 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 11 . 1661 . 1 1 5 ILE H H -1.188 5.161 -1.651 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 11 . 1662 . 1 1 5 ILE HA H -3.324 7.035 -1.860 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 11 . 1663 . 1 1 5 ILE HB H -1.341 6.625 0.382 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 11 . 1664 . 1 1 5 ILE HD11 H -4.686 5.767 -1.077 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 11 . 1665 . 1 1 5 ILE HD12 H -5.077 4.592 0.179 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 11 . 1666 . 1 1 5 ILE HD13 H -5.085 6.316 0.550 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 11 . 1667 . 1 1 5 ILE HG12 H -2.703 4.628 -0.163 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 11 . 1668 . 1 1 5 ILE HG13 H -3.086 5.286 1.425 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 11 . 1669 . 1 1 5 ILE HG21 H -3.201 7.693 1.739 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 11 . 1670 . 1 1 5 ILE HG22 H -2.271 8.764 0.692 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 11 . 1671 . 1 1 5 ILE HG23 H -3.876 8.226 0.200 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 11 . 1672 . 1 1 5 ILE N N -1.685 5.820 -2.178 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 11 . 1673 . 1 1 5 ILE O O -2.116 9.315 -1.947 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 11 . 1674 . 1 1 6 ABA C C 0.131 10.055 -3.403 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 11 . 1675 . 1 1 6 ABA CA C 0.647 9.336 -2.174 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 11 . 1676 . 1 1 6 ABA H H 0.215 7.195 -1.745 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 11 . 1677 . 1 1 6 ABA N N -0.192 8.157 -1.889 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 11 . 1678 . 1 1 6 ABA O O -0.200 11.235 -3.278 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 11 . 1679 . 1 1 7 PRO C C -1.923 10.348 -5.754 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 11 . 1680 . 1 1 7 PRO CA C -0.427 10.056 -5.802 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 11 . 1681 . 1 1 7 PRO CB C -0.119 9.023 -6.890 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 11 . 1682 . 1 1 7 PRO CD C 0.432 8.006 -4.798 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 11 . 1683 . 1 1 7 PRO CG C -0.096 7.716 -6.176 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 11 . 1684 . 1 1 7 PRO HA H 0.111 10.969 -6.008 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 11 . 1685 . 1 1 7 PRO HB2 H -0.893 9.049 -7.644 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1686 . 1 1 7 PRO HB3 H 0.837 9.244 -7.340 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 11 . 1687 . 1 1 7 PRO HD2 H -0.037 7.361 -4.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 11 . 1688 . 1 1 7 PRO HD3 H 1.506 7.887 -4.774 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 11 . 1689 . 1 1 7 PRO HG2 H -1.096 7.312 -6.117 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 11 . 1690 . 1 1 7 PRO HG3 H 0.558 7.028 -6.691 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 11 . 1691 . 1 1 7 PRO N N 0.055 9.412 -4.577 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 11 . 1692 . 1 1 7 PRO O O -2.376 11.399 -6.210 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 11 . 1693 . 1 1 8 LEU C C -4.485 10.719 -4.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 11 . 1694 . 1 1 8 LEU CA C -4.132 9.572 -5.089 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 11 . 1695 . 1 1 8 LEU CB C -4.771 8.274 -4.591 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 11 . 1696 . 1 1 8 LEU CD1 C -5.513 5.912 -4.985 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1697 . 1 1 8 LEU CD2 C -5.638 7.586 -6.840 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 11 . 1698 . 1 1 8 LEU CG C -4.863 7.137 -5.610 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 11 . 1699 . 1 1 8 LEU H H -2.268 8.598 -4.852 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 11 . 1700 . 1 1 8 LEU HA H -4.516 9.798 -6.073 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 11 . 1701 . 1 1 8 LEU HB2 H -4.190 7.920 -3.753 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1702 . 1 1 8 LEU HB3 H -5.773 8.505 -4.260 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 11 . 1703 . 1 1 8 LEU HD11 H -5.555 5.117 -5.713 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 11 . 1704 . 1 1 8 LEU HD12 H -6.514 6.160 -4.664 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 11 . 1705 . 1 1 8 LEU HD13 H -4.931 5.591 -4.133 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 11 . 1706 . 1 1 8 LEU HD21 H -6.363 8.334 -6.556 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 11 . 1707 . 1 1 8 LEU HD22 H -6.147 6.737 -7.274 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 11 . 1708 . 1 1 8 LEU HD23 H -4.954 8.003 -7.564 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 11 . 1709 . 1 1 8 LEU HG H -3.866 6.862 -5.923 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 11 . 1710 . 1 1 8 LEU N N -2.686 9.414 -5.198 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 11 . 1711 . 1 1 8 LEU O O -5.624 11.187 -4.123 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 11 . 1712 . 1 1 9 LEU C C -3.900 13.587 -3.173 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 11 . 1713 . 1 1 9 LEU CA C -3.707 12.265 -2.437 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 11 . 1714 . 1 1 9 LEU CB C -2.519 12.370 -1.479 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 11 . 1715 . 1 1 9 LEU CD1 C -3.792 13.220 0.507 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1716 . 1 1 9 LEU CD2 C -1.315 13.543 0.381 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 11 . 1717 . 1 1 9 LEU CG C -2.609 13.466 -0.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 11 . 1718 . 1 1 9 LEU H H -2.615 10.757 -3.443 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 11 . 1719 . 1 1 9 LEU HA H -4.599 12.050 -1.868 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 11 . 1720 . 1 1 9 LEU HB2 H -2.420 11.424 -0.970 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1721 . 1 1 9 LEU HB3 H -1.633 12.553 -2.071 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 11 . 1722 . 1 1 9 LEU HD11 H -3.497 13.405 1.528 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 11 . 1723 . 1 1 9 LEU HD12 H -4.119 12.195 0.407 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 11 . 1724 . 1 1 9 LEU HD13 H -4.601 13.883 0.239 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 11 . 1725 . 1 1 9 LEU HD21 H -1.345 12.822 1.185 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 11 . 1726 . 1 1 9 LEU HD22 H -1.204 14.536 0.793 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 11 . 1727 . 1 1 9 LEU HD23 H -0.479 13.326 -0.267 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 11 . 1728 . 1 1 9 LEU HG H -2.759 14.420 -0.903 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 11 . 1729 . 1 1 9 LEU N N -3.501 11.170 -3.378 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 11 . 1730 . 1 1 9 LEU O O -4.699 14.432 -2.839 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 11 . 1731 . 1 1 10 ABA C C -4.623 15.291 -5.474 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 11 . 1732 . 1 1 10 ABA CA C -3.184 15.024 -5.084 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 11 . 1733 . 1 1 10 ABA H H -2.426 13.012 -4.509 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 11 . 1734 . 1 1 10 ABA N N -3.098 13.791 -4.280 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 11 . 1735 . 1 1 10 ABA O O -5.124 16.358 -5.117 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 11 . 1736 . 1 1 11 PRO C C -7.665 14.534 -5.431 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 11 . 1737 . 1 1 11 PRO CA C -6.695 14.589 -6.607 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 11 . 1738 . 1 1 11 PRO CB C -6.952 13.426 -7.568 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 11 . 1739 . 1 1 11 PRO CD C -4.770 13.093 -6.651 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 11 . 1740 . 1 1 11 PRO CG C -5.990 12.368 -7.148 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 11 . 1741 . 1 1 11 PRO HA H -6.820 15.525 -7.131 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 11 . 1742 . 1 1 11 PRO HB2 H -7.976 13.092 -7.467 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1743 . 1 1 11 PRO HB3 H -6.770 13.745 -8.582 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 11 . 1744 . 1 1 11 PRO HD2 H -4.316 12.551 -5.834 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 11 . 1745 . 1 1 11 PRO HD3 H -4.061 13.233 -7.453 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 11 . 1746 . 1 1 11 PRO HG2 H -6.421 11.772 -6.358 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 11 . 1747 . 1 1 11 PRO HG3 H -5.737 11.746 -7.994 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 11 . 1748 . 1 1 11 PRO N N -5.304 14.386 -6.191 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 11 . 1749 . 1 1 11 PRO O O -8.601 15.289 -5.295 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 11 . 1750 . 1 1 12 DCL C C -7.549 13.944 -2.082 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 11 . 1751 . 1 1 12 DCL CA C -8.273 13.370 -3.299 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 11 . 1752 . 1 1 12 DCL CB C -8.545 11.875 -3.078 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 11 . 1753 . 1 1 12 DCL CD1 C -10.664 11.921 -4.397 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 11 . 1754 . 1 1 12 DCL CD2 C -10.759 12.360 -1.951 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 11 . 1755 . 1 1 12 DCL CG C -10.047 11.561 -3.044 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 11 . 1756 . 1 1 12 DCL HA H -9.242 13.901 -3.440 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 11 . 1757 . 1 1 12 DCL HB1 H -8.077 11.299 -3.906 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 11 . 1758 . 1 1 12 DCL HB2 H -8.092 11.567 -2.111 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 11 . 1759 . 1 1 12 DCL HC1 H -6.612 13.383 -1.876 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 11 . 1760 . 1 1 12 DCL HC2 H -7.312 15.019 -2.230 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 11 . 1761 . 1 1 12 DCL HD11 H -10.916 13.003 -4.413 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 11 . 1762 . 1 1 12 DCL HD12 H -9.936 11.697 -5.207 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 11 . 1763 . 1 1 12 DCL HD13 H -11.588 11.323 -4.553 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 11 . 1764 . 1 1 12 DCL HD21 H -10.808 13.430 -2.247 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 11 . 1765 . 1 1 12 DCL HD22 H -11.790 11.966 -1.816 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 11 . 1766 . 1 1 12 DCL HD23 H -10.197 12.265 -0.997 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 11 . 1767 . 1 1 12 DCL HG H -10.176 10.479 -2.829 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 11 . 1768 . 1 1 12 DCL HN1 H -6.594 12.937 -4.683 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 11 . 1769 . 1 1 12 DCL HXT H -8.656 14.662 -0.427 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 11 . 1770 . 1 1 12 DCL N N -7.428 13.552 -4.491 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 11 . 1771 . 1 1 12 DCL OXT O -8.385 13.832 -0.940 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 12 . 1772 . 1 1 1 ACE C C 0.413 0.714 1.922 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 12 . 1773 . 1 1 1 ACE CH3 C 1.463 -0.296 2.235 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 12 . 1774 . 1 1 1 ACE H1 H 2.217 -0.292 1.448 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 12 . 1775 . 1 1 1 ACE H2 H 1.931 -0.050 3.188 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 12 . 1776 . 1 1 1 ACE H3 H 1.009 -1.285 2.297 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 12 . 1777 . 1 1 1 ACE O O -0.706 0.715 2.382 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 12 . 1778 . 1 1 2 ABA C C 0.550 3.676 -0.393 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 12 . 1779 . 1 1 2 ABA CA C -0.124 2.775 0.620 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 12 . 1780 . 1 1 2 ABA H H 1.787 1.635 0.676 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 12 . 1781 . 1 1 2 ABA N N 0.797 1.701 1.034 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 12 . 1782 . 1 1 2 ABA O O 0.183 4.850 -0.426 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 12 . 1783 . 1 1 3 ASN C C 1.179 4.603 -3.178 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 12 . 1784 . 1 1 3 ASN CA C 2.173 4.032 -2.172 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 12 . 1785 . 1 1 3 ASN CB C 3.252 3.230 -2.903 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 12 . 1786 . 1 1 3 ASN CG C 4.528 4.025 -3.102 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 12 . 1787 . 1 1 3 ASN H H 1.745 2.246 -1.118 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 12 . 1788 . 1 1 3 ASN HA H 2.641 4.848 -1.642 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 12 . 1789 . 1 1 3 ASN HB2 H 3.487 2.346 -2.327 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1790 . 1 1 3 ASN HB3 H 2.878 2.934 -3.872 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 12 . 1791 . 1 1 3 ASN HD21 H 4.144 4.201 -5.045 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 12 . 1792 . 1 1 3 ASN HD22 H 5.603 4.948 -4.496 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 12 . 1793 . 1 1 3 ASN N N 1.496 3.191 -1.191 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 12 . 1794 . 1 1 3 ASN ND2 N 4.784 4.433 -4.339 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 12 . 1795 . 1 1 3 ASN O O 1.460 5.597 -3.847 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 12 . 1796 . 1 1 3 ASN OD1 O 5.274 4.270 -2.154 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1797 . 1 1 4 ILE C C -1.823 5.568 -3.610 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 12 . 1798 . 1 1 4 ILE CA C -1.021 4.413 -4.200 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 12 . 1799 . 1 1 4 ILE CB C -1.983 3.266 -4.562 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 12 . 1800 . 1 1 4 ILE CD1 C -0.904 1.056 -3.907 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1801 . 1 1 4 ILE CG1 C -1.197 2.037 -5.021 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 12 . 1802 . 1 1 4 ILE CG2 C -2.957 3.713 -5.643 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 12 . 1803 . 1 1 4 ILE H H -0.149 3.181 -2.717 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 12 . 1804 . 1 1 4 ILE HA H -0.538 4.750 -5.106 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 12 . 1805 . 1 1 4 ILE HB H -2.553 3.013 -3.681 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 12 . 1806 . 1 1 4 ILE HD11 H -1.562 1.251 -3.073 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 12 . 1807 . 1 1 4 ILE HD12 H -1.060 0.049 -4.263 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 12 . 1808 . 1 1 4 ILE HD13 H 0.123 1.170 -3.589 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 12 . 1809 . 1 1 4 ILE HG12 H -1.762 1.518 -5.779 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 12 . 1810 . 1 1 4 ILE HG13 H -0.253 2.358 -5.439 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 12 . 1811 . 1 1 4 ILE HG21 H -3.962 3.704 -5.248 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 12 . 1812 . 1 1 4 ILE HG22 H -2.706 4.714 -5.961 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 12 . 1813 . 1 1 4 ILE HG23 H -2.894 3.040 -6.484 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 12 . 1814 . 1 1 4 ILE N N 0.016 3.967 -3.278 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 12 . 1815 . 1 1 4 ILE O O -2.454 6.334 -4.338 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 12 . 1816 . 1 1 5 ILE C C -1.885 8.111 -1.878 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 12 . 1817 . 1 1 5 ILE CA C -2.514 6.750 -1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 12 . 1818 . 1 1 5 ILE CB C -2.547 6.515 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 12 . 1819 . 1 1 5 ILE CD1 C -4.672 5.117 -0.160 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1820 . 1 1 5 ILE CG1 C -3.214 5.175 0.239 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 12 . 1821 . 1 1 5 ILE CG2 C -3.276 7.654 0.619 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 12 . 1822 . 1 1 5 ILE H H -1.271 5.045 -1.761 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 12 . 1823 . 1 1 5 ILE HA H -3.530 6.753 -1.965 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 12 . 1824 . 1 1 5 ILE HB H -1.530 6.497 0.284 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 12 . 1825 . 1 1 5 ILE HD11 H -5.220 5.885 0.364 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 12 . 1826 . 1 1 5 ILE HD12 H -4.761 5.272 -1.225 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 12 . 1827 . 1 1 5 ILE HD13 H -5.077 4.148 0.097 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 12 . 1828 . 1 1 5 ILE HG12 H -2.696 4.388 -0.286 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 12 . 1829 . 1 1 5 ILE HG13 H -3.153 4.993 1.303 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 12 . 1830 . 1 1 5 ILE HG21 H -2.753 8.581 0.438 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 12 . 1831 . 1 1 5 ILE HG22 H -4.281 7.727 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 12 . 1832 . 1 1 5 ILE HG23 H -3.313 7.463 1.681 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 12 . 1833 . 1 1 5 ILE N N -1.792 5.687 -2.287 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 12 . 1834 . 1 1 5 ILE O O -2.523 9.125 -2.044 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 12 . 1835 . 1 1 6 ABA C C -0.302 10.055 -3.456 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 12 . 1836 . 1 1 6 ABA CA C 0.231 9.394 -2.203 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 12 . 1837 . 1 1 6 ABA H H -0.017 7.222 -1.783 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 12 . 1838 . 1 1 6 ABA N N -0.505 8.144 -1.938 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 12 . 1839 . 1 1 6 ABA O O -0.752 11.197 -3.353 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 12 . 1840 . 1 1 7 PRO C C -2.277 10.137 -5.891 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 12 . 1841 . 1 1 7 PRO CA C -0.759 9.993 -5.877 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 12 . 1842 . 1 1 7 PRO CB C -0.307 8.993 -6.944 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 12 . 1843 . 1 1 7 PRO CD C 0.256 8.041 -4.825 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 12 . 1844 . 1 1 7 PRO CG C -0.185 7.697 -6.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 12 . 1845 . 1 1 7 PRO HA H -0.306 10.955 -6.067 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 12 . 1846 . 1 1 7 PRO HB2 H -1.049 8.940 -7.728 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1847 . 1 1 7 PRO HB3 H 0.640 9.306 -7.357 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 12 . 1848 . 1 1 7 PRO HD2 H -0.177 7.356 -4.112 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 12 . 1849 . 1 1 7 PRO HD3 H 1.334 8.029 -4.756 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 12 . 1850 . 1 1 7 PRO HG2 H -1.141 7.196 -6.198 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 12 . 1851 . 1 1 7 PRO HG3 H 0.555 7.075 -6.704 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 12 . 1852 . 1 1 7 PRO N N -0.267 9.404 -4.628 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 12 . 1853 . 1 1 7 PRO O O -2.839 10.825 -6.744 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 12 . 1854 . 1 1 8 LEU C C -4.836 10.729 -3.999 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 12 . 1855 . 1 1 8 LEU CA C -4.392 9.539 -4.843 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 12 . 1856 . 1 1 8 LEU CB C -4.932 8.241 -4.240 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 12 . 1857 . 1 1 8 LEU CD1 C -5.403 5.788 -4.451 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1858 . 1 1 8 LEU CD2 C -6.215 7.370 -6.210 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 12 . 1859 . 1 1 8 LEU CG C -5.107 7.072 -5.210 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 12 . 1860 . 1 1 8 LEU H H -2.436 8.951 -4.289 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 12 . 1861 . 1 1 8 LEU HA H -4.787 9.654 -5.842 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 12 . 1862 . 1 1 8 LEU HB2 H -4.250 7.927 -3.465 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1863 . 1 1 8 LEU HB3 H -5.896 8.457 -3.803 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 12 . 1864 . 1 1 8 LEU HD11 H -6.292 5.920 -3.853 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 12 . 1865 . 1 1 8 LEU HD12 H -4.569 5.550 -3.807 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 12 . 1866 . 1 1 8 LEU HD13 H -5.557 4.982 -5.153 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 12 . 1867 . 1 1 8 LEU HD21 H -7.062 7.794 -5.691 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 12 . 1868 . 1 1 8 LEU HD22 H -6.514 6.454 -6.699 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 12 . 1869 . 1 1 8 LEU HD23 H -5.855 8.072 -6.947 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 12 . 1870 . 1 1 8 LEU HG H -4.188 6.929 -5.761 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 12 . 1871 . 1 1 8 LEU N N -2.937 9.483 -4.941 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 12 . 1872 . 1 1 8 LEU O O -5.944 11.242 -4.163 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 12 . 1873 . 1 1 9 LEU C C -4.277 13.602 -3.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 12 . 1874 . 1 1 9 LEU CA C -4.266 12.297 -2.226 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 12 . 1875 . 1 1 9 LEU CB C -3.242 12.381 -1.093 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 12 . 1876 . 1 1 9 LEU CD1 C -3.192 13.465 1.167 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1877 . 1 1 9 LEU CD2 C -1.959 14.507 -0.744 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 12 . 1878 . 1 1 9 LEU CG C -3.188 13.708 -0.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 12 . 1879 . 1 1 9 LEU H H -3.098 10.715 -3.011 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 12 . 1880 . 1 1 9 LEU HA H -5.247 12.138 -1.803 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 12 . 1881 . 1 1 9 LEU HB2 H -3.471 11.603 -0.381 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1882 . 1 1 9 LEU HB3 H -2.264 12.202 -1.518 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 12 . 1883 . 1 1 9 LEU HD11 H -2.176 13.369 1.518 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 12 . 1884 . 1 1 9 LEU HD12 H -3.736 12.558 1.383 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 12 . 1885 . 1 1 9 LEU HD13 H -3.669 14.297 1.664 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 12 . 1886 . 1 1 9 LEU HD21 H -2.130 14.960 -1.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 12 . 1887 . 1 1 9 LEU HD22 H -1.105 13.848 -0.803 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 12 . 1888 . 1 1 9 LEU HD23 H -1.770 15.278 -0.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 12 . 1889 . 1 1 9 LEU HG H -4.064 14.292 -0.580 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 12 . 1890 . 1 1 9 LEU N N -3.965 11.165 -3.096 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 12 . 1891 . 1 1 9 LEU O O -5.072 14.494 -2.827 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 12 . 1892 . 1 1 10 ABA C C -4.560 15.274 -5.426 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 12 . 1893 . 1 1 10 ABA CA C -3.209 14.941 -4.831 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 12 . 1894 . 1 1 10 ABA H H -2.652 12.914 -4.099 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 12 . 1895 . 1 1 10 ABA N N -3.309 13.731 -3.993 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 12 . 1896 . 1 1 10 ABA O O -5.041 16.378 -5.171 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 12 . 1897 . 1 1 11 PRO C C -7.619 14.689 -5.792 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 12 . 1898 . 1 1 11 PRO CA C -6.494 14.651 -6.820 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 12 . 1899 . 1 1 11 PRO CB C -6.684 13.472 -7.778 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 12 . 1900 . 1 1 11 PRO CD C -4.674 13.049 -6.555 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 12 . 1901 . 1 1 11 PRO CG C -5.855 12.377 -7.201 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 12 . 1902 . 1 1 11 PRO HA H -6.488 15.574 -7.381 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 12 . 1903 . 1 1 11 PRO HB2 H -7.730 13.199 -7.814 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1904 . 1 1 11 PRO HB3 H -6.344 13.746 -8.765 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 12 . 1905 . 1 1 11 PRO HD2 H -4.372 12.510 -5.670 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 12 . 1906 . 1 1 11 PRO HD3 H -3.854 13.122 -7.254 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 12 . 1907 . 1 1 11 PRO HG2 H -6.426 11.833 -6.464 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 12 . 1908 . 1 1 11 PRO HG3 H -5.525 11.714 -7.987 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 12 . 1909 . 1 1 11 PRO N N -5.189 14.384 -6.208 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 12 . 1910 . 1 1 11 PRO O O -8.737 15.086 -6.033 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 12 . 1911 . 1 1 12 DCL C C -8.161 15.508 -2.623 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 12 . 1912 . 1 1 12 DCL CA C -8.280 14.213 -3.424 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 12 . 1913 . 1 1 12 DCL CB C -7.999 13.013 -2.508 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 12 . 1914 . 1 1 12 DCL CD1 C -8.578 10.670 -1.872 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 12 . 1915 . 1 1 12 DCL CD2 C -8.890 11.388 -4.232 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 12 . 1916 . 1 1 12 DCL CG C -8.959 11.845 -2.774 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 12 . 1917 . 1 1 12 DCL HA H -9.311 14.123 -3.837 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 12 . 1918 . 1 1 12 DCL HB1 H -6.956 12.667 -2.681 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 12 . 1919 . 1 1 12 DCL HB2 H -8.111 13.335 -1.451 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 12 . 1920 . 1 1 12 DCL HC1 H -7.583 15.345 -1.688 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 12 . 1921 . 1 1 12 DCL HC2 H -7.674 16.305 -3.225 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 12 . 1922 . 1 1 12 DCL HD11 H -7.496 10.448 -1.989 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 12 . 1923 . 1 1 12 DCL HD12 H -8.791 10.932 -0.813 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 12 . 1924 . 1 1 12 DCL HD13 H -9.173 9.775 -2.159 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 12 . 1925 . 1 1 12 DCL HD21 H -8.707 10.293 -4.269 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 12 . 1926 . 1 1 12 DCL HD22 H -9.853 11.619 -4.738 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 12 . 1927 . 1 1 12 DCL HD23 H -8.062 11.919 -4.748 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 12 . 1928 . 1 1 12 DCL HG H -9.995 12.185 -2.560 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 12 . 1929 . 1 1 12 DCL HN1 H -6.311 13.910 -4.400 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 12 . 1930 . 1 1 12 DCL HXT H -9.777 16.873 -2.562 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 12 . 1931 . 1 1 12 DCL N N -7.305 14.238 -4.527 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 12 . 1932 . 1 1 12 DCL OXT O -9.458 15.960 -2.263 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 13 . 1933 . 1 1 1 ACE C C 0.563 1.056 2.084 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 13 . 1934 . 1 1 1 ACE CH3 C 1.615 0.054 2.416 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 13 . 1935 . 1 1 1 ACE H1 H 1.181 -0.945 2.408 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 13 . 1936 . 1 1 1 ACE H2 H 2.415 0.110 1.677 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 13 . 1937 . 1 1 1 ACE H3 H 2.019 0.267 3.406 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 13 . 1938 . 1 1 1 ACE O O -0.542 1.089 2.577 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 13 . 1939 . 1 1 2 ABA C C 0.649 3.896 -0.381 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 13 . 1940 . 1 1 2 ABA CA C 0.000 3.053 0.697 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 13 . 1941 . 1 1 2 ABA H H 1.904 1.902 0.752 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 13 . 1942 . 1 1 2 ABA N N 0.927 1.994 1.137 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 13 . 1943 . 1 1 2 ABA O O 0.290 5.070 -0.461 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 13 . 1944 . 1 1 3 ASN C C 1.199 4.679 -3.225 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 13 . 1945 . 1 1 3 ASN CA C 2.220 4.149 -2.223 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 13 . 1946 . 1 1 3 ASN CB C 3.270 3.302 -2.946 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 13 . 1947 . 1 1 3 ASN CG C 4.686 3.690 -2.567 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 13 . 1948 . 1 1 3 ASN H H 1.812 2.422 -1.068 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 13 . 1949 . 1 1 3 ASN HA H 2.710 4.986 -1.749 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 13 . 1950 . 1 1 3 ASN HB2 H 3.121 2.263 -2.692 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 1951 . 1 1 3 ASN HB3 H 3.154 3.429 -4.012 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 13 . 1952 . 1 1 3 ASN HD21 H 5.230 3.666 -4.480 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 13 . 1953 . 1 1 3 ASN HD22 H 6.473 4.072 -3.350 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 13 . 1954 . 1 1 3 ASN N N 1.567 3.364 -1.181 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 13 . 1955 . 1 1 3 ASN ND2 N 5.550 3.823 -3.566 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 13 . 1956 . 1 1 3 ASN O O 1.467 5.637 -3.951 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 13 . 1957 . 1 1 3 ASN OD1 O 4.999 3.867 -1.390 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 13 . 1958 . 1 1 4 ILE C C -1.809 5.645 -3.611 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 13 . 1959 . 1 1 4 ILE CA C -1.032 4.458 -4.169 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 13 . 1960 . 1 1 4 ILE CB C -2.011 3.303 -4.448 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 13 . 1961 . 1 1 4 ILE CD1 C -0.927 1.119 -3.718 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 13 . 1962 . 1 1 4 ILE CG1 C -1.246 2.047 -4.869 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 13 . 1963 . 1 1 4 ILE CG2 C -3.013 3.704 -5.520 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 13 . 1964 . 1 1 4 ILE H H -0.124 3.293 -2.655 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 13 . 1965 . 1 1 4 ILE HA H -0.574 4.749 -5.104 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 13 . 1966 . 1 1 4 ILE HB H -2.556 3.096 -3.540 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 13 . 1967 . 1 1 4 ILE HD11 H 0.143 1.078 -3.574 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 13 . 1968 . 1 1 4 ILE HD12 H -1.399 1.485 -2.819 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 13 . 1969 . 1 1 4 ILE HD13 H -1.296 0.128 -3.941 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 13 . 1970 . 1 1 4 ILE HG12 H -1.836 1.496 -5.585 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 13 . 1971 . 1 1 4 ILE HG13 H -0.313 2.341 -5.329 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 13 . 1972 . 1 1 4 ILE HG21 H -4.003 3.749 -5.090 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 13 . 1973 . 1 1 4 ILE HG22 H -2.749 4.674 -5.914 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 13 . 1974 . 1 1 4 ILE HG23 H -2.999 2.976 -6.317 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 13 . 1975 . 1 1 4 ILE N N 0.029 4.049 -3.258 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 13 . 1976 . 1 1 4 ILE O O -2.457 6.382 -4.355 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 13 . 1977 . 1 1 5 ILE C C -1.799 8.267 -1.991 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 13 . 1978 . 1 1 5 ILE CA C -2.433 6.926 -1.638 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 13 . 1979 . 1 1 5 ILE CB C -2.432 6.757 -0.108 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 13 . 1980 . 1 1 5 ILE CD1 C -4.572 5.380 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 13 . 1981 . 1 1 5 ILE CG1 C -3.104 5.439 0.283 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 13 . 1982 . 1 1 5 ILE CG2 C -3.134 7.933 0.556 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 13 . 1983 . 1 1 5 ILE H H -1.206 5.206 -1.756 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 13 . 1984 . 1 1 5 ILE HA H -3.459 6.924 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 13 . 1985 . 1 1 5 ILE HB H -1.407 6.744 0.230 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 13 . 1986 . 1 1 5 ILE HD11 H -4.831 6.239 -0.679 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 13 . 1987 . 1 1 5 ILE HD12 H -4.771 4.476 -0.633 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 13 . 1988 . 1 1 5 ILE HD13 H -5.165 5.384 0.827 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 13 . 1989 . 1 1 5 ILE HG12 H -2.607 4.625 -0.221 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 13 . 1990 . 1 1 5 ILE HG13 H -3.018 5.302 1.351 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 13 . 1991 . 1 1 5 ILE HG21 H -2.401 8.563 1.038 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 13 . 1992 . 1 1 5 ILE HG22 H -3.662 8.504 -0.192 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 13 . 1993 . 1 1 5 ILE HG23 H -3.833 7.566 1.291 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 13 . 1994 . 1 1 5 ILE N N -1.739 5.826 -2.296 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 13 . 1995 . 1 1 5 ILE O O -2.432 9.277 -2.195 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 13 . 1996 . 1 1 6 ABA C C -0.240 10.132 -3.673 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 13 . 1997 . 1 1 6 ABA CA C 0.322 9.515 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 13 . 1998 . 1 1 6 ABA H H 0.064 7.367 -1.885 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 13 . 1999 . 1 1 6 ABA N N -0.420 8.285 -2.075 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 13 . 2000 . 1 1 6 ABA O O -0.673 11.283 -3.605 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 13 . 2001 . 1 1 7 PRO C C -2.286 10.142 -6.051 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 13 . 2002 . 1 1 7 PRO CA C -0.770 9.978 -6.075 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 13 . 2003 . 1 1 7 PRO CB C -0.362 8.929 -7.113 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 13 . 2004 . 1 1 7 PRO CD C 0.252 8.057 -4.973 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 13 . 2005 . 1 1 7 PRO CG C -0.235 7.661 -6.340 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 13 . 2006 . 1 1 7 PRO HA H -0.310 10.925 -6.318 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 13 . 2007 . 1 1 7 PRO HB2 H -1.127 8.854 -7.873 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 2008 . 1 1 7 PRO HB3 H 0.577 9.211 -7.565 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 13 . 2009 . 1 1 7 PRO HD2 H -0.169 7.406 -4.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 13 . 2010 . 1 1 7 PRO HD3 H 1.331 8.032 -4.935 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 13 . 2011 . 1 1 7 PRO HG2 H -1.196 7.176 -6.270 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 13 . 2012 . 1 1 7 PRO HG3 H 0.482 7.011 -6.819 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 13 . 2013 . 1 1 7 PRO N N -0.248 9.433 -4.818 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 13 . 2014 . 1 1 7 PRO O O -2.864 10.797 -6.919 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 13 . 2015 . 1 1 8 LEU C C -4.778 10.862 -4.119 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 13 . 2016 . 1 1 8 LEU CA C -4.375 9.624 -4.913 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 13 . 2017 . 1 1 8 LEU CB C -4.912 8.366 -4.228 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 13 . 2018 . 1 1 8 LEU CD1 C -5.451 5.919 -4.301 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 13 . 2019 . 1 1 8 LEU CD2 C -6.257 7.429 -6.124 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 13 . 2020 . 1 1 8 LEU CG C -5.137 7.153 -5.132 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 13 . 2021 . 1 1 8 LEU H H -2.410 9.036 -4.390 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 13 . 2022 . 1 1 8 LEU HA H -4.798 9.693 -5.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 13 . 2023 . 1 1 8 LEU HB2 H -4.208 8.081 -3.462 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 2024 . 1 1 8 LEU HB3 H -5.857 8.619 -3.769 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 13 . 2025 . 1 1 8 LEU HD11 H -5.900 5.166 -4.930 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 13 . 2026 . 1 1 8 LEU HD12 H -6.136 6.183 -3.509 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 13 . 2027 . 1 1 8 LEU HD13 H -4.538 5.533 -3.872 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 13 . 2028 . 1 1 8 LEU HD21 H -7.154 7.703 -5.588 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 13 . 2029 . 1 1 8 LEU HD22 H -6.446 6.541 -6.710 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 13 . 2030 . 1 1 8 LEU HD23 H -5.968 8.238 -6.778 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 13 . 2031 . 1 1 8 LEU HG H -4.234 6.957 -5.692 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 13 . 2032 . 1 1 8 LEU N N -2.925 9.543 -5.051 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 13 . 2033 . 1 1 8 LEU O O -5.874 11.395 -4.295 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 13 . 2034 . 1 1 9 LEU C C -4.137 13.760 -3.272 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 13 . 2035 . 1 1 9 LEU CA C -4.148 12.492 -2.425 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 13 . 2036 . 1 1 9 LEU CB C -3.107 12.602 -1.309 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 13 . 2037 . 1 1 9 LEU CD1 C -2.087 11.738 0.811 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 13 . 2038 . 1 1 9 LEU CD2 C -4.575 11.867 0.585 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 13 . 2039 . 1 1 9 LEU CG C -3.263 11.622 -0.146 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 13 . 2040 . 1 1 9 LEU H H -3.030 10.847 -3.150 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 13 . 2041 . 1 1 9 LEU HA H -5.126 12.377 -1.983 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 13 . 2042 . 1 1 9 LEU HB2 H -2.134 12.442 -1.748 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 2043 . 1 1 9 LEU HB3 H -3.158 13.604 -0.908 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 13 . 2044 . 1 1 9 LEU HD11 H -2.453 11.804 1.825 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 13 . 2045 . 1 1 9 LEU HD12 H -1.517 12.624 0.575 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 13 . 2046 . 1 1 9 LEU HD13 H -1.455 10.867 0.712 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 13 . 2047 . 1 1 9 LEU HD21 H -5.097 10.930 0.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 13 . 2048 . 1 1 9 LEU HD22 H -5.187 12.545 0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 13 . 2049 . 1 1 9 LEU HD23 H -4.372 12.298 1.554 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 13 . 2050 . 1 1 9 LEU HG H -3.279 10.612 -0.534 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 13 . 2051 . 1 1 9 LEU N N -3.886 11.315 -3.245 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 13 . 2052 . 1 1 9 LEU O O -4.903 14.683 -3.111 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 13 . 2053 . 1 1 10 ABA C C -4.422 15.335 -5.744 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 13 . 2054 . 1 1 10 ABA CA C -3.067 14.984 -5.166 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 13 . 2055 . 1 1 10 ABA H H -2.554 12.977 -4.353 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 13 . 2056 . 1 1 10 ABA N N -3.185 13.817 -4.272 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 13 . 2057 . 1 1 10 ABA O O -4.865 16.462 -5.522 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 13 . 2058 . 1 1 11 PRO C C -7.505 14.829 -6.020 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 13 . 2059 . 1 1 11 PRO CA C -6.405 14.717 -7.071 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 13 . 2060 . 1 1 11 PRO CB C -6.651 13.508 -7.977 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 13 . 2061 . 1 1 11 PRO CD C -4.627 13.072 -6.783 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 13 . 2062 . 1 1 11 PRO CG C -5.841 12.412 -7.376 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 13 . 2063 . 1 1 11 PRO HA H -6.385 15.618 -7.666 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 13 . 2064 . 1 1 11 PRO HB2 H -7.705 13.266 -7.979 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 2065 . 1 1 11 PRO HB3 H -6.326 13.734 -8.981 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 13 . 2066 . 1 1 11 PRO HD2 H -4.320 12.559 -5.884 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 13 . 2067 . 1 1 11 PRO HD3 H -3.821 13.094 -7.501 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 13 . 2068 . 1 1 11 PRO HG2 H -6.411 11.914 -6.606 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 13 . 2069 . 1 1 11 PRO HG3 H -5.549 11.710 -8.142 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 13 . 2070 . 1 1 11 PRO N N -5.094 14.435 -6.477 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 13 . 2071 . 1 1 11 PRO O O -8.613 15.257 -6.250 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 13 . 2072 . 1 1 12 DCL C C -7.865 15.710 -2.798 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 13 . 2073 . 1 1 12 DCL CA C -8.128 14.452 -3.624 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 13 . 2074 . 1 1 12 DCL CB C -7.949 13.209 -2.741 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 13 . 2075 . 1 1 12 DCL CD1 C -10.306 12.390 -2.697 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 13 . 2076 . 1 1 12 DCL CD2 C -8.455 10.738 -2.528 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 13 . 2077 . 1 1 12 DCL CG C -8.884 12.065 -3.157 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 13 . 2078 . 1 1 12 DCL HA H -9.171 14.475 -4.015 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 13 . 2079 . 1 1 12 DCL HB1 H -6.896 12.860 -2.822 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 13 . 2080 . 1 1 12 DCL HB2 H -8.166 13.484 -1.686 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 13 . 2081 . 1 1 12 DCL HC1 H -7.476 15.449 -1.790 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 13 . 2082 . 1 1 12 DCL HC2 H -7.142 16.380 -3.312 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 13 . 2083 . 1 1 12 DCL HD11 H -10.513 13.469 -2.865 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 13 . 2084 . 1 1 12 DCL HD12 H -11.031 11.779 -3.277 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 13 . 2085 . 1 1 12 DCL HD13 H -10.408 12.158 -1.615 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 13 . 2086 . 1 1 12 DCL HD21 H -9.348 10.094 -2.379 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 13 . 2087 . 1 1 12 DCL HD22 H -7.736 10.224 -3.202 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 13 . 2088 . 1 1 12 DCL HD23 H -7.971 10.933 -1.547 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 13 . 2089 . 1 1 12 DCL HG H -8.842 11.960 -4.262 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 13 . 2090 . 1 1 12 DCL HN1 H -6.193 14.048 -4.632 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 13 . 2091 . 1 1 12 DCL HXT H -9.157 17.378 -2.959 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 13 . 2092 . 1 1 12 DCL N N -7.177 14.407 -4.748 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 13 . 2093 . 1 1 12 DCL OXT O -9.079 16.425 -2.627 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 14 . 2094 . 1 1 1 ACE C C 0.848 2.226 0.344 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 14 . 2095 . 1 1 1 ACE CH3 C 1.199 0.789 0.526 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 14 . 2096 . 1 1 1 ACE H1 H 0.422 0.166 0.082 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 14 . 2097 . 1 1 1 ACE H2 H 2.152 0.583 0.040 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 14 . 2098 . 1 1 1 ACE H3 H 1.278 0.567 1.590 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 14 . 2099 . 1 1 1 ACE O O 0.071 2.650 -0.481 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 14 . 2100 . 1 1 2 ABA C C 1.717 5.109 -0.171 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 14 . 2101 . 1 1 2 ABA CA C 1.249 4.551 1.157 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 14 . 2102 . 1 1 2 ABA H H 2.148 2.654 1.898 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 14 . 2103 . 1 1 2 ABA N N 1.486 3.097 1.207 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 14 . 2104 . 1 1 2 ABA O O 1.415 6.275 -0.422 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 14 . 2105 . 1 1 3 ASN C C 1.783 4.837 -3.323 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 14 . 2106 . 1 1 3 ASN CA C 2.900 4.856 -2.283 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 14 . 2107 . 1 1 3 ASN CB C 4.085 4.024 -2.776 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 14 . 2108 . 1 1 3 ASN CG C 5.413 4.724 -2.558 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 14 . 2109 . 1 1 3 ASN H H 2.634 3.427 -0.744 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 14 . 2110 . 1 1 3 ASN HA H 3.223 5.876 -2.138 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 14 . 2111 . 1 1 3 ASN HB2 H 4.104 3.084 -2.244 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2112 . 1 1 3 ASN HB3 H 3.969 3.833 -3.832 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 14 . 2113 . 1 1 3 ASN HD21 H 6.224 3.031 -1.900 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 14 . 2114 . 1 1 3 ASN HD22 H 7.272 4.405 -1.930 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 14 . 2115 . 1 1 3 ASN N N 2.425 4.349 -1.001 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 14 . 2116 . 1 1 3 ASN ND2 N 6.403 3.978 -2.081 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 14 . 2117 . 1 1 3 ASN O O 1.857 5.526 -4.340 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 14 . 2118 . 1 1 3 ASN OD1 O 5.547 5.920 -2.815 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2119 . 1 1 4 ILE C C -1.441 4.987 -3.658 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 14 . 2120 . 1 1 4 ILE CA C -0.382 3.935 -3.971 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 14 . 2121 . 1 1 4 ILE CB C -1.026 2.538 -3.905 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 14 . 2122 . 1 1 4 ILE CD1 C -0.541 0.053 -4.164 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2123 . 1 1 4 ILE CG1 C 0.001 1.462 -4.263 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 14 . 2124 . 1 1 4 ILE CG2 C -2.226 2.464 -4.838 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 14 . 2125 . 1 1 4 ILE H H 0.750 3.518 -2.232 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 14 . 2126 . 1 1 4 ILE HA H -0.017 4.095 -4.975 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 14 . 2127 . 1 1 4 ILE HB H -1.374 2.373 -2.897 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 14 . 2128 . 1 1 4 ILE HD11 H -1.558 0.083 -3.803 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 14 . 2129 . 1 1 4 ILE HD12 H -0.517 -0.412 -5.138 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 14 . 2130 . 1 1 4 ILE HD13 H 0.067 -0.519 -3.478 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 14 . 2131 . 1 1 4 ILE HG12 H 0.337 1.617 -5.276 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 14 . 2132 . 1 1 4 ILE HG13 H 0.844 1.542 -3.592 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 14 . 2133 . 1 1 4 ILE HG21 H -3.127 2.337 -4.256 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 14 . 2134 . 1 1 4 ILE HG22 H -2.294 3.377 -5.410 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 14 . 2135 . 1 1 4 ILE HG23 H -2.110 1.626 -5.509 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 14 . 2136 . 1 1 4 ILE N N 0.751 4.043 -3.059 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 14 . 2137 . 1 1 4 ILE O O -2.102 5.503 -4.559 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 14 . 2138 . 1 1 5 ILE C C -2.126 7.701 -2.316 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 14 . 2139 . 1 1 5 ILE CA C -2.573 6.291 -1.944 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 14 . 2140 . 1 1 5 ILE CB C -2.809 6.224 -0.424 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 14 . 2141 . 1 1 5 ILE CD1 C -3.576 4.691 1.458 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2142 . 1 1 5 ILE CG1 C -3.312 4.836 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 14 . 2143 . 1 1 5 ILE CG2 C -3.800 7.296 0.006 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 14 . 2144 . 1 1 5 ILE H H -1.039 4.853 -1.704 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 14 . 2145 . 1 1 5 ILE HA H -3.507 6.078 -2.443 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 14 . 2146 . 1 1 5 ILE HB H -1.871 6.416 0.073 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 14 . 2147 . 1 1 5 ILE HD11 H -4.563 5.065 1.687 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 14 . 2148 . 1 1 5 ILE HD12 H -3.510 3.651 1.736 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 14 . 2149 . 1 1 5 ILE HD13 H -2.840 5.259 2.011 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 14 . 2150 . 1 1 5 ILE HG12 H -4.234 4.629 -0.546 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 14 . 2151 . 1 1 5 ILE HG13 H -2.573 4.099 -0.304 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 14 . 2152 . 1 1 5 ILE HG21 H -3.958 7.234 1.072 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 14 . 2153 . 1 1 5 ILE HG22 H -3.406 8.270 -0.243 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 14 . 2154 . 1 1 5 ILE HG23 H -4.738 7.146 -0.506 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 14 . 2155 . 1 1 5 ILE N N -1.596 5.299 -2.376 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 14 . 2156 . 1 1 5 ILE O O -2.885 8.578 -2.660 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 14 . 2157 . 1 1 6 ABA C C -0.749 9.747 -3.908 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 14 . 2158 . 1 1 6 ABA CA C -0.201 9.268 -2.580 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 14 . 2159 . 1 1 6 ABA H H -0.170 7.137 -1.938 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 14 . 2160 . 1 1 6 ABA N N -0.768 7.949 -2.245 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 14 . 2161 . 1 1 6 ABA O O -1.353 10.820 -3.924 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 14 . 2162 . 1 1 7 PRO C C -2.581 9.360 -6.423 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 14 . 2163 . 1 1 7 PRO CA C -1.060 9.429 -6.331 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 14 . 2164 . 1 1 7 PRO CB C -0.420 8.419 -7.287 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 14 . 2165 . 1 1 7 PRO CD C 0.148 7.727 -5.070 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 14 . 2166 . 1 1 7 PRO CG C -0.165 7.214 -6.449 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 14 . 2167 . 1 1 7 PRO HA H -0.730 10.426 -6.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 14 . 2168 . 1 1 7 PRO HB2 H -1.104 8.201 -8.095 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2169 . 1 1 7 PRO HB3 H 0.498 8.825 -7.683 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 14 . 2170 . 1 1 7 PRO HD2 H -0.228 7.047 -4.320 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 14 . 2171 . 1 1 7 PRO HD3 H 1.213 7.869 -4.954 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 14 . 2172 . 1 1 7 PRO HG2 H -1.046 6.590 -6.425 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 14 . 2173 . 1 1 7 PRO HG3 H 0.676 6.664 -6.844 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 14 . 2174 . 1 1 7 PRO N N -0.562 9.015 -5.016 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 14 . 2175 . 1 1 7 PRO O O -3.181 9.896 -7.356 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 14 . 2176 . 1 1 8 LEU C C -5.302 9.788 -4.794 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 14 . 2177 . 1 1 8 LEU CA C -4.650 8.560 -5.422 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 14 . 2178 . 1 1 8 LEU CB C -5.047 7.304 -4.644 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 14 . 2179 . 1 1 8 LEU CD1 C -5.026 4.807 -4.434 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2180 . 1 1 8 LEU CD2 C -5.966 5.878 -6.490 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 14 . 2181 . 1 1 8 LEU CG C -4.913 5.979 -5.396 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 14 . 2182 . 1 1 8 LEU H H -2.666 8.293 -4.735 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 14 . 2183 . 1 1 8 LEU HA H -4.994 8.467 -6.441 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 14 . 2184 . 1 1 8 LEU HB2 H -4.425 7.250 -3.765 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2185 . 1 1 8 LEU HB3 H -6.080 7.414 -4.346 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 14 . 2186 . 1 1 8 LEU HD11 H -5.901 4.932 -3.814 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 14 . 2187 . 1 1 8 LEU HD12 H -4.146 4.767 -3.810 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 14 . 2188 . 1 1 8 LEU HD13 H -5.111 3.888 -4.995 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 14 . 2189 . 1 1 8 LEU HD21 H -6.704 5.140 -6.211 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 14 . 2190 . 1 1 8 LEU HD22 H -5.494 5.582 -7.416 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 14 . 2191 . 1 1 8 LEU HD23 H -6.445 6.837 -6.619 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 14 . 2192 . 1 1 8 LEU HG H -3.939 5.934 -5.862 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 14 . 2193 . 1 1 8 LEU N N -3.198 8.699 -5.451 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 14 . 2194 . 1 1 8 LEU O O -6.387 10.206 -5.202 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 14 . 2195 . 1 1 9 LEU C C -4.297 12.772 -3.441 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 14 . 2196 . 1 1 9 LEU CA C -5.145 11.546 -3.118 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 14 . 2197 . 1 1 9 LEU CB C -5.173 11.314 -1.606 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 14 . 2198 . 1 1 9 LEU CD1 C -5.685 9.854 0.366 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2199 . 1 1 9 LEU CD2 C -6.883 9.492 -1.800 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 14 . 2200 . 1 1 9 LEU CG C -5.572 9.911 -1.150 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 14 . 2201 . 1 1 9 LEU H H -3.774 9.986 -3.521 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 14 . 2202 . 1 1 9 LEU HA H -6.153 11.719 -3.466 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 14 . 2203 . 1 1 9 LEU HB2 H -4.184 11.517 -1.223 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2204 . 1 1 9 LEU HB3 H -5.874 12.015 -1.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 14 . 2205 . 1 1 9 LEU HD11 H -4.774 10.226 0.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 14 . 2206 . 1 1 9 LEU HD12 H -5.847 8.833 0.677 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 14 . 2207 . 1 1 9 LEU HD13 H -6.517 10.464 0.688 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 14 . 2208 . 1 1 9 LEU HD21 H -7.362 10.357 -2.234 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 14 . 2209 . 1 1 9 LEU HD22 H -7.532 9.058 -1.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 14 . 2210 . 1 1 9 LEU HD23 H -6.685 8.764 -2.573 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 14 . 2211 . 1 1 9 LEU HG H -4.808 9.209 -1.453 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 14 . 2212 . 1 1 9 LEU N N -4.633 10.364 -3.801 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 14 . 2213 . 1 1 9 LEU O O -4.248 13.758 -2.741 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 14 . 2214 . 1 1 10 ABA C C -3.504 15.112 -5.101 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 14 . 2215 . 1 1 10 ABA CA C -2.700 13.831 -5.040 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 14 . 2216 . 1 1 10 ABA H H -3.654 11.824 -5.165 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 14 . 2217 . 1 1 10 ABA N N -3.560 12.714 -4.608 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 14 . 2218 . 1 1 10 ABA O O -3.132 16.055 -4.402 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 14 . 2219 . 1 1 11 PRO C C -6.193 16.687 -4.747 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 14 . 2220 . 1 1 11 PRO CA C -5.389 16.411 -6.013 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 14 . 2221 . 1 1 11 PRO CB C -6.326 16.106 -7.185 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 14 . 2222 . 1 1 11 PRO CD C -5.076 14.112 -6.765 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 14 . 2223 . 1 1 11 PRO CG C -6.416 14.619 -7.221 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 14 . 2224 . 1 1 11 PRO HA H -4.784 17.274 -6.249 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 14 . 2225 . 1 1 11 PRO HB2 H -7.291 16.557 -7.005 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2226 . 1 1 11 PRO HB3 H -5.904 16.497 -8.099 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 14 . 2227 . 1 1 11 PRO HD2 H -5.191 13.196 -6.204 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 14 . 2228 . 1 1 11 PRO HD3 H -4.423 13.959 -7.611 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 14 . 2229 . 1 1 11 PRO HG2 H -7.193 14.283 -6.551 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 14 . 2230 . 1 1 11 PRO HG3 H -6.619 14.288 -8.229 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 14 . 2231 . 1 1 11 PRO N N -4.576 15.196 -5.904 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 14 . 2232 . 1 1 11 PRO O O -6.477 17.797 -4.359 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 14 . 2233 . 1 1 12 DCL C C -6.434 15.952 -1.623 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 14 . 2234 . 1 1 12 DCL CA C -7.383 15.680 -2.788 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 14 . 2235 . 1 1 12 DCL CB C -8.137 14.365 -2.540 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 14 . 2236 . 1 1 12 DCL CD1 C -10.169 15.135 -3.769 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 14 . 2237 . 1 1 12 DCL CD2 C -10.005 15.565 -1.325 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 14 . 2238 . 1 1 12 DCL CG C -9.654 14.578 -2.440 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 14 . 2239 . 1 1 12 DCL HA H -8.119 16.511 -2.872 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 14 . 2240 . 1 1 12 DCL HB1 H -7.928 13.668 -3.381 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 14 . 2241 . 1 1 12 DCL HB2 H -7.775 13.917 -1.590 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 14 . 2242 . 1 1 12 DCL HC1 H -5.710 15.119 -1.497 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 14 . 2243 . 1 1 12 DCL HC2 H -5.881 16.904 -1.774 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 14 . 2244 . 1 1 12 DCL HD11 H -9.634 14.643 -4.609 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 14 . 2245 . 1 1 12 DCL HD12 H -11.259 14.937 -3.855 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 14 . 2246 . 1 1 12 DCL HD13 H -9.987 16.232 -3.806 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 14 . 2247 . 1 1 12 DCL HD21 H -9.715 16.592 -1.634 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 14 . 2248 . 1 1 12 DCL HD22 H -11.099 15.531 -1.133 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 14 . 2249 . 1 1 12 DCL HD23 H -9.456 15.288 -0.399 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 14 . 2250 . 1 1 12 DCL HG H -10.133 13.603 -2.211 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 14 . 2251 . 1 1 12 DCL HN1 H -6.314 14.651 -4.437 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 14 . 2252 . 1 1 12 DCL HXT H -7.141 16.921 0.121 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 14 . 2253 . 1 1 12 DCL N N -6.602 15.580 -4.032 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 14 . 2254 . 1 1 12 DCL OXT O -7.183 16.067 -0.422 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 15 . 2255 . 1 1 1 ACE C C 0.698 2.025 0.232 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 15 . 2256 . 1 1 1 ACE CH3 C 0.975 0.567 0.357 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 15 . 2257 . 1 1 1 ACE H1 H 2.024 0.375 0.132 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 15 . 2258 . 1 1 1 ACE H2 H 0.756 0.242 1.374 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 15 . 2259 . 1 1 1 ACE H3 H 0.347 0.016 -0.344 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 15 . 2260 . 1 1 1 ACE O O -0.065 2.520 -0.567 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 15 . 2261 . 1 1 2 ABA C C 1.710 4.876 -0.191 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 15 . 2262 . 1 1 2 ABA CA C 1.231 4.295 1.123 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 15 . 2263 . 1 1 2 ABA H H 2.037 2.328 1.782 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 15 . 2264 . 1 1 2 ABA N N 1.391 2.830 1.116 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 15 . 2265 . 1 1 2 ABA O O 1.466 6.064 -0.396 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 15 . 2266 . 1 1 3 ASN C C 1.724 4.716 -3.351 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 15 . 2267 . 1 1 3 ASN CA C 2.852 4.640 -2.327 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 15 . 2268 . 1 1 3 ASN CB C 3.987 3.766 -2.867 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 15 . 2269 . 1 1 3 ASN CG C 5.273 3.939 -2.082 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 15 . 2270 . 1 1 3 ASN H H 2.532 3.171 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 15 . 2271 . 1 1 3 ASN HA H 3.230 5.636 -2.150 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 15 . 2272 . 1 1 3 ASN HB2 H 3.691 2.729 -2.812 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2273 . 1 1 3 ASN HB3 H 4.177 4.029 -3.897 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 15 . 2274 . 1 1 3 ASN HD21 H 5.687 2.005 -2.288 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 15 . 2275 . 1 1 3 ASN HD22 H 6.845 2.930 -1.402 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 15 . 2276 . 1 1 3 ASN N N 2.368 4.112 -1.057 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 15 . 2277 . 1 1 3 ASN ND2 N 6.009 2.848 -1.906 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 15 . 2278 . 1 1 3 ASN O O 1.820 5.439 -4.343 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 15 . 2279 . 1 1 3 ASN OD1 O 5.600 5.040 -1.638 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2280 . 1 1 4 ILE C C -1.492 5.043 -3.636 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 15 . 2281 . 1 1 4 ILE CA C -0.492 3.951 -4.001 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 15 . 2282 . 1 1 4 ILE CB C -1.208 2.587 -3.977 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 15 . 2283 . 1 1 4 ILE CD1 C -0.858 0.092 -4.336 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2284 . 1 1 4 ILE CG1 C -0.242 1.472 -4.383 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 15 . 2285 . 1 1 4 ILE CG2 C -2.419 2.608 -4.897 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 15 . 2286 . 1 1 4 ILE H H 0.638 3.411 -2.295 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 15 . 2287 . 1 1 4 ILE HA H -0.132 4.128 -5.004 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 15 . 2288 . 1 1 4 ILE HB H -1.553 2.405 -2.971 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 15 . 2289 . 1 1 4 ILE HD11 H -1.613 0.060 -3.564 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 15 . 2290 . 1 1 4 ILE HD12 H -1.308 -0.135 -5.291 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 15 . 2291 . 1 1 4 ILE HD13 H -0.091 -0.638 -4.119 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 15 . 2292 . 1 1 4 ILE HG12 H 0.098 1.649 -5.392 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 15 . 2293 . 1 1 4 ILE HG13 H 0.607 1.480 -3.715 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 15 . 2294 . 1 1 4 ILE HG21 H -3.318 2.490 -4.311 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 15 . 2295 . 1 1 4 ILE HG22 H -2.454 3.550 -5.423 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 15 . 2296 . 1 1 4 ILE HG23 H -2.345 1.799 -5.609 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 15 . 2297 . 1 1 4 ILE N N 0.655 3.966 -3.102 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 15 . 2298 . 1 1 4 ILE O O -2.129 5.632 -4.509 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 15 . 2299 . 1 1 5 ILE C C -2.027 7.731 -2.188 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 15 . 2300 . 1 1 5 ILE CA C -2.541 6.333 -1.860 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 15 . 2301 . 1 1 5 ILE CB C -2.762 6.223 -0.340 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 15 . 2302 . 1 1 5 ILE CD1 C -4.675 4.565 -0.609 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2303 . 1 1 5 ILE CG1 C -3.327 4.846 0.017 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 15 . 2304 . 1 1 5 ILE CG2 C -3.694 7.325 0.141 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 15 . 2305 . 1 1 5 ILE H H -1.086 4.805 -1.693 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 15 . 2306 . 1 1 5 ILE HA H -3.491 6.185 -2.354 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 15 . 2307 . 1 1 5 ILE HB H -1.809 6.351 0.150 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 15 . 2308 . 1 1 5 ILE HD11 H -5.038 3.607 -0.269 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 15 . 2309 . 1 1 5 ILE HD12 H -5.373 5.338 -0.324 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 15 . 2310 . 1 1 5 ILE HD13 H -4.576 4.550 -1.685 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 15 . 2311 . 1 1 5 ILE HG12 H -2.641 4.085 -0.318 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 15 . 2312 . 1 1 5 ILE HG13 H -3.438 4.778 1.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 15 . 2313 . 1 1 5 ILE HG21 H -3.134 8.041 0.724 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 15 . 2314 . 1 1 5 ILE HG22 H -4.134 7.821 -0.711 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 15 . 2315 . 1 1 5 ILE HG23 H -4.475 6.896 0.751 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 15 . 2316 . 1 1 5 ILE N N -1.622 5.309 -2.341 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 15 . 2317 . 1 1 5 ILE O O -2.745 8.658 -2.487 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 15 . 2318 . 1 1 6 ABA C C -0.569 9.762 -3.727 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 15 . 2319 . 1 1 6 ABA CA C -0.028 9.206 -2.426 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 15 . 2320 . 1 1 6 ABA H H -0.098 7.053 -1.864 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 15 . 2321 . 1 1 6 ABA N N -0.658 7.906 -2.131 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 15 . 2322 . 1 1 6 ABA O O -1.123 10.861 -3.693 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 15 . 2323 . 1 1 7 PRO C C -2.450 9.559 -6.228 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 15 . 2324 . 1 1 7 PRO CA C -0.927 9.553 -6.156 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 15 . 2325 . 1 1 7 PRO CB C -0.347 8.553 -7.159 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 15 . 2326 . 1 1 7 PRO CD C 0.217 7.749 -4.980 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 15 . 2327 . 1 1 7 PRO CG C -0.138 7.305 -6.372 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 15 . 2328 . 1 1 7 PRO HA H -0.553 10.543 -6.375 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 15 . 2329 . 1 1 7 PRO HB2 H -1.051 8.399 -7.965 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2330 . 1 1 7 PRO HB3 H 0.584 8.931 -7.553 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 15 . 2331 . 1 1 7 PRO HD2 H -0.181 7.058 -4.251 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 15 . 2332 . 1 1 7 PRO HD3 H 1.288 7.837 -4.873 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 15 . 2333 . 1 1 7 PRO HG2 H -1.047 6.722 -6.360 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 15 . 2334 . 1 1 7 PRO HG3 H 0.671 6.733 -6.800 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 15 . 2335 . 1 1 7 PRO N N -0.432 9.066 -4.865 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 15 . 2336 . 1 1 7 PRO O O -3.044 10.357 -6.954 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 15 . 2337 . 1 1 8 LEU C C -5.148 9.773 -4.748 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 15 . 2338 . 1 1 8 LEU CA C -4.532 8.567 -5.450 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 15 . 2339 . 1 1 8 LEU CB C -4.966 7.278 -4.750 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 15 . 2340 . 1 1 8 LEU CD1 C -4.895 4.774 -4.645 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2341 . 1 1 8 LEU CD2 C -5.849 5.912 -6.658 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 15 . 2342 . 1 1 8 LEU CG C -4.802 5.989 -5.555 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 15 . 2343 . 1 1 8 LEU H H -2.549 8.055 -4.915 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 15 . 2344 . 1 1 8 LEU HA H -4.878 8.545 -6.473 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 15 . 2345 . 1 1 8 LEU HB2 H -4.382 7.180 -3.847 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2346 . 1 1 8 LEU HB3 H -6.010 7.378 -4.492 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 15 . 2347 . 1 1 8 LEU HD11 H -4.663 3.883 -5.208 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 15 . 2348 . 1 1 8 LEU HD12 H -5.897 4.698 -4.248 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 15 . 2349 . 1 1 8 LEU HD13 H -4.193 4.881 -3.831 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 15 . 2350 . 1 1 8 LEU HD21 H -5.357 5.841 -7.616 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 15 . 2351 . 1 1 8 LEU HD22 H -6.462 6.802 -6.633 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 15 . 2352 . 1 1 8 LEU HD23 H -6.469 5.042 -6.505 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 15 . 2353 . 1 1 8 LEU HG H -3.826 5.983 -6.020 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 15 . 2354 . 1 1 8 LEU N N -3.077 8.665 -5.472 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 15 . 2355 . 1 1 8 LEU O O -6.292 10.144 -5.016 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 15 . 2356 . 1 1 9 LEU C C -4.103 12.805 -3.540 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 15 . 2357 . 1 1 9 LEU CA C -4.853 11.548 -3.109 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 15 . 2358 . 1 1 9 LEU CB C -4.679 11.327 -1.605 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 15 . 2359 . 1 1 9 LEU CD1 C -6.386 11.766 0.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2360 . 1 1 9 LEU CD2 C -4.236 13.045 0.166 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 15 . 2361 . 1 1 9 LEU CG C -5.304 12.384 -0.695 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 15 . 2362 . 1 1 9 LEU H H -3.481 10.040 -3.678 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 15 . 2363 . 1 1 9 LEU HA H -5.902 11.678 -3.326 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 15 . 2364 . 1 1 9 LEU HB2 H -5.121 10.374 -1.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2365 . 1 1 9 LEU HB3 H -3.619 11.294 -1.397 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 15 . 2366 . 1 1 9 LEU HD11 H -7.060 11.191 -0.440 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 15 . 2367 . 1 1 9 LEU HD12 H -6.936 12.549 0.677 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 15 . 2368 . 1 1 9 LEU HD13 H -5.930 11.120 0.913 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 15 . 2369 . 1 1 9 LEU HD21 H -3.783 13.857 -0.384 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 15 . 2370 . 1 1 9 LEU HD22 H -3.480 12.318 0.423 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 15 . 2371 . 1 1 9 LEU HD23 H -4.689 13.429 1.068 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 15 . 2372 . 1 1 9 LEU HG H -5.764 13.149 -1.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 15 . 2373 . 1 1 9 LEU N N -4.383 10.382 -3.849 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 15 . 2374 . 1 1 9 LEU O O -4.005 13.797 -2.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 15 . 2375 . 1 1 10 ABA C C -3.646 15.145 -5.363 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 15 . 2376 . 1 1 10 ABA CA C -2.765 13.914 -5.331 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 15 . 2377 . 1 1 10 ABA H H -3.644 11.869 -5.329 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 15 . 2378 . 1 1 10 ABA N N -3.517 12.766 -4.791 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 15 . 2379 . 1 1 10 ABA O O -3.273 16.132 -4.729 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 15 . 2380 . 1 1 11 PRO C C -6.384 16.577 -4.826 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 15 . 2381 . 1 1 11 PRO CA C -5.676 16.300 -6.148 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 15 . 2382 . 1 1 11 PRO CB C -6.689 15.900 -7.223 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 15 . 2383 . 1 1 11 PRO CD C -5.292 13.997 -6.850 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 15 . 2384 . 1 1 11 PRO CG C -6.694 14.411 -7.204 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 15 . 2385 . 1 1 11 PRO HA H -5.145 17.187 -6.463 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 15 . 2386 . 1 1 11 PRO HB2 H -7.661 16.303 -6.974 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2387 . 1 1 11 PRO HB3 H -6.371 16.281 -8.182 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 15 . 2388 . 1 1 11 PRO HD2 H -5.304 13.097 -6.253 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 15 . 2389 . 1 1 11 PRO HD3 H -4.705 13.850 -7.745 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 15 . 2390 . 1 1 11 PRO HG2 H -7.389 14.056 -6.459 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 15 . 2391 . 1 1 11 PRO HG3 H -6.961 14.032 -8.179 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 15 . 2392 . 1 1 11 PRO N N -4.785 15.139 -6.071 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 15 . 2393 . 1 1 11 PRO O O -6.554 17.686 -4.373 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 15 . 2394 . 1 1 12 DCL C C -6.543 15.984 -1.766 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 15 . 2395 . 1 1 12 DCL CA C -7.542 15.572 -2.846 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 15 . 2396 . 1 1 12 DCL CB C -8.161 14.214 -2.483 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 15 . 2397 . 1 1 12 DCL CD1 C -10.188 14.398 -1.039 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 15 . 2398 . 1 1 12 DCL CD2 C -10.292 12.989 -3.085 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 15 . 2399 . 1 1 12 DCL CG C -9.695 14.261 -2.481 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 15 . 2400 . 1 1 12 DCL HA H -8.351 16.335 -2.916 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 15 . 2401 . 1 1 12 DCL HB1 H -7.826 13.458 -3.226 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 15 . 2402 . 1 1 12 DCL HB2 H -7.809 13.919 -1.471 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 15 . 2403 . 1 1 12 DCL HC1 H -5.681 15.283 -1.734 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 15 . 2404 . 1 1 12 DCL HC2 H -6.174 17.018 -1.939 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 15 . 2405 . 1 1 12 DCL HD11 H -10.184 13.401 -0.549 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 15 . 2406 . 1 1 12 DCL HD12 H -9.517 15.088 -0.482 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 15 . 2407 . 1 1 12 DCL HD13 H -11.223 14.806 -1.039 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 15 . 2408 . 1 1 12 DCL HD21 H -11.317 12.834 -2.684 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 15 . 2409 . 1 1 12 DCL HD22 H -10.340 13.092 -4.191 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 15 . 2410 . 1 1 12 DCL HD23 H -9.655 12.118 -2.820 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 15 . 2411 . 1 1 12 DCL HG H -10.022 15.128 -3.092 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 15 . 2412 . 1 1 12 DCL HN1 H -6.653 14.544 -4.599 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 15 . 2413 . 1 1 12 DCL HXT H -7.230 16.793 0.065 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 15 . 2414 . 1 1 12 DCL N N -6.841 15.472 -4.137 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 15 . 2415 . 1 1 12 DCL OXT O -7.180 15.953 -0.498 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 16 . 2416 . 1 1 1 ACE C C -0.220 1.735 1.612 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 16 . 2417 . 1 1 1 ACE CH3 C -0.775 0.424 1.173 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 16 . 2418 . 1 1 1 ACE H1 H -1.417 0.573 0.305 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 16 . 2419 . 1 1 1 ACE H2 H 0.043 -0.246 0.909 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 16 . 2420 . 1 1 1 ACE H3 H -1.356 -0.014 1.984 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 16 . 2421 . 1 1 1 ACE O O -0.229 2.145 2.750 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 16 . 2422 . 1 1 2 ABA C C 1.465 4.423 -0.411 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 16 . 2423 . 1 1 2 ABA CA C 0.927 3.825 0.872 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 16 . 2424 . 1 1 2 ABA H H 0.306 2.079 -0.361 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 16 . 2425 . 1 1 2 ABA N N 0.335 2.502 0.604 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 16 . 2426 . 1 1 2 ABA O O 1.477 5.650 -0.492 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 16 . 2427 . 1 1 3 ASN C C 1.310 4.584 -3.569 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 16 . 2428 . 1 1 3 ASN CA C 2.438 4.170 -2.628 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 16 . 2429 . 1 1 3 ASN CB C 3.336 3.137 -3.313 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 16 . 2430 . 1 1 3 ASN CG C 4.658 2.953 -2.593 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 16 . 2431 . 1 1 3 ASN H H 1.869 2.658 -1.260 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 16 . 2432 . 1 1 3 ASN HA H 3.027 5.041 -2.385 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 16 . 2433 . 1 1 3 ASN HB2 H 2.825 2.186 -3.337 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2434 . 1 1 3 ASN HB3 H 3.538 3.459 -4.324 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 16 . 2435 . 1 1 3 ASN HD21 H 4.836 1.119 -3.341 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 16 . 2436 . 1 1 3 ASN HD22 H 6.123 1.639 -2.312 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 16 . 2437 . 1 1 3 ASN N N 1.904 3.630 -1.383 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 16 . 2438 . 1 1 3 ASN ND2 N 5.267 1.786 -2.767 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 16 . 2439 . 1 1 3 ASN O O 1.519 5.367 -4.497 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 16 . 2440 . 1 1 3 ASN OD1 O 5.125 3.849 -1.890 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2441 . 1 1 4 ILE C C -1.788 5.585 -3.605 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 16 . 2442 . 1 1 4 ILE CA C -1.043 4.370 -4.146 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 16 . 2443 . 1 1 4 ILE CB C -2.017 3.179 -4.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 16 . 2444 . 1 1 4 ILE CD1 C -2.190 0.725 -4.877 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2445 . 1 1 4 ILE CG1 C -1.309 1.952 -4.805 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 16 . 2446 . 1 1 4 ILE CG2 C -3.230 3.544 -5.070 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 16 . 2447 . 1 1 4 ILE H H 0.014 3.437 -2.569 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 16 . 2448 . 1 1 4 ILE HA H -0.693 4.591 -5.144 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 16 . 2449 . 1 1 4 ILE HB H -2.357 2.953 -3.229 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 16 . 2450 . 1 1 4 ILE HD11 H -2.721 0.716 -5.818 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 16 . 2451 . 1 1 4 ILE HD12 H -1.580 -0.162 -4.799 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 16 . 2452 . 1 1 4 ILE HD13 H -2.902 0.745 -4.064 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 16 . 2453 . 1 1 4 ILE HG12 H -0.971 2.176 -5.804 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 16 . 2454 . 1 1 4 ILE HG13 H -0.456 1.713 -4.186 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 16 . 2455 . 1 1 4 ILE HG21 H -3.337 2.830 -5.874 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 16 . 2456 . 1 1 4 ILE HG22 H -4.115 3.524 -4.453 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 16 . 2457 . 1 1 4 ILE HG23 H -3.099 4.533 -5.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 16 . 2458 . 1 1 4 ILE N N 0.117 4.054 -3.323 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 16 . 2459 . 1 1 4 ILE O O -2.325 6.388 -4.368 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 16 . 2460 . 1 1 5 ILE C C -1.714 8.132 -1.836 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 16 . 2461 . 1 1 5 ILE CA C -2.490 6.834 -1.638 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 16 . 2462 . 1 1 5 ILE CB C -2.678 6.586 -0.130 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 16 . 2463 . 1 1 5 ILE CD1 C -3.698 4.985 1.565 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2464 . 1 1 5 ILE CG1 C -3.470 5.298 0.102 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 16 . 2465 . 1 1 5 ILE CG2 C -3.379 7.771 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 16 . 2466 . 1 1 5 ILE H H -1.367 5.043 -1.727 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 16 . 2467 . 1 1 5 ILE HA H -3.466 6.938 -2.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 16 . 2468 . 1 1 5 ILE HB H -1.702 6.487 0.320 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 16 . 2469 . 1 1 5 ILE HD11 H -3.288 4.012 1.793 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 16 . 2470 . 1 1 5 ILE HD12 H -3.213 5.733 2.174 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 16 . 2471 . 1 1 5 ILE HD13 H -4.759 4.985 1.771 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 16 . 2472 . 1 1 5 ILE HG12 H -4.435 5.386 -0.372 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 16 . 2473 . 1 1 5 ILE HG13 H -2.932 4.470 -0.335 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 16 . 2474 . 1 1 5 ILE HG21 H -4.304 7.439 0.966 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 16 . 2475 . 1 1 5 ILE HG22 H -2.742 8.193 1.280 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 16 . 2476 . 1 1 5 ILE HG23 H -3.590 8.519 -0.231 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 16 . 2477 . 1 1 5 ILE N N -1.814 5.715 -2.282 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 16 . 2478 . 1 1 5 ILE O O -2.238 9.214 -1.978 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 16 . 2479 . 1 1 6 ABA C C 0.084 9.993 -3.243 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 16 . 2480 . 1 1 6 ABA CA C 0.533 9.199 -2.035 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 16 . 2481 . 1 1 6 ABA H H 0.047 7.050 -1.720 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 16 . 2482 . 1 1 6 ABA N N -0.337 8.023 -1.850 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 16 . 2483 . 1 1 6 ABA O O -0.237 11.169 -3.069 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 16 . 2484 . 1 1 7 PRO C C -1.855 10.446 -5.666 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 16 . 2485 . 1 1 7 PRO CA C -0.363 10.133 -5.663 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 16 . 2486 . 1 1 7 PRO CB C -0.018 9.158 -6.791 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 16 . 2487 . 1 1 7 PRO CD C 0.424 8.019 -4.736 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 16 . 2488 . 1 1 7 PRO CG C -0.045 7.813 -6.150 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 16 . 2489 . 1 1 7 PRO HA H 0.196 11.049 -5.793 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 16 . 2490 . 1 1 7 PRO HB2 H -0.756 9.237 -7.576 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2491 . 1 1 7 PRO HB3 H 0.961 9.388 -7.184 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 16 . 2492 . 1 1 7 PRO HD2 H -0.087 7.342 -4.067 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 16 . 2493 . 1 1 7 PRO HD3 H 1.493 7.883 -4.669 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 16 . 2494 . 1 1 7 PRO HG2 H -1.051 7.422 -6.159 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 16 . 2495 . 1 1 7 PRO HG3 H 0.624 7.145 -6.672 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 16 . 2496 . 1 1 7 PRO N N 0.054 9.416 -4.454 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 16 . 2497 . 1 1 7 PRO O O -2.273 11.527 -6.082 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 16 . 2498 . 1 1 8 LEU C C -4.483 10.779 -4.176 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 16 . 2499 . 1 1 8 LEU CA C -4.102 9.667 -5.148 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 16 . 2500 . 1 1 8 LEU CB C -4.779 8.358 -4.734 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 16 . 2501 . 1 1 8 LEU CD1 C -5.327 5.954 -5.182 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2502 . 1 1 8 LEU CD2 C -5.529 7.642 -7.017 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 16 . 2503 . 1 1 8 LEU CG C -4.756 7.235 -5.771 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 16 . 2504 . 1 1 8 LEU H H -2.264 8.653 -4.882 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 16 . 2505 . 1 1 8 LEU HA H -4.439 9.939 -6.137 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 16 . 2506 . 1 1 8 LEU HB2 H -4.285 7.998 -3.845 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2507 . 1 1 8 LEU HB3 H -5.812 8.579 -4.506 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 16 . 2508 . 1 1 8 LEU HD11 H -5.227 5.153 -5.899 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 16 . 2509 . 1 1 8 LEU HD12 H -6.371 6.100 -4.949 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 16 . 2510 . 1 1 8 LEU HD13 H -4.789 5.701 -4.281 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 16 . 2511 . 1 1 8 LEU HD21 H -5.751 6.764 -7.606 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 16 . 2512 . 1 1 8 LEU HD22 H -4.933 8.327 -7.602 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 16 . 2513 . 1 1 8 LEU HD23 H -6.451 8.124 -6.726 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 16 . 2514 . 1 1 8 LEU HG H -3.732 7.041 -6.060 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 16 . 2515 . 1 1 8 LEU N N -2.655 9.493 -5.199 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 16 . 2516 . 1 1 8 LEU O O -5.615 11.266 -4.185 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 16 . 2517 . 1 1 9 LEU C C -3.902 13.590 -3.047 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 16 . 2518 . 1 1 9 LEU CA C -3.766 12.234 -2.361 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 16 . 2519 . 1 1 9 LEU CB C -2.625 12.277 -1.344 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 16 . 2520 . 1 1 9 LEU CD1 C -2.274 14.679 -0.719 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2521 . 1 1 9 LEU CD2 C -4.193 13.404 0.255 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 16 . 2522 . 1 1 9 LEU CG C -2.754 13.320 -0.233 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 16 . 2523 . 1 1 9 LEU H H -2.650 10.752 -3.379 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 16 . 2524 . 1 1 9 LEU HA H -4.688 12.010 -1.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 16 . 2525 . 1 1 9 LEU HB2 H -2.560 11.305 -0.878 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2526 . 1 1 9 LEU HB3 H -1.709 12.477 -1.882 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 16 . 2527 . 1 1 9 LEU HD11 H -1.504 14.544 -1.463 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 16 . 2528 . 1 1 9 LEU HD12 H -1.876 15.239 0.114 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 16 . 2529 . 1 1 9 LEU HD13 H -3.103 15.219 -1.152 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 16 . 2530 . 1 1 9 LEU HD21 H -4.744 14.094 -0.367 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 16 . 2531 . 1 1 9 LEU HD22 H -4.206 13.752 1.278 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 16 . 2532 . 1 1 9 LEU HD23 H -4.649 12.426 0.201 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 16 . 2533 . 1 1 9 LEU HG H -2.133 13.027 0.602 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 16 . 2534 . 1 1 9 LEU N N -3.531 11.177 -3.339 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 16 . 2535 . 1 1 9 LEU O O -4.700 14.435 -2.712 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 16 . 2536 . 1 1 10 ABA C C -4.491 15.407 -5.297 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 16 . 2537 . 1 1 10 ABA CA C -3.076 15.094 -4.860 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 16 . 2538 . 1 1 10 ABA H H -2.381 13.044 -4.341 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 16 . 2539 . 1 1 10 ABA N N -3.048 13.826 -4.107 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 16 . 2540 . 1 1 10 ABA O O -4.986 16.467 -4.914 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 16 . 2541 . 1 1 11 PRO C C -7.547 14.712 -5.416 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 16 . 2542 . 1 1 11 PRO CA C -6.527 14.799 -6.546 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 16 . 2543 . 1 1 11 PRO CB C -6.764 13.685 -7.568 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 16 . 2544 . 1 1 11 PRO CD C -4.630 13.266 -6.577 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 16 . 2545 . 1 1 11 PRO CG C -5.841 12.590 -7.156 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 16 . 2546 . 1 1 11 PRO HA H -6.611 15.760 -7.032 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 16 . 2547 . 1 1 11 PRO HB2 H -7.797 13.369 -7.525 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2548 . 1 1 11 PRO HB3 H -6.533 14.045 -8.559 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 16 . 2549 . 1 1 11 PRO HD2 H -4.222 12.680 -5.767 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 16 . 2550 . 1 1 11 PRO HD3 H -3.885 13.427 -7.342 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 16 . 2551 . 1 1 11 PRO HG2 H -6.317 11.969 -6.412 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 16 . 2552 . 1 1 11 PRO HG3 H -5.565 12.001 -8.018 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 16 . 2553 . 1 1 11 PRO N N -5.159 14.549 -6.082 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 16 . 2554 . 1 1 11 PRO O O -8.471 15.482 -5.283 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 16 . 2555 . 1 1 12 DCL C C -7.492 13.700 -2.072 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 16 . 2556 . 1 1 12 DCL CA C -8.269 13.467 -3.367 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 16 . 2557 . 1 1 12 DCL CB C -8.806 12.029 -3.392 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 16 . 2558 . 1 1 12 DCL CD1 C -10.371 10.910 -1.801 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 16 . 2559 . 1 1 12 DCL CD2 C -11.198 11.540 -4.060 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 16 . 2560 . 1 1 12 DCL CG C -10.265 11.949 -2.920 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 16 . 2561 . 1 1 12 DCL HA H -9.125 14.177 -3.421 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 16 . 2562 . 1 1 12 DCL HB1 H -8.745 11.642 -4.433 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 16 . 2563 . 1 1 12 DCL HB2 H -8.178 11.399 -2.726 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 16 . 2564 . 1 1 12 DCL HC1 H -6.667 12.963 -1.966 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 16 . 2565 . 1 1 12 DCL HC2 H -7.075 14.730 -2.038 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 16 . 2566 . 1 1 12 DCL HD11 H -11.390 10.468 -1.801 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 16 . 2567 . 1 1 12 DCL HD12 H -9.618 10.109 -1.967 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 16 . 2568 . 1 1 12 DCL HD13 H -10.181 11.401 -0.821 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 16 . 2569 . 1 1 12 DCL HD21 H -10.639 10.920 -4.793 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 16 . 2570 . 1 1 12 DCL HD22 H -12.047 10.950 -3.649 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 16 . 2571 . 1 1 12 DCL HD23 H -11.588 12.449 -4.565 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 16 . 2572 . 1 1 12 DCL HG H -10.572 12.952 -2.555 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 16 . 2573 . 1 1 12 DCL HN1 H -6.542 13.059 -4.699 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 16 . 2574 . 1 1 12 DCL HXT H -8.506 14.310 -0.318 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 16 . 2575 . 1 1 12 DCL N N -7.370 13.684 -4.513 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 16 . 2576 . 1 1 12 DCL OXT O -8.365 13.543 -0.964 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 17 . 2577 . 1 1 1 ACE C C -1.760 1.901 1.315 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 17 . 2578 . 1 1 1 ACE CH3 C -3.042 1.487 0.679 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 17 . 2579 . 1 1 1 ACE H1 H -3.810 1.382 1.445 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 17 . 2580 . 1 1 1 ACE H2 H -3.351 2.242 -0.044 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 17 . 2581 . 1 1 1 ACE H3 H -2.904 0.532 0.171 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 17 . 2582 . 1 1 1 ACE O O -1.415 1.606 2.436 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 17 . 2583 . 1 1 2 ABA C C 1.037 3.996 -0.078 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 17 . 2584 . 1 1 2 ABA CA C 0.364 3.174 1.001 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 17 . 2585 . 1 1 2 ABA H H -1.307 2.897 -0.444 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 17 . 2586 . 1 1 2 ABA N N -0.940 2.680 0.521 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 17 . 2587 . 1 1 2 ABA O O 0.893 5.216 -0.020 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 17 . 2588 . 1 1 3 ASN C C 1.413 4.691 -3.087 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 17 . 2589 . 1 1 3 ASN CA C 2.421 4.157 -2.074 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 17 . 2590 . 1 1 3 ASN CB C 3.459 3.284 -2.783 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 17 . 2591 . 1 1 3 ASN CG C 4.830 3.383 -2.144 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 17 . 2592 . 1 1 3 ASN H H 1.830 2.420 -1.019 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 17 . 2593 . 1 1 3 ASN HA H 2.923 4.992 -1.609 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 17 . 2594 . 1 1 3 ASN HB2 H 3.139 2.253 -2.744 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2595 . 1 1 3 ASN HB3 H 3.538 3.594 -3.814 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 17 . 2596 . 1 1 3 ASN HD21 H 5.531 4.343 -3.738 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 17 . 2597 . 1 1 3 ASN HD22 H 6.667 4.072 -2.465 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 17 . 2598 . 1 1 3 ASN N N 1.751 3.397 -1.026 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 17 . 2599 . 1 1 3 ASN ND2 N 5.771 3.995 -2.854 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 17 . 2600 . 1 1 3 ASN O O 1.659 5.699 -3.751 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 17 . 2601 . 1 1 3 ASN OD1 O 5.041 2.915 -1.025 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2602 . 1 1 4 ILE C C -1.563 5.596 -3.582 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 17 . 2603 . 1 1 4 ILE CA C -0.768 4.416 -4.131 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 17 . 2604 . 1 1 4 ILE CB C -1.734 3.256 -4.434 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 17 . 2605 . 1 1 4 ILE CD1 C -1.274 0.761 -4.230 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2606 . 1 1 4 ILE CG1 C -0.963 2.046 -4.965 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 17 . 2607 . 1 1 4 ILE CG2 C -2.794 3.697 -5.433 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 17 . 2608 . 1 1 4 ILE H H 0.140 3.215 -2.644 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 17 . 2609 . 1 1 4 ILE HA H -0.294 4.714 -5.055 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 17 . 2610 . 1 1 4 ILE HB H -2.232 2.982 -3.516 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 17 . 2611 . 1 1 4 ILE HD11 H -2.257 0.827 -3.789 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 17 . 2612 . 1 1 4 ILE HD12 H -1.243 -0.066 -4.922 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 17 . 2613 . 1 1 4 ILE HD13 H -0.541 0.606 -3.451 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 17 . 2614 . 1 1 4 ILE HG12 H -1.207 1.900 -6.005 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 17 . 2615 . 1 1 4 ILE HG13 H 0.097 2.235 -4.871 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 17 . 2616 . 1 1 4 ILE HG21 H -2.510 4.646 -5.863 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 17 . 2617 . 1 1 4 ILE HG22 H -2.878 2.958 -6.216 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 17 . 2618 . 1 1 4 ILE HG23 H -3.743 3.799 -4.930 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 17 . 2619 . 1 1 4 ILE N N 0.278 4.009 -3.200 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 17 . 2620 . 1 1 4 ILE O O -2.200 6.333 -4.336 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 17 . 2621 . 1 1 5 ILE C C -1.548 8.199 -1.874 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 17 . 2622 . 1 1 5 ILE CA C -2.235 6.862 -1.616 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 17 . 2623 . 1 1 5 ILE CB C -2.345 6.638 -0.096 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 17 . 2624 . 1 1 5 ILE CD1 C -3.217 5.030 1.673 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2625 . 1 1 5 ILE CG1 C -3.062 5.319 0.196 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 17 . 2626 . 1 1 5 ILE CG2 C -3.075 7.801 0.559 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 17 . 2627 . 1 1 5 ILE H H -0.996 5.150 -1.718 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 17 . 2628 . 1 1 5 ILE HA H -3.234 6.898 -2.028 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 17 . 2629 . 1 1 5 ILE HB H -1.346 6.596 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 17 . 2630 . 1 1 5 ILE HD11 H -4.220 5.283 1.986 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 17 . 2631 . 1 1 5 ILE HD12 H -3.035 3.982 1.857 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 17 . 2632 . 1 1 5 ILE HD13 H -2.507 5.623 2.232 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 17 . 2633 . 1 1 5 ILE HG12 H -4.047 5.347 -0.241 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 17 . 2634 . 1 1 5 ILE HG13 H -2.500 4.507 -0.244 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 17 . 2635 . 1 1 5 ILE HG21 H -4.068 7.883 0.143 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 17 . 2636 . 1 1 5 ILE HG22 H -3.144 7.629 1.622 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 17 . 2637 . 1 1 5 ILE HG23 H -2.532 8.716 0.377 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 17 . 2638 . 1 1 5 ILE N N -1.521 5.770 -2.265 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 17 . 2639 . 1 1 5 ILE O O -2.141 9.242 -2.024 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 17 . 2640 . 1 1 6 ABA C C 0.093 10.119 -3.398 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 17 . 2641 . 1 1 6 ABA CA C 0.623 9.393 -2.179 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 17 . 2642 . 1 1 6 ABA H H 0.280 7.228 -1.794 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 17 . 2643 . 1 1 6 ABA N N -0.167 8.172 -1.934 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 17 . 2644 . 1 1 6 ABA O O -0.283 11.282 -3.253 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 17 . 2645 . 1 1 7 PRO C C -1.945 10.383 -5.766 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 17 . 2646 . 1 1 7 PRO CA C -0.439 10.148 -5.804 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 17 . 2647 . 1 1 7 PRO CB C -0.081 9.151 -6.909 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 17 . 2648 . 1 1 7 PRO CD C 0.486 8.111 -4.832 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 17 . 2649 . 1 1 7 PRO CG C -0.016 7.831 -6.221 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 17 . 2650 . 1 1 7 PRO HA H 0.066 11.085 -5.985 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 17 . 2651 . 1 1 7 PRO HB2 H -0.848 9.164 -7.670 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2652 . 1 1 7 PRO HB3 H 0.871 9.417 -7.343 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 17 . 2653 . 1 1 7 PRO HD2 H 0.034 7.434 -4.123 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 17 . 2654 . 1 1 7 PRO HD3 H 1.563 8.033 -4.798 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 17 . 2655 . 1 1 7 PRO HG2 H -1.000 7.389 -6.182 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 17 . 2656 . 1 1 7 PRO HG3 H 0.669 7.179 -6.743 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 17 . 2657 . 1 1 7 PRO N N 0.054 9.497 -4.586 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 17 . 2658 . 1 1 7 PRO O O -2.432 11.427 -6.203 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 17 . 2659 . 1 1 8 LEU C C -4.537 10.624 -4.188 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 17 . 2660 . 1 1 8 LEU CA C -4.131 9.509 -5.146 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 17 . 2661 . 1 1 8 LEU CB C -4.725 8.179 -4.679 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 17 . 2662 . 1 1 8 LEU CD1 C -5.377 5.800 -5.126 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2663 . 1 1 8 LEU CD2 C -5.478 7.489 -6.968 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 17 . 2664 . 1 1 8 LEU CG C -4.740 7.051 -5.712 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 17 . 2665 . 1 1 8 LEU H H -2.234 8.600 -4.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 17 . 2666 . 1 1 8 LEU HA H -4.512 9.739 -6.130 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 17 . 2667 . 1 1 8 LEU HB2 H -4.152 7.841 -3.829 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2668 . 1 1 8 LEU HB3 H -5.745 8.363 -4.373 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 17 . 2669 . 1 1 8 LEU HD11 H -6.408 6.003 -4.879 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 17 . 2670 . 1 1 8 LEU HD12 H -4.843 5.509 -4.234 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 17 . 2671 . 1 1 8 LEU HD13 H -5.330 5.000 -5.851 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 17 . 2672 . 1 1 8 LEU HD21 H -4.762 7.763 -7.729 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 17 . 2673 . 1 1 8 LEU HD22 H -6.104 8.340 -6.740 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 17 . 2674 . 1 1 8 LEU HD23 H -6.092 6.676 -7.327 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 17 . 2675 . 1 1 8 LEU HG H -3.723 6.810 -5.987 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 17 . 2676 . 1 1 8 LEU N N -2.679 9.408 -5.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 17 . 2677 . 1 1 8 LEU O O -5.693 11.052 -4.170 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 17 . 2678 . 1 1 9 LEU C C -4.068 13.491 -3.149 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 17 . 2679 . 1 1 9 LEU CA C -3.838 12.162 -2.436 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 17 . 2680 . 1 1 9 LEU CB C -2.668 12.290 -1.459 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 17 . 2681 . 1 1 9 LEU CD1 C -2.573 12.764 1.001 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2682 . 1 1 9 LEU CD2 C -1.847 14.511 -0.635 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 17 . 2683 . 1 1 9 LEU CG C -2.810 13.362 -0.377 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 17 . 2684 . 1 1 9 LEU H H -2.680 10.714 -3.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 17 . 2685 . 1 1 9 LEU HA H -4.730 11.905 -1.884 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 17 . 2686 . 1 1 9 LEU HB2 H -2.543 11.338 -0.967 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2687 . 1 1 9 LEU HB3 H -1.781 12.516 -2.034 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 17 . 2688 . 1 1 9 LEU HD11 H -3.479 12.292 1.349 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 17 . 2689 . 1 1 9 LEU HD12 H -2.287 13.546 1.688 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 17 . 2690 . 1 1 9 LEU HD13 H -1.783 12.030 0.943 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 17 . 2691 . 1 1 9 LEU HD21 H -0.873 14.259 -0.243 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 17 . 2692 . 1 1 9 LEU HD22 H -2.212 15.403 -0.146 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 17 . 2693 . 1 1 9 LEU HD23 H -1.773 14.688 -1.698 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 17 . 2694 . 1 1 9 LEU HG H -3.817 13.756 -0.400 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 17 . 2695 . 1 1 9 LEU N N -3.581 11.094 -3.395 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 17 . 2696 . 1 1 9 LEU O O -4.899 14.301 -2.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 17 . 2697 . 1 1 10 ABA C C -4.822 15.215 -5.424 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 17 . 2698 . 1 1 10 ABA CA C -3.380 14.989 -5.023 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 17 . 2699 . 1 1 10 ABA H H -2.560 12.992 -4.478 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 17 . 2700 . 1 1 10 ABA N N -3.261 13.744 -4.242 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 17 . 2701 . 1 1 10 ABA O O -5.362 16.257 -5.052 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 17 . 2702 . 1 1 11 PRO C C -7.838 14.356 -5.429 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 17 . 2703 . 1 1 11 PRO CA C -6.859 14.467 -6.592 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 17 . 2704 . 1 1 11 PRO CB C -7.067 13.315 -7.578 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 17 . 2705 . 1 1 11 PRO CD C -4.884 13.037 -6.645 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 17 . 2706 . 1 1 11 PRO CG C -6.074 12.282 -7.169 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 17 . 2707 . 1 1 11 PRO HA H -7.009 15.409 -7.099 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 17 . 2708 . 1 1 11 PRO HB2 H -8.080 12.946 -7.496 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2709 . 1 1 11 PRO HB3 H -6.885 13.661 -8.585 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 17 . 2710 . 1 1 11 PRO HD2 H -4.421 12.494 -5.834 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 17 . 2711 . 1 1 11 PRO HD3 H -4.172 13.216 -7.437 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 17 . 2712 . 1 1 11 PRO HG2 H -6.493 11.657 -6.396 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 17 . 2713 . 1 1 11 PRO HG3 H -5.792 11.686 -8.025 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 17 . 2714 . 1 1 11 PRO N N -5.466 14.302 -6.166 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 17 . 2715 . 1 1 11 PRO O O -8.826 15.045 -5.313 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 17 . 2716 . 1 1 12 DCL C C -7.633 13.620 -2.042 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 17 . 2717 . 1 1 12 DCL CA C -8.392 13.175 -3.291 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 17 . 2718 . 1 1 12 DCL CB C -8.738 11.683 -3.179 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 17 . 2719 . 1 1 12 DCL CD1 C -10.826 11.919 -4.526 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 17 . 2720 . 1 1 12 DCL CD2 C -10.948 12.197 -2.058 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 17 . 2721 . 1 1 12 DCL CG C -10.253 11.439 -3.191 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 17 . 2722 . 1 1 12 DCL HA H -9.334 13.762 -3.384 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 17 . 2723 . 1 1 12 DCL HB1 H -8.281 11.144 -4.038 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 17 . 2724 . 1 1 12 DCL HB2 H -8.318 11.288 -2.229 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 17 . 2725 . 1 1 12 DCL HC1 H -6.859 12.873 -1.760 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 17 . 2726 . 1 1 12 DCL HC2 H -7.152 14.609 -2.199 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 17 . 2727 . 1 1 12 DCL HD11 H -11.369 12.876 -4.374 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 17 . 2728 . 1 1 12 DCL HD12 H -9.997 12.072 -5.250 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 17 . 2729 . 1 1 12 DCL HD13 H -11.529 11.154 -4.922 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 17 . 2730 . 1 1 12 DCL HD21 H -10.299 12.190 -1.155 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 17 . 2731 . 1 1 12 DCL HD22 H -11.131 13.247 -2.373 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 17 . 2732 . 1 1 12 DCL HD23 H -11.915 11.705 -1.822 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 17 . 2733 . 1 1 12 DCL HG H -10.436 10.353 -3.051 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 17 . 2734 . 1 1 12 DCL HN1 H -6.668 12.846 -4.649 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 17 . 2735 . 1 1 12 DCL HXT H -8.649 14.629 -0.483 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 17 . 2736 . 1 1 12 DCL N N -7.546 13.404 -4.474 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 17 . 2737 . 1 1 12 DCL OXT O -8.541 13.740 -0.957 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 18 . 2738 . 1 1 1 ACE C C 0.845 1.791 2.755 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 18 . 2739 . 1 1 1 ACE CH3 C 1.966 1.451 3.676 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 18 . 2740 . 1 1 1 ACE H1 H 2.914 1.725 3.211 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 18 . 2741 . 1 1 1 ACE H2 H 1.848 2.000 4.610 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 18 . 2742 . 1 1 1 ACE H3 H 1.957 0.381 3.880 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 18 . 2743 . 1 1 1 ACE O O -0.300 1.426 2.894 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 18 . 2744 . 1 1 2 ABA C C 0.867 3.860 -0.387 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 18 . 2745 . 1 1 2 ABA CA C 0.200 3.010 0.675 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 18 . 2746 . 1 1 2 ABA H H 2.208 2.863 1.624 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 18 . 2747 . 1 1 2 ABA N N 1.193 2.585 1.679 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 18 . 2748 . 1 1 2 ABA O O 0.810 5.080 -0.239 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 18 . 2749 . 1 1 3 ASN C C 1.130 4.603 -3.456 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 18 . 2750 . 1 1 3 ASN CA C 2.144 4.070 -2.448 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 18 . 2751 . 1 1 3 ASN CB C 3.198 3.224 -3.166 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 18 . 2752 . 1 1 3 ASN CG C 4.537 3.246 -2.456 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 18 . 2753 . 1 1 3 ASN H H 1.495 2.305 -1.476 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 18 . 2754 . 1 1 3 ASN HA H 2.631 4.906 -1.969 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 18 . 2755 . 1 1 3 ASN HB2 H 2.855 2.201 -3.217 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2756 . 1 1 3 ASN HB3 H 3.335 3.604 -4.167 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 18 . 2757 . 1 1 3 ASN HD21 H 3.854 1.987 -1.076 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 18 . 2758 . 1 1 3 ASN HD22 H 5.493 2.497 -0.882 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 18 . 2759 . 1 1 3 ASN N N 1.483 3.283 -1.413 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 18 . 2760 . 1 1 3 ASN ND2 N 4.638 2.501 -1.361 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 18 . 2761 . 1 1 3 ASN O O 1.406 5.558 -4.183 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 18 . 2762 . 1 1 3 ASN OD1 O 5.471 3.923 -2.888 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2763 . 1 1 4 ILE C C -1.861 5.594 -3.866 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 18 . 2764 . 1 1 4 ILE CA C -1.098 4.392 -4.411 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 18 . 2765 . 1 1 4 ILE CB C -2.091 3.245 -4.679 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 18 . 2766 . 1 1 4 ILE CD1 C -1.086 1.033 -3.921 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2767 . 1 1 4 ILE CG1 C -1.340 1.974 -5.078 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 18 . 2768 . 1 1 4 ILE CG2 C -3.081 3.645 -5.763 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 18 . 2769 . 1 1 4 ILE H H -0.203 3.225 -2.889 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 18 . 2770 . 1 1 4 ILE HA H -0.636 4.667 -5.348 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 18 . 2771 . 1 1 4 ILE HB H -2.644 3.058 -3.771 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 18 . 2772 . 1 1 4 ILE HD11 H -0.035 1.038 -3.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 18 . 2773 . 1 1 4 ILE HD12 H -1.659 1.354 -3.063 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 18 . 2774 . 1 1 4 ILE HD13 H -1.385 0.032 -4.199 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 18 . 2775 . 1 1 4 ILE HG12 H -1.915 1.440 -5.818 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 18 . 2776 . 1 1 4 ILE HG13 H -0.383 2.247 -5.500 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 18 . 2777 . 1 1 4 ILE HG21 H -2.988 2.970 -6.601 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 18 . 2778 . 1 1 4 ILE HG22 H -4.085 3.593 -5.369 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 18 . 2779 . 1 1 4 ILE HG23 H -2.873 4.653 -6.087 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 18 . 2780 . 1 1 4 ILE N N -0.043 3.979 -3.494 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 18 . 2781 . 1 1 4 ILE O O -2.414 6.388 -4.627 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 18 . 2782 . 1 1 5 ILE C C -1.824 8.139 -2.090 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 18 . 2783 . 1 1 5 ILE CA C -2.580 6.829 -1.896 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 18 . 2784 . 1 1 5 ILE CB C -2.764 6.573 -0.389 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 18 . 2785 . 1 1 5 ILE CD1 C -4.983 5.379 -0.752 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2786 . 1 1 5 ILE CG1 C -3.592 5.306 -0.162 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 18 . 2787 . 1 1 5 ILE CG2 C -3.427 7.772 0.274 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 18 . 2788 . 1 1 5 ILE H H -1.428 5.056 -1.990 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 18 . 2789 . 1 1 5 ILE HA H -3.557 6.919 -2.348 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 18 . 2790 . 1 1 5 ILE HB H -1.789 6.442 0.053 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 18 . 2791 . 1 1 5 ILE HD11 H -5.714 5.238 0.030 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 18 . 2792 . 1 1 5 ILE HD12 H -5.129 6.344 -1.213 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 18 . 2793 . 1 1 5 ILE HD13 H -5.099 4.603 -1.496 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 18 . 2794 . 1 1 5 ILE HG12 H -3.085 4.467 -0.611 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 18 . 2795 . 1 1 5 ILE HG13 H -3.690 5.136 0.901 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 18 . 2796 . 1 1 5 ILE HG21 H -2.687 8.333 0.824 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 18 . 2797 . 1 1 5 ILE HG22 H -3.868 8.403 -0.483 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 18 . 2798 . 1 1 5 ILE HG23 H -4.196 7.430 0.950 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 18 . 2799 . 1 1 5 ILE N N -1.887 5.722 -2.543 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 18 . 2800 . 1 1 5 ILE O O -2.364 9.214 -2.219 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 18 . 2801 . 1 1 6 ABA C C -0.064 10.037 -3.495 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 18 . 2802 . 1 1 6 ABA CA C 0.407 9.238 -2.298 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 18 . 2803 . 1 1 6 ABA H H -0.046 7.080 -1.997 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 18 . 2804 . 1 1 6 ABA N N -0.445 8.049 -2.116 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 18 . 2805 . 1 1 6 ABA O O -0.400 11.206 -3.306 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 18 . 2806 . 1 1 7 PRO C C -2.032 10.485 -5.895 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 18 . 2807 . 1 1 7 PRO CA C -0.536 10.193 -5.908 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 18 . 2808 . 1 1 7 PRO CB C -0.188 9.233 -7.049 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 18 . 2809 . 1 1 7 PRO CD C 0.289 8.082 -5.009 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 18 . 2810 . 1 1 7 PRO CG C -0.190 7.882 -6.420 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 18 . 2811 . 1 1 7 PRO HA H 0.009 11.118 -6.035 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 18 . 2812 . 1 1 7 PRO HB2 H -0.935 9.309 -7.827 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2813 . 1 1 7 PRO HB3 H 0.784 9.481 -7.449 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 18 . 2814 . 1 1 7 PRO HD2 H -0.206 7.392 -4.342 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 18 . 2815 . 1 1 7 PRO HD3 H 1.361 7.960 -4.953 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 18 . 2816 . 1 1 7 PRO HG2 H -1.190 7.477 -6.424 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 18 . 2817 . 1 1 7 PRO HG3 H 0.483 7.228 -6.955 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 18 . 2818 . 1 1 7 PRO N N -0.098 9.471 -4.710 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 18 . 2819 . 1 1 7 PRO O O -2.470 11.561 -6.303 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 18 . 2820 . 1 1 8 LEU C C -4.649 10.775 -4.374 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 18 . 2821 . 1 1 8 LEU CA C -4.263 9.673 -5.356 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 18 . 2822 . 1 1 8 LEU CB C -4.916 8.353 -4.941 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 18 . 2823 . 1 1 8 LEU CD1 C -5.299 5.908 -5.341 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2824 . 1 1 8 LEU CD2 C -5.698 7.551 -7.184 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 18 . 2825 . 1 1 8 LEU CG C -4.849 7.220 -5.965 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 18 . 2826 . 1 1 8 LEU H H -2.408 8.684 -5.112 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 18 . 2827 . 1 1 8 LEU HA H -4.613 9.945 -6.340 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 18 . 2828 . 1 1 8 LEU HB2 H -4.431 8.013 -4.039 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2829 . 1 1 8 LEU HB3 H -5.958 8.552 -4.734 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 18 . 2830 . 1 1 8 LEU HD11 H -5.244 5.121 -6.078 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 18 . 2831 . 1 1 8 LEU HD12 H -6.316 6.006 -4.993 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 18 . 2832 . 1 1 8 LEU HD13 H -4.655 5.667 -4.507 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 18 . 2833 . 1 1 8 LEU HD21 H -6.165 6.650 -7.553 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 18 . 2834 . 1 1 8 LEU HD22 H -5.070 7.973 -7.956 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 18 . 2835 . 1 1 8 LEU HD23 H -6.460 8.265 -6.909 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 18 . 2836 . 1 1 8 LEU HG H -3.825 7.099 -6.293 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 18 . 2837 . 1 1 8 LEU N N -2.814 9.519 -5.423 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 18 . 2838 . 1 1 8 LEU O O -5.786 11.248 -4.372 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 18 . 2839 . 1 1 9 LEU C C -4.092 13.587 -3.235 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 18 . 2840 . 1 1 9 LEU CA C -3.934 12.229 -2.558 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 18 . 2841 . 1 1 9 LEU CB C -2.786 12.279 -1.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 18 . 2842 . 1 1 9 LEU CD1 C -3.807 12.829 0.673 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2843 . 1 1 9 LEU CD2 C -1.533 13.696 0.097 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 18 . 2844 . 1 1 9 LEU CG C -2.908 13.331 -0.445 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 18 . 2845 . 1 1 9 LEU H H -2.809 10.765 -3.592 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 18 . 2846 . 1 1 9 LEU HA H -4.850 11.992 -2.037 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 18 . 2847 . 1 1 9 LEU HB2 H -2.717 11.311 -1.077 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2848 . 1 1 9 LEU HB3 H -1.875 12.477 -2.096 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 18 . 2849 . 1 1 9 LEU HD11 H -4.229 13.670 1.202 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 18 . 2850 . 1 1 9 LEU HD12 H -3.229 12.227 1.358 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 18 . 2851 . 1 1 9 LEU HD13 H -4.603 12.231 0.254 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 18 . 2852 . 1 1 9 LEU HD21 H -0.786 13.503 -0.658 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 18 . 2853 . 1 1 9 LEU HD22 H -1.322 13.101 0.974 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 18 . 2854 . 1 1 9 LEU HD23 H -1.517 14.744 0.360 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 18 . 2855 . 1 1 9 LEU HG H -3.355 14.225 -0.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 18 . 2856 . 1 1 9 LEU N N -3.695 11.180 -3.543 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 18 . 2857 . 1 1 9 LEU O O -4.896 14.421 -2.888 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 18 . 2858 . 1 1 10 ABA C C -4.722 15.410 -5.469 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 18 . 2859 . 1 1 10 ABA CA C -3.299 15.109 -5.047 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 18 . 2860 . 1 1 10 ABA H H -2.576 13.064 -4.546 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 18 . 2861 . 1 1 10 ABA N N -3.250 13.837 -4.302 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 18 . 2862 . 1 1 10 ABA O O -5.224 16.462 -5.075 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 18 . 2863 . 1 1 11 PRO C C -7.771 14.683 -5.561 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 18 . 2864 . 1 1 11 PRO CA C -6.763 14.787 -6.700 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 18 . 2865 . 1 1 11 PRO CB C -6.999 13.676 -7.726 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 18 . 2866 . 1 1 11 PRO CD C -4.850 13.274 -6.759 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 18 . 2867 . 1 1 11 PRO CG C -6.060 12.589 -7.330 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 18 . 2868 . 1 1 11 PRO HA H -6.862 15.749 -7.181 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 18 . 2869 . 1 1 11 PRO HB2 H -8.028 13.348 -7.675 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2870 . 1 1 11 PRO HB3 H -6.781 14.043 -8.718 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 18 . 2871 . 1 1 11 PRO HD2 H -4.428 12.688 -5.956 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 18 . 2872 . 1 1 11 PRO HD3 H -4.115 13.447 -7.530 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 18 . 2873 . 1 1 11 PRO HG2 H -6.521 11.959 -6.585 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 18 . 2874 . 1 1 11 PRO HG3 H -5.786 12.007 -8.198 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 18 . 2875 . 1 1 11 PRO N N -5.388 14.548 -6.252 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 18 . 2876 . 1 1 11 PRO O O -8.895 15.127 -5.615 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 18 . 2877 . 1 1 12 DCL C C -7.815 14.907 -2.186 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 18 . 2878 . 1 1 12 DCL CA C -8.190 13.860 -3.233 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 18 . 2879 . 1 1 12 DCL CB C -7.983 12.453 -2.652 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 18 . 2880 . 1 1 12 DCL CD1 C -8.685 10.914 -0.817 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 18 . 2881 . 1 1 12 DCL CD2 C -10.316 11.473 -2.610 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 18 . 2882 . 1 1 12 DCL CG C -9.159 12.015 -1.769 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 18 . 2883 . 1 1 12 DCL HA H -9.260 13.983 -3.517 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 18 . 2884 . 1 1 12 DCL HB1 H -7.875 11.731 -3.491 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 18 . 2885 . 1 1 12 DCL HB2 H -7.055 12.451 -2.041 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 18 . 2886 . 1 1 12 DCL HC1 H -7.353 14.429 -1.295 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 18 . 2887 . 1 1 12 DCL HC2 H -7.114 15.659 -2.608 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 18 . 2888 . 1 1 12 DCL HD11 H -9.440 10.768 -0.015 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 18 . 2889 . 1 1 12 DCL HD12 H -8.558 9.966 -1.383 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 18 . 2890 . 1 1 12 DCL HD13 H -7.714 11.210 -0.364 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 18 . 2891 . 1 1 12 DCL HD21 H -9.986 11.359 -3.665 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 18 . 2892 . 1 1 12 DCL HD22 H -10.631 10.484 -2.211 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 18 . 2893 . 1 1 12 DCL HD23 H -11.170 12.182 -2.564 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 18 . 2894 . 1 1 12 DCL HG H -9.520 12.898 -1.200 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 18 . 2895 . 1 1 12 DCL HN1 H -6.346 13.683 -4.454 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 18 . 2896 . 1 1 12 DCL HXT H -9.056 16.591 -1.874 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 18 . 2897 . 1 1 12 DCL N N -7.337 14.040 -4.420 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 18 . 2898 . 1 1 12 DCL OXT O -8.985 15.588 -1.760 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 19 . 2899 . 1 1 1 ACE C C -0.358 1.006 1.542 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 19 . 2900 . 1 1 1 ACE CH3 C -0.793 -0.259 0.886 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 19 . 2901 . 1 1 1 ACE H1 H -1.874 -0.364 0.981 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 19 . 2902 . 1 1 1 ACE H2 H -0.522 -0.232 -0.170 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 19 . 2903 . 1 1 1 ACE H3 H -0.301 -1.105 1.366 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 19 . 2904 . 1 1 1 ACE O O -0.479 1.253 2.720 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 19 . 2905 . 1 1 2 ABA C C 1.298 4.035 0.046 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 19 . 2906 . 1 1 2 ABA CA C 0.705 3.237 1.188 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 19 . 2907 . 1 1 2 ABA H H 0.292 1.649 -0.316 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 19 . 2908 . 1 1 2 ABA N N 0.221 1.934 0.696 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 19 . 2909 . 1 1 2 ABA O O 1.231 5.261 0.129 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 19 . 2910 . 1 1 3 ASN C C 1.378 4.612 -3.069 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 19 . 2911 . 1 1 3 ASN CA C 2.454 4.146 -2.093 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 19 . 2912 . 1 1 3 ASN CB C 3.477 3.274 -2.824 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 19 . 2913 . 1 1 3 ASN CG C 4.562 4.095 -3.495 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 19 . 2914 . 1 1 3 ASN H H 1.888 2.430 -0.991 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 19 . 2915 . 1 1 3 ASN HA H 2.956 5.012 -1.689 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 19 . 2916 . 1 1 3 ASN HB2 H 3.945 2.607 -2.115 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 2917 . 1 1 3 ASN HB3 H 2.972 2.692 -3.580 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 19 . 2918 . 1 1 3 ASN HD21 H 3.452 4.265 -5.137 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 19 . 2919 . 1 1 3 ASN HD22 H 4.995 5.040 -5.189 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 19 . 2920 . 1 1 3 ASN N N 1.865 3.410 -0.981 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 19 . 2921 . 1 1 3 ASN ND2 N 4.311 4.509 -4.732 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 19 . 2922 . 1 1 3 ASN O O 1.599 5.528 -3.862 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 19 . 2923 . 1 1 3 ASN OD1 O 5.613 4.354 -2.908 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 19 . 2924 . 1 1 4 ILE C C -1.638 5.558 -3.363 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 19 . 2925 . 1 1 4 ILE CA C -0.899 4.328 -3.879 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 19 . 2926 . 1 1 4 ILE CB C -1.897 3.163 -4.016 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 19 . 2927 . 1 1 4 ILE CD1 C -2.082 0.700 -4.633 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 19 . 2928 . 1 1 4 ILE CG1 C -1.194 1.923 -4.575 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 19 . 2929 . 1 1 4 ILE CG2 C -3.061 3.565 -4.908 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 19 . 2930 . 1 1 4 ILE H H 0.097 3.256 -2.350 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 19 . 2931 . 1 1 4 ILE HA H -0.495 4.547 -4.857 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 19 . 2932 . 1 1 4 ILE HB H -2.287 2.935 -3.036 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 19 . 2933 . 1 1 4 ILE HD11 H -2.318 0.475 -5.663 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 19 . 2934 . 1 1 4 ILE HD12 H -1.570 -0.139 -4.188 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 19 . 2935 . 1 1 4 ILE HD13 H -2.997 0.893 -4.091 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 19 . 2936 . 1 1 4 ILE HG12 H -0.851 2.132 -5.576 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 19 . 2937 . 1 1 4 ILE HG13 H -0.345 1.688 -3.949 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 19 . 2938 . 1 1 4 ILE HG21 H -3.231 2.796 -5.647 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 19 . 2939 . 1 1 4 ILE HG22 H -3.950 3.687 -4.307 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 19 . 2940 . 1 1 4 ILE HG23 H -2.831 4.496 -5.403 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 19 . 2941 . 1 1 4 ILE N N 0.213 3.977 -3.003 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 19 . 2942 . 1 1 4 ILE O O -2.223 6.313 -4.140 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 19 . 2943 . 1 1 5 ILE C C -1.522 8.190 -1.722 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 19 . 2944 . 1 1 5 ILE CA C -2.270 6.894 -1.431 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 19 . 2945 . 1 1 5 ILE CB C -2.391 6.715 0.094 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 19 . 2946 . 1 1 5 ILE CD1 C -4.607 5.486 -0.150 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 19 . 2947 . 1 1 5 ILE CG1 C -3.205 5.461 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 19 . 2948 . 1 1 5 ILE CG2 C -3.029 7.945 0.722 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 19 . 2949 . 1 1 5 ILE H H -1.123 5.116 -1.483 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 19 . 2950 . 1 1 5 ILE HA H -3.265 6.964 -1.845 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 19 . 2951 . 1 1 5 ILE HB H -1.398 6.606 0.501 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 19 . 2952 . 1 1 5 ILE HD11 H -5.182 4.675 0.272 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 19 . 2953 . 1 1 5 ILE HD12 H -5.077 6.427 0.092 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 19 . 2954 . 1 1 5 ILE HD13 H -4.561 5.373 -1.223 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 19 . 2955 . 1 1 5 ILE HG12 H -2.700 4.597 0.018 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 19 . 2956 . 1 1 5 ILE HG13 H -3.284 5.361 1.492 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 19 . 2957 . 1 1 5 ILE HG21 H -3.854 8.275 0.109 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 19 . 2958 . 1 1 5 ILE HG22 H -3.391 7.698 1.709 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 19 . 2959 . 1 1 5 ILE HG23 H -2.295 8.734 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 19 . 2960 . 1 1 5 ILE N N -1.605 5.753 -2.050 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 19 . 2961 . 1 1 5 ILE O O -2.064 9.262 -1.866 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 19 . 2962 . 1 1 6 ABA C C 0.162 10.018 -3.301 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 19 . 2963 . 1 1 6 ABA CA C 0.698 9.267 -2.100 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 19 . 2964 . 1 1 6 ABA H H 0.255 7.126 -1.682 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 19 . 2965 . 1 1 6 ABA N N -0.147 8.092 -1.820 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 19 . 2966 . 1 1 6 ABA O O -0.159 11.196 -3.142 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 19 . 2967 . 1 1 7 PRO C C -1.937 10.376 -5.603 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 19 . 2968 . 1 1 7 PRO CA C -0.444 10.077 -5.688 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 19 . 2969 . 1 1 7 PRO CB C -0.164 9.069 -6.805 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 19 . 2970 . 1 1 7 PRO CD C 0.423 8.000 -4.749 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 19 . 2971 . 1 1 7 PRO CG C -0.135 7.745 -6.122 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 19 . 2972 . 1 1 7 PRO HA H 0.094 10.992 -5.884 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 19 . 2973 . 1 1 7 PRO HB2 H -0.954 9.116 -7.543 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 2974 . 1 1 7 PRO HB3 H 0.784 9.294 -7.270 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 19 . 2975 . 1 1 7 PRO HD2 H -0.035 7.341 -4.027 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 19 . 2976 . 1 1 7 PRO HD3 H 1.496 7.875 -4.749 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 19 . 2977 . 1 1 7 PRO HG2 H -1.135 7.345 -6.052 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 19 . 2978 . 1 1 7 PRO HG3 H 0.505 7.066 -6.666 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 19 . 2979 . 1 1 7 PRO N N 0.058 9.402 -4.488 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 19 . 2980 . 1 1 7 PRO O O -2.393 11.440 -6.025 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 19 . 2981 . 1 1 8 LEU C C -4.465 10.737 -3.954 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 19 . 2982 . 1 1 8 LEU CA C -4.137 9.596 -4.912 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 19 . 2983 . 1 1 8 LEU CB C -4.770 8.297 -4.411 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 19 . 2984 . 1 1 8 LEU CD1 C -5.297 5.867 -4.728 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 19 . 2985 . 1 1 8 LEU CD2 C -5.611 7.469 -6.623 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 19 . 2986 . 1 1 8 LEU CG C -4.775 7.129 -5.398 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 19 . 2987 . 1 1 8 LEU H H -2.274 8.607 -4.735 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 19 . 2988 . 1 1 8 LEU HA H -4.541 9.832 -5.885 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 19 . 2989 . 1 1 8 LEU HB2 H -4.230 7.984 -3.531 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 2990 . 1 1 8 LEU HB3 H -5.796 8.511 -4.145 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 19 . 2991 . 1 1 8 LEU HD11 H -4.668 5.620 -3.886 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 19 . 2992 . 1 1 8 LEU HD12 H -5.286 5.052 -5.437 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 19 . 2993 . 1 1 8 LEU HD13 H -6.309 6.032 -4.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 19 . 2994 . 1 1 8 LEU HD21 H -5.119 8.247 -7.188 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 19 . 2995 . 1 1 8 LEU HD22 H -6.586 7.813 -6.310 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 19 . 2996 . 1 1 8 LEU HD23 H -5.720 6.590 -7.240 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 19 . 2997 . 1 1 8 LEU HG H -3.762 6.938 -5.725 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 19 . 2998 . 1 1 8 LEU N N -2.694 9.433 -5.053 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 19 . 2999 . 1 1 8 LEU O O -5.599 11.214 -3.904 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 19 . 3000 . 1 1 9 LEU C C -3.840 13.590 -2.960 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 19 . 3001 . 1 1 9 LEU CA C -3.645 12.259 -2.240 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 19 . 3002 . 1 1 9 LEU CB C -2.439 12.346 -1.302 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 19 . 3003 . 1 1 9 LEU CD1 C -2.073 14.770 -0.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 19 . 3004 . 1 1 9 LEU CD2 C -3.911 13.514 0.357 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 19 . 3005 . 1 1 9 LEU CG C -2.506 13.425 -0.222 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 19 . 3006 . 1 1 9 LEU H H -2.583 10.752 -3.280 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 19 . 3007 . 1 1 9 LEU HA H -4.529 12.045 -1.658 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 19 . 3008 . 1 1 9 LEU HB2 H -2.335 11.391 -0.810 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 3009 . 1 1 9 LEU HB3 H -1.564 12.535 -1.907 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 19 . 3010 . 1 1 9 LEU HD11 H -2.879 15.480 -0.679 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 19 . 3011 . 1 1 9 LEU HD12 H -1.823 14.660 -1.828 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 19 . 3012 . 1 1 9 LEU HD13 H -1.208 15.125 -0.242 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 19 . 3013 . 1 1 9 LEU HD21 H -3.862 13.922 1.356 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 19 . 3014 . 1 1 9 LEU HD22 H -4.348 12.527 0.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 19 . 3015 . 1 1 9 LEU HD23 H -4.516 14.155 -0.265 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 19 . 3016 . 1 1 9 LEU HG H -1.829 13.165 0.580 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 19 . 3017 . 1 1 9 LEU N N -3.464 11.172 -3.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 19 . 3018 . 1 1 9 LEU O O -4.623 14.439 -2.601 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 19 . 3019 . 1 1 10 ABA C C -4.595 15.325 -5.226 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 19 . 3020 . 1 1 10 ABA CA C -3.151 15.038 -4.873 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 19 . 3021 . 1 1 10 ABA H H -2.402 13.012 -4.334 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 19 . 3022 . 1 1 10 ABA N N -3.060 13.796 -4.082 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 19 . 3023 . 1 1 10 ABA O O -5.075 16.393 -4.846 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 19 . 3024 . 1 1 11 PRO C C -7.645 14.602 -5.117 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 19 . 3025 . 1 1 11 PRO CA C -6.703 14.659 -6.315 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 19 . 3026 . 1 1 11 PRO CB C -6.996 13.508 -7.281 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 19 . 3027 . 1 1 11 PRO CD C -4.797 13.141 -6.421 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 19 . 3028 . 1 1 11 PRO CG C -6.037 12.436 -6.896 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 19 . 3029 . 1 1 11 PRO HA H -6.829 15.602 -6.826 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 19 . 3030 . 1 1 11 PRO HB2 H -8.021 13.186 -7.159 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 3031 . 1 1 11 PRO HB3 H -6.835 13.837 -8.297 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 19 . 3032 . 1 1 11 PRO HD2 H -4.330 12.585 -5.621 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 19 . 3033 . 1 1 11 PRO HD3 H -4.106 13.281 -7.239 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 19 . 3034 . 1 1 11 PRO HG2 H -6.455 11.837 -6.102 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 19 . 3035 . 1 1 11 PRO HG3 H -5.812 11.820 -7.754 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 19 . 3036 . 1 1 11 PRO N N -5.305 14.435 -5.935 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 19 . 3037 . 1 1 11 PRO O O -8.555 15.380 -4.939 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 19 . 3038 . 1 1 12 DCL C C -7.335 13.496 -1.766 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 19 . 3039 . 1 1 12 DCL CA C -8.233 13.404 -2.998 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 19 . 3040 . 1 1 12 DCL CB C -8.912 12.027 -3.039 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 19 . 3041 . 1 1 12 DCL CD1 C -11.348 11.484 -3.002 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 19 . 3042 . 1 1 12 DCL CD2 C -10.084 11.203 -5.125 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 19 . 3043 . 1 1 12 DCL CG C -10.211 12.048 -3.856 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 19 . 3044 . 1 1 12 DCL HA H -9.016 14.195 -2.949 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 19 . 3045 . 1 1 12 DCL HB1 H -8.211 11.295 -3.496 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 19 . 3046 . 1 1 12 DCL HB2 H -9.148 11.713 -1.999 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 19 . 3047 . 1 1 12 DCL HC1 H -7.845 13.079 -0.870 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 19 . 3048 . 1 1 12 DCL HC2 H -6.377 12.957 -1.930 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 19 . 3049 . 1 1 12 DCL HD11 H -11.214 11.805 -1.947 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 19 . 3050 . 1 1 12 DCL HD12 H -12.321 11.862 -3.385 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 19 . 3051 . 1 1 12 DCL HD13 H -11.335 10.373 -3.056 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 19 . 3052 . 1 1 12 DCL HD21 H -10.883 11.489 -5.842 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 19 . 3053 . 1 1 12 DCL HD22 H -9.089 11.381 -5.590 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 19 . 3054 . 1 1 12 DCL HD23 H -10.186 10.128 -4.866 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 19 . 3055 . 1 1 12 DCL HG H -10.425 13.097 -4.152 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 19 . 3056 . 1 1 12 DCL HN1 H -6.602 12.958 -4.434 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 19 . 3057 . 1 1 12 DCL HXT H -6.069 15.170 -1.495 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 19 . 3058 . 1 1 12 DCL N N -7.413 13.591 -4.206 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 19 . 3059 . 1 1 12 DCL OXT O -7.032 14.858 -1.504 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 1 . 20 . 3060 . 1 1 1 ACE C C 0.509 1.821 2.859 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34066_5mf8 1 . 20 . 3061 . 1 1 1 ACE CH3 C 1.590 1.497 3.832 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34066_5mf8 1 . 20 . 3062 . 1 1 1 ACE H1 H 1.851 2.392 4.396 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34066_5mf8 1 . 20 . 3063 . 1 1 1 ACE H2 H 1.242 0.724 4.518 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34066_5mf8 1 . 20 . 3064 . 1 1 1 ACE H3 H 2.468 1.137 3.294 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34066_5mf8 1 . 20 . 3065 . 1 1 1 ACE O O -0.639 1.452 2.951 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34066_5mf8 1 . 20 . 3066 . 1 1 2 ABA C C 0.661 3.857 -0.301 . . . 1.0 . . . . . . . . . . . . A . 2 AIB C . . . . . . . . . c34066_5mf8 1 . 20 . 3067 . 1 1 2 ABA CA C -0.047 3.012 0.737 . . . 1.0 . . . . . . . . . . . . A . 2 AIB CA . . . . . . . . . c34066_5mf8 1 . 20 . 3068 . 1 1 2 ABA H H 1.917 2.886 1.777 . . . 1.0 . . . . . . . . . . . . A . 2 AIB H . . . . . . . . . c34066_5mf8 1 . 20 . 3069 . 1 1 2 ABA N N 0.902 2.603 1.790 . . . 1.0 . . . . . . . . . . . . A . 2 AIB N . . . . . . . . . c34066_5mf8 1 . 20 . 3070 . 1 1 2 ABA O O 0.589 5.078 -0.169 . . . 1.0 . . . . . . . . . . . . A . 2 AIB O . . . . . . . . . c34066_5mf8 1 . 20 . 3071 . 1 1 3 ASN C C 1.058 4.576 -3.360 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c34066_5mf8 1 . 20 . 3072 . 1 1 3 ASN CA C 2.029 4.056 -2.304 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c34066_5mf8 1 . 20 . 3073 . 1 1 3 ASN CB C 3.117 3.210 -2.968 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c34066_5mf8 1 . 20 . 3074 . 1 1 3 ASN CG C 4.437 3.948 -3.080 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c34066_5mf8 1 . 20 . 3075 . 1 1 3 ASN H H 1.349 2.296 -1.345 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c34066_5mf8 1 . 20 . 3076 . 1 1 3 ASN HA H 2.492 4.898 -1.811 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c34066_5mf8 1 . 20 . 3077 . 1 1 3 ASN HB2 H 3.276 2.315 -2.384 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3078 . 1 1 3 ASN HB3 H 2.795 2.934 -3.961 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c34066_5mf8 1 . 20 . 3079 . 1 1 3 ASN HD21 H 5.389 2.428 -2.221 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c34066_5mf8 1 . 20 . 3080 . 1 1 3 ASN HD22 H 6.374 3.775 -2.667 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c34066_5mf8 1 . 20 . 3081 . 1 1 3 ASN N N 1.328 3.274 -1.292 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c34066_5mf8 1 . 20 . 3082 . 1 1 3 ASN ND2 N 5.508 3.320 -2.608 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c34066_5mf8 1 . 20 . 3083 . 1 1 3 ASN O O 1.362 5.525 -4.084 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c34066_5mf8 1 . 20 . 3084 . 1 1 3 ASN OD1 O 4.493 5.070 -3.583 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3085 . 1 1 4 ILE C C -1.919 5.550 -3.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c34066_5mf8 1 . 20 . 3086 . 1 1 4 ILE CA C -1.126 4.349 -4.407 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c34066_5mf8 1 . 20 . 3087 . 1 1 4 ILE CB C -2.100 3.195 -4.710 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c34066_5mf8 1 . 20 . 3088 . 1 1 4 ILE CD1 C -1.079 1.012 -3.892 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3089 . 1 1 4 ILE CG1 C -1.325 1.926 -5.072 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 20 . 3090 . 1 1 4 ILE CG2 C -3.046 3.583 -5.836 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 20 . 3091 . 1 1 4 ILE H H -0.294 3.200 -2.837 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c34066_5mf8 1 . 20 . 3092 . 1 1 4 ILE HA H -0.624 4.621 -5.324 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c34066_5mf8 1 . 20 . 3093 . 1 1 4 ILE HB H -2.689 3.009 -3.825 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c34066_5mf8 1 . 20 . 3094 . 1 1 4 ILE HD11 H -1.489 0.035 -4.102 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 20 . 3095 . 1 1 4 ILE HD12 H -0.018 0.928 -3.716 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 20 . 3096 . 1 1 4 ILE HD13 H -1.559 1.421 -3.014 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 20 . 3097 . 1 1 4 ILE HG12 H -1.880 1.371 -5.811 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 20 . 3098 . 1 1 4 ILE HG13 H -0.365 2.205 -5.482 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 20 . 3099 . 1 1 4 ILE HG21 H -2.898 2.920 -6.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 20 . 3100 . 1 1 4 ILE HG22 H -4.067 3.504 -5.492 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 20 . 3101 . 1 1 4 ILE HG23 H -2.847 4.600 -6.141 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 20 . 3102 . 1 1 4 ILE N N -0.110 3.949 -3.441 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c34066_5mf8 1 . 20 . 3103 . 1 1 4 ILE O O -2.418 6.352 -4.694 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c34066_5mf8 1 . 20 . 3104 . 1 1 5 ILE C C -1.989 8.083 -2.112 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . c34066_5mf8 1 . 20 . 3105 . 1 1 5 ILE CA C -2.760 6.774 -1.977 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . c34066_5mf8 1 . 20 . 3106 . 1 1 5 ILE CB C -3.043 6.510 -0.486 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . c34066_5mf8 1 . 20 . 3107 . 1 1 5 ILE CD1 C -4.173 4.893 1.122 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3108 . 1 1 5 ILE CG1 C -3.843 5.217 -0.318 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . c34066_5mf8 1 . 20 . 3109 . 1 1 5 ILE CG2 C -3.788 7.685 0.128 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . c34066_5mf8 1 . 20 . 3110 . 1 1 5 ILE H H -1.610 4.998 -2.008 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . c34066_5mf8 1 . 20 . 3111 . 1 1 5 ILE HA H -3.706 6.871 -2.490 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . c34066_5mf8 1 . 20 . 3112 . 1 1 5 ILE HB H -2.097 6.408 0.024 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . c34066_5mf8 1 . 20 . 3113 . 1 1 5 ILE HD11 H -3.483 5.407 1.774 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . c34066_5mf8 1 . 20 . 3114 . 1 1 5 ILE HD12 H -5.181 5.210 1.342 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . c34066_5mf8 1 . 20 . 3115 . 1 1 5 ILE HD13 H -4.089 3.827 1.280 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . c34066_5mf8 1 . 20 . 3116 . 1 1 5 ILE HG12 H -4.773 5.303 -0.859 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . c34066_5mf8 1 . 20 . 3117 . 1 1 5 ILE HG13 H -3.272 4.393 -0.722 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . c34066_5mf8 1 . 20 . 3118 . 1 1 5 ILE HG21 H -3.959 8.437 -0.628 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . c34066_5mf8 1 . 20 . 3119 . 1 1 5 ILE HG22 H -4.736 7.345 0.517 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . c34066_5mf8 1 . 20 . 3120 . 1 1 5 ILE HG23 H -3.200 8.106 0.929 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . c34066_5mf8 1 . 20 . 3121 . 1 1 5 ILE N N -2.030 5.669 -2.585 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . c34066_5mf8 1 . 20 . 3122 . 1 1 5 ILE O O -2.516 9.162 -2.260 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . c34066_5mf8 1 . 20 . 3123 . 1 1 6 ABA C C -0.150 9.993 -3.388 . . . 1.0 . . . . . . . . . . . . A . 6 AIB C . . . . . . . . . c34066_5mf8 1 . 20 . 3124 . 1 1 6 ABA CA C 0.255 9.174 -2.180 . . . 1.0 . . . . . . . . . . . . A . 6 AIB CA . . . . . . . . . c34066_5mf8 1 . 20 . 3125 . 1 1 6 ABA H H -0.224 7.015 -1.929 . . . 1.0 . . . . . . . . . . . . A . 6 AIB H . . . . . . . . . c34066_5mf8 1 . 20 . 3126 . 1 1 6 ABA N N -0.612 7.987 -2.060 . . . 1.0 . . . . . . . . . . . . A . 6 AIB N . . . . . . . . . c34066_5mf8 1 . 20 . 3127 . 1 1 6 ABA O O -0.492 11.160 -3.200 . . . 1.0 . . . . . . . . . . . . A . 6 AIB O . . . . . . . . . c34066_5mf8 1 . 20 . 3128 . 1 1 7 PRO C C -1.986 10.484 -5.882 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c34066_5mf8 1 . 20 . 3129 . 1 1 7 PRO CA C -0.492 10.187 -5.820 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c34066_5mf8 1 . 20 . 3130 . 1 1 7 PRO CB C -0.087 9.242 -6.955 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c34066_5mf8 1 . 20 . 3131 . 1 1 7 PRO CD C 0.277 8.059 -4.910 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c34066_5mf8 1 . 20 . 3132 . 1 1 7 PRO CG C -0.127 7.882 -6.348 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c34066_5mf8 1 . 20 . 3133 . 1 1 7 PRO HA H 0.062 11.111 -5.904 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c34066_5mf8 1 . 20 . 3134 . 1 1 7 PRO HB2 H -0.791 9.333 -7.770 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3135 . 1 1 7 PRO HB3 H 0.905 9.492 -7.299 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 20 . 3136 . 1 1 7 PRO HD2 H -0.256 7.361 -4.281 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 20 . 3137 . 1 1 7 PRO HD3 H 1.344 7.932 -4.799 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 20 . 3138 . 1 1 7 PRO HG2 H -1.127 7.482 -6.410 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 20 . 3139 . 1 1 7 PRO HG3 H 0.571 7.234 -6.856 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 20 . 3140 . 1 1 7 PRO N N -0.120 9.445 -4.612 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c34066_5mf8 1 . 20 . 3141 . 1 1 7 PRO O O -2.397 11.568 -6.297 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c34066_5mf8 1 . 20 . 3142 . 1 1 8 LEU C C -4.679 10.766 -4.502 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c34066_5mf8 1 . 20 . 3143 . 1 1 8 LEU CA C -4.245 9.673 -5.474 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c34066_5mf8 1 . 20 . 3144 . 1 1 8 LEU CB C -4.924 8.352 -5.110 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c34066_5mf8 1 . 20 . 3145 . 1 1 8 LEU CD1 C -5.230 5.899 -5.526 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3146 . 1 1 8 LEU CD2 C -5.578 7.533 -7.387 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 20 . 3147 . 1 1 8 LEU CG C -4.781 7.221 -6.129 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c34066_5mf8 1 . 20 . 3148 . 1 1 8 LEU H H -2.408 8.674 -5.147 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c34066_5mf8 1 . 20 . 3149 . 1 1 8 LEU HA H -4.542 9.958 -6.473 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c34066_5mf8 1 . 20 . 3150 . 1 1 8 LEU HB2 H -4.503 8.010 -4.177 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3151 . 1 1 8 LEU HB3 H -5.978 8.548 -4.977 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 20 . 3152 . 1 1 8 LEU HD11 H -5.133 5.116 -6.263 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 20 . 3153 . 1 1 8 LEU HD12 H -6.261 5.977 -5.216 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 20 . 3154 . 1 1 8 LEU HD13 H -4.614 5.667 -4.669 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 20 . 3155 . 1 1 8 LEU HD21 H -5.955 6.614 -7.811 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 20 . 3156 . 1 1 8 LEU HD22 H -4.938 8.025 -8.106 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 20 . 3157 . 1 1 8 LEU HD23 H -6.405 8.181 -7.138 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 20 . 3158 . 1 1 8 LEU HG H -3.740 7.124 -6.407 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c34066_5mf8 1 . 20 . 3159 . 1 1 8 LEU N N -2.795 9.515 -5.467 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c34066_5mf8 1 . 20 . 3160 . 1 1 8 LEU O O -5.812 11.245 -4.555 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c34066_5mf8 1 . 20 . 3161 . 1 1 9 LEU C C -4.171 13.561 -3.300 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34066_5mf8 1 . 20 . 3162 . 1 1 9 LEU CA C -4.057 12.195 -2.632 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34066_5mf8 1 . 20 . 3163 . 1 1 9 LEU CB C -2.964 12.228 -1.562 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34066_5mf8 1 . 20 . 3164 . 1 1 9 LEU CD1 C -3.752 12.631 0.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3165 . 1 1 9 LEU CD2 C -1.806 13.919 -0.119 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34066_5mf8 1 . 20 . 3166 . 1 1 9 LEU CG C -3.140 13.268 -0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34066_5mf8 1 . 20 . 3167 . 1 1 9 LEU H H -2.884 10.738 -3.622 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34066_5mf8 1 . 20 . 3168 . 1 1 9 LEU HA H -5.000 11.956 -2.164 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34066_5mf8 1 . 20 . 3169 . 1 1 9 LEU HB2 H -2.927 11.254 -1.098 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3170 . 1 1 9 LEU HB3 H -2.024 12.425 -2.057 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34066_5mf8 1 . 20 . 3171 . 1 1 9 LEU HD11 H -2.967 12.355 1.471 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34066_5mf8 1 . 20 . 3172 . 1 1 9 LEU HD12 H -4.306 11.749 0.498 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34066_5mf8 1 . 20 . 3173 . 1 1 9 LEU HD13 H -4.417 13.336 1.259 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34066_5mf8 1 . 20 . 3174 . 1 1 9 LEU HD21 H -1.794 14.930 -0.499 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34066_5mf8 1 . 20 . 3175 . 1 1 9 LEU HD22 H -1.005 13.354 -0.572 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34066_5mf8 1 . 20 . 3176 . 1 1 9 LEU HD23 H -1.674 13.936 0.953 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34066_5mf8 1 . 20 . 3177 . 1 1 9 LEU HG H -3.813 14.041 -0.799 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34066_5mf8 1 . 20 . 3178 . 1 1 9 LEU N N -3.769 11.157 -3.616 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34066_5mf8 1 . 20 . 3179 . 1 1 9 LEU O O -4.989 14.396 -2.987 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34066_5mf8 1 . 20 . 3180 . 1 1 10 ABA C C -4.673 15.414 -5.542 . . . 1.0 . . . . . . . . . . . . A . 10 AIB C . . . . . . . . . c34066_5mf8 1 . 20 . 3181 . 1 1 10 ABA CA C -3.276 15.100 -5.050 . . . 1.0 . . . . . . . . . . . . A . 10 AIB CA . . . . . . . . . c34066_5mf8 1 . 20 . 3182 . 1 1 10 ABA H H -2.591 13.045 -4.536 . . . 1.0 . . . . . . . . . . . . A . 10 AIB H . . . . . . . . . c34066_5mf8 1 . 20 . 3183 . 1 1 10 ABA N N -3.273 13.819 -4.318 . . . 1.0 . . . . . . . . . . . . A . 10 AIB N . . . . . . . . . c34066_5mf8 1 . 20 . 3184 . 1 1 10 ABA O O -5.190 16.465 -5.162 . . . 1.0 . . . . . . . . . . . . A . 10 AIB O . . . . . . . . . c34066_5mf8 1 . 20 . 3185 . 1 1 11 PRO C C -7.717 14.707 -5.802 . . . 1.0 . . . . . . . . . . . . A . 11 PRO C . . . . . . . . . c34066_5mf8 1 . 20 . 3186 . 1 1 11 PRO CA C -6.650 14.818 -6.886 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CA . . . . . . . . . c34066_5mf8 1 . 20 . 3187 . 1 1 11 PRO CB C -6.839 13.721 -7.936 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CB . . . . . . . . . c34066_5mf8 1 . 20 . 3188 . 1 1 11 PRO CD C -4.746 13.295 -6.862 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CD . . . . . . . . . c34066_5mf8 1 . 20 . 3189 . 1 1 11 PRO CG C -5.928 12.624 -7.505 . . . 1.0 . . . . . . . . . . . . A . 11 PRO CG . . . . . . . . . c34066_5mf8 1 . 20 . 3190 . 1 1 11 PRO HA H -6.719 15.787 -7.359 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HA . . . . . . . . . c34066_5mf8 1 . 20 . 3191 . 1 1 11 PRO HB2 H -7.871 13.399 -7.943 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3192 . 1 1 11 PRO HB3 H -6.567 14.099 -8.910 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HB3 . . . . . . . . . c34066_5mf8 1 . 20 . 3193 . 1 1 11 PRO HD2 H -4.369 12.696 -6.046 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD2 . . . . . . . . . c34066_5mf8 1 . 20 . 3194 . 1 1 11 PRO HD3 H -3.970 13.472 -7.592 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HD3 . . . . . . . . . c34066_5mf8 1 . 20 . 3195 . 1 1 11 PRO HG2 H -6.431 11.988 -6.792 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG2 . . . . . . . . . c34066_5mf8 1 . 20 . 3196 . 1 1 11 PRO HG3 H -5.612 12.051 -8.364 . . . 1.0 . . . . . . . . . . . . A . 11 PRO HG3 . . . . . . . . . c34066_5mf8 1 . 20 . 3197 . 1 1 11 PRO N N -5.302 14.566 -6.369 . . . 1.0 . . . . . . . . . . . . A . 11 PRO N . . . . . . . . . c34066_5mf8 1 . 20 . 3198 . 1 1 11 PRO O O -8.786 15.272 -5.850 . . . 1.0 . . . . . . . . . . . . A . 11 PRO O . . . . . . . . . c34066_5mf8 1 . 20 . 3199 . 1 1 12 DCL C C -8.217 14.883 -2.632 . . . 1.0 . . . . . . . . . . . . A . 12 DCL C . . . . . . . . . c34066_5mf8 1 . 20 . 3200 . 1 1 12 DCL CA C -8.329 13.700 -3.592 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CA . . . . . . . . . c34066_5mf8 1 . 20 . 3201 . 1 1 12 DCL CB C -7.965 12.403 -2.855 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CB . . . . . . . . . c34066_5mf8 1 . 20 . 3202 . 1 1 12 DCL CD1 C -8.242 11.972 -0.412 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD1 . . . . . . . . . c34066_5mf8 1 . 20 . 3203 . 1 1 12 DCL CD2 C -9.670 10.727 -2.023 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CD2 . . . . . . . . . c34066_5mf8 1 . 20 . 3204 . 1 1 12 DCL CG C -8.976 12.063 -1.751 . . . 1.0 . . . . . . . . . . . . A . 12 DCL CG . . . . . . . . . c34066_5mf8 1 . 20 . 3205 . 1 1 12 DCL HA H -9.374 13.624 -3.970 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HA . . . . . . . . . c34066_5mf8 1 . 20 . 3206 . 1 1 12 DCL HB1 H -7.941 11.568 -3.589 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB1 . . . . . . . . . c34066_5mf8 1 . 20 . 3207 . 1 1 12 DCL HB2 H -6.960 12.521 -2.397 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HB2 . . . . . . . . . c34066_5mf8 1 . 20 . 3208 . 1 1 12 DCL HC1 H -8.934 14.779 -1.788 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC1 . . . . . . . . . c34066_5mf8 1 . 20 . 3209 . 1 1 12 DCL HC2 H -7.185 14.975 -2.232 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HC2 . . . . . . . . . c34066_5mf8 1 . 20 . 3210 . 1 1 12 DCL HD11 H -8.980 11.997 0.418 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD11 . . . . . . . . . c34066_5mf8 1 . 20 . 3211 . 1 1 12 DCL HD12 H -7.668 11.021 -0.369 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD12 . . . . . . . . . c34066_5mf8 1 . 20 . 3212 . 1 1 12 DCL HD13 H -7.545 12.832 -0.313 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD13 . . . . . . . . . c34066_5mf8 1 . 20 . 3213 . 1 1 12 DCL HD21 H -9.972 10.677 -3.091 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD21 . . . . . . . . . c34066_5mf8 1 . 20 . 3214 . 1 1 12 DCL HD22 H -8.970 9.894 -1.797 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD22 . . . . . . . . . c34066_5mf8 1 . 20 . 3215 . 1 1 12 DCL HD23 H -10.571 10.640 -1.379 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HD23 . . . . . . . . . c34066_5mf8 1 . 20 . 3216 . 1 1 12 DCL HG H -9.749 12.861 -1.723 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HG . . . . . . . . . c34066_5mf8 1 . 20 . 3217 . 1 1 12 DCL HN1 H -6.456 13.453 -4.756 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HN1 . . . . . . . . . c34066_5mf8 1 . 20 . 3218 . 1 1 12 DCL HXT H -7.843 16.827 -3.379 . . . 1.0 . . . . . . . . . . . . A . 12 DCL HXT . . . . . . . . . c34066_5mf8 1 . 20 . 3219 . 1 1 12 DCL N N -7.406 13.908 -4.721 . . . 1.0 . . . . . . . . . . . . A . 12 DCL N . . . . . . . . . c34066_5mf8 1 . 20 . 3220 . 1 1 12 DCL OXT O -8.527 16.083 -3.324 . . . 1.0 . . . . . . . . . . . . A . 12 DCL OXT . . . . . . . . . c34066_5mf8 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 c34066_5mf8 _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 5mf8.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34066_5mf8 1 1 5mf8.mr . . DYANA/DIANA 2 distance NOE simple 85 c34066_5mf8 1 1 5mf8.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 16 c34066_5mf8 1 1 5mf8.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34066_5mf8 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 c34066_5mf8 _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 . . . . c34066_5mf8 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB3 H . . . . . . . 3.67 . . . . . A . 3 ASN H . . A . 3 ASN HB3 . . . 3 ASN HN . . . . . 3 ASN HB3 . . c34066_5mf8 1 2 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 3.67 . . . . . A . 3 ASN H . . A . 3 ASN HB2 . . . 3 ASN HN . . . . . 3 ASN HB2 . . c34066_5mf8 1 3 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN HB3 H . . . . . . . 3.95 . . . . . A . 4 ILE H . . A . 3 ASN HB3 . . . 4 ILE HN . . . . . 3 ASN HB3 . . c34066_5mf8 1 4 1 . . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 3.95 . . . . . A . 4 ILE H . . A . 3 ASN HB2 . . . 4 ILE HN . . . . . 3 ASN HB2 . . c34066_5mf8 1 5 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HB H . . . . . . . 3.05 . . . . . A . 4 ILE H . . A . 4 ILE HB . . . 4 ILE HN . . . . . 4 ILE HB . . c34066_5mf8 1 6 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 3.61 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 LEU HN . . . . . 8 LEU HB3 . . c34066_5mf8 1 7 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.61 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 LEU HN . . . . . 8 LEU HB2 . . c34066_5mf8 1 8 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.96 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . . . 8 LEU HA . . . . . 8 LEU HB3 . . c34066_5mf8 1 9 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB2 H . . . . . . . 2.96 . . . . . A . 8 LEU HA . . A . 8 LEU HB2 . . . 8 LEU HA . . . . . 8 LEU HB2 . . c34066_5mf8 1 10 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 2.96 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU HB3 . . c34066_5mf8 1 11 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB2 H . . . . . . . 2.96 . . . . . A . 9 LEU HA . . A . 9 LEU HB2 . . . 9 LEU HA . . . . . 9 LEU HB2 . . c34066_5mf8 1 12 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 LEU H H . . . . . . . 2.83 . . . . . A . 8 LEU H . . A . 9 LEU H . . . 8 LEU HN . . . . . 9 LEU HN . . c34066_5mf8 1 13 1 . . 1 1 4 4 ILE HB H . . . 1 1 5 5 ILE H H . . . . . . . 3.27 . . . . . A . 4 ILE HB . . A . 5 ILE H . . . 4 ILE HB . . . . . 5 ILE HN . . c34066_5mf8 1 14 1 . . 1 1 9 9 LEU H H . . . 1 1 5 5 ILE HA H . . . . . . . 4.07 . . . . . A . 9 LEU H . . A . 5 ILE HA . . . 9 LEU HN . . . . . 5 ILE HA . . c34066_5mf8 1 15 1 . . 1 1 4 4 ILE H H . . . 1 1 5 5 ILE H H . . . . . . . 2.77 . . . . . A . 4 ILE H . . A . 5 ILE H . . . 4 ILE HN . . . . . 5 ILE HN . . c34066_5mf8 1 16 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HB H . . . . . . . 3.14 . . . . . A . 5 ILE H . . A . 5 ILE HB . . . 5 ILE HN . . . . . 5 ILE HB . . c34066_5mf8 1 17 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . . . 3.83 . . . . . A . 4 ILE H . . A . 4 ILE HG13 . . . 4 ILE HN . . . . . 4 ILE HG13 . . c34066_5mf8 1 18 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG12 H . . . . . . . 3.83 . . . . . A . 4 ILE H . . A . 4 ILE HG12 . . . 4 ILE HN . . . . . 4 ILE HG12 . . c34066_5mf8 1 19 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . . . 3.33 . . . . . A . 8 LEU H . . A . 8 LEU HG . . . 8 LEU HN . . . . . 8 LEU HG . . c34066_5mf8 1 20 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HG H . . . . . . . 3.21 . . . . . A . 8 LEU HA . . A . 8 LEU HG . . . 8 LEU HA . . . . . 8 LEU HG . . c34066_5mf8 1 21 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . . . 5.22 . . . . . A . 4 ILE H . . A . 4 ILE MG . . . 4 ILE HN . . . . . 4 ILE QG2 . . c34066_5mf8 1 22 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE MD H . . . . . . . 4.88 . . . . . A . 4 ILE HA . . A . 4 ILE MD . . . 4 ILE HA . . . . . 4 ILE QD1 . . c34066_5mf8 1 23 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MG H . . . . . . . 5.22 . . . . . A . 5 ILE H . . A . 5 ILE MG . . . 5 ILE HN . . . . . 5 ILE QG2 . . c34066_5mf8 1 24 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE MD H . . . . . . . 5.56 . . . . . A . 5 ILE HA . . A . 5 ILE MD . . . 5 ILE HA . . . . . 5 ILE QD1 . . c34066_5mf8 1 25 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 6.52 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 LEU HN . . . . . 8 LEU QD2 . . c34066_5mf8 1 26 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 6.52 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 LEU HN . . . . . 8 LEU QD1 . . c34066_5mf8 1 27 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.94 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . c34066_5mf8 1 28 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.94 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QD1 . . c34066_5mf8 1 29 1 OR . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB3 H . . . . . . . 3.20 . . . . . A . 3 ASN H . . A . 3 ASN HB3 . . . 3 ASN HN . . . . . 3 ASN QB . . c34066_5mf8 1 29 2 OR . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 3.20 . . . . . A . 3 ASN H . . A . 3 ASN HB2 . . . 3 ASN HN . . . . . 3 ASN QB . . c34066_5mf8 1 30 1 OR . 1 1 3 3 ASN HB2 H . . . 1 1 3 3 ASN HD21 H . . . . . . . 3.16 . . . . . A . 3 ASN HB2 . . A . 3 ASN HD21 . . . 3 ASN QB . . . . . 3 ASN QD2 . . c34066_5mf8 1 30 2 OR . 1 1 3 3 ASN HB3 H . . . 1 1 3 3 ASN HD21 H . . . . . . . 3.16 . . . . . A . 3 ASN HB3 . . A . 3 ASN HD21 . . . 3 ASN QB . . . . . 3 ASN QD2 . . c34066_5mf8 1 30 3 OR . 1 1 3 3 ASN HD22 H . . . 1 1 3 3 ASN HB3 H . . . . . . . 3.16 . . . . . A . 3 ASN HD22 . . A . 3 ASN HB3 . . . 3 ASN QD2 . . . . . 3 ASN QB . . c34066_5mf8 1 30 4 OR . 1 1 3 3 ASN HB2 H . . . 1 1 3 3 ASN HD22 H . . . . . . . 3.16 . . . . . A . 3 ASN HB2 . . A . 3 ASN HD22 . . . 3 ASN QB . . . . . 3 ASN QD2 . . c34066_5mf8 1 31 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN HB3 H . . . . . . . 3.46 . . . . . A . 4 ILE H . . A . 3 ASN HB3 . . . 4 ILE HN . . . . . 3 ASN QB . . c34066_5mf8 1 31 2 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 ASN HB2 H . . . . . . . 3.46 . . . . . A . 4 ILE H . . A . 3 ASN HB2 . . . 4 ILE HN . . . . . 3 ASN QB . . c34066_5mf8 1 32 1 OR . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG12 H . . . . . . . 2.38 . . . . . A . 4 ILE HA . . A . 4 ILE HG12 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c34066_5mf8 1 32 2 OR . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG13 H . . . . . . . 2.38 . . . . . A . 4 ILE HA . . A . 4 ILE HG13 . . . 4 ILE HA . . . . . 4 ILE QG1 . . c34066_5mf8 1 33 1 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . . . 3.60 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 ILE HN . . . . . 5 ILE QG1 . . c34066_5mf8 1 33 2 OR . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG13 H . . . . . . . 3.60 . . . . . A . 5 ILE H . . A . 5 ILE HG13 . . . 5 ILE HN . . . . . 5 ILE QG1 . . c34066_5mf8 1 34 1 OR . 1 1 5 5 ILE H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.61 . . . . . A . 5 ILE H . . A . 7 PRO HD3 . . . 5 ILE HN . . . . . 7 PRO QD . . c34066_5mf8 1 34 2 OR . 1 1 5 5 ILE H H . . . 1 1 7 7 PRO HD2 H . . . . . . . 4.61 . . . . . A . 5 ILE H . . A . 7 PRO HD2 . . . 5 ILE HN . . . . . 7 PRO QD . . c34066_5mf8 1 35 1 OR . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD3 H . . . . . . . 4.61 . . . . . A . 5 ILE HA . . A . 7 PRO HD3 . . . 5 ILE HA . . . . . 7 PRO QD . . c34066_5mf8 1 35 2 OR . 1 1 5 5 ILE HA H . . . 1 1 7 7 PRO HD2 H . . . . . . . 4.61 . . . . . A . 5 ILE HA . . A . 7 PRO HD2 . . . 5 ILE HA . . . . . 7 PRO QD . . c34066_5mf8 1 36 1 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE HG12 H . . . . . . . 2.31 . . . . . A . 5 ILE HB . . A . 5 ILE HG12 . . . 5 ILE HB . . . . . 5 ILE QG1 . . c34066_5mf8 1 36 2 OR . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE HG13 H . . . . . . . 2.31 . . . . . A . 5 ILE HB . . A . 5 ILE HG13 . . . 5 ILE HB . . . . . 5 ILE QG1 . . c34066_5mf8 1 37 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HD3 H . . . . . . . 3.76 . . . . . A . 8 LEU H . . A . 7 PRO HD3 . . . 8 LEU HN . . . . . 7 PRO QD . . c34066_5mf8 1 37 2 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 PRO HD2 H . . . . . . . 3.76 . . . . . A . 8 LEU H . . A . 7 PRO HD2 . . . 8 LEU HN . . . . . 7 PRO QD . . c34066_5mf8 1 38 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.85 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 LEU HN . . . . . 8 LEU QB . . c34066_5mf8 1 38 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 2.85 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 LEU HN . . . . . 8 LEU QB . . c34066_5mf8 1 39 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . . . 5.72 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 LEU HN . . . . . 8 LEU QQD . . c34066_5mf8 1 39 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . . . 5.72 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 LEU HN . . . . . 8 LEU QQD . . c34066_5mf8 1 40 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB3 H . . . . . . . 2.30 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . . . 8 LEU HA . . . . . 8 LEU QB . . c34066_5mf8 1 40 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB2 H . . . . . . . 2.30 . . . . . A . 8 LEU HA . . A . 8 LEU HB2 . . . 8 LEU HA . . . . . 8 LEU QB . . c34066_5mf8 1 41 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD2 H . . . . . . . 4.35 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . . . 8 LEU HA . . . . . 8 LEU QQD . . c34066_5mf8 1 41 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . . . 4.35 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . . . 8 LEU HA . . . . . 8 LEU QQD . . c34066_5mf8 1 42 1 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . . . 3.38 . . . . . A . 9 LEU H . . A . 8 LEU HB3 . . . 9 LEU HN . . . . . 8 LEU QB . . c34066_5mf8 1 42 2 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . . . 3.38 . . . . . A . 9 LEU H . . A . 8 LEU HB2 . . . 9 LEU HN . . . . . 8 LEU QB . . c34066_5mf8 1 43 1 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 2.90 . . . . . A . 9 LEU H . . A . 9 LEU HB3 . . . 9 LEU HN . . . . . 9 LEU QB . . c34066_5mf8 1 43 2 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 2.90 . . . . . A . 9 LEU H . . A . 9 LEU HB2 . . . 9 LEU HN . . . . . 9 LEU QB . . c34066_5mf8 1 44 1 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.47 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU HN . . . . . 9 LEU QQD . . c34066_5mf8 1 44 2 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.47 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU HN . . . . . 9 LEU QQD . . c34066_5mf8 1 45 1 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 2.30 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU QB . . c34066_5mf8 1 45 2 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB2 H . . . . . . . 2.30 . . . . . A . 9 LEU HA . . A . 9 LEU HB2 . . . 9 LEU HA . . . . . 9 LEU QB . . c34066_5mf8 1 46 1 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.26 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QQD . . c34066_5mf8 1 46 2 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.26 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QQD . . c34066_5mf8 1 47 1 OR . 1 1 9 9 LEU HA H . . . 1 1 11 11 PRO HD3 H . . . . . . . 4.33 . . . . . A . 9 LEU HA . . A . 11 PRO HD3 . . . 9 LEU HA . . . . . 11 PRO QD . . c34066_5mf8 1 47 2 OR . 1 1 9 9 LEU HA H . . . 1 1 11 11 PRO HD2 H . . . . . . . 4.33 . . . . . A . 9 LEU HA . . A . 11 PRO HD2 . . . 9 LEU HA . . . . . 11 PRO QD . . c34066_5mf8 1 48 1 OR . 1 1 9 9 LEU HA H . . . 1 1 12 12 DCL HB2 H . . . . . . . 4.07 . . . . . A . 9 LEU HA . . A . 12 DCL HB2 . . . 9 LEU HA . . . . . 12 DCL QB . . c34066_5mf8 1 48 2 OR . 1 1 9 9 LEU HA H . . . 1 1 12 12 DCL HB1 H . . . . . . . 4.07 . . . . . A . 9 LEU HA . . A . 12 DCL HB1 . . . 9 LEU HA . . . . . 12 DCL QB . . c34066_5mf8 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_HarzTFE25H_mod.upl' 1 1 1 41 c34066_5mf8 1 2 'peak 7' 2 49 2 59 c34066_5mf8 1 3 'peak 10' 3 49 3 59 c34066_5mf8 1 4 'peak 19' 4 49 4 59 c34066_5mf8 1 5 'peak 20' 5 49 5 59 c34066_5mf8 1 6 'peak 21' 6 49 6 59 c34066_5mf8 1 7 'peak 22' 7 49 7 59 c34066_5mf8 1 8 'peak 37' 8 49 8 59 c34066_5mf8 1 9 'peak 38' 9 49 9 59 c34066_5mf8 1 10 'peak 39' 10 49 10 59 c34066_5mf8 1 11 'peak 75' 11 49 11 59 c34066_5mf8 1 12 'peak 77' 12 49 12 59 c34066_5mf8 1 13 'peak 89' 13 49 13 59 c34066_5mf8 1 14 'peak 81' 14 49 14 59 c34066_5mf8 1 15 'peak 98' 15 49 15 59 c34066_5mf8 1 16 'peak 105' 16 49 16 59 c34066_5mf8 1 17 'peak 205' 17 49 17 59 c34066_5mf8 1 18 'peak 204' 18 49 18 59 c34066_5mf8 1 19 'peak 178' 19 49 19 59 c34066_5mf8 1 20 'peak 207' 20 49 20 59 c34066_5mf8 1 21 'peak 188' 21 49 21 59 c34066_5mf8 1 22 'peak 200' 22 49 22 59 c34066_5mf8 1 23 'peak 203' 23 49 23 59 c34066_5mf8 1 24 'peak 206' 24 49 24 59 c34066_5mf8 1 25 'peak 208' 25 49 25 59 c34066_5mf8 1 26 'peak 209' 26 49 26 59 c34066_5mf8 1 27 'peak 261' 27 49 27 59 c34066_5mf8 1 28 'peak 40' 28 49 28 59 c34066_5mf8 1 29 'peak 41' 29 49 29 59 c34066_5mf8 1 30 'peak 76' 30 49 30 59 c34066_5mf8 1 31 'peak 90' 31 49 31 59 c34066_5mf8 1 32 'peak 176' 32 49 32 59 c34066_5mf8 1 33 'peak 177' 33 49 33 59 c34066_5mf8 1 34 'peak 194' 34 49 34 59 c34066_5mf8 1 35 'peak 195' 35 49 35 59 c34066_5mf8 1 36 'peak 34' 36 49 36 59 c34066_5mf8 1 37 'peak 42' 37 49 37 59 c34066_5mf8 1 38 'peak 47' 38 49 38 59 c34066_5mf8 1 39 'peak 59' 39 49 39 59 c34066_5mf8 1 40 'peak 61' 40 49 40 59 c34066_5mf8 1 41 'peak 78' 41 49 41 59 c34066_5mf8 1 42 'peak 79' 42 49 42 59 c34066_5mf8 1 43 'peak 100' 43 49 43 59 c34066_5mf8 1 44 'peak 104' 44 49 44 59 c34066_5mf8 1 45 'peak 181' 45 49 45 59 c34066_5mf8 1 46 'peak 182' 46 49 46 59 c34066_5mf8 1 47 'peak 185' 47 49 47 59 c34066_5mf8 1 48 'peak 186' 48 49 48 59 c34066_5mf8 1 49 'peak 191' 49 49 49 59 c34066_5mf8 1 50 'peak 193' 50 49 50 59 c34066_5mf8 1 51 'peak 201' 51 49 51 59 c34066_5mf8 1 52 'peak 202' 52 49 52 59 c34066_5mf8 1 53 'peak 211' 53 49 53 59 c34066_5mf8 1 54 'peak 263' 54 49 54 59 c34066_5mf8 1 55 'peak 277' 55 49 55 59 c34066_5mf8 1 56 'peak 7' 56 49 56 59 c34066_5mf8 1 57 'peak 14' 57 49 57 59 c34066_5mf8 1 58 'peak 37' 58 49 58 59 c34066_5mf8 1 59 'peak 44' 59 49 59 59 c34066_5mf8 1 60 'peak 58' 60 49 60 59 c34066_5mf8 1 61 'peak 199' 61 49 61 59 c34066_5mf8 1 62 'peak 112' 62 49 62 59 c34066_5mf8 1 63 'peak 66' 63 49 63 59 c34066_5mf8 1 64 'peak 179' 64 49 64 59 c34066_5mf8 1 65 'peak 176' 65 49 65 59 c34066_5mf8 1 66 'peak 107' 66 49 66 59 c34066_5mf8 1 67 'peak 75' 67 49 67 59 c34066_5mf8 1 68 'peak 78' 68 49 68 59 c34066_5mf8 1 69 'peak 89' 69 49 69 59 c34066_5mf8 1 70 'peak 80' 70 49 70 59 c34066_5mf8 1 71 'peak 95' 71 49 71 59 c34066_5mf8 1 72 'peak 96' 72 49 72 59 c34066_5mf8 1 73 'peak 94' 73 49 73 59 c34066_5mf8 1 74 'peak 98' 74 49 74 59 c34066_5mf8 1 75 'peak 104' 75 49 75 59 c34066_5mf8 1 76 'peak 210' 76 49 76 59 c34066_5mf8 1 77 'peak 279' 77 49 77 59 c34066_5mf8 1 78 'peak 192' 78 49 78 59 c34066_5mf8 1 79 'peak 195' 79 49 79 59 c34066_5mf8 1 80 'peak 213' 80 49 80 59 c34066_5mf8 1 81 'peak 189' 81 49 81 59 c34066_5mf8 1 82 'peak 190' 82 49 82 59 c34066_5mf8 1 83 'peak 141' 83 49 83 59 c34066_5mf8 1 84 'peak 21' 84 49 84 59 c34066_5mf8 1 85 'peak 20' 85 49 85 59 c34066_5mf8 1 86 'peak 31' 86 49 86 59 c34066_5mf8 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) ' .12.HN' (nmrStar names),' .12.HB13' (nmrStar names) not linked" c34066_5mf8 1 2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.HB12' (nmrStar names) not linked" c34066_5mf8 1 3 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.HB3' (nmrStar names) not linked" c34066_5mf8 1 4 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 5 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 6 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 7 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 8 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 9 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" c34066_5mf8 1 10 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 11 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 12 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 13 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 14 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 15 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34066_5mf8 1 16 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 17 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34066_5mf8 1 18 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .1.Q1' (nmrStar names) not linked" c34066_5mf8 1 19 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34066_5mf8 1 20 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .12.HN' (nmrStar names),' .10.QB1' (nmrStar names) not linked" c34066_5mf8 1 21 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .10.HN' (nmrStar names),' .6.QB2' (nmrStar names) not linked" c34066_5mf8 1 22 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34066_5mf8 1 23 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .2.QB2' (nmrStar names) not linked" c34066_5mf8 1 24 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .6.QB1' (nmrStar names) not linked" c34066_5mf8 1 25 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .6.QB2' (nmrStar names) not linked" c34066_5mf8 1 26 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .2.QB1' (nmrStar names) not linked" c34066_5mf8 1 27 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 28 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 29 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 30 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c34066_5mf8 1 31 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 32 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 33 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 34 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .10.HN' (nmrStar names) not linked" c34066_5mf8 1 35 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34066_5mf8 1 36 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .10.QB2' (nmrStar names) not linked" c34066_5mf8 1 37 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 38 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 39 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 40 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 41 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 42 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 43 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 44 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .12.HN' (nmrStar names) not linked" c34066_5mf8 1 45 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .12.HN' (nmrStar names),' .12.QB1' (nmrStar names) not linked" c34066_5mf8 1 46 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .12.QB1' (nmrStar names) not linked" c34066_5mf8 1 47 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .12.QB1' (nmrStar names) not linked" c34066_5mf8 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 c34066_5mf8 _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 . . . . c34066_5mf8 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . 1 1 2 2 ABA C C . . 1 1 3 3 ASN N N . . 1 1 3 3 ASN CA C . . 1 1 3 3 ASN C C . -79.3 -39.3 . . . A . 2 AIB C . . A . 3 ASN N . . A . 3 ASN CA . . A . 3 ASN C . . . 3 ASN . . . . . . 3 ASN . . . . . . 3 ASN . . . . . . 3 ASN . . . c34066_5mf8 1 2 PSI . 1 1 3 3 ASN N N . . 1 1 3 3 ASN CA C . . 1 1 3 3 ASN C C . . 1 1 4 4 ILE N N . -59.9 -19.9 . . . A . 3 ASN N . . A . 3 ASN CA . . A . 3 ASN C . . A . 4 ILE N . . . 3 ASN . . . . . . 3 ASN . . . . . . 3 ASN . . . . . . 3 ASN . . . c34066_5mf8 1 3 PHI . 1 1 3 3 ASN C C . . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . -102.5 -45.8 . . . A . 3 ASN C . . A . 4 ILE N . . A . 4 ILE CA . . A . 4 ILE C . . . 4 ILE . . . . . . 4 ILE . . . . . . 4 ILE . . . . . . 4 ILE . . . c34066_5mf8 1 4 PSI . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . . 1 1 5 5 ILE N N . -60.1 -16.7 . . . A . 4 ILE N . . A . 4 ILE CA . . A . 4 ILE C . . A . 5 ILE N . . . 4 ILE . . . . . . 4 ILE . . . . . . 4 ILE . . . . . . 4 ILE . . . c34066_5mf8 1 5 PHI . 1 1 4 4 ILE C C . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . -85.0 -44.2 . . . A . 4 ILE C . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . . 5 ILE . . . . . . 5 ILE . . . . . . 5 ILE . . . . . . 5 ILE . . . c34066_5mf8 1 6 PSI . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . . 1 1 6 6 ABA N N . -63.8 -23.8 . . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . A . 6 AIB N . . . 5 ILE . . . . . . 5 ILE . . . . . . 5 ILE . . . . . . 5 ILE . . . c34066_5mf8 1 7 PSI . 1 1 7 7 PRO N N . . 1 1 7 7 PRO CA C . . 1 1 7 7 PRO C C . . 1 1 8 8 LEU N N . -55.2 -13.4 . . . A . 7 PRO N . . A . 7 PRO CA . . A . 7 PRO C . . A . 8 LEU N . . . 7 PRO . . . . . . 7 PRO . . . . . . 7 PRO . . . . . . 7 PRO . . . c34066_5mf8 1 8 PHI . 1 1 7 7 PRO C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . -96.0 -40.6 . . . A . 7 PRO C . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . c34066_5mf8 1 9 PSI . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . . 1 1 9 9 LEU N N . -57.4 -9.4 . . . A . 8 LEU N . . A . 8 LEU CA . . A . 8 LEU C . . A . 9 LEU N . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . . . . 8 LEU . . . c34066_5mf8 1 10 PHI . 1 1 8 8 LEU C C . . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU C C . -110.8 -70.8 . . . A . 8 LEU C . . A . 9 LEU N . . A . 9 LEU CA . . A . 9 LEU C . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . c34066_5mf8 1 11 PSI . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU C C . . 1 1 10 10 ABA N N . -50.6 19.9 . . . A . 9 LEU N . . A . 9 LEU CA . . A . 9 LEU C . . A . 10 AIB N . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . c34066_5mf8 1 12 PSI . 1 1 11 11 PRO N N . . 1 1 11 11 PRO CA C . . 1 1 11 11 PRO C C . . 1 1 12 12 DCL N N . -59.2 2.3 . . . A . 11 PRO N . . A . 11 PRO CA . . A . 11 PRO C . . A . 12 DCL N . . . 11 PRO . . . . . . 11 PRO . . . . . . 11 PRO . . . . . . 11 PRO . . . c34066_5mf8 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_HarzTFE25H.aco' 1 1 1 37 c34066_5mf8 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 c34066_5mf8 _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 5MF8 *TITLE NMR SOLUTION STRUCTURE OF HARZIANIN HK-VI IN TRIFLUOROETHANOL *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 5MF8 0' save_