data_c30414_6civ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30414_6civ _Entry.Title ; Lactam cyclised mimetic of a fragment of p21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-25 _Entry.Accession_date 2018-02-25 _Entry.Last_release_date 2018-04-25 _Entry.Original_release_date 2018-04-25 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' c30414_6civ stop_ 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 K. Wegener K. L. . . c30414_6civ stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . c30414_6civ 'PIP-box motif' . c30414_6civ constrained . c30414_6civ p21 . c30414_6civ peptidomimetic . c30414_6civ stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30414_6civ spectral_peak_list 1 c30414_6civ stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 91 c30414_6civ 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 . . 2018-06-25 . original BMRB . c30414_6civ stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CIV . c30414_6civ stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30414_6civ _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29917264 _Citation.Full_citation . _Citation.Title ; Rational design of a 310-helical PIP-box mimetic targeting PCNA - the human sliding clamp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _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 2018 _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 K. Wegener K. L. . . c30414_6civ 1 2 A. McGrath A. E. . . c30414_6civ 1 3 N. Dixon N. E. . . c30414_6civ 1 4 A. Oakley A. J. . . c30414_6civ 1 5 D. Scanlon D. B. . . c30414_6civ 1 6 A. Abell A. D. . . c30414_6civ 1 7 J. Bruning J. B. . . c30414_6civ 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30414_6civ _Assembly.ID 1 _Assembly.Name p21 _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 C yes . . . . . . c30414_6civ 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30414_6civ _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 C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GRKRRQXSMTEFYH ; _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 14 _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 1801.061 _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 1 139 GLY . c30414_6civ 1 2 140 ARG . c30414_6civ 1 3 141 LYS . c30414_6civ 1 4 142 ARG . c30414_6civ 1 5 143 ARG . c30414_6civ 1 6 144 GLN . c30414_6civ 1 7 145 DAB . c30414_6civ 1 8 146 SER . c30414_6civ 1 9 147 MET . c30414_6civ 1 10 148 THR . c30414_6civ 1 11 149 GLU . c30414_6civ 1 12 150 PHE . c30414_6civ 1 13 151 TYR . c30414_6civ 1 14 152 HIS . c30414_6civ 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 . GLY 1 1 c30414_6civ 1 . ARG 2 2 c30414_6civ 1 . LYS 3 3 c30414_6civ 1 . ARG 4 4 c30414_6civ 1 . ARG 5 5 c30414_6civ 1 . GLN 6 6 c30414_6civ 1 . DAB 7 7 c30414_6civ 1 . SER 8 8 c30414_6civ 1 . MET 9 9 c30414_6civ 1 . THR 10 10 c30414_6civ 1 . GLU 11 11 c30414_6civ 1 . PHE 12 12 c30414_6civ 1 . TYR 13 13 c30414_6civ 1 . HIS 14 14 c30414_6civ 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 c30414_6civ _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c30414_6civ 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 c30414_6civ _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' . . . . . . . . . . . . . . . . c30414_6civ 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DAB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAB _Chem_comp.Entry_ID c30414_6civ _Chem_comp.ID DAB _Chem_comp.Provenance PDB _Chem_comp.Name '2,4-DIAMINOBUTYRIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code DAB _Chem_comp.PDB_code DAB _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 DAB _Chem_comp.Number_atoms_all 18 _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/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID 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 H10 N2 O2' _Chem_comp.Formula_weight 118.134 _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 1B4H _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CN)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30414_6civ DAB C(CN)[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30414_6civ DAB InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 InChI InChI 1.03 c30414_6civ DAB NCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30414_6civ DAB NCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30414_6civ DAB O=C(O)C(N)CCN SMILES ACDLabs 10.04 c30414_6civ DAB OGNSCSPNOLGXSM-VKHMYHEASA-N InChIKey InChI 1.03 c30414_6civ DAB 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)-2,4-diaminobutanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 c30414_6civ DAB '(2S)-2,4-diaminobutanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30414_6civ DAB 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 . . . . 5.023 . 19.617 . 15.440 . -1.730 0.370 -0.144 1 . c30414_6civ DAB CA CA CA CA . C . . S 0 . . . 1 no no . . . . 3.913 . 20.238 . 16.167 . -0.275 0.523 -0.275 2 . c30414_6civ DAB C C C C . C . . N 0 . . . 1 no no . . . . 2.618 . 20.237 . 15.378 . 0.171 -0.036 -1.601 3 . c30414_6civ DAB O O O O . O . . N 0 . . . 1 no no . . . . 2.614 . 20.486 . 14.180 . -0.437 -0.949 -2.107 4 . c30414_6civ DAB CB CB CB CB . C . . N 0 . . . 1 no no . . . . 4.246 . 21.725 . 16.419 . 0.421 -0.231 0.857 5 . c30414_6civ DAB CG CG CG CG . C . . N 0 . . . 1 no no . . . . 5.328 . 21.739 . 17.514 . -0.032 0.337 2.203 6 . c30414_6civ DAB ND ND ND ND . N . . N 0 . . . 1 no no . . . . 4.895 . 21.609 . 18.856 . 0.636 -0.388 3.292 7 . c30414_6civ DAB OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 1.527 . 19.883 . 16.072 . 1.245 0.479 -2.220 8 . c30414_6civ DAB H H H 1HN . H . . N 0 . . . 1 no no . . . . 5.894 . 19.617 . 15.970 . -1.969 0.660 0.791 9 . c30414_6civ DAB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 5.151 . 20.054 . 14.527 . -1.923 -0.618 -0.200 10 . c30414_6civ DAB HA HA HA HA . H . . N 0 . . . 1 no no . . . . 3.782 . 19.647 . 17.103 . -0.015 1.581 -0.221 11 . c30414_6civ DAB HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 4.540 . 22.277 . 15.496 . 1.500 -0.117 0.760 12 . c30414_6civ DAB HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 3.353 . 22.344 . 16.668 . 0.161 -1.288 0.803 13 . c30414_6civ DAB HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 6.088 . 20.954 . 17.292 . -1.112 0.223 2.301 14 . c30414_6civ DAB HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 5.945 . 22.661 . 17.412 . 0.227 1.394 2.257 15 . c30414_6civ DAB HD1 HD1 HD1 1HD . H . . N 0 . . . 1 no no . . . . 5.611 . 21.618 . 19.581 . 0.309 0.018 4.155 16 . c30414_6civ DAB HD2 HD2 HD2 2HD . H . . N 0 . . . 1 no no . . . . 4.329 . 20.765 . 18.949 . 0.288 -1.334 3.266 17 . c30414_6civ DAB HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 0.715 . 19.882 . 15.577 . 1.531 0.120 -3.071 18 . c30414_6civ DAB 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 . c30414_6civ DAB 2 . SING N H no N 2 . c30414_6civ DAB 3 . SING N H2 no N 3 . c30414_6civ DAB 4 . SING CA C no N 4 . c30414_6civ DAB 5 . SING CA CB no N 5 . c30414_6civ DAB 6 . SING CA HA no N 6 . c30414_6civ DAB 7 . DOUB C O no N 7 . c30414_6civ DAB 8 . SING C OXT no N 8 . c30414_6civ DAB 9 . SING CB CG no N 9 . c30414_6civ DAB 10 . SING CB HB2 no N 10 . c30414_6civ DAB 11 . SING CB HB3 no N 11 . c30414_6civ DAB 12 . SING CG ND no N 12 . c30414_6civ DAB 13 . SING CG HG2 no N 13 . c30414_6civ DAB 14 . SING CG HG3 no N 14 . c30414_6civ DAB 15 . SING ND HD1 no N 15 . c30414_6civ DAB 16 . SING ND HD2 no N 16 . c30414_6civ DAB 17 . SING OXT HXT no N 17 . c30414_6civ DAB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30414_6civ _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mM NA ACR2, 0.1 mM NA DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACR2 'natural abundance' . . 1 $entity_1 . . 1.3 . . mM 0.05 . . . c30414_6civ 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . c30414_6civ 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 c30414_6civ _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 . M c30414_6civ 1 pH 5.95 0.01 pH c30414_6civ 1 pressure 1 . atm c30414_6civ 1 temperature 298 0.1 K c30414_6civ 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30414_6civ _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . c30414_6civ 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30414_6civ 1 'structure calculation' c30414_6civ 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30414_6civ _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30414_6civ 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30414_6civ 2 'peak picking' c30414_6civ 2 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 c30414_6civ _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 c30414_6civ _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 Varian INOVA . 600 . . . c30414_6civ 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 c30414_6civ _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30414_6civ 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30414_6civ 1 3 '2D COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30414_6civ 1 4 '1D 1H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30414_6civ 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 c30414_6civ _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . c30414_6civ 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 c30414_6civ _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 NOESY' . . . c30414_6civ 1 2 '2D TOCSY' . . . c30414_6civ 1 3 '2D COSY' . . . c30414_6civ 1 4 '1D 1H' . . . c30414_6civ 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 2 2 ARG HA H 1 4.365 0.005 . 1 . . 79 . C 140 ARG HA . c30414_6civ 1 2 . 1 1 2 2 ARG HB2 H 1 1.830 0.007 . 2 . . 78 . C 140 ARG HB2 . c30414_6civ 1 3 . 1 1 2 2 ARG HB3 H 1 1.747 0.0 . 2 . . 80 . C 140 ARG HB3 . c30414_6civ 1 4 . 1 1 2 2 ARG HG2 H 1 1.637 0.004 . 1 . . 82 . C 140 ARG HG2 . c30414_6civ 1 5 . 1 1 2 2 ARG HG3 H 1 1.637 0.004 . 1 . . 81 . C 140 ARG HG3 . c30414_6civ 1 6 . 1 1 2 2 ARG HD2 H 1 3.197 0.001 . 1 . . 83 . C 140 ARG HD2 . c30414_6civ 1 7 . 1 1 2 2 ARG HD3 H 1 3.197 0.001 . 1 . . 84 . C 140 ARG HD3 . c30414_6civ 1 8 . 1 1 3 3 LYS H H 1 8.523 0.002 . 1 . . 48 . C 141 LYS H . c30414_6civ 1 9 . 1 1 3 3 LYS HA H 1 4.320 0.003 . 1 . . 70 . C 141 LYS HA . c30414_6civ 1 10 . 1 1 3 3 LYS HB2 H 1 1.769 0.001 . 1 . . 73 . C 141 LYS HB2 . c30414_6civ 1 11 . 1 1 3 3 LYS HB3 H 1 1.769 0.001 . 1 . . 72 . C 141 LYS HB3 . c30414_6civ 1 12 . 1 1 3 3 LYS HG2 H 1 1.443 0.004 . 1 . . 76 . C 141 LYS HG2 . c30414_6civ 1 13 . 1 1 3 3 LYS HG3 H 1 1.443 0.004 . 1 . . 77 . C 141 LYS HG3 . c30414_6civ 1 14 . 1 1 3 3 LYS HD2 H 1 1.675 0.003 . 1 . . 74 . C 141 LYS HD2 . c30414_6civ 1 15 . 1 1 3 3 LYS HD3 H 1 1.675 0.003 . 1 . . 75 . C 141 LYS HD3 . c30414_6civ 1 16 . 1 1 3 3 LYS HE2 H 1 3.000 0.002 . 1 . . 71 . C 141 LYS HE2 . c30414_6civ 1 17 . 1 1 3 3 LYS HE3 H 1 3.000 0.002 . 1 . . 69 . C 141 LYS HE3 . c30414_6civ 1 18 . 1 1 4 4 ARG H H 1 8.487 0.001 . 1 . . 40 . C 142 ARG H . c30414_6civ 1 19 . 1 1 4 4 ARG HA H 1 4.323 . . 1 . . 30 . C 142 ARG HA . c30414_6civ 1 20 . 1 1 4 4 ARG HB2 H 1 1.808 . . 2 . . 85 . C 142 ARG HB2 . c30414_6civ 1 21 . 1 1 4 4 ARG HB3 H 1 1.744 0.0 . 2 . . 86 . C 142 ARG HB3 . c30414_6civ 1 22 . 1 1 4 4 ARG HG2 H 1 1.619 . . 1 . . 88 . C 142 ARG HG2 . c30414_6civ 1 23 . 1 1 4 4 ARG HG3 H 1 1.619 0.0 . 1 . . 87 . C 142 ARG HG3 . c30414_6civ 1 24 . 1 1 5 5 ARG H H 1 8.488 0.002 . 1 . . 47 . C 143 ARG H . c30414_6civ 1 25 . 1 1 5 5 ARG HA H 1 4.306 0.009 . 1 . . 18 . C 143 ARG HA . c30414_6civ 1 26 . 1 1 5 5 ARG HB2 H 1 1.813 0.003 . 2 . . 19 . C 143 ARG HB2 . c30414_6civ 1 27 . 1 1 5 5 ARG HB3 H 1 1.747 0.01 . 2 . . 20 . C 143 ARG HB3 . c30414_6civ 1 28 . 1 1 5 5 ARG HG2 H 1 1.615 0.003 . 1 . . 21 . C 143 ARG HG2 . c30414_6civ 1 29 . 1 1 5 5 ARG HG3 H 1 1.616 0.003 . 1 . . 31 . C 143 ARG HG3 . c30414_6civ 1 30 . 1 1 5 5 ARG HD2 H 1 3.186 . . 1 . . 33 . C 143 ARG HD2 . c30414_6civ 1 31 . 1 1 5 5 ARG HD3 H 1 3.186 . . 1 . . 32 . C 143 ARG HD3 . c30414_6civ 1 32 . 1 1 6 6 GLN H H 1 8.549 0.003 . 1 . . 25 . C 144 GLN H . c30414_6civ 1 33 . 1 1 6 6 GLN HA H 1 4.327 0.02 . 1 . . 29 . C 144 GLN HA . c30414_6civ 1 34 . 1 1 6 6 GLN HB2 H 1 2.044 0.006 . 2 . . 26 . C 144 GLN HB2 . c30414_6civ 1 35 . 1 1 6 6 GLN HB3 H 1 1.940 0.011 . 2 . . 27 . C 144 GLN HB3 . c30414_6civ 1 36 . 1 1 6 6 GLN HG2 H 1 2.341 0.005 . 1 . . 24 . C 144 GLN HG2 . c30414_6civ 1 37 . 1 1 6 6 GLN HG3 H 1 2.341 0.005 . 1 . . 28 . C 144 GLN HG3 . c30414_6civ 1 38 . 1 1 6 6 GLN HE21 H 1 6.894 0.001 . 1 . . 2 . C 144 GLN HE21 . c30414_6civ 1 39 . 1 1 6 6 GLN HE22 H 1 7.546 0.002 . 1 . . 3 . C 144 GLN HE22 . c30414_6civ 1 40 . 1 1 7 7 DAB H H 1 8.467 0.004 . 1 . . 42 . C 145 DAB H . c30414_6civ 1 41 . 1 1 7 7 DAB HA H 1 4.415 0.006 . 1 . . 43 . C 145 DAB HA . c30414_6civ 1 42 . 1 1 7 7 DAB HB2 H 1 2.032 0.006 . 1 . . 11 . C 145 DAB HB3 . c30414_6civ 1 43 . 1 1 7 7 DAB HB3 H 1 2.032 0.006 . 1 . . 12 . C 145 DAB HB3 . c30414_6civ 1 44 . 1 1 7 7 DAB HD1 H 1 7.882 0.003 . 1 . . 15 . C 145 DAB HD1 . c30414_6civ 1 45 . 1 1 7 7 DAB HG2 H 1 3.328 0.004 . 2 . . 13 . C 145 DAB HG3 . c30414_6civ 1 46 . 1 1 7 7 DAB HG3 H 1 3.319 0.023 . 2 . . 14 . C 145 DAB HG3 . c30414_6civ 1 47 . 1 1 8 8 SER H H 1 8.703 0.004 . 1 . . 38 . C 146 SER H . c30414_6civ 1 48 . 1 1 8 8 SER HA H 1 4.399 0.005 . 1 . . 66 . C 146 SER HA . c30414_6civ 1 49 . 1 1 8 8 SER HB2 H 1 4.045 0.011 . 2 . . 67 . C 146 SER HB2 . c30414_6civ 1 50 . 1 1 8 8 SER HB3 H 1 3.842 0.006 . 2 . . 68 . C 146 SER HB3 . c30414_6civ 1 51 . 1 1 9 9 MET H H 1 8.842 0.002 . 1 . . 37 . C 147 MET H . c30414_6civ 1 52 . 1 1 9 9 MET HA H 1 4.554 0.002 . 1 . . 61 . C 147 MET HA . c30414_6civ 1 53 . 1 1 9 9 MET HB2 H 1 2.244 0.002 . 1 . . 64 . C 147 MET HB2 . c30414_6civ 1 54 . 1 1 9 9 MET HB3 H 1 2.244 0.002 . 1 . . 65 . C 147 MET HB3 . c30414_6civ 1 55 . 1 1 9 9 MET HG2 H 1 2.775 . . 2 . . 62 . C 147 MET HG2 . c30414_6civ 1 56 . 1 1 9 9 MET HG3 H 1 2.700 . . 2 . . 63 . C 147 MET HG3 . c30414_6civ 1 57 . 1 1 10 10 THR H H 1 7.893 0.005 . 1 . . 44 . C 148 THR H . c30414_6civ 1 58 . 1 1 10 10 THR HA H 1 4.025 0.003 . 1 . . 45 . C 148 THR HA . c30414_6civ 1 59 . 1 1 10 10 THR HB H 1 4.224 0.005 . 1 . . 49 . C 148 THR HB . c30414_6civ 1 60 . 1 1 10 10 THR HG21 H 1 1.179 0.004 . 1 . . 50 . C 148 THR HG21 . c30414_6civ 1 61 . 1 1 10 10 THR HG22 H 1 1.179 0.004 . 1 . . 50 . C 148 THR HG22 . c30414_6civ 1 62 . 1 1 10 10 THR HG23 H 1 1.179 0.004 . 1 . . 50 . C 148 THR HG23 . c30414_6civ 1 63 . 1 1 11 11 GLU H H 1 7.658 0.003 . 1 . . 56 . C 149 GLU H . c30414_6civ 1 64 . 1 1 11 11 GLU HA H 1 4.203 0.005 . 1 . . 55 . C 149 GLU HA . c30414_6civ 1 65 . 1 1 11 11 GLU HB2 H 1 1.779 0.002 . 2 . . 57 . C 149 GLU HB2 . c30414_6civ 1 66 . 1 1 11 11 GLU HB3 H 1 1.714 0.002 . 2 . . 58 . C 149 GLU HB3 . c30414_6civ 1 67 . 1 1 11 11 GLU HG2 H 1 1.979 0.005 . 2 . . 59 . C 149 GLU HG2 . c30414_6civ 1 68 . 1 1 11 11 GLU HG3 H 1 1.362 0.003 . 2 . . 60 . C 149 GLU HG3 . c30414_6civ 1 69 . 1 1 12 12 PHE H H 1 7.735 0.003 . 1 . . 9 . C 150 PHE H . c30414_6civ 1 70 . 1 1 12 12 PHE HA H 1 4.667 0.001 . 1 . . 10 . C 150 PHE HA . c30414_6civ 1 71 . 1 1 12 12 PHE HB2 H 1 2.806 0.005 . 2 . . 4 . C 150 PHE HB2 . c30414_6civ 1 72 . 1 1 12 12 PHE HB3 H 1 3.189 0.005 . 2 . . 6 . C 150 PHE HB3 . c30414_6civ 1 73 . 1 1 12 12 PHE HD1 H 1 7.248 0.001 . 1 . . 5 . C 150 PHE HD1 . c30414_6civ 1 74 . 1 1 12 12 PHE HD2 H 1 7.248 0.001 . 1 . . 5 . C 150 PHE HD2 . c30414_6civ 1 75 . 1 1 12 12 PHE HE1 H 1 7.287 0.005 . 1 . . 7 . C 150 PHE HE1 . c30414_6civ 1 76 . 1 1 12 12 PHE HE2 H 1 7.287 0.005 . 1 . . 7 . C 150 PHE HE2 . c30414_6civ 1 77 . 1 1 12 12 PHE HZ H 1 7.195 0.001 . 1 . . 8 . C 150 PHE HZ . c30414_6civ 1 78 . 1 1 13 13 TYR H H 1 7.882 0.005 . 1 . . 52 . C 151 TYR H . c30414_6civ 1 79 . 1 1 13 13 TYR HA H 1 4.633 0.002 . 1 . . 54 . C 151 TYR HA . c30414_6civ 1 80 . 1 1 13 13 TYR HB2 H 1 3.069 0.004 . 2 . . 51 . C 151 TYR HB2 . c30414_6civ 1 81 . 1 1 13 13 TYR HB3 H 1 2.917 0.005 . 2 . . 53 . C 151 TYR HB3 . c30414_6civ 1 82 . 1 1 13 13 TYR HD1 H 1 7.106 0.005 . 1 . . 35 . C 151 TYR HD1 . c30414_6civ 1 83 . 1 1 13 13 TYR HD2 H 1 7.106 0.005 . 1 . . 35 . C 151 TYR HD2 . c30414_6civ 1 84 . 1 1 13 13 TYR HE1 H 1 6.811 0.004 . 1 . . 34 . C 151 TYR HE1 . c30414_6civ 1 85 . 1 1 13 13 TYR HE2 H 1 6.811 0.004 . 1 . . 34 . C 151 TYR HE2 . c30414_6civ 1 86 . 1 1 14 14 HIS H H 1 7.943 0.003 . 1 . . 41 . C 152 HIS H . c30414_6civ 1 87 . 1 1 14 14 HIS HA H 1 4.432 0.009 . 1 . . 46 . C 152 HIS HA . c30414_6civ 1 88 . 1 1 14 14 HIS HB2 H 1 3.231 0.008 . 2 . . 16 . C 152 HIS HB2 . c30414_6civ 1 89 . 1 1 14 14 HIS HB3 H 1 3.098 0.002 . 2 . . 17 . C 152 HIS HB3 . c30414_6civ 1 90 . 1 1 14 14 HIS HD2 H 1 7.206 0.003 . 1 . . 36 . C 152 HIS HD2 . c30414_6civ 1 91 . 1 1 14 14 HIS HE1 H 1 8.530 0.001 . 1 . . 1 . C 152 HIS HE1 . c30414_6civ 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c30414_6civ _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Merit Details Fit Method Vol. Method 1 89 4.31171 1.81569 143ArgHa 143ArgHbb -9.18391e-05 -7.79473e-04 30.83566 27.28173 1.00000 None parabolic box sum 2 90 4.30640 1.76259 143ArgHa 143ArgHba -5.71181e-05 -4.57379e-04 33.67433 60.36747 1.00000 None parabolic box sum 3 98 4.29722 1.61324 143ArgHa 143ArgHg* -1.97367e-05 -1.29278e-04 29.31402 15.01808 1.00000 None parabolic box sum 4 244 1.73734 8.54238 143ArgHba 144GlnH -1.93783e-05 -1.60074e-04 85.95849 68.31409 1.00000 None parabolic box sum 5 243 1.81331 8.54823 143ArgHbb 144GlnH -1.93879e-05 -1.51496e-04 45.50700 57.57751 1.00000 None parabolic box sum 6 146 4.34181 8.46408 144GlnHa 145DabH -3.93933e-04 -0.00278 34.24172 28.40018 1.00000 None parabolic box sum 7 225 4.33428 2.04286 144GlnHa 144GlnHbb -3.42841e-05 -2.75511e-04 19.97271 18.47916 1.00000 None parabolic box sum 8 116 1.92803 8.55013 144GlnHba 144GlnH -5.89841e-05 -4.25670e-04 35.11459 13.72540 1.00000 None parabolic box sum 9 56 6.89431 7.54537 144GlnHe2a 144GlnHe2b -0.00331 -0.02252 26.96365 14.02658 1.00000 None parabolic box sum 10 214 7.54143 6.89456 144GlnHe2b 144GlnHe2a -0.00325 -0.02169 28.52713 13.16718 1.00000 None parabolic box sum 11 112 2.34477 8.55096 144GlnHg* 144GlnH -1.56660e-05 -8.49605e-05 36.77893 9.76026 1.00000 None parabolic box sum 12 235 2.33538 1.95314 144GlnHg* 144GlnHba -1.10824e-04 -9.14750e-04 27.30237 21.01064 1.00000 None parabolic box sum 13 236 2.34069 2.05270 144GlnHg* 144GlnHbb -1.35434e-04 -0.00112 29.14266 24.15478 1.00000 None parabolic box sum 14 190 8.45994 3.32983 145DabH 145DabHgb -3.23791e-05 -2.42751e-04 28.04886 35.43267 1.00000 None parabolic box sum 15 199 8.46259 2.03854 145DabH 145DabHb* -4.35878e-05 -3.40745e-04 29.01371 39.48292 1.00000 None parabolic box sum 16 71 4.42447 8.46594 145DabHa 145DabH -7.06955e-05 -5.23403e-04 91.49198 14.67363 1.00000 None parabolic box sum 17 75 4.41532 7.88391 145DabHa 145DabHd1 -6.30059e-05 -4.81727e-04 32.58483 19.57841 1.00000 None parabolic box sum 18 80 4.40945 3.33463 145DabHa 145DabHgb -3.69880e-05 -3.18959e-04 23.38909 18.06422 1.00000 None parabolic box sum 19 81 4.41133 3.34027 145DabHa 145DabHga -5.22552e-05 -3.40917e-04 24.29119 14.50800 1.00000 None parabolic box sum 20 223 4.40994 2.04020 145DabHa 145DabHb* -8.29367e-05 -6.79927e-04 27.78207 36.13704 1.00000 None parabolic box sum 21 74 2.03302 8.46473 145DabHb* 145DabH -1.64739e-04 -0.00123 43.90799 15.78262 1.00000 None parabolic box sum 22 78 2.02654 7.88071 145DabHb* 145DabHd1 -1.67266e-04 -0.00130 70.35182 14.86104 1.00000 None parabolic box sum 23 240 2.03065 3.32987 145DabHb* 145DabHg* -3.23993e-04 -0.00271 46.60797 26.96365 1.00000 None parabolic box sum 24 242 2.02566 8.70018 145DabHb* 146SerH -1.52035e-05 -1.33570e-04 48.80073 22.98418 1.00000 None parabolic box sum 25 183 7.88313 8.70777 145DabHd1 146SerH -2.04642e-05 -1.44360e-04 28.39789 14.03861 1.00000 None parabolic box sum 26 189 7.88120 3.33115 145DabHd1 145DabHgb -2.06619e-04 -0.00166 28.52340 25.51365 1.00000 None parabolic box sum 27 196 7.88385 2.04253 145DabHd1 145DabHb* -6.57587e-05 -5.49663e-04 29.44097 71.25621 1.00000 None parabolic box sum 28 201 7.88385 1.71334 145DabHd1 149GluHba -3.04738e-05 -2.43166e-04 26.34210 29.93357 1.00000 None parabolic box sum 29 234 3.32583 2.02833 145DabHg* 145DabHb* -2.31382e-04 -0.00201 33.24392 42.00122 1.00000 None parabolic box sum 30 73 3.32521 8.47160 145DabHga 145DabH -7.39212e-05 -5.57268e-04 37.53889 15.80411 1.00000 None parabolic box sum 31 77 3.27923 7.88071 145DabHga 145DabHd1 -3.84972e-05 -2.85056e-04 76.35240 10.64745 1.00000 None parabolic box sum 32 72 3.32333 8.46972 145DabHgb 145DabH -7.39212e-05 -5.57268e-04 37.53889 15.80411 1.00000 None parabolic box sum 33 76 3.32654 7.88071 145DabHgb 145DabHd1 -2.78662e-04 -0.00210 37.90168 15.37828 1.00000 None parabolic box sum 34 128 3.32670 4.42020 145DabHgb 145DabHa -5.84040e-05 -3.97432e-04 46.83148 10.45890 1.00000 None parabolic box sum 35 185 8.68540 7.87534 146SerH 145DabHd1 -1.92399e-05 -1.42356e-04 84.68788 15.02868 1.00000 None parabolic box sum 36 139 4.40241 8.84254 146SerHa 147MetH -1.01466e-04 -7.57101e-04 31.24258 16.80192 1.00000 None parabolic box sum 37 230 4.39401 4.05619 146SerHa 146SerHbb -3.00165e-05 -3.34165e-04 12.46826 17.40914 1.00000 None parabolic box sum 38 231 4.39268 3.84912 146SerHa 146SerHba -2.15416e-05 -2.13313e-04 10.23022 17.32203 1.00000 None parabolic box sum 39 149 3.84267 8.70291 146SerHba 146SerH -4.23769e-05 -2.65585e-04 27.36713 12.39576 1.00000 None parabolic box sum 40 150 3.83786 8.84245 146SerHba 147MetH -1.49067e-05 -8.78605e-05 30.69582 15.32427 1.00000 None parabolic box sum 41 152 3.83706 7.89355 146SerHba 148ThrH -3.75012e-05 -2.27295e-04 28.34831 11.80373 1.00000 None parabolic box sum 42 153 3.83305 7.65617 146SerHba 149GluH -2.57356e-05 -1.90319e-04 27.07484 16.98675 1.00000 None parabolic box sum 43 227 3.84713 4.04557 146SerHba 146SerHbb -9.21512e-04 -0.00638 29.85390 14.07243 1.00000 None parabolic box sum 44 88 4.04038 3.85357 146SerHbb 146SerHba -6.51383e-04 -0.00493 29.88772 15.34762 1.00000 None parabolic box sum 45 147 4.04931 8.70050 146SerHbb 146SerH -2.75105e-05 -2.16197e-04 27.46341 19.20473 1.00000 None parabolic box sum 46 148 4.05011 8.84085 146SerHbb 147MetH -1.91751e-05 -1.36096e-04 24.87176 22.71868 1.00000 None parabolic box sum 47 186 8.85068 7.88182 147MetH 148ThrH -1.79944e-05 -1.52390e-04 37.06005 17.06613 1.00000 None parabolic box sum 48 140 4.55681 8.84336 147MetHa 147MetH -3.99194e-05 -2.86004e-04 32.55904 18.26209 1.00000 None parabolic box sum 49 156 4.55246 7.89274 147MetHa 148ThrH -5.97306e-05 -4.87672e-04 115.42669 18.95256 1.00000 None parabolic box sum 50 222 4.55329 2.24595 147MetHa 147MetHb* -5.88811e-05 -4.45116e-04 27.41642 16.21590 1.00000 None parabolic box sum 51 161 2.24307 7.89514 147MetHb* 148ThrH -5.97111e-05 -4.13018e-04 30.67232 14.16556 1.00000 None parabolic box sum 52 241 2.24191 8.84435 147MetHb* 147MetH -7.40076e-05 -5.56774e-04 30.60469 17.37877 1.00000 None parabolic box sum 53 181 7.88964 7.65627 148ThrH 149GluH -7.04658e-05 -4.42782e-04 30.56343 10.60619 1.00000 None parabolic box sum 54 182 7.89560 8.83943 148ThrH 147MetH -2.55597e-05 -1.51772e-04 27.58721 14.12659 1.00000 None parabolic box sum 55 209 7.89713 1.18549 148ThrH 148ThrHg2* -5.29225e-05 -3.70808e-04 26.45185 13.02190 1.00000 None parabolic box sum 56 216 4.01836 1.17987 148ThrHa 148ThrHg2* -1.12589e-04 -7.92749e-04 28.75351 13.18695 1.00000 None parabolic box sum 57 229 4.02632 4.22211 148ThrHa 148ThrHb -1.35908e-04 -0.00105 42.33878 20.36416 1.00000 None parabolic box sum 58 126 4.22056 7.89439 148ThrHb 148ThrH -8.50218e-05 -6.36868e-04 30.98696 16.72483 1.00000 None parabolic box sum 59 217 4.22941 1.18253 148ThrHb 148ThrHg2* -1.34948e-04 -0.00107 29.51920 15.30636 1.00000 None parabolic box sum 60 228 4.22278 4.02699 148ThrHb 148ThrHa -1.60565e-04 -9.82534e-04 29.34039 10.13967 1.00000 None parabolic box sum 61 127 1.17172 7.89627 148ThrHg2* 148ThrH -8.79868e-05 -6.70641e-04 31.69764 15.94310 1.00000 None parabolic box sum 62 168 1.17951 7.65776 148ThrHg2* 149GluH -1.78353e-05 -1.25548e-04 45.45886 14.35670 1.00000 None parabolic box sum 63 239 1.17315 4.02838 148ThrHg2* 148ThrHa -1.05460e-04 -7.20897e-04 30.55598 12.48259 1.00000 None parabolic box sum 64 178 7.65405 7.89740 149GluH 148ThrH -7.61237e-05 -5.72613e-04 25.98533 16.84977 1.00000 None parabolic box sum 65 188 7.65555 4.02587 149GluH 148ThrHa -1.46052e-04 -0.00103 31.27066 13.15142 1.00000 None parabolic box sum 66 198 7.65687 1.97881 149GluH 149GluHgb -7.55337e-05 -5.89027e-04 30.09032 27.51499 1.00000 None parabolic box sum 67 203 7.65555 1.36689 149GluH 149GluHga -3.23263e-05 -2.50231e-04 34.66984 25.61567 1.00000 None parabolic box sum 68 206 7.65687 1.71466 149GluH 149GluHba -4.71496e-05 -4.03713e-04 31.11334 27.10521 1.00000 None parabolic box sum 69 208 7.66085 1.77572 149GluH 149GluHbb -4.41090e-05 -3.62347e-04 29.84387 24.08429 1.00000 None parabolic box sum 70 79 4.20517 7.73555 149GluHa 150PheH -1.37686e-04 -0.00113 30.45396 18.23386 1.00000 None parabolic box sum 71 219 4.19888 1.71613 149GluHa 149GluHba -1.56563e-04 -0.00130 28.92143 28.34831 1.00000 None parabolic box sum 72 220 4.20021 1.77719 149GluHa 149GluHbb -1.35382e-04 -0.00109 28.92946 27.41699 1.00000 None parabolic box sum 73 221 4.20419 1.36172 149GluHa 149GluHga -3.01615e-05 -1.94435e-04 24.04130 16.33454 1.00000 None parabolic box sum 74 226 4.19756 1.98180 149GluHa 149GluHgb -3.15110e-05 -2.30538e-04 25.39616 27.09088 1.00000 None parabolic box sum 75 136 1.71457 7.65776 149GluHba 149GluH -1.26634e-04 -9.10355e-04 67.54123 14.25382 1.00000 None parabolic box sum 76 163 1.71056 7.88071 149GluHba 145DabHd1 -6.21800e-05 -4.63647e-04 65.37884 16.22908 1.00000 None parabolic box sum 77 166 1.71377 7.73314 149GluHba 150PheH -2.82159e-05 -2.64875e-04 66.90278 21.47515 1.00000 None parabolic box sum 78 135 1.78033 7.65696 149GluHbb 149GluH -1.03704e-04 -7.07354e-04 71.91587 13.40503 1.00000 None parabolic box sum 79 162 1.77712 7.88151 149GluHbb (145Dab/148Thr)(Hd1/H) -4.36668e-05 -3.55103e-04 73.51774 17.14407 1.00000 None parabolic box sum 80 165 1.78033 7.73635 149GluHbb 150PheH -2.82188e-05 -2.10030e-04 66.90163 15.06622 1.00000 None parabolic box sum 81 138 1.35995 7.65776 149GluHga 149GluH -7.82498e-05 -5.64696e-04 36.50039 14.65013 1.00000 None parabolic box sum 82 167 1.36155 7.73555 149GluHga 150PheH -3.46600e-05 -2.52923e-04 29.20456 16.37122 1.00000 None parabolic box sum 83 169 1.36396 7.88151 149GluHga (145Dab/148Thr)(Hd1/H) -1.54066e-04 -0.00111 35.70949 15.02352 1.00000 None parabolic box sum 84 170 1.36337 7.29120 149GluHga 150PheHe* -2.32624e-05 -1.52192e-04 28.12709 12.10834 1.00000 None parabolic box sum 85 237 1.35880 1.97296 149GluHga 149GluHgb -6.94165e-04 -0.00580 35.70547 28.67098 1.00000 None parabolic box sum 86 50 1.97781 7.88024 149GluHgb 145DabHd1 -4.14455e-04 -0.00311 40.76958 15.60639 1.00000 None parabolic box sum 87 137 1.97521 7.65696 149GluHgb 149GluH -1.67078e-04 -0.00121 34.57757 14.41401 1.00000 None parabolic box sum 88 164 1.97521 7.73234 149GluHgb 150PheH -5.49968e-05 -4.73964e-04 33.53392 20.33435 1.00000 None parabolic box sum 89 171 1.98685 7.29195 149GluHgb 150PheHe* -1.69401e-05 -1.29683e-04 27.19519 19.50275 1.00000 None parabolic box sum 90 172 1.98605 7.24704 149GluHgb 150PheHd* -1.73793e-05 -1.23840e-04 28.34946 16.29413 1.00000 None parabolic box sum 91 238 1.97736 1.36104 149GluHgb 149GluHga -6.84658e-04 -0.00564 34.10704 28.27266 1.00000 None parabolic box sum 92 179 7.72896 7.88160 150PheH 151TyrH -9.99167e-05 -6.71338e-04 22.94406 18.20177 1.00000 None parabolic box sum 93 192 7.73519 2.80817 150PheH 150PheHba -7.88136e-05 -5.07785e-04 30.60813 24.60583 1.00000 None parabolic box sum 94 193 7.72722 3.17718 150PheH 150PheHbb -2.95944e-05 -1.88232e-04 42.33964 9.96716 1.00000 None parabolic box sum 95 197 7.74050 1.98014 150PheH 149GluHgb -3.65986e-05 -2.96133e-04 27.17714 26.00539 1.00000 None parabolic box sum 96 204 7.74315 1.37087 150PheH 149GluHga -2.06587e-05 -1.23149e-04 29.66449 15.01693 1.00000 None parabolic box sum 97 205 7.74050 1.71599 150PheH 149GluHba -1.87829e-05 -1.59807e-04 21.92219 23.61949 1.00000 None parabolic box sum 98 207 7.73519 1.78236 150PheH 149GluHbb -2.96233e-05 -2.03768e-04 78.19929 13.98245 1.00000 None parabolic box sum 99 58 2.80191 7.24784 150PheHba 150PheHd* -2.94727e-04 -0.00212 32.60718 14.59454 1.00000 None parabolic box sum 100 59 2.80191 7.28232 150PheHba 150PheHe* -5.53600e-05 -3.99558e-04 29.01543 41.96282 1.00000 None parabolic box sum 101 61 2.80446 7.73555 150PheHba 150PheH -1.04842e-04 -8.32102e-04 31.92574 17.19422 1.00000 None parabolic box sum 102 84 2.79987 3.19658 150PheHba 150PheHbb -6.35028e-04 -0.00505 37.54863 27.66859 1.00000 None parabolic box sum 103 125 2.79799 4.66707 150PheHba 150PheHa -4.54525e-06 -1.03346e-04 40.75468 59.65623 1.00000 None parabolic box sum 104 160 2.81088 7.87830 150PheHba 151TyrH -3.79495e-05 -2.79059e-04 30.69353 15.21380 1.00000 None parabolic box sum 105 57 3.18526 7.24784 150PheHbb 150PheHd* -1.26302e-04 -9.16496e-04 32.74358 14.28162 1.00000 None parabolic box sum 106 62 3.19261 7.73555 150PheHbb 150PheH -3.86770e-05 -3.25185e-04 31.11592 19.63285 1.00000 None parabolic box sum 107 85 3.18280 2.80990 150PheHbb 150PheHba -8.57549e-04 -0.00539 32.59113 19.68615 1.00000 None parabolic box sum 108 159 3.19342 7.87830 150PheHbb 151TyrH -3.22545e-05 -2.57098e-04 26.80719 18.66628 1.00000 None parabolic box sum 109 173 3.18927 7.28232 150PheHbb 150PheHe* -2.02497e-05 -1.33017e-04 30.95774 13.17320 1.00000 None parabolic box sum 110 210 7.24675 2.81198 150PheHd* 150PheHba -1.05496e-04 -0.00109 28.59218 33.41070 1.00000 None parabolic box sum 111 211 7.24675 3.18896 150PheHd* 150PheHbb -6.53941e-05 -5.94863e-04 26.15268 25.37267 1.00000 None parabolic box sum 112 180 7.88409 7.73664 151TyrH 150PheH -6.41045e-05 -6.16796e-04 48.68668 15.84165 1.00000 None parabolic box sum 113 191 7.88385 2.91303 151TyrH 151TyrHba -4.96459e-05 -4.18645e-04 31.89479 28.78503 1.00000 None parabolic box sum 114 194 7.89182 3.07895 151TyrH 151TyrHbb -1.65502e-05 -1.66758e-04 64.98224 31.87072 1.00000 None parabolic box sum 115 155 4.63346 7.94326 151TyrHa 152HisH -1.06018e-04 -8.56534e-04 40.10705 20.95161 1.00000 None parabolic box sum 116 130 2.91273 7.87910 151TyrHba 151TyrH -9.88288e-05 -7.80541e-04 35.56735 17.86964 1.00000 None parabolic box sum 117 158 2.92476 7.94246 151TyrHba 152HisH -2.13518e-05 -1.57715e-04 32.97914 13.15944 1.00000 None parabolic box sum 118 175 2.91339 7.10910 151TyrHba 151TyrHd* -6.47374e-05 -5.49733e-04 33.79526 16.85035 1.00000 None parabolic box sum 119 232 2.91700 3.06772 151TyrHba 151TyrHbb -0.00153 -0.01126 34.63316 16.97987 1.00000 None parabolic box sum 120 129 3.06411 7.88009 151TyrHbb 151TyrH -4.37511e-05 -3.45206e-04 29.45902 17.45843 1.00000 None parabolic box sum 121 157 3.06911 7.94246 151TyrHbb 152HisH -3.70586e-05 -2.50636e-04 38.61751 12.09688 1.00000 None parabolic box sum 122 174 3.07298 7.11070 151TyrHbb 151TyrHd* -6.71116e-05 -5.73814e-04 32.38366 16.38440 1.00000 None parabolic box sum 123 233 3.06434 2.92436 151TyrHbb 151TyrHba -0.00100 -0.01056 31.57155 24.09059 1.00000 None parabolic box sum 124 132 7.09941 6.81686 151TyrHd* 151TyrHe* -0.00108 -0.00619 28.21105 9.70180 1.00000 None parabolic box sum 125 212 7.10339 2.91950 151TyrHd* 151TyrHba -3.08369e-05 -2.30151e-04 33.31642 19.65177 1.00000 None parabolic box sum 126 213 7.10472 3.07613 151TyrHd* 151TyrHbb -2.05290e-05 -2.56005e-04 29.09910 27.72074 1.00000 None parabolic box sum 127 131 6.81332 7.09867 151TyrHe* 151TyrHd* -0.00120 -0.00659 28.27610 8.83381 1.00000 None parabolic box sum 128 53 4.44099 7.93845 152HisHa 152HisH -7.15723e-05 -4.30277e-04 34.80109 10.83257 1.00000 None parabolic box sum 129 69 3.09718 7.94166 152HisHba 152HisH -2.40208e-05 -1.71886e-04 51.18893 12.83534 1.00000 None parabolic box sum 130 68 3.23592 7.94807 152HisHbb 152HisH -1.43287e-05 -1.15574e-04 29.37707 14.39280 1.00000 None parabolic box sum 131 92 1.74357 8.48799 (143Arg/142Arg)Hba 143ArgH -1.32048e-04 -9.86248e-04 73.10911 16.47610 1.00000 None parabolic box sum 132 91 1.80811 8.48472 (143Arg/142Arg)Hbb 143ArgH -9.77265e-05 -7.51216e-04 81.62741 15.82503 1.00000 None parabolic box sum 133 93 1.61858 8.48636 (143Arg/142Arg)Hg* 143ArgH -3.94598e-05 -2.84441e-04 42.31299 14.21456 1.00000 None parabolic box sum 134 142 4.29621 8.54926 (143Arg/144Gln)Ha 144GlnH -2.25271e-04 -0.00169 36.06540 16.15888 1.00000 None parabolic box sum 135 115 2.03751 8.55074 (144Gln/145Dab)Hb* 144GlnH -3.35037e-05 -2.49717e-04 42.22989 15.67058 1.00000 None parabolic box sum 136 195 7.88385 1.98279 (145Dab/148Thr)(Hd1/H) 149GluHgb -2.68653e-04 -0.00219 27.51757 32.28279 1.00000 None parabolic box sum 137 200 7.88253 1.77838 (145Dab/148Thr)(Hd1/H) 149GluHbb -3.03027e-05 -2.27907e-04 25.20789 22.30016 1.00000 None parabolic box sum 138 202 7.88120 1.36025 (145Dab/148Thr)(Hd1/H) 149GluHga -1.00892e-04 -7.89094e-04 27.62905 26.69830 1.00000 None parabolic box sum 139 145 4.40568 8.70366 (146Ser/145Dab)Ha 146SerH -1.15809e-04 -8.36777e-04 33.39465 14.90173 1.00000 None parabolic box sum 140 52 4.02713 7.89195 (148Thr/146Ser)(Ha/Hbb) (148Thr/151Tyr)H -1.74083e-04 -0.00120 30.82420 13.93746 1.00000 None parabolic box sum 141 151 4.02392 7.65777 (148Thr/146Ser)(Ha/Hbb) 149GluH -1.52840e-04 -0.00110 28.25833 14.76676 1.00000 None parabolic box sum 142 187 7.89447 4.02720 (148Thr/151Tyr)H (148Thr/146Ser)(Ha/Hbb) -1.20949e-04 -9.17015e-04 29.58282 17.89973 1.00000 None parabolic box sum 143 134 4.21277 7.65671 (149Glu/148Thr)H* 149GluH -9.79822e-05 -7.58237e-04 38.20658 15.49950 1.00000 None parabolic box sum 144 114 4.32278 8.48638 {*}Ha (143Arg/142Arg)H -4.83303e-04 -0.00385 34.65895 25.19844 1.00000 None parabolic box sum ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 . 9615.39 Hz . . . 4.804 . . c30414_6civ 1 2 . . H 1 H 1 . 9615.39 Hz . . . 4.805 . . c30414_6civ 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 c30414_6civ _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 c30414_6civ _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 . . . c30414_6civ 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 . . . . c30414_6civ 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 GLY C C -10.721 6.039 -0.141 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 1 . 2 . 1 1 1 GLY CA C -9.661 6.598 -1.066 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 1 . 3 . 1 1 1 GLY H1 H -8.384 7.261 0.442 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 1 . 4 . 1 1 1 GLY H2 H -9.456 8.441 -0.115 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 1 . 5 . 1 1 1 GLY H3 H -8.120 8.004 -1.054 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 1 . 6 . 1 1 1 GLY HA2 H -10.142 7.021 -1.935 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 1 . 7 . 1 1 1 GLY HA3 H -9.009 5.796 -1.380 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 1 . 8 . 1 1 1 GLY N N -8.849 7.648 -0.402 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 1 . 9 . 1 1 1 GLY O O -10.604 6.162 1.078 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 1 . 10 . 1 1 2 ARG C C -12.625 3.386 0.345 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 1 . 11 . 1 1 2 ARG CA C -12.847 4.873 0.082 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 1 . 12 . 1 1 2 ARG CB C -14.189 5.083 -0.626 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 1 . 13 . 1 1 2 ARG CD C -15.671 4.557 -2.589 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 1 . 14 . 1 1 2 ARG CG C -14.337 4.287 -1.913 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 1 . 15 . 1 1 2 ARG CZ C -18.072 4.224 -2.121 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 1 . 16 . 1 1 2 ARG H H -11.781 5.348 -1.691 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 1 . 17 . 1 1 2 ARG HA H -12.865 5.393 1.029 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 1 . 18 . 1 1 2 ARG HB2 H -14.986 4.791 0.044 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 1 . 19 . 1 1 2 ARG HB3 H -14.297 6.130 -0.862 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 1 . 20 . 1 1 2 ARG HD2 H -15.709 5.596 -2.879 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 1 . 21 . 1 1 2 ARG HD3 H -15.744 3.937 -3.470 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 1 . 22 . 1 1 2 ARG HE H -16.612 4.110 -0.758 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 1 . 23 . 1 1 2 ARG HG2 H -13.541 4.563 -2.588 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 1 . 24 . 1 1 2 ARG HG3 H -14.268 3.234 -1.683 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 1 . 25 . 1 1 2 ARG HH11 H -17.640 4.581 -4.068 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 1 . 26 . 1 1 2 ARG HH12 H -19.322 4.376 -3.711 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 1 . 27 . 1 1 2 ARG HH21 H -18.827 3.840 -0.283 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 1 . 28 . 1 1 2 ARG HH22 H -19.997 3.950 -1.559 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 1 . 29 . 1 1 2 ARG N N -11.754 5.428 -0.711 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 1 . 30 . 1 1 2 ARG NE N -16.806 4.268 -1.711 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 1 . 31 . 1 1 2 ARG NH1 N -18.368 4.409 -3.402 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 1 . 32 . 1 1 2 ARG NH2 N -19.042 3.987 -1.253 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 1 . 33 . 1 1 2 ARG O O -13.345 2.765 1.128 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 1 . 34 . 1 1 3 LYS C C -9.798 1.264 0.056 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 1 . 35 . 1 1 3 LYS CA C -11.298 1.416 -0.130 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 1 . 36 . 1 1 3 LYS CB C -11.773 0.580 -1.321 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 1 . 37 . 1 1 3 LYS CD C -11.968 -1.704 -2.379 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 1 . 38 . 1 1 3 LYS CE C -13.479 -1.624 -2.524 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 1 . 39 . 1 1 3 LYS CG C -11.473 -0.906 -1.180 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 1 . 40 . 1 1 3 LYS H H -11.111 3.351 -0.955 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 1 . 41 . 1 1 3 LYS HA H -11.797 1.074 0.765 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 1 . 42 . 1 1 3 LYS HB2 H -12.840 0.702 -1.426 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 1 . 43 . 1 1 3 LYS HB3 H -11.287 0.940 -2.216 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 1 . 44 . 1 1 3 LYS HD2 H -11.511 -1.308 -3.273 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 1 . 45 . 1 1 3 LYS HD3 H -11.682 -2.738 -2.254 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 1 . 46 . 1 1 3 LYS HE2 H -13.932 -1.936 -1.596 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 1 . 47 . 1 1 3 LYS HE3 H -13.755 -0.601 -2.730 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 1 . 48 . 1 1 3 LYS HG2 H -10.405 -1.040 -1.092 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 1 . 49 . 1 1 3 LYS HG3 H -11.957 -1.276 -0.289 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 1 . 50 . 1 1 3 LYS HZ1 H -13.546 -2.221 -4.524 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 1 . 51 . 1 1 3 LYS HZ2 H -15.016 -2.390 -3.710 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 1 . 52 . 1 1 3 LYS HZ3 H -13.761 -3.487 -3.424 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 1 . 53 . 1 1 3 LYS N N -11.634 2.817 -0.319 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 1 . 54 . 1 1 3 LYS NZ N -13.984 -2.490 -3.622 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 1 . 55 . 1 1 3 LYS O O -9.019 1.531 -0.861 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 1 . 56 . 1 1 4 ARG C C -7.812 -0.529 2.481 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 1 . 57 . 1 1 4 ARG CA C -7.995 0.662 1.554 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 1 . 58 . 1 1 4 ARG CB C -7.398 1.924 2.185 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 1 . 59 . 1 1 4 ARG CD C -7.519 3.670 3.997 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 1 . 60 . 1 1 4 ARG CG C -8.099 2.370 3.458 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 1 . 61 . 1 1 4 ARG CZ C -5.388 4.533 4.898 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 1 . 62 . 1 1 4 ARG H H -10.069 0.673 1.943 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 1 . 63 . 1 1 4 ARG HA H -7.482 0.460 0.625 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 1 . 64 . 1 1 4 ARG HB2 H -6.361 1.735 2.421 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 1 . 65 . 1 1 4 ARG HB3 H -7.453 2.729 1.468 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 1 . 66 . 1 1 4 ARG HD2 H -7.575 4.419 3.223 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 1 . 67 . 1 1 4 ARG HD3 H -8.111 3.987 4.843 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 1 . 68 . 1 1 4 ARG HE H -5.718 2.636 4.340 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 1 . 69 . 1 1 4 ARG HG2 H -9.147 2.517 3.243 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 1 . 70 . 1 1 4 ARG HG3 H -7.990 1.599 4.206 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 1 . 71 . 1 1 4 ARG HH11 H -6.853 5.926 4.733 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 1 . 72 . 1 1 4 ARG HH12 H -5.346 6.506 5.371 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 1 . 73 . 1 1 4 ARG HH21 H -3.734 3.400 5.188 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 1 . 74 . 1 1 4 ARG HH22 H -3.577 5.067 5.638 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 1 . 75 . 1 1 4 ARG N N -9.399 0.856 1.248 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 1 . 76 . 1 1 4 ARG NE N -6.124 3.531 4.417 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 1 . 77 . 1 1 4 ARG NH1 N -5.904 5.752 5.009 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 1 . 78 . 1 1 4 ARG NH2 N -4.132 4.317 5.270 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 1 . 79 . 1 1 4 ARG O O -8.588 -0.732 3.417 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 1 . 80 . 1 1 5 ARG C C -4.944 -2.623 3.039 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 1 . 81 . 1 1 5 ARG CA C -6.451 -2.453 3.042 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 1 . 82 . 1 1 5 ARG CB C -7.125 -3.735 2.549 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 1 . 83 . 1 1 5 ARG CD C -7.585 -6.174 2.931 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 1 . 84 . 1 1 5 ARG CG C -6.932 -4.919 3.484 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 1 . 85 . 1 1 5 ARG CZ C -7.541 -6.891 0.565 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 1 . 86 . 1 1 5 ARG H H -6.272 -1.155 1.387 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 1 . 87 . 1 1 5 ARG HA H -6.781 -2.236 4.045 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 1 . 88 . 1 1 5 ARG HB2 H -8.185 -3.555 2.445 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 1 . 89 . 1 1 5 ARG HB3 H -6.717 -3.996 1.585 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 1 . 90 . 1 1 5 ARG HD2 H -7.537 -6.949 3.681 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 1 . 91 . 1 1 5 ARG HD3 H -8.617 -5.958 2.705 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 1 . 92 . 1 1 5 ARG HE H -5.950 -6.812 1.779 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 1 . 93 . 1 1 5 ARG HG2 H -5.875 -5.097 3.609 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 1 . 94 . 1 1 5 ARG HG3 H -7.376 -4.684 4.442 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 1 . 95 . 1 1 5 ARG HH11 H -9.366 -6.273 1.197 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 1 . 96 . 1 1 5 ARG HH12 H -9.301 -6.834 -0.441 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 1 . 97 . 1 1 5 ARG HH21 H -5.869 -7.543 -0.376 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 1 . 98 . 1 1 5 ARG HH22 H -7.315 -7.556 -1.336 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 1 . 99 . 1 1 5 ARG N N -6.802 -1.328 2.197 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 1 . 100 . 1 1 5 ARG NE N -6.920 -6.648 1.719 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 1 . 101 . 1 1 5 ARG NH1 N -8.840 -6.646 0.431 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 1 . 102 . 1 1 5 ARG NH2 N -6.855 -7.367 -0.464 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 1 . 103 . 1 1 5 ARG O O -4.311 -2.722 4.088 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 1 . 104 . 1 1 6 GLN C C -2.421 -1.430 1.047 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 1 . 105 . 1 1 6 GLN CA C -2.935 -2.706 1.698 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 1 . 106 . 1 1 6 GLN CB C -2.527 -3.931 0.876 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 1 . 107 . 1 1 6 GLN CD C -2.617 -5.143 -1.332 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 1 . 108 . 1 1 6 GLN CG C -3.106 -3.957 -0.529 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 1 . 109 . 1 1 6 GLN H H -4.938 -2.595 1.044 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 1 . 110 . 1 1 6 GLN HA H -2.505 -2.787 2.686 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 1 . 111 . 1 1 6 GLN HB2 H -1.451 -3.951 0.795 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 1 . 112 . 1 1 6 GLN HB3 H -2.855 -4.820 1.392 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 1 . 113 . 1 1 6 GLN HE21 H -2.736 -4.086 -3.007 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 1 . 114 . 1 1 6 GLN HE22 H -2.188 -5.716 -3.184 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 1 . 115 . 1 1 6 GLN HG2 H -4.182 -4.006 -0.460 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 1 . 116 . 1 1 6 GLN HG3 H -2.819 -3.050 -1.039 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 1 . 117 . 1 1 6 GLN N N -4.374 -2.639 1.847 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 1 . 118 . 1 1 6 GLN NE2 N -2.503 -4.964 -2.637 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 1 . 119 . 1 1 6 GLN O O -3.071 -0.854 0.172 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 1 . 120 . 1 1 6 GLN OE1 O -2.336 -6.207 -0.780 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 1 . 121 . 1 1 7 . C C 0.443 -0.068 -0.027 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 1 . 122 . 1 1 7 . CA C -0.665 0.238 0.976 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 1 . 123 . 1 1 7 . CB C -0.142 1.077 2.146 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 1 . 124 . 1 1 7 . CG C 0.740 0.310 3.115 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 1 . 125 . 1 1 7 . H H -0.759 -1.527 2.138 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 1 . 126 . 1 1 7 . HA H -1.441 0.790 0.478 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 1 . 127 . 1 1 7 . HB2 H -0.986 1.469 2.694 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 1 . 128 . 1 1 7 . HB3 H 0.431 1.901 1.750 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 1 . 129 . 1 1 7 . HD1 H 2.041 -0.504 1.679 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 1 . 130 . 1 1 7 . HG2 H 0.234 -0.601 3.399 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 1 . 131 . 1 1 7 . HG3 H 0.895 0.919 3.986 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 1 . 132 . 1 1 7 . N N -1.252 -0.995 1.473 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 1 . 133 . 1 1 7 . ND N 2.032 -0.026 2.534 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 1 . 134 . 1 1 7 . O O 1.440 0.647 -0.105 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 1 . 135 . 1 1 8 SER C C 2.380 -2.319 -1.026 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 1 . 136 . 1 1 8 SER CA C 1.203 -1.677 -1.749 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 1 . 137 . 1 1 8 SER CB C 1.727 -0.598 -2.708 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 1 . 138 . 1 1 8 SER H H -0.626 -1.609 -0.697 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 1 . 139 . 1 1 8 SER HA H 0.700 -2.439 -2.326 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 1 . 140 . 1 1 8 SER HB2 H 1.969 -1.049 -3.657 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 1 . 141 . 1 1 8 SER HB3 H 0.965 0.153 -2.850 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 1 . 142 . 1 1 8 SER HG H 2.649 0.557 -1.417 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 1 . 143 . 1 1 8 SER N N 0.231 -1.145 -0.786 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 1 . 144 . 1 1 8 SER O O 2.872 -1.816 -0.011 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 1 . 145 . 1 1 8 SER OG O 2.895 0.025 -2.189 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 1 . 146 . 1 1 9 MET C C 5.259 -3.299 -1.351 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 1 . 147 . 1 1 9 MET CA C 4.010 -4.102 -1.030 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 1 . 148 . 1 1 9 MET CB C 4.133 -5.516 -1.599 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 1 . 149 . 1 1 9 MET CE C 1.119 -7.485 0.493 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 1 . 150 . 1 1 9 MET CG C 2.939 -6.397 -1.282 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 1 . 151 . 1 1 9 MET H H 2.393 -3.808 -2.355 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 1 . 152 . 1 1 9 MET HA H 3.895 -4.160 0.041 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 1 . 153 . 1 1 9 MET HB2 H 4.234 -5.451 -2.673 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 1 . 154 . 1 1 9 MET HB3 H 5.017 -5.981 -1.190 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 1 . 155 . 1 1 9 MET HE1 H 0.787 -7.631 1.510 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 1 . 156 . 1 1 9 MET HE2 H 1.320 -8.444 0.037 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 1 . 157 . 1 1 9 MET HE3 H 0.351 -6.974 -0.068 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 1 . 158 . 1 1 9 MET HG2 H 2.067 -5.990 -1.772 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 1 . 159 . 1 1 9 MET HG3 H 3.132 -7.391 -1.657 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 1 . 160 . 1 1 9 MET N N 2.844 -3.430 -1.568 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 1 . 161 . 1 1 9 MET O O 6.344 -3.587 -0.846 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 1 . 162 . 1 1 9 MET SD S 2.614 -6.501 0.488 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 1 . 163 . 1 1 10 THR C C 6.685 -0.543 -1.496 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 1 . 164 . 1 1 10 THR CA C 6.209 -1.456 -2.609 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 1 . 165 . 1 1 10 THR CB C 5.829 -0.607 -3.833 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 1 . 166 . 1 1 10 THR CG2 C 6.967 -0.570 -4.842 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 1 . 167 . 1 1 10 THR H H 4.185 -2.014 -2.459 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 1 . 168 . 1 1 10 THR HA H 7.007 -2.119 -2.882 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 1 . 169 . 1 1 10 THR HB H 5.623 0.402 -3.505 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 1 . 170 . 1 1 10 THR HG1 H 4.029 -0.432 -4.621 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 1 . 171 . 1 1 10 THR HG21 H 7.181 -1.573 -5.179 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 1 . 172 . 1 1 10 THR HG22 H 7.848 -0.151 -4.376 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 1 . 173 . 1 1 10 THR HG23 H 6.682 0.039 -5.687 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 1 . 174 . 1 1 10 THR N N 5.091 -2.258 -2.163 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 1 . 175 . 1 1 10 THR O O 7.825 -0.077 -1.505 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 1 . 176 . 1 1 10 THR OG1 O 4.657 -1.148 -4.453 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 1 . 177 . 1 1 11 GLU C C 7.172 -0.130 1.515 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 1 . 178 . 1 1 11 GLU CA C 6.162 0.554 0.602 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 1 . 179 . 1 1 11 GLU CB C 4.917 0.939 1.400 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 1 . 180 . 1 1 11 GLU CD C 3.186 0.264 3.088 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 1 . 181 . 1 1 11 GLU CG C 4.399 -0.164 2.307 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 1 . 182 . 1 1 11 GLU H H 4.928 -0.729 -0.555 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 1 . 183 . 1 1 11 GLU HA H 6.612 1.446 0.198 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 1 . 184 . 1 1 11 GLU HB2 H 5.148 1.795 2.008 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 1 . 185 . 1 1 11 GLU HB3 H 4.130 1.203 0.709 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 1 . 186 . 1 1 11 GLU HG2 H 4.134 -1.016 1.699 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 1 . 187 . 1 1 11 GLU HG3 H 5.173 -0.444 2.997 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 1 . 188 . 1 1 11 GLU N N 5.818 -0.311 -0.518 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 1 . 189 . 1 1 11 GLU O O 7.849 0.517 2.312 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 1 . 190 . 1 1 11 GLU OE1 O 3.290 0.819 4.183 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 1 . 191 . 1 1 12 PHE C C 9.581 -2.234 1.541 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 1 . 192 . 1 1 12 PHE CA C 8.206 -2.225 2.189 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 1 . 193 . 1 1 12 PHE CB C 7.698 -3.658 2.363 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 1 . 194 . 1 1 12 PHE CD1 C 6.435 -3.934 4.515 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 1 . 195 . 1 1 12 PHE CD2 C 5.191 -3.679 2.498 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 1 . 196 . 1 1 12 PHE CE1 C 5.258 -4.030 5.232 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 1 . 197 . 1 1 12 PHE CE2 C 4.010 -3.774 3.210 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 1 . 198 . 1 1 12 PHE CG C 6.415 -3.758 3.141 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 1 . 199 . 1 1 12 PHE CZ C 4.045 -3.949 4.579 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 1 . 200 . 1 1 12 PHE H H 6.722 -1.902 0.714 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 1 . 201 . 1 1 12 PHE HA H 8.279 -1.754 3.158 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 1 . 202 . 1 1 12 PHE HB2 H 7.527 -4.090 1.389 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 1 . 203 . 1 1 12 PHE HB3 H 8.448 -4.236 2.881 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 1 . 204 . 1 1 12 PHE HD1 H 7.383 -3.996 5.027 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 1 . 205 . 1 1 12 PHE HD2 H 5.164 -3.541 1.428 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 1 . 206 . 1 1 12 PHE HE1 H 5.288 -4.170 6.303 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 1 . 207 . 1 1 12 PHE HE2 H 3.062 -3.711 2.697 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 1 . 208 . 1 1 12 PHE HZ H 3.123 -4.024 5.138 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 1 . 209 . 1 1 12 PHE N N 7.280 -1.445 1.380 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 1 . 210 . 1 1 12 PHE O O 10.561 -2.686 2.134 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 1 . 211 . 1 1 13 TYR C C 11.657 -0.390 0.037 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 1 . 212 . 1 1 13 TYR CA C 10.898 -1.637 -0.404 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 1 . 213 . 1 1 13 TYR CB C 10.648 -1.605 -1.915 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 1 . 214 . 1 1 13 TYR CD1 C 12.300 -0.525 -3.489 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 1 . 215 . 1 1 13 TYR CD2 C 12.729 -2.749 -2.751 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 1 . 216 . 1 1 13 TYR CE1 C 13.465 -0.543 -4.232 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 1 . 217 . 1 1 13 TYR CE2 C 13.890 -2.776 -3.491 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 1 . 218 . 1 1 13 TYR CG C 11.914 -1.627 -2.737 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 1 . 219 . 1 1 13 TYR CZ C 14.255 -1.673 -4.229 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 1 . 220 . 1 1 13 TYR H H 8.821 -1.421 -0.116 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 1 . 221 . 1 1 13 TYR HA H 11.488 -2.510 -0.161 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 1 . 222 . 1 1 13 TYR HB2 H 10.057 -2.464 -2.195 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 1 . 223 . 1 1 13 TYR HB3 H 10.106 -0.705 -2.165 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 1 . 224 . 1 1 13 TYR HD1 H 11.677 0.356 -3.488 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 1 . 225 . 1 1 13 TYR HD2 H 12.440 -3.615 -2.172 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 1 . 226 . 1 1 13 TYR HE1 H 13.749 0.323 -4.810 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 1 . 227 . 1 1 13 TYR HE2 H 14.509 -3.659 -3.489 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 1 . 228 . 1 1 13 TYR HH H 15.488 -2.546 -5.420 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 1 . 229 . 1 1 13 TYR N N 9.642 -1.735 0.315 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 1 . 230 . 1 1 13 TYR O O 12.879 -0.324 -0.091 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 1 . 231 . 1 1 13 TYR OH O 15.418 -1.697 -4.963 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 1 . 232 . 1 1 14 HIS C C 12.091 2.608 -0.151 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 1 . 233 . 1 1 14 HIS CA C 11.475 1.853 1.024 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 1 . 234 . 1 1 14 HIS CB C 12.514 1.639 2.136 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 1 . 235 . 1 1 14 HIS CD2 C 13.951 3.798 2.364 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 1 . 236 . 1 1 14 HIS CE1 C 13.153 4.508 4.275 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 1 . 237 . 1 1 14 HIS CG C 13.009 2.910 2.767 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 1 . 238 . 1 1 14 HIS H H 9.950 0.439 0.656 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 1 . 239 . 1 1 14 HIS HA H 10.661 2.444 1.418 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 1 . 240 . 1 1 14 HIS HB2 H 12.075 1.034 2.914 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 1 . 241 . 1 1 14 HIS HB3 H 13.366 1.120 1.724 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 1 . 242 . 1 1 14 HIS HD1 H 11.832 2.961 4.514 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 1 . 243 . 1 1 14 HIS HD2 H 14.538 3.743 1.457 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 1 . 244 . 1 1 14 HIS HE1 H 12.981 5.100 5.162 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 1 . 245 . 1 1 14 HIS HE2 H 14.736 5.454 3.388 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 1 . 246 . 1 1 14 HIS N N 10.915 0.580 0.571 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 1 . 247 . 1 1 14 HIS ND1 N 12.529 3.385 3.966 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 1 . 248 . 1 1 14 HIS NE2 N 14.021 4.780 3.321 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 1 . 249 . 1 1 14 HIS O O 13.318 2.517 -0.346 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 1 . 250 . 1 1 14 HIS OXT O 11.336 3.279 -0.881 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 2 . 251 . 1 1 1 GLY C C -10.312 5.325 -1.914 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 2 . 252 . 1 1 1 GLY CA C -10.269 4.592 -3.236 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 2 . 253 . 1 1 1 GLY H1 H -9.870 4.952 -5.245 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 2 . 254 . 1 1 1 GLY H2 H -8.976 5.916 -4.182 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 2 . 255 . 1 1 1 GLY H3 H -10.610 6.247 -4.448 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 2 . 256 . 1 1 1 GLY HA2 H -11.241 4.163 -3.430 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 2 . 257 . 1 1 1 GLY HA3 H -9.541 3.798 -3.173 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 2 . 258 . 1 1 1 GLY N N -9.905 5.489 -4.357 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 2 . 259 . 1 1 1 GLY O O -9.856 6.464 -1.809 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 2 . 260 . 1 1 2 ARG C C -10.482 4.224 1.460 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 2 . 261 . 1 1 2 ARG CA C -10.941 5.247 0.429 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 2 . 262 . 1 1 2 ARG CB C -12.369 5.723 0.717 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 2 . 263 . 1 1 2 ARG CD C -13.878 7.087 2.191 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 2 . 264 . 1 1 2 ARG CG C -12.542 6.366 2.082 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 2 . 265 . 1 1 2 ARG CZ C -14.884 9.183 1.339 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 2 . 266 . 1 1 2 ARG H H -11.221 3.773 -1.055 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 2 . 267 . 1 1 2 ARG HA H -10.273 6.096 0.462 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 2 . 268 . 1 1 2 ARG HB2 H -12.651 6.448 -0.032 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 2 . 269 . 1 1 2 ARG HB3 H -13.038 4.877 0.654 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 2 . 270 . 1 1 2 ARG HD2 H -14.670 6.389 1.964 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 2 . 271 . 1 1 2 ARG HD3 H -13.996 7.447 3.203 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 2 . 272 . 1 1 2 ARG HE H -13.286 8.274 0.556 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 2 . 273 . 1 1 2 ARG HG2 H -12.495 5.598 2.839 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 2 . 274 . 1 1 2 ARG HG3 H -11.745 7.077 2.237 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 2 . 275 . 1 1 2 ARG HH11 H -15.858 8.391 2.931 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 2 . 276 . 1 1 2 ARG HH12 H -16.516 9.876 2.325 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 2 . 277 . 1 1 2 ARG HH21 H -14.148 10.217 -0.243 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 2 . 278 . 1 1 2 ARG HH22 H -15.549 10.913 0.511 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 2 . 279 . 1 1 2 ARG N N -10.862 4.673 -0.902 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 2 . 280 . 1 1 2 ARG NE N -13.962 8.223 1.270 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 2 . 281 . 1 1 2 ARG NH1 N -15.827 9.145 2.273 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 2 . 282 . 1 1 2 ARG NH2 N -14.859 10.185 0.468 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 2 . 283 . 1 1 2 ARG O O -9.569 4.483 2.242 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 2 . 284 . 1 1 3 LYS C C -9.710 1.052 1.598 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 2 . 285 . 1 1 3 LYS CA C -10.697 1.965 2.318 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 2 . 286 . 1 1 3 LYS CB C -11.922 1.169 2.785 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 2 . 287 . 1 1 3 LYS CD C -10.946 0.506 5.012 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 2 . 288 . 1 1 3 LYS CE C -10.527 -0.654 5.896 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 2 . 289 . 1 1 3 LYS CG C -11.588 0.017 3.723 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 2 . 290 . 1 1 3 LYS H H -11.845 2.913 0.817 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 2 . 291 . 1 1 3 LYS HA H -10.209 2.399 3.178 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 2 . 292 . 1 1 3 LYS HB2 H -12.594 1.837 3.302 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 2 . 293 . 1 1 3 LYS HB3 H -12.425 0.765 1.919 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 2 . 294 . 1 1 3 LYS HD2 H -10.073 1.092 4.771 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 2 . 295 . 1 1 3 LYS HD3 H -11.657 1.118 5.548 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 2 . 296 . 1 1 3 LYS HE2 H -11.397 -1.251 6.123 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 2 . 297 . 1 1 3 LYS HE3 H -9.807 -1.256 5.361 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 2 . 298 . 1 1 3 LYS HG2 H -12.497 -0.512 3.964 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 2 . 299 . 1 1 3 LYS HG3 H -10.903 -0.653 3.222 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 2 . 300 . 1 1 3 LYS HZ1 H -9.084 0.405 6.969 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 2 . 301 . 1 1 3 LYS HZ2 H -9.618 -0.999 7.742 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 2 . 302 . 1 1 3 LYS HZ3 H -10.604 0.373 7.711 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 2 . 303 . 1 1 3 LYS N N -11.100 3.052 1.439 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 2 . 304 . 1 1 3 LYS NZ N -9.916 -0.186 7.166 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 2 . 305 . 1 1 3 LYS O O -10.097 0.079 0.949 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 2 . 306 . 1 1 4 ARG C C -6.788 -0.412 1.979 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 2 . 307 . 1 1 4 ARG CA C -7.397 0.616 1.031 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 2 . 308 . 1 1 4 ARG CB C -6.317 1.558 0.492 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 2 . 309 . 1 1 4 ARG CD C -4.213 1.828 -0.859 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 2 . 310 . 1 1 4 ARG CG C -5.273 0.860 -0.360 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 2 . 311 . 1 1 4 ARG CZ C -2.239 2.935 0.124 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 2 . 312 . 1 1 4 ARG H H -8.180 2.145 2.263 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 2 . 313 . 1 1 4 ARG HA H -7.856 0.097 0.203 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 2 . 314 . 1 1 4 ARG HB2 H -6.788 2.322 -0.109 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 2 . 315 . 1 1 4 ARG HB3 H -5.814 2.026 1.325 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 2 . 316 . 1 1 4 ARG HD2 H -3.522 1.289 -1.490 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 2 . 317 . 1 1 4 ARG HD3 H -4.695 2.604 -1.434 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 2 . 318 . 1 1 4 ARG HE H -3.921 2.490 1.113 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 2 . 319 . 1 1 4 ARG HG2 H -4.795 0.093 0.231 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 2 . 320 . 1 1 4 ARG HG3 H -5.762 0.407 -1.209 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 2 . 321 . 1 1 4 ARG HH11 H -2.034 2.473 -1.841 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 2 . 322 . 1 1 4 ARG HH12 H -0.667 3.255 -1.120 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 2 . 323 . 1 1 4 ARG HH21 H -2.135 3.530 2.059 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 2 . 324 . 1 1 4 ARG HH22 H -0.725 3.859 1.101 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 2 . 325 . 1 1 4 ARG N N -8.433 1.377 1.707 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 2 . 326 . 1 1 4 ARG NE N -3.470 2.441 0.238 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 2 . 327 . 1 1 4 ARG NH1 N -1.597 2.883 -1.040 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 2 . 328 . 1 1 4 ARG NH2 N -1.652 3.485 1.178 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 2 . 329 . 1 1 4 ARG O O -6.047 -0.065 2.903 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 2 . 330 . 1 1 5 ARG C C -5.138 -3.018 2.322 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 2 . 331 . 1 1 5 ARG CA C -6.617 -2.764 2.586 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 2 . 332 . 1 1 5 ARG CB C -7.413 -4.046 2.332 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 2 . 333 . 1 1 5 ARG CD C -9.609 -5.257 2.460 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 2 . 334 . 1 1 5 ARG CG C -8.874 -3.955 2.739 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 2 . 335 . 1 1 5 ARG CZ C -9.433 -7.652 3.056 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 2 . 336 . 1 1 5 ARG H H -7.687 -1.890 0.982 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 2 . 337 . 1 1 5 ARG HA H -6.742 -2.472 3.617 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 2 . 338 . 1 1 5 ARG HB2 H -7.371 -4.280 1.279 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 2 . 339 . 1 1 5 ARG HB3 H -6.958 -4.852 2.887 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 2 . 340 . 1 1 5 ARG HD2 H -10.647 -5.137 2.739 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 2 . 341 . 1 1 5 ARG HD3 H -9.545 -5.471 1.403 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 2 . 342 . 1 1 5 ARG HE H -8.334 -6.181 3.862 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 2 . 343 . 1 1 5 ARG HG2 H -8.930 -3.738 3.794 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 2 . 344 . 1 1 5 ARG HG3 H -9.344 -3.159 2.180 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 2 . 345 . 1 1 5 ARG HH11 H -10.800 -7.244 1.619 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 2 . 346 . 1 1 5 ARG HH12 H -10.671 -8.916 2.069 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 2 . 347 . 1 1 5 ARG HH21 H -8.157 -8.390 4.449 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 2 . 348 . 1 1 5 ARG HH22 H -9.161 -9.566 3.660 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 2 . 349 . 1 1 5 ARG N N -7.111 -1.679 1.748 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 2 . 350 . 1 1 5 ARG NE N -9.043 -6.384 3.209 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 2 . 351 . 1 1 5 ARG NH1 N -10.375 -7.961 2.177 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 2 . 352 . 1 1 5 ARG NH2 N -8.873 -8.611 3.782 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 2 . 353 . 1 1 5 ARG O O -4.361 -3.272 3.243 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 2 . 354 . 1 1 6 GLN C C -2.676 -1.838 0.405 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 2 . 355 . 1 1 6 GLN CA C -3.377 -3.164 0.657 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 2 . 356 . 1 1 6 GLN CB C -3.332 -4.030 -0.597 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 2 . 357 . 1 1 6 GLN CD C -3.949 -6.232 -1.661 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 2 . 358 . 1 1 6 GLN CG C -3.768 -5.467 -0.365 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 2 . 359 . 1 1 6 GLN H H -5.421 -2.708 0.374 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 2 . 360 . 1 1 6 GLN HA H -2.873 -3.678 1.462 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 2 . 361 . 1 1 6 GLN HB2 H -3.982 -3.597 -1.342 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 2 . 362 . 1 1 6 GLN HB3 H -2.321 -4.040 -0.977 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 2 . 363 . 1 1 6 GLN HE21 H -2.631 -5.060 -2.572 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 2 . 364 . 1 1 6 GLN HE22 H -3.338 -6.297 -3.547 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 2 . 365 . 1 1 6 GLN HG2 H -3.017 -5.967 0.228 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 2 . 366 . 1 1 6 GLN HG3 H -4.705 -5.465 0.169 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 2 . 367 . 1 1 6 GLN N N -4.755 -2.937 1.060 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 2 . 368 . 1 1 6 GLN NE2 N -3.232 -5.824 -2.696 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 2 . 369 . 1 1 6 GLN O O -2.949 -1.158 -0.584 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 2 . 370 . 1 1 6 GLN OE1 O -4.740 -7.172 -1.734 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 2 . 371 . 1 1 7 . C C 0.130 -0.245 0.277 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 2 . 372 . 1 1 7 . CA C -1.071 -0.200 1.228 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 2 . 373 . 1 1 7 . CB C -0.636 0.226 2.633 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 2 . 374 . 1 1 7 . CG C 0.244 -0.786 3.353 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 2 . 375 . 1 1 7 . H H -1.524 -2.113 2.007 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 2 . 376 . 1 1 7 . HA H -1.774 0.524 0.859 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 2 . 377 . 1 1 7 . HB2 H -1.519 0.391 3.233 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 2 . 378 . 1 1 7 . HB3 H -0.088 1.152 2.560 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 2 . 379 . 1 1 7 . HD1 H 1.681 -1.005 1.833 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 2 . 380 . 1 1 7 . HG2 H -0.211 -1.764 3.272 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 2 . 381 . 1 1 7 . HG3 H 0.302 -0.504 4.388 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 2 . 382 . 1 1 7 . N N -1.756 -1.486 1.290 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 2 . 383 . 1 1 7 . ND N 1.592 -0.840 2.796 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 2 . 384 . 1 1 7 . O O 1.071 0.538 0.422 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 2 . 385 . 1 1 8 SER C C 2.336 -2.074 -1.075 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 2 . 386 . 1 1 8 SER CA C 1.122 -1.388 -1.686 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 2 . 387 . 1 1 8 SER CB C 1.569 -0.081 -2.357 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 2 . 388 . 1 1 8 SER H H -0.722 -1.742 -0.718 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 2 . 389 . 1 1 8 SER HA H 0.710 -2.039 -2.443 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 2 . 390 . 1 1 8 SER HB2 H 1.924 -0.294 -3.355 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 2 . 391 . 1 1 8 SER HB3 H 0.732 0.597 -2.412 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 2 . 392 . 1 1 8 SER HG H 2.319 0.686 -0.711 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 2 . 393 . 1 1 8 SER N N 0.072 -1.169 -0.683 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 2 . 394 . 1 1 8 SER O O 2.734 -1.793 0.061 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 2 . 395 . 1 1 8 SER OG O 2.617 0.545 -1.624 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 2 . 396 . 1 1 9 MET C C 5.325 -2.606 -1.504 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 2 . 397 . 1 1 9 MET CA C 4.174 -3.611 -1.465 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 2 . 398 . 1 1 9 MET CB C 4.452 -4.795 -2.399 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 2 . 399 . 1 1 9 MET CE C 7.361 -6.911 -0.295 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 2 . 400 . 1 1 9 MET CG C 5.720 -5.563 -2.064 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 2 . 401 . 1 1 9 MET H H 2.545 -3.169 -2.729 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 2 . 402 . 1 1 9 MET HA H 4.056 -3.974 -0.456 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 2 . 403 . 1 1 9 MET HB2 H 3.619 -5.480 -2.347 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 2 . 404 . 1 1 9 MET HB3 H 4.539 -4.426 -3.410 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 2 . 405 . 1 1 9 MET HE1 H 7.488 -7.665 -1.056 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 2 . 406 . 1 1 9 MET HE2 H 7.516 -7.351 0.679 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 2 . 407 . 1 1 9 MET HE3 H 8.081 -6.119 -0.449 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 2 . 408 . 1 1 9 MET HG2 H 5.827 -6.378 -2.764 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 2 . 409 . 1 1 9 MET HG3 H 6.565 -4.896 -2.162 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 2 . 410 . 1 1 9 MET N N 2.939 -2.954 -1.855 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 2 . 411 . 1 1 9 MET O O 6.427 -2.875 -1.027 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 2 . 412 . 1 1 9 MET SD S 5.706 -6.238 -0.392 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 2 . 413 . 1 1 10 THR C C 6.387 0.238 -0.850 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 2 . 414 . 1 1 10 THR CA C 6.050 -0.396 -2.190 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 2 . 415 . 1 1 10 THR CB C 5.575 0.686 -3.175 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 2 . 416 . 1 1 10 THR CG2 C 6.730 1.571 -3.609 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 2 . 417 . 1 1 10 THR H H 4.123 -1.225 -2.320 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 2 . 418 . 1 1 10 THR HA H 6.934 -0.858 -2.588 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 2 . 419 . 1 1 10 THR HB H 4.830 1.299 -2.687 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 2 . 420 . 1 1 10 THR HG1 H 5.306 -0.850 -4.385 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 2 . 421 . 1 1 10 THR HG21 H 7.176 2.030 -2.741 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 2 . 422 . 1 1 10 THR HG22 H 6.362 2.340 -4.272 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 2 . 423 . 1 1 10 THR HG23 H 7.467 0.975 -4.123 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 2 . 424 . 1 1 10 THR N N 5.042 -1.420 -2.034 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 2 . 425 . 1 1 10 THR O O 7.437 0.855 -0.684 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 2 . 426 . 1 1 10 THR OG1 O 4.995 0.064 -4.328 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 2 . 427 . 1 1 11 GLU C C 6.820 -0.234 2.157 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 2 . 428 . 1 1 11 GLU CA C 5.747 0.589 1.452 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 2 . 429 . 1 1 11 GLU CB C 4.459 0.609 2.277 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 2 . 430 . 1 1 11 GLU CD C 2.693 -0.695 3.502 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 2 . 431 . 1 1 11 GLU CG C 3.977 -0.764 2.713 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 2 . 432 . 1 1 11 GLU H H 4.674 -0.431 -0.066 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 2 . 433 . 1 1 11 GLU HA H 6.109 1.597 1.341 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 2 . 434 . 1 1 11 GLU HB2 H 4.626 1.201 3.159 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 2 . 435 . 1 1 11 GLU HB3 H 3.679 1.069 1.688 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 2 . 436 . 1 1 11 GLU HG2 H 3.809 -1.368 1.834 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 2 . 437 . 1 1 11 GLU HG3 H 4.731 -1.224 3.324 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 2 . 438 . 1 1 11 GLU N N 5.501 0.062 0.119 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 2 . 439 . 1 1 11 GLU O O 7.501 0.246 3.061 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 2 . 440 . 1 1 11 GLU OE1 O 2.703 -0.546 4.725 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 2 . 441 . 1 1 12 PHE C C 9.285 -2.232 1.558 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 2 . 442 . 1 1 12 PHE CA C 7.962 -2.375 2.293 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 2 . 443 . 1 1 12 PHE CB C 7.485 -3.827 2.223 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 2 . 444 . 1 1 12 PHE CD1 C 4.996 -4.107 2.379 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 2 . 445 . 1 1 12 PHE CD2 C 6.291 -4.334 4.368 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 2 . 446 . 1 1 12 PHE CE1 C 3.843 -4.355 3.095 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 2 . 447 . 1 1 12 PHE CE2 C 5.139 -4.583 5.091 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 2 . 448 . 1 1 12 PHE CG C 6.232 -4.095 3.006 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 2 . 449 . 1 1 12 PHE CZ C 3.914 -4.591 4.453 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 2 . 450 . 1 1 12 PHE H H 6.406 -1.791 0.987 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 2 . 451 . 1 1 12 PHE HA H 8.105 -2.100 3.328 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 2 . 452 . 1 1 12 PHE HB2 H 7.291 -4.084 1.192 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 2 . 453 . 1 1 12 PHE HB3 H 8.262 -4.472 2.608 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 2 . 454 . 1 1 12 PHE HD1 H 4.940 -3.923 1.317 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 2 . 455 . 1 1 12 PHE HD2 H 7.249 -4.328 4.866 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 2 . 456 . 1 1 12 PHE HE1 H 2.886 -4.362 2.594 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 2 . 457 . 1 1 12 PHE HE2 H 5.197 -4.768 6.153 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 2 . 458 . 1 1 12 PHE HZ H 3.014 -4.786 5.016 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 2 . 459 . 1 1 12 PHE N N 6.970 -1.477 1.722 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 2 . 460 . 1 1 12 PHE O O 10.357 -2.352 2.151 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 2 . 461 . 1 1 13 TYR C C 10.980 -0.419 -0.349 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 2 . 462 . 1 1 13 TYR CA C 10.388 -1.807 -0.556 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 2 . 463 . 1 1 13 TYR CB C 10.062 -2.031 -2.036 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 2 . 464 . 1 1 13 TYR CD1 C 11.587 -0.861 -3.679 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 2 . 465 . 1 1 13 TYR CD2 C 12.128 -3.088 -3.025 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 2 . 466 . 1 1 13 TYR CE1 C 12.705 -0.824 -4.491 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 2 . 467 . 1 1 13 TYR CE2 C 13.247 -3.059 -3.834 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 2 . 468 . 1 1 13 TYR CG C 11.280 -1.993 -2.933 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 2 . 469 . 1 1 13 TYR CZ C 13.532 -1.925 -4.563 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 2 . 470 . 1 1 13 TYR H H 8.315 -1.892 -0.155 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 2 . 471 . 1 1 13 TYR HA H 11.111 -2.543 -0.239 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 2 . 472 . 1 1 13 TYR HB2 H 9.592 -2.995 -2.153 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 2 . 473 . 1 1 13 TYR HB3 H 9.381 -1.261 -2.368 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 2 . 474 . 1 1 13 TYR HD1 H 10.938 0.000 -3.620 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 2 . 475 . 1 1 13 TYR HD2 H 11.902 -3.976 -2.454 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 2 . 476 . 1 1 13 TYR HE1 H 12.927 0.065 -5.063 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 2 . 477 . 1 1 13 TYR HE2 H 13.892 -3.922 -3.890 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 2 . 478 . 1 1 13 TYR HH H 15.137 -1.075 -5.195 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 2 . 479 . 1 1 13 TYR N N 9.198 -1.974 0.261 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 2 . 480 . 1 1 13 TYR O O 10.334 0.593 -0.625 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 2 . 481 . 1 1 13 TYR OH O 14.650 -1.892 -5.365 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 2 . 482 . 1 1 14 HIS C C 13.594 1.316 -0.903 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 2 . 483 . 1 1 14 HIS CA C 12.901 0.873 0.379 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 2 . 484 . 1 1 14 HIS CB C 13.919 0.716 1.516 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 2 . 485 . 1 1 14 HIS CD2 C 15.829 2.470 1.362 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 2 . 486 . 1 1 14 HIS CE1 C 15.104 3.868 2.882 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 2 . 487 . 1 1 14 HIS CG C 14.668 1.972 1.851 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 2 . 488 . 1 1 14 HIS H H 12.649 -1.224 0.373 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 2 . 489 . 1 1 14 HIS HA H 12.170 1.617 0.657 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 2 . 490 . 1 1 14 HIS HB2 H 13.403 0.395 2.408 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 2 . 491 . 1 1 14 HIS HB3 H 14.642 -0.035 1.237 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 2 . 492 . 1 1 14 HIS HD1 H 13.423 2.794 3.340 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 2 . 493 . 1 1 14 HIS HD2 H 16.444 2.021 0.595 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 2 . 494 . 1 1 14 HIS HE1 H 15.024 4.719 3.541 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 2 . 495 . 1 1 14 HIS HE2 H 16.755 4.310 1.754 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 2 . 496 . 1 1 14 HIS N N 12.201 -0.381 0.154 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 2 . 497 . 1 1 14 HIS ND1 N 14.242 2.872 2.801 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 2 . 498 . 1 1 14 HIS NE2 N 16.079 3.647 2.019 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 2 . 499 . 1 1 14 HIS O O 14.672 0.770 -1.210 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 2 . 500 . 1 1 14 HIS OXT O 13.057 2.203 -1.597 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 3 . 501 . 1 1 1 GLY C C -14.543 4.801 3.051 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 3 . 502 . 1 1 1 GLY CA C -15.593 5.209 4.063 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 3 . 503 . 1 1 1 GLY H1 H -17.608 4.875 4.486 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 3 . 504 . 1 1 1 GLY H2 H -16.824 3.553 3.781 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 3 . 505 . 1 1 1 GLY H3 H -17.244 4.887 2.836 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 3 . 506 . 1 1 1 GLY HA2 H -15.700 6.282 4.043 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 3 . 507 . 1 1 1 GLY HA3 H -15.270 4.906 5.047 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 3 . 508 . 1 1 1 GLY N N -16.908 4.588 3.772 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 3 . 509 . 1 1 1 GLY O O -14.838 4.060 2.112 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 3 . 510 . 1 1 2 ARG C C -11.761 3.520 2.547 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 3 . 511 . 1 1 2 ARG CA C -12.220 4.953 2.338 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 3 . 512 . 1 1 2 ARG CB C -11.041 5.899 2.564 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 3 . 513 . 1 1 2 ARG CD C -10.102 8.210 2.401 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 3 . 514 . 1 1 2 ARG CG C -11.304 7.327 2.129 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 3 . 515 . 1 1 2 ARG CZ C -9.537 10.604 2.234 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 3 . 516 . 1 1 2 ARG H H -13.148 5.868 4.007 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 3 . 517 . 1 1 2 ARG HA H -12.574 5.065 1.325 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 3 . 518 . 1 1 2 ARG HB2 H -10.801 5.906 3.617 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 3 . 519 . 1 1 2 ARG HB3 H -10.189 5.528 2.014 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 3 . 520 . 1 1 2 ARG HD2 H -9.950 8.269 3.469 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 3 . 521 . 1 1 2 ARG HD3 H -9.233 7.766 1.939 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 3 . 522 . 1 1 2 ARG HE H -10.995 9.689 1.207 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 3 . 523 . 1 1 2 ARG HG2 H -11.517 7.339 1.070 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 3 . 524 . 1 1 2 ARG HG3 H -12.153 7.710 2.674 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 3 . 525 . 1 1 2 ARG HH11 H -8.392 9.558 3.541 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 3 . 526 . 1 1 2 ARG HH12 H -8.014 11.248 3.406 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 3 . 527 . 1 1 2 ARG HH21 H -10.480 11.915 1.008 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 3 . 528 . 1 1 2 ARG HH22 H -9.190 12.582 1.960 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 3 . 529 . 1 1 2 ARG N N -13.319 5.281 3.240 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 3 . 530 . 1 1 2 ARG NE N -10.281 9.560 1.874 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 3 . 531 . 1 1 2 ARG NH1 N -8.569 10.459 3.130 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 3 . 532 . 1 1 2 ARG NH2 N -9.754 11.794 1.690 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 3 . 533 . 1 1 2 ARG O O -11.829 2.992 3.659 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 3 . 534 . 1 1 3 LYS C C -9.345 1.503 1.043 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 3 . 535 . 1 1 3 LYS CA C -10.774 1.543 1.553 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 3 . 536 . 1 1 3 LYS CB C -11.639 0.579 0.743 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 3 . 537 . 1 1 3 LYS CD C -13.817 -0.617 0.483 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 3 . 538 . 1 1 3 LYS CE C -15.195 -0.868 1.068 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 3 . 539 . 1 1 3 LYS CG C -13.031 0.379 1.312 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 3 . 540 . 1 1 3 LYS H H -11.289 3.363 0.616 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 3 . 541 . 1 1 3 LYS HA H -10.784 1.240 2.588 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 3 . 542 . 1 1 3 LYS HB2 H -11.738 0.961 -0.262 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 3 . 543 . 1 1 3 LYS HB3 H -11.148 -0.382 0.705 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 3 . 544 . 1 1 3 LYS HD2 H -13.928 -0.228 -0.518 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 3 . 545 . 1 1 3 LYS HD3 H -13.275 -1.549 0.450 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 3 . 546 . 1 1 3 LYS HE2 H -15.081 -1.259 2.067 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 3 . 547 . 1 1 3 LYS HE3 H -15.733 0.068 1.105 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 3 . 548 . 1 1 3 LYS HG2 H -12.948 0.007 2.322 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 3 . 549 . 1 1 3 LYS HG3 H -13.550 1.326 1.314 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 3 . 550 . 1 1 3 LYS HZ1 H -15.451 -2.740 0.189 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 3 . 551 . 1 1 3 LYS HZ2 H -16.109 -1.466 -0.708 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 3 . 552 . 1 1 3 LYS HZ3 H -16.896 -2.015 0.685 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 3 . 553 . 1 1 3 LYS N N -11.294 2.896 1.480 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 3 . 554 . 1 1 3 LYS NZ N -15.966 -1.839 0.252 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 3 . 555 . 1 1 3 LYS O O -9.051 2.003 -0.046 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 3 . 556 . 1 1 4 ARG C C -6.832 -0.304 0.470 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 3 . 557 . 1 1 4 ARG CA C -7.060 0.830 1.464 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 3 . 558 . 1 1 4 ARG CB C -6.199 0.631 2.714 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 3 . 559 . 1 1 4 ARG CD C -3.893 0.538 3.713 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 3 . 560 . 1 1 4 ARG CG C -4.706 0.661 2.436 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 3 . 561 . 1 1 4 ARG CZ C -3.395 -1.163 5.431 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 3 . 562 . 1 1 4 ARG H H -8.763 0.510 2.671 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 3 . 563 . 1 1 4 ARG HA H -6.786 1.763 0.996 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 3 . 564 . 1 1 4 ARG HB2 H -6.428 1.413 3.423 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 3 . 565 . 1 1 4 ARG HB3 H -6.441 -0.324 3.157 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 3 . 566 . 1 1 4 ARG HD2 H -2.845 0.610 3.465 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 3 . 567 . 1 1 4 ARG HD3 H -4.161 1.350 4.372 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 3 . 568 . 1 1 4 ARG HE H -4.874 -1.287 4.086 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 3 . 569 . 1 1 4 ARG HG2 H -4.456 -0.162 1.782 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 3 . 570 . 1 1 4 ARG HG3 H -4.460 1.594 1.952 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 3 . 571 . 1 1 4 ARG HH11 H -2.160 0.443 5.455 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 3 . 572 . 1 1 4 ARG HH12 H -1.834 -0.761 6.659 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 3 . 573 . 1 1 4 ARG HH21 H -4.434 -2.886 5.666 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 3 . 574 . 1 1 4 ARG HH22 H -3.122 -2.652 6.776 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 3 . 575 . 1 1 4 ARG N N -8.463 0.909 1.826 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 3 . 576 . 1 1 4 ARG NE N -4.128 -0.730 4.405 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 3 . 577 . 1 1 4 ARG NH1 N -2.382 -0.435 5.882 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 3 . 578 . 1 1 4 ARG NH2 N -3.672 -2.325 6.003 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 3 . 579 . 1 1 4 ARG O O -6.599 -1.450 0.856 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 3 . 580 . 1 1 5 ARG C C -5.188 -1.197 -2.027 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 3 . 581 . 1 1 5 ARG CA C -6.683 -0.963 -1.863 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 3 . 582 . 1 1 5 ARG CB C -7.302 -0.504 -3.187 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 3 . 583 . 1 1 5 ARG CD C -7.335 1.174 -5.058 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 3 . 584 . 1 1 5 ARG CG C -6.770 0.828 -3.690 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 3 . 585 . 1 1 5 ARG CZ C -9.538 1.509 -6.122 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 3 . 586 . 1 1 5 ARG H H -7.154 0.938 -1.060 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 3 . 587 . 1 1 5 ARG HA H -7.149 -1.890 -1.560 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 3 . 588 . 1 1 5 ARG HB2 H -7.104 -1.251 -3.939 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 3 . 589 . 1 1 5 ARG HB3 H -8.371 -0.413 -3.058 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 3 . 590 . 1 1 5 ARG HD2 H -6.948 2.137 -5.358 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 3 . 591 . 1 1 5 ARG HD3 H -7.016 0.424 -5.767 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 3 . 592 . 1 1 5 ARG HE H -9.249 1.050 -4.196 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 3 . 593 . 1 1 5 ARG HG2 H -7.049 1.601 -2.992 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 3 . 594 . 1 1 5 ARG HG3 H -5.693 0.771 -3.757 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 3 . 595 . 1 1 5 ARG HH11 H -7.962 1.791 -7.368 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 3 . 596 . 1 1 5 ARG HH12 H -9.528 1.993 -8.092 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 3 . 597 . 1 1 5 ARG HH21 H -11.306 1.304 -5.150 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 3 . 598 . 1 1 5 ARG HH22 H -11.427 1.723 -6.830 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 3 . 599 . 1 1 5 ARG N N -6.922 0.017 -0.813 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 3 . 600 . 1 1 5 ARG NE N -8.795 1.232 -5.052 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 3 . 601 . 1 1 5 ARG NH1 N -8.962 1.786 -7.287 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 3 . 602 . 1 1 5 ARG NH2 N -10.863 1.511 -6.027 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 3 . 603 . 1 1 5 ARG O O -4.760 -2.212 -2.577 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 3 . 604 . 1 1 6 GLN C C -2.474 -1.245 -0.422 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 3 . 605 . 1 1 6 GLN CA C -2.955 -0.372 -1.570 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 3 . 606 . 1 1 6 GLN CB C -2.294 1.005 -1.487 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 3 . 607 . 1 1 6 GLN CD C -1.838 3.217 -2.618 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 3 . 608 . 1 1 6 GLN CG C -2.553 1.881 -2.699 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 3 . 609 . 1 1 6 GLN H H -4.806 0.555 -1.148 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 3 . 610 . 1 1 6 GLN HA H -2.679 -0.839 -2.503 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 3 . 611 . 1 1 6 GLN HB2 H -2.668 1.516 -0.613 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 3 . 612 . 1 1 6 GLN HB3 H -1.227 0.873 -1.385 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 3 . 613 . 1 1 6 GLN HE21 H -1.998 3.226 -0.638 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 3 . 614 . 1 1 6 GLN HE22 H -1.197 4.591 -1.334 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 3 . 615 . 1 1 6 GLN HG2 H -2.213 1.362 -3.582 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 3 . 616 . 1 1 6 GLN HG3 H -3.615 2.061 -2.777 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 3 . 617 . 1 1 6 GLN N N -4.400 -0.250 -1.542 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 3 . 618 . 1 1 6 GLN NE2 N -1.660 3.729 -1.410 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 3 . 619 . 1 1 6 GLN O O -3.206 -1.490 0.539 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 3 . 620 . 1 1 6 GLN OE1 O -1.454 3.790 -3.638 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 3 . 621 . 1 1 7 . C C 0.623 -1.894 1.023 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 3 . 622 . 1 1 7 . CA C -0.650 -2.548 0.501 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 3 . 623 . 1 1 7 . CB C -0.367 -3.953 -0.039 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 3 . 624 . 1 1 7 . CG C 0.451 -3.979 -1.318 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 3 . 625 . 1 1 7 . H H -0.725 -1.507 -1.338 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 3 . 626 . 1 1 7 . HA H -1.357 -2.625 1.308 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 3 . 627 . 1 1 7 . HB2 H -1.308 -4.446 -0.231 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 3 . 628 . 1 1 7 . HB3 H 0.171 -4.511 0.713 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 3 . 629 . 1 1 7 . HD1 H 2.025 -2.782 -0.600 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 3 . 630 . 1 1 7 . HG2 H 0.011 -3.289 -2.025 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 3 . 631 . 1 1 7 . HG3 H 0.415 -4.973 -1.722 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 3 . 632 . 1 1 7 . N N -1.248 -1.719 -0.533 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 3 . 633 . 1 1 7 . ND N 1.846 -3.608 -1.098 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 3 . 634 . 1 1 7 . O O 1.542 -2.574 1.472 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 3 . 635 . 1 1 8 SER C C 2.927 0.136 0.320 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 3 . 636 . 1 1 8 SER CA C 1.791 0.269 1.324 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 3 . 637 . 1 1 8 SER CB C 2.317 -0.066 2.728 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 3 . 638 . 1 1 8 SER H H -0.163 -0.107 0.622 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 3 . 639 . 1 1 8 SER HA H 1.457 1.296 1.320 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 3 . 640 . 1 1 8 SER HB2 H 2.783 0.811 3.154 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 3 . 641 . 1 1 8 SER HB3 H 1.492 -0.372 3.354 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 3 . 642 . 1 1 8 SER HG H 2.835 -1.932 2.395 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 3 . 643 . 1 1 8 SER N N 0.643 -0.562 0.945 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 3 . 644 . 1 1 8 SER O O 3.208 -0.946 -0.207 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 3 . 645 . 1 1 8 SER OG O 3.273 -1.116 2.688 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 3 . 646 . 1 1 9 MET C C 5.934 0.613 -0.010 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 3 . 647 . 1 1 9 MET CA C 4.784 1.274 -0.755 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 3 . 648 . 1 1 9 MET CB C 5.151 2.716 -1.113 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 3 . 649 . 1 1 9 MET CE C 6.049 5.260 -2.786 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 3 . 650 . 1 1 9 MET CG C 4.132 3.398 -2.008 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 3 . 651 . 1 1 9 MET H H 3.268 2.096 0.462 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 3 . 652 . 1 1 9 MET HA H 4.581 0.720 -1.658 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 3 . 653 . 1 1 9 MET HB2 H 5.237 3.288 -0.202 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 3 . 654 . 1 1 9 MET HB3 H 6.102 2.717 -1.621 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 3 . 655 . 1 1 9 MET HE1 H 6.081 4.752 -3.738 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 3 . 656 . 1 1 9 MET HE2 H 6.733 4.784 -2.101 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 3 . 657 . 1 1 9 MET HE3 H 6.334 6.293 -2.920 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 3 . 658 . 1 1 9 MET HG2 H 4.203 2.976 -2.999 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 3 . 659 . 1 1 9 MET HG3 H 3.145 3.213 -1.610 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 3 . 660 . 1 1 9 MET N N 3.591 1.253 0.072 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 3 . 661 . 1 1 9 MET O O 7.011 0.406 -0.563 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 3 . 662 . 1 1 9 MET SD S 4.385 5.182 -2.123 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 3 . 663 . 1 1 10 THR C C 6.899 -1.790 1.762 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 3 . 664 . 1 1 10 THR CA C 6.676 -0.324 2.109 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 3 . 665 . 1 1 10 THR CB C 6.242 -0.178 3.575 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 3 . 666 . 1 1 10 THR CG2 C 7.397 -0.440 4.522 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 3 . 667 . 1 1 10 THR H H 4.770 0.393 1.602 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 3 . 668 . 1 1 10 THR HA H 7.594 0.212 1.966 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 3 . 669 . 1 1 10 THR HB H 5.454 -0.890 3.778 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 3 . 670 . 1 1 10 THR HG1 H 6.267 1.771 3.262 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 3 . 671 . 1 1 10 THR HG21 H 8.186 0.267 4.326 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 3 . 672 . 1 1 10 THR HG22 H 7.765 -1.443 4.370 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 3 . 673 . 1 1 10 THR HG23 H 7.060 -0.331 5.541 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 3 . 674 . 1 1 10 THR N N 5.675 0.261 1.244 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 3 . 675 . 1 1 10 THR O O 7.906 -2.392 2.138 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 3 . 676 . 1 1 10 THR OG1 O 5.746 1.151 3.789 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 3 . 677 . 1 1 11 GLU C C 7.108 -3.743 -0.614 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 3 . 678 . 1 1 11 GLU CA C 6.118 -3.727 0.547 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 3 . 679 . 1 1 11 GLU CB C 4.776 -4.321 0.115 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 3 . 680 . 1 1 11 GLU CD C 2.875 -4.302 -1.529 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 3 . 681 . 1 1 11 GLU CG C 4.226 -3.737 -1.173 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 3 . 682 . 1 1 11 GLU H H 5.134 -1.869 0.830 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 3 . 683 . 1 1 11 GLU HA H 6.523 -4.317 1.352 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 3 . 684 . 1 1 11 GLU HB2 H 4.896 -5.380 -0.021 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 3 . 685 . 1 1 11 GLU HB3 H 4.052 -4.149 0.899 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 3 . 686 . 1 1 11 GLU HG2 H 4.131 -2.667 -1.058 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 3 . 687 . 1 1 11 GLU HG3 H 4.910 -3.950 -1.973 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 3 . 688 . 1 1 11 GLU N N 5.953 -2.367 1.035 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 3 . 689 . 1 1 11 GLU O O 7.750 -4.757 -0.898 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 3 . 690 . 1 1 11 GLU OE1 O 2.768 -5.326 -2.206 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 3 . 691 . 1 1 12 PHE C C 9.458 -1.876 -1.944 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 3 . 692 . 1 1 12 PHE CA C 8.125 -2.452 -2.407 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 3 . 693 . 1 1 12 PHE CB C 7.507 -1.544 -3.475 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 3 . 694 . 1 1 12 PHE CD1 C 5.048 -1.181 -3.811 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 3 . 695 . 1 1 12 PHE CD2 C 5.998 -3.240 -4.546 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 3 . 696 . 1 1 12 PHE CE1 C 3.805 -1.595 -4.247 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 3 . 697 . 1 1 12 PHE CE2 C 4.756 -3.659 -4.985 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 3 . 698 . 1 1 12 PHE CG C 6.157 -1.998 -3.954 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 3 . 699 . 1 1 12 PHE CZ C 3.658 -2.834 -4.837 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 3 . 700 . 1 1 12 PHE H H 6.698 -1.832 -0.980 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 3 . 701 . 1 1 12 PHE HA H 8.293 -3.428 -2.828 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 3 . 702 . 1 1 12 PHE HB2 H 7.396 -0.549 -3.070 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 3 . 703 . 1 1 12 PHE HB3 H 8.168 -1.505 -4.329 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 3 . 704 . 1 1 12 PHE HD1 H 5.161 -0.210 -3.352 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 3 . 705 . 1 1 12 PHE HD2 H 6.856 -3.886 -4.662 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 3 . 706 . 1 1 12 PHE HE1 H 2.947 -0.948 -4.129 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 3 . 707 . 1 1 12 PHE HE2 H 4.645 -4.629 -5.445 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 3 . 708 . 1 1 12 PHE HZ H 2.688 -3.160 -5.179 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 3 . 709 . 1 1 12 PHE N N 7.223 -2.601 -1.276 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 3 . 710 . 1 1 12 PHE O O 10.498 -2.530 -2.027 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 3 . 711 . 1 1 13 TYR C C 10.981 -0.386 0.400 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 3 . 712 . 1 1 13 TYR CA C 10.604 0.054 -1.007 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 3 . 713 . 1 1 13 TYR CB C 10.371 1.568 -1.047 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 3 . 714 . 1 1 13 TYR CD1 C 10.913 2.465 -3.348 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 3 . 715 . 1 1 13 TYR CD2 C 8.622 2.170 -2.764 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 3 . 716 . 1 1 13 TYR CE1 C 10.539 2.925 -4.595 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 3 . 717 . 1 1 13 TYR CE2 C 8.240 2.630 -4.008 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 3 . 718 . 1 1 13 TYR CG C 9.962 2.080 -2.412 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 3 . 719 . 1 1 13 TYR CZ C 9.202 3.006 -4.919 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 3 . 720 . 1 1 13 TYR H H 8.538 -0.206 -1.356 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 3 . 721 . 1 1 13 TYR HA H 11.409 -0.198 -1.680 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 3 . 722 . 1 1 13 TYR HB2 H 9.588 1.823 -0.351 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 3 . 723 . 1 1 13 TYR HB3 H 11.282 2.073 -0.761 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 3 . 724 . 1 1 13 TYR HD1 H 11.958 2.402 -3.089 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 3 . 725 . 1 1 13 TYR HD2 H 7.871 1.875 -2.048 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 3 . 726 . 1 1 13 TYR HE1 H 11.292 3.221 -5.309 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 3 . 727 . 1 1 13 TYR HE2 H 7.194 2.693 -4.262 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 3 . 728 . 1 1 13 TYR HH H 8.185 4.182 -6.060 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 3 . 729 . 1 1 13 TYR N N 9.411 -0.649 -1.450 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 3 . 730 . 1 1 13 TYR O O 10.115 -0.732 1.203 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 3 . 731 . 1 1 13 TYR OH O 8.823 3.462 -6.163 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 3 . 732 . 1 1 14 HIS C C 13.994 -0.045 2.397 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 3 . 733 . 1 1 14 HIS CA C 12.767 -0.838 1.985 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 3 . 734 . 1 1 14 HIS CB C 13.114 -2.331 1.925 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 3 . 735 . 1 1 14 HIS CD2 C 11.019 -3.609 2.753 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 3 . 736 . 1 1 14 HIS CE1 C 10.478 -4.592 0.875 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 3 . 737 . 1 1 14 HIS CG C 11.924 -3.232 1.822 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 3 . 738 . 1 1 14 HIS H H 12.908 -0.001 0.046 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 3 . 739 . 1 1 14 HIS HA H 11.991 -0.686 2.720 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 3 . 740 . 1 1 14 HIS HB2 H 13.740 -2.511 1.064 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 3 . 741 . 1 1 14 HIS HB3 H 13.658 -2.599 2.819 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 3 . 742 . 1 1 14 HIS HD1 H 12.021 -3.793 -0.208 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 3 . 743 . 1 1 14 HIS HD2 H 11.004 -3.304 3.789 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 3 . 744 . 1 1 14 HIS HE1 H 9.966 -5.196 0.141 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 3 . 745 . 1 1 14 HIS HE2 H 9.269 -4.738 2.516 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 3 . 746 . 1 1 14 HIS N N 12.269 -0.362 0.701 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 3 . 747 . 1 1 14 HIS ND1 N 11.557 -3.866 0.657 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 3 . 748 . 1 1 14 HIS NE2 N 10.131 -4.456 2.139 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 3 . 749 . 1 1 14 HIS O O 15.097 -0.346 1.894 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 3 . 750 . 1 1 14 HIS OXT O 13.846 0.882 3.217 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 4 . 751 . 1 1 1 GLY C C -6.945 2.066 4.492 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 4 . 752 . 1 1 1 GLY CA C -7.093 2.986 5.681 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 4 . 753 . 1 1 1 GLY H1 H -5.056 3.208 6.051 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 4 . 754 . 1 1 1 GLY H2 H -6.014 4.421 6.734 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 4 . 755 . 1 1 1 GLY H3 H -5.713 4.420 5.072 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 4 . 756 . 1 1 1 GLY HA2 H -7.272 2.389 6.562 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 4 . 757 . 1 1 1 GLY HA3 H -7.941 3.633 5.518 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 4 . 758 . 1 1 1 GLY N N -5.886 3.816 5.900 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 4 . 759 . 1 1 1 GLY O O -5.885 2.018 3.864 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 4 . 760 . 1 1 2 ARG C C -9.118 0.707 2.090 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 4 . 761 . 1 1 2 ARG CA C -7.992 0.391 3.068 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 4 . 762 . 1 1 2 ARG CB C -8.145 -1.045 3.582 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 4 . 763 . 1 1 2 ARG CD C -7.258 -2.892 5.034 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 4 . 764 . 1 1 2 ARG CG C -6.992 -1.512 4.452 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 4 . 765 . 1 1 2 ARG CZ C -9.218 -3.974 6.068 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 4 . 766 . 1 1 2 ARG H H -8.826 1.428 4.715 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 4 . 767 . 1 1 2 ARG HA H -7.047 0.486 2.558 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 4 . 768 . 1 1 2 ARG HB2 H -9.053 -1.112 4.162 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 4 . 769 . 1 1 2 ARG HB3 H -8.220 -1.711 2.735 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 4 . 770 . 1 1 2 ARG HD2 H -7.403 -3.589 4.222 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 4 . 771 . 1 1 2 ARG HD3 H -6.401 -3.194 5.618 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 4 . 772 . 1 1 2 ARG HE H -8.675 -2.065 6.347 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 4 . 773 . 1 1 2 ARG HG2 H -6.097 -1.553 3.851 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 4 . 774 . 1 1 2 ARG HG3 H -6.854 -0.809 5.260 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 4 . 775 . 1 1 2 ARG HH11 H -8.113 -5.202 4.887 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 4 . 776 . 1 1 2 ARG HH12 H -9.506 -5.933 5.618 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 4 . 777 . 1 1 2 ARG HH21 H -10.519 -3.019 7.298 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 4 . 778 . 1 1 2 ARG HH22 H -10.875 -4.689 6.989 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 4 . 779 . 1 1 2 ARG N N -8.005 1.333 4.180 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 4 . 780 . 1 1 2 ARG NE N -8.443 -2.906 5.886 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 4 . 781 . 1 1 2 ARG NH1 N -8.922 -5.128 5.477 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 4 . 782 . 1 1 2 ARG NH2 N -10.289 -3.888 6.847 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 4 . 783 . 1 1 2 ARG O O -9.714 -0.196 1.503 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 4 . 784 . 1 1 3 LYS C C -10.101 2.586 -0.379 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 4 . 785 . 1 1 3 LYS CA C -10.517 2.416 1.082 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 4 . 786 . 1 1 3 LYS CB C -11.124 3.721 1.615 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 4 . 787 . 1 1 3 LYS CD C -10.821 6.170 2.089 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 4 . 788 . 1 1 3 LYS CE C -9.853 7.337 2.060 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 4 . 789 . 1 1 3 LYS CG C -10.148 4.885 1.644 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 4 . 790 . 1 1 3 LYS H H -8.837 2.669 2.348 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 4 . 791 . 1 1 3 LYS HA H -11.267 1.642 1.133 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 4 . 792 . 1 1 3 LYS HB2 H -11.959 3.997 0.988 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 4 . 793 . 1 1 3 LYS HB3 H -11.482 3.554 2.622 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 4 . 794 . 1 1 3 LYS HD2 H -11.646 6.383 1.426 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 4 . 795 . 1 1 3 LYS HD3 H -11.190 6.043 3.097 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 4 . 796 . 1 1 3 LYS HE2 H -9.034 7.124 2.731 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 4 . 797 . 1 1 3 LYS HE3 H -9.473 7.447 1.055 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 4 . 798 . 1 1 3 LYS HG2 H -9.347 4.653 2.331 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 4 . 799 . 1 1 3 LYS HG3 H -9.743 5.025 0.652 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 4 . 800 . 1 1 3 LYS HZ1 H -10.882 8.516 3.437 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 4 . 801 . 1 1 3 LYS HZ2 H -11.274 8.846 1.827 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 4 . 802 . 1 1 3 LYS HZ3 H -9.805 9.381 2.465 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 4 . 803 . 1 1 3 LYS N N -9.398 1.992 1.913 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 4 . 804 . 1 1 3 LYS NZ N -10.498 8.607 2.476 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 4 . 805 . 1 1 3 LYS O O -10.872 2.270 -1.286 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 4 . 806 . 1 1 4 ARG C C -7.094 2.636 -2.252 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 4 . 807 . 1 1 4 ARG CA C -8.427 3.324 -1.975 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 4 . 808 . 1 1 4 ARG CB C -8.307 4.830 -2.245 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 4 . 809 . 1 1 4 ARG CD C -7.113 6.982 -1.718 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 4 . 810 . 1 1 4 ARG CG C -7.424 5.571 -1.252 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 4 . 811 . 1 1 4 ARG CZ C -8.300 9.094 -2.168 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 4 . 812 . 1 1 4 ARG H H -8.287 3.252 0.142 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 4 . 813 . 1 1 4 ARG HA H -9.166 2.912 -2.646 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 4 . 814 . 1 1 4 ARG HB2 H -7.896 4.974 -3.233 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 4 . 815 . 1 1 4 ARG HB3 H -9.295 5.267 -2.210 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 4 . 816 . 1 1 4 ARG HD2 H -6.482 7.457 -0.983 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 4 . 817 . 1 1 4 ARG HD3 H -6.587 6.926 -2.660 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 4 . 818 . 1 1 4 ARG HE H -9.186 7.332 -1.812 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 4 . 819 . 1 1 4 ARG HG2 H -7.934 5.622 -0.303 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 4 . 820 . 1 1 4 ARG HG3 H -6.498 5.027 -1.137 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 4 . 821 . 1 1 4 ARG HH11 H -6.277 9.244 -2.158 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 4 . 822 . 1 1 4 ARG HH12 H -7.132 10.721 -2.483 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 4 . 823 . 1 1 4 ARG HH21 H -10.319 9.281 -2.251 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 4 . 824 . 1 1 4 ARG HH22 H -9.423 10.743 -2.533 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 4 . 825 . 1 1 4 ARG N N -8.887 3.071 -0.612 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 4 . 826 . 1 1 4 ARG NE N -8.317 7.789 -1.897 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 4 . 827 . 1 1 4 ARG NH1 N -7.143 9.737 -2.278 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 4 . 828 . 1 1 4 ARG NH2 N -9.438 9.757 -2.331 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 4 . 829 . 1 1 4 ARG O O -6.908 2.025 -3.305 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 4 . 830 . 1 1 5 ARG C C -4.314 1.606 -0.172 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 4 . 831 . 1 1 5 ARG CA C -4.850 2.159 -1.481 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 4 . 832 . 1 1 5 ARG CB C -3.878 3.202 -2.039 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 4 . 833 . 1 1 5 ARG CD C -1.524 3.742 -2.745 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 4 . 834 . 1 1 5 ARG CG C -2.438 2.713 -2.105 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 4 . 835 . 1 1 5 ARG CZ C -1.267 4.882 -4.919 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 4 . 836 . 1 1 5 ARG H H -6.385 3.190 -0.470 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 4 . 837 . 1 1 5 ARG HA H -4.936 1.348 -2.189 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 4 . 838 . 1 1 5 ARG HB2 H -4.190 3.471 -3.038 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 4 . 839 . 1 1 5 ARG HB3 H -3.909 4.080 -1.413 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 4 . 840 . 1 1 5 ARG HD2 H -1.591 4.664 -2.185 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 4 . 841 . 1 1 5 ARG HD3 H -0.510 3.375 -2.712 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 4 . 842 . 1 1 5 ARG HE H -2.647 3.495 -4.505 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 4 . 843 . 1 1 5 ARG HG2 H -2.091 2.515 -1.103 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 4 . 844 . 1 1 5 ARG HG3 H -2.402 1.802 -2.686 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 4 . 845 . 1 1 5 ARG HH11 H 0.097 5.436 -3.523 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 4 . 846 . 1 1 5 ARG HH12 H 0.239 6.231 -5.058 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 4 . 847 . 1 1 5 ARG HH21 H -2.468 4.541 -6.515 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 4 . 848 . 1 1 5 ARG HH22 H -1.232 5.732 -6.758 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 4 . 849 . 1 1 5 ARG N N -6.171 2.730 -1.306 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 4 . 850 . 1 1 5 ARG NE N -1.888 4.004 -4.135 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 4 . 851 . 1 1 5 ARG NH1 N -0.228 5.572 -4.463 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 4 . 852 . 1 1 5 ARG NH2 N -1.686 5.064 -6.164 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 4 . 853 . 1 1 5 ARG O O -4.157 2.337 0.808 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 4 . 854 . 1 1 6 GLN C C -2.851 -1.686 0.474 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 4 . 855 . 1 1 6 GLN CA C -3.379 -0.336 0.939 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 4 . 856 . 1 1 6 GLN CB C -4.295 -0.498 2.154 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 4 . 857 . 1 1 6 GLN CD C -2.465 0.104 3.789 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 4 . 858 . 1 1 6 GLN CG C -3.543 -0.896 3.415 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 4 . 859 . 1 1 6 GLN H H -4.353 -0.237 -0.924 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 4 . 860 . 1 1 6 GLN HA H -2.539 0.288 1.213 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 4 . 861 . 1 1 6 GLN HB2 H -4.800 0.438 2.338 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 4 . 862 . 1 1 6 GLN HB3 H -5.029 -1.260 1.941 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 4 . 863 . 1 1 6 GLN HE21 H -3.735 1.076 4.960 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 4 . 864 . 1 1 6 GLN HE22 H -2.128 1.711 4.902 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 4 . 865 . 1 1 6 GLN HG2 H -4.245 -0.968 4.231 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 4 . 866 . 1 1 6 GLN HG3 H -3.080 -1.859 3.254 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 4 . 867 . 1 1 6 GLN N N -4.061 0.309 -0.161 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 4 . 868 . 1 1 6 GLN NE2 N -2.811 1.062 4.630 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 4 . 869 . 1 1 6 GLN O O -3.229 -2.743 0.987 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 4 . 870 . 1 1 6 GLN OE1 O -1.326 0.012 3.331 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 4 . 871 . 1 1 7 . C C -0.192 -3.226 -0.123 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 4 . 872 . 1 1 7 . CA C -1.331 -2.819 -1.056 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 4 . 873 . 1 1 7 . CB C -0.830 -2.573 -2.488 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 4 . 874 . 1 1 7 . CG C -0.118 -1.245 -2.700 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 4 . 875 . 1 1 7 . H H -1.827 -0.769 -0.961 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 4 . 876 . 1 1 7 . HA H -2.052 -3.615 -1.080 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 4 . 877 . 1 1 7 . HB2 H -1.679 -2.605 -3.155 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 4 . 878 . 1 1 7 . HB3 H -0.149 -3.361 -2.761 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 4 . 879 . 1 1 7 . HD1 H 1.335 -1.628 -1.217 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 4 . 880 . 1 1 7 . HG2 H -0.725 -0.454 -2.291 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 4 . 881 . 1 1 7 . HG3 H -0.011 -1.091 -3.758 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 4 . 882 . 1 1 7 . N N -2.003 -1.634 -0.543 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 4 . 883 . 1 1 7 . ND N 1.207 -1.189 -2.085 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 4 . 884 . 1 1 7 . O O -0.111 -2.719 0.995 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 4 . 885 . 1 1 8 SER C C 2.497 -3.412 0.914 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 4 . 886 . 1 1 8 SER CA C 1.826 -4.584 0.200 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 4 . 887 . 1 1 8 SER CB C 2.835 -5.257 -0.736 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 4 . 888 . 1 1 8 SER H H 0.498 -4.562 -1.443 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 4 . 889 . 1 1 8 SER HA H 1.494 -5.301 0.935 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 4 . 890 . 1 1 8 SER HB2 H 2.448 -6.215 -1.048 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 4 . 891 . 1 1 8 SER HB3 H 2.988 -4.633 -1.602 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 4 . 892 . 1 1 8 SER HG H 3.997 -6.160 0.569 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 4 . 893 . 1 1 8 SER N N 0.660 -4.150 -0.571 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 4 . 894 . 1 1 8 SER O O 2.815 -2.399 0.299 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 4 . 895 . 1 1 8 SER OG O 4.086 -5.461 -0.093 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 4 . 896 . 1 1 9 MET C C 4.865 -2.493 2.581 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 4 . 897 . 1 1 9 MET CA C 3.395 -2.523 2.983 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 4 . 898 . 1 1 9 MET CB C 3.249 -2.773 4.489 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 4 . 899 . 1 1 9 MET CE C 1.431 -0.354 5.642 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 4 . 900 . 1 1 9 MET CG C 3.858 -1.676 5.355 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 4 . 901 . 1 1 9 MET H H 2.374 -4.355 2.676 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 4 . 902 . 1 1 9 MET HA H 2.949 -1.571 2.737 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 4 . 903 . 1 1 9 MET HB2 H 2.198 -2.849 4.729 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 4 . 904 . 1 1 9 MET HB3 H 3.732 -3.706 4.735 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 4 . 905 . 1 1 9 MET HE1 H 0.847 0.546 5.522 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 4 . 906 . 1 1 9 MET HE2 H 1.449 -0.636 6.686 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 4 . 907 . 1 1 9 MET HE3 H 0.991 -1.151 5.062 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 4 . 908 . 1 1 9 MET HG2 H 3.726 -1.941 6.392 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 4 . 909 . 1 1 9 MET HG3 H 4.915 -1.611 5.136 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 4 . 910 . 1 1 9 MET N N 2.701 -3.548 2.218 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 4 . 911 . 1 1 9 MET O O 5.565 -1.498 2.780 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 4 . 912 . 1 1 9 MET SD S 3.107 -0.056 5.076 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 4 . 913 . 1 1 10 THR C C 6.885 -2.859 0.248 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 4 . 914 . 1 1 10 THR CA C 6.686 -3.689 1.513 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 4 . 915 . 1 1 10 THR CB C 7.055 -5.159 1.247 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 4 . 916 . 1 1 10 THR CG2 C 8.551 -5.323 1.040 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 4 . 917 . 1 1 10 THR H H 4.711 -4.341 1.832 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 4 . 918 . 1 1 10 THR HA H 7.328 -3.306 2.286 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 4 . 919 . 1 1 10 THR HB H 6.541 -5.490 0.356 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 4 . 920 . 1 1 10 THR HG1 H 6.070 -5.440 2.940 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 4 . 921 . 1 1 10 THR HG21 H 8.777 -6.362 0.860 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 4 . 922 . 1 1 10 THR HG22 H 9.074 -4.986 1.921 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 4 . 923 . 1 1 10 THR HG23 H 8.861 -4.734 0.191 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 4 . 924 . 1 1 10 THR N N 5.319 -3.584 1.976 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 4 . 925 . 1 1 10 THR O O 8.010 -2.503 -0.114 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 4 . 926 . 1 1 10 THR OG1 O 6.636 -5.966 2.359 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 4 . 927 . 1 1 11 GLU C C 6.211 -0.249 -1.152 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 4 . 928 . 1 1 11 GLU CA C 5.838 -1.661 -1.581 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 4 . 929 . 1 1 11 GLU CB C 4.501 -1.650 -2.339 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 4 . 930 . 1 1 11 GLU CD C 2.231 -0.551 -2.622 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 4 . 931 . 1 1 11 GLU CG C 3.523 -0.596 -1.840 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 4 . 932 . 1 1 11 GLU H H 4.912 -2.832 -0.083 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 4 . 933 . 1 1 11 GLU HA H 6.611 -2.041 -2.224 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 4 . 934 . 1 1 11 GLU HB2 H 4.696 -1.464 -3.381 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 4 . 935 . 1 1 11 GLU HB3 H 4.035 -2.619 -2.236 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 4 . 936 . 1 1 11 GLU HG2 H 3.286 -0.811 -0.809 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 4 . 937 . 1 1 11 GLU HG3 H 3.992 0.366 -1.899 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 4 . 938 . 1 1 11 GLU N N 5.778 -2.513 -0.404 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 4 . 939 . 1 1 11 GLU O O 6.858 0.492 -1.890 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 4 . 940 . 1 1 11 GLU OE1 O 2.139 0.108 -3.658 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 4 . 941 . 1 1 12 PHE C C 7.468 1.434 1.303 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 4 . 942 . 1 1 12 PHE CA C 6.102 1.413 0.630 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 4 . 943 . 1 1 12 PHE CB C 5.011 1.812 1.630 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 4 . 944 . 1 1 12 PHE CD1 C 2.626 1.047 1.433 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 4 . 945 . 1 1 12 PHE CD2 C 3.357 2.846 0.047 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 4 . 946 . 1 1 12 PHE CE1 C 1.363 1.128 0.879 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 4 . 947 . 1 1 12 PHE CE2 C 2.095 2.932 -0.511 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 4 . 948 . 1 1 12 PHE CG C 3.637 1.904 1.025 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 4 . 949 . 1 1 12 PHE CZ C 1.097 2.071 -0.094 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 4 . 950 . 1 1 12 PHE H H 5.382 -0.575 0.634 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 4 . 951 . 1 1 12 PHE HA H 6.106 2.121 -0.187 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 4 . 952 . 1 1 12 PHE HB2 H 4.975 1.077 2.421 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 4 . 953 . 1 1 12 PHE HB3 H 5.256 2.774 2.053 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 4 . 954 . 1 1 12 PHE HD1 H 2.832 0.312 2.196 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 4 . 955 . 1 1 12 PHE HD2 H 4.137 3.519 -0.279 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 4 . 956 . 1 1 12 PHE HE1 H 0.584 0.455 1.206 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 4 . 957 . 1 1 12 PHE HE2 H 1.890 3.670 -1.271 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 4 . 958 . 1 1 12 PHE HZ H 0.110 2.137 -0.528 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 4 . 959 . 1 1 12 PHE N N 5.837 0.092 0.077 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 4 . 960 . 1 1 12 PHE O O 7.625 1.926 2.420 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 4 . 961 . 1 1 13 TYR C C 10.739 0.633 -0.102 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 4 . 962 . 1 1 13 TYR CA C 9.810 0.807 1.094 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 4 . 963 . 1 1 13 TYR CB C 9.949 -0.362 2.081 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 4 . 964 . 1 1 13 TYR CD1 C 11.384 0.584 3.934 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 4 . 965 . 1 1 13 TYR CD2 C 12.242 -1.246 2.671 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 4 . 966 . 1 1 13 TYR CE1 C 12.535 0.601 4.696 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 4 . 967 . 1 1 13 TYR CE2 C 13.395 -1.233 3.426 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 4 . 968 . 1 1 13 TYR CG C 11.218 -0.338 2.908 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 4 . 969 . 1 1 13 TYR CZ C 13.537 -0.309 4.438 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 4 . 970 . 1 1 13 TYR H H 8.239 0.511 -0.279 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 4 . 971 . 1 1 13 TYR HA H 10.045 1.734 1.596 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 4 . 972 . 1 1 13 TYR HB2 H 9.113 -0.344 2.764 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 4 . 973 . 1 1 13 TYR HB3 H 9.930 -1.290 1.528 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 4 . 974 . 1 1 13 TYR HD1 H 10.597 1.296 4.133 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 4 . 975 . 1 1 13 TYR HD2 H 12.128 -1.969 1.878 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 4 . 976 . 1 1 13 TYR HE1 H 12.647 1.326 5.489 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 4 . 977 . 1 1 13 TYR HE2 H 14.179 -1.946 3.224 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 4 . 978 . 1 1 13 TYR HH H 14.449 -0.202 6.132 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 4 . 979 . 1 1 13 TYR N N 8.445 0.884 0.605 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 4 . 980 . 1 1 13 TYR O O 11.770 -0.037 -0.036 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 4 . 981 . 1 1 13 TYR OH O 14.685 -0.300 5.199 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 4 . 982 . 1 1 14 HIS C C 10.868 2.439 -3.255 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 4 . 983 . 1 1 14 HIS CA C 11.069 1.156 -2.462 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 4 . 984 . 1 1 14 HIS CB C 10.588 -0.048 -3.289 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 4 . 985 . 1 1 14 HIS CD2 C 12.213 -2.041 -2.937 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 4 . 986 . 1 1 14 HIS CE1 C 10.935 -3.282 -1.664 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 4 . 987 . 1 1 14 HIS CG C 11.045 -1.377 -2.766 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 4 . 988 . 1 1 14 HIS H H 9.548 1.823 -1.165 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 4 . 989 . 1 1 14 HIS HA H 12.119 1.040 -2.239 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 4 . 990 . 1 1 14 HIS HB2 H 9.509 -0.055 -3.303 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 4 . 991 . 1 1 14 HIS HB3 H 10.953 0.054 -4.301 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 4 . 992 . 1 1 14 HIS HD1 H 9.350 -1.992 -1.662 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 4 . 993 . 1 1 14 HIS HD2 H 13.062 -1.704 -3.515 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 4 . 994 . 1 1 14 HIS HE1 H 10.576 -4.093 -1.048 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 4 . 995 . 1 1 14 HIS HE2 H 12.838 -3.880 -2.127 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 4 . 996 . 1 1 14 HIS N N 10.345 1.254 -1.203 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 4 . 997 . 1 1 14 HIS ND1 N 10.265 -2.186 -1.963 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 4 . 998 . 1 1 14 HIS NE2 N 12.117 -3.220 -2.242 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 4 . 999 . 1 1 14 HIS O O 9.872 2.531 -3.998 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 4 . 1000 . 1 1 14 HIS OXT O 11.689 3.367 -3.101 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 5 . 1001 . 1 1 1 GLY C C -11.245 6.945 1.979 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 5 . 1002 . 1 1 1 GLY CA C -11.411 8.424 2.254 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 5 . 1003 . 1 1 1 GLY H1 H -12.862 9.765 2.919 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 5 . 1004 . 1 1 1 GLY H2 H -13.016 8.207 3.561 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 5 . 1005 . 1 1 1 GLY H3 H -13.469 8.510 1.963 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 5 . 1006 . 1 1 1 GLY HA2 H -11.199 8.974 1.350 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 5 . 1007 . 1 1 1 GLY HA3 H -10.709 8.721 3.020 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 5 . 1008 . 1 1 1 GLY N N -12.785 8.750 2.705 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 5 . 1009 . 1 1 1 GLY O O -10.926 6.170 2.884 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 5 . 1010 . 1 1 2 ARG C C -9.886 4.768 0.176 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 5 . 1011 . 1 1 2 ARG CA C -11.351 5.148 0.351 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 5 . 1012 . 1 1 2 ARG CB C -12.130 4.868 -0.934 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 5 . 1013 . 1 1 2 ARG CD C -13.005 3.149 -2.541 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 5 . 1014 . 1 1 2 ARG CG C -12.179 3.393 -1.293 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 5 . 1015 . 1 1 2 ARG CZ C -13.842 1.225 -3.838 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 5 . 1016 . 1 1 2 ARG H H -11.700 7.212 0.050 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 5 . 1017 . 1 1 2 ARG HA H -11.768 4.556 1.149 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 5 . 1018 . 1 1 2 ARG HB2 H -13.142 5.224 -0.815 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1019 . 1 1 2 ARG HB3 H -11.663 5.401 -1.749 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1020 . 1 1 2 ARG HD2 H -14.005 3.518 -2.373 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1021 . 1 1 2 ARG HD3 H -12.558 3.684 -3.364 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 5 . 1022 . 1 1 2 ARG HE H -12.508 1.113 -2.352 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 5 . 1023 . 1 1 2 ARG HG2 H -11.172 3.044 -1.467 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1024 . 1 1 2 ARG HG3 H -12.613 2.847 -0.471 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1025 . 1 1 2 ARG HH11 H -14.649 3.008 -4.373 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 5 . 1026 . 1 1 2 ARG HH12 H -15.205 1.638 -5.281 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 5 . 1027 . 1 1 2 ARG HH21 H -13.229 -0.683 -3.541 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 5 . 1028 . 1 1 2 ARG HH22 H -14.404 -0.467 -4.801 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 5 . 1029 . 1 1 2 ARG N N -11.465 6.546 0.732 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 5 . 1030 . 1 1 2 ARG NE N -13.073 1.728 -2.877 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 5 . 1031 . 1 1 2 ARG NH1 N -14.628 2.021 -4.555 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 5 . 1032 . 1 1 2 ARG NH2 N -13.824 -0.079 -4.082 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 5 . 1033 . 1 1 2 ARG O O -9.318 4.897 -0.910 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 5 . 1034 . 1 1 3 LYS C C -7.693 2.464 0.997 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 5 . 1035 . 1 1 3 LYS CA C -7.872 3.953 1.257 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 5 . 1036 . 1 1 3 LYS CB C -7.220 4.337 2.587 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 5 . 1037 . 1 1 3 LYS CD C -7.220 4.137 5.089 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 5 . 1038 . 1 1 3 LYS CE C -7.940 3.574 6.303 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 5 . 1039 . 1 1 3 LYS CG C -7.900 3.723 3.798 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 5 . 1040 . 1 1 3 LYS H H -9.796 4.212 2.087 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 5 . 1041 . 1 1 3 LYS HA H -7.393 4.502 0.462 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 5 . 1042 . 1 1 3 LYS HB2 H -6.189 4.013 2.578 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1043 . 1 1 3 LYS HB3 H -7.249 5.410 2.691 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1044 . 1 1 3 LYS HD2 H -6.203 3.772 5.083 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1045 . 1 1 3 LYS HD3 H -7.215 5.216 5.152 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 5 . 1046 . 1 1 3 LYS HE2 H -7.443 3.923 7.193 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 5 . 1047 . 1 1 3 LYS HE3 H -8.958 3.932 6.297 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 5 . 1048 . 1 1 3 LYS HG2 H -8.929 4.050 3.825 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1049 . 1 1 3 LYS HG3 H -7.864 2.648 3.710 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1050 . 1 1 3 LYS HZ1 H -8.416 1.723 5.454 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 5 . 1051 . 1 1 3 LYS HZ2 H -8.464 1.738 7.144 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 5 . 1052 . 1 1 3 LYS HZ3 H -6.977 1.721 6.344 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 5 . 1053 . 1 1 3 LYS N N -9.279 4.312 1.260 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 5 . 1054 . 1 1 3 LYS NZ N -7.949 2.085 6.311 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 5 . 1055 . 1 1 3 LYS O O -8.655 1.693 1.035 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 5 . 1056 . 1 1 4 ARG C C -4.839 0.323 1.186 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 5 . 1057 . 1 1 4 ARG CA C -6.137 0.680 0.473 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 5 . 1058 . 1 1 4 ARG CB C -5.998 0.437 -1.035 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 5 . 1059 . 1 1 4 ARG CD C -7.041 -1.849 -1.104 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 5 . 1060 . 1 1 4 ARG CG C -5.806 -1.023 -1.418 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 5 . 1061 . 1 1 4 ARG CZ C -7.698 -4.227 -1.086 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 5 . 1062 . 1 1 4 ARG H H -5.744 2.742 0.690 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 5 . 1063 . 1 1 4 ARG HA H -6.937 0.070 0.864 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 5 . 1064 . 1 1 4 ARG HB2 H -6.887 0.799 -1.529 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1065 . 1 1 4 ARG HB3 H -5.147 0.995 -1.397 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1066 . 1 1 4 ARG HD2 H -7.234 -1.795 -0.046 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1067 . 1 1 4 ARG HD3 H -7.882 -1.435 -1.642 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 5 . 1068 . 1 1 4 ARG HE H -6.130 -3.474 -2.079 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 5 . 1069 . 1 1 4 ARG HG2 H -5.603 -1.083 -2.477 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1070 . 1 1 4 ARG HG3 H -4.967 -1.421 -0.865 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1071 . 1 1 4 ARG HH11 H -8.868 -3.017 0.048 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 5 . 1072 . 1 1 4 ARG HH12 H -9.330 -4.689 0.028 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 5 . 1073 . 1 1 4 ARG HH21 H -6.734 -5.684 -2.119 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 5 . 1074 . 1 1 4 ARG HH22 H -8.110 -6.211 -1.201 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 5 . 1075 . 1 1 4 ARG N N -6.462 2.070 0.726 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 5 . 1076 . 1 1 4 ARG NE N -6.881 -3.251 -1.484 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 5 . 1077 . 1 1 4 ARG NH1 N -8.713 -3.956 -0.272 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 5 . 1078 . 1 1 4 ARG NH2 N -7.499 -5.473 -1.502 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 5 . 1079 . 1 1 4 ARG O O -3.755 0.666 0.715 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 5 . 1080 . 1 1 5 ARG C C -3.169 -2.009 2.458 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 5 . 1081 . 1 1 5 ARG CA C -3.766 -0.751 3.077 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 5 . 1082 . 1 1 5 ARG CB C -4.100 -0.981 4.557 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 5 . 1083 . 1 1 5 ARG CD C -5.290 -2.332 6.304 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 5 . 1084 . 1 1 5 ARG CG C -5.040 -2.148 4.818 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 5 . 1085 . 1 1 5 ARG CZ C -6.620 -3.790 7.788 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 5 . 1086 . 1 1 5 ARG H H -5.838 -0.556 2.685 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 5 . 1087 . 1 1 5 ARG HA H -3.039 0.045 3.002 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 5 . 1088 . 1 1 5 ARG HB2 H -3.184 -1.163 5.091 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1089 . 1 1 5 ARG HB3 H -4.560 -0.085 4.950 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1090 . 1 1 5 ARG HD2 H -4.340 -2.462 6.802 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1091 . 1 1 5 ARG HD3 H -5.777 -1.447 6.686 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 5 . 1092 . 1 1 5 ARG HE H -6.340 -4.093 5.828 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 5 . 1093 . 1 1 5 ARG HG2 H -5.982 -1.957 4.326 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1094 . 1 1 5 ARG HG3 H -4.598 -3.050 4.418 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1095 . 1 1 5 ARG HH11 H -5.804 -2.174 8.705 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 5 . 1096 . 1 1 5 ARG HH12 H -6.739 -3.218 9.730 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 5 . 1097 . 1 1 5 ARG HH21 H -7.554 -5.485 7.185 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 5 . 1098 . 1 1 5 ARG HH22 H -7.730 -5.098 8.866 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 5 . 1099 . 1 1 5 ARG N N -4.948 -0.340 2.332 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 5 . 1100 . 1 1 5 ARG NE N -6.132 -3.496 6.582 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 5 . 1101 . 1 1 5 ARG NH1 N -6.366 -2.997 8.823 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 5 . 1102 . 1 1 5 ARG NH2 N -7.361 -4.877 7.959 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 5 . 1103 . 1 1 5 ARG O O -1.973 -2.274 2.580 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 5 . 1104 . 1 1 6 GLN C C -3.116 -3.577 -0.335 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 5 . 1105 . 1 1 6 GLN CA C -3.561 -3.959 1.069 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 5 . 1106 . 1 1 6 GLN CB C -4.656 -5.023 1.031 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 5 . 1107 . 1 1 6 GLN CD C -6.002 -6.708 2.350 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 5 . 1108 . 1 1 6 GLN CG C -4.862 -5.712 2.368 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 5 . 1109 . 1 1 6 GLN H H -4.967 -2.546 1.770 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 5 . 1110 . 1 1 6 GLN HA H -2.709 -4.352 1.602 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 5 . 1111 . 1 1 6 GLN HB2 H -5.586 -4.556 0.740 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1112 . 1 1 6 GLN HB3 H -4.392 -5.772 0.299 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1113 . 1 1 6 GLN HE21 H -5.043 -7.855 3.656 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 5 . 1114 . 1 1 6 GLN HE22 H -6.590 -8.431 3.139 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 5 . 1115 . 1 1 6 GLN HG2 H -3.956 -6.233 2.634 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1116 . 1 1 6 GLN HG3 H -5.074 -4.959 3.116 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1117 . 1 1 6 GLN N N -4.014 -2.780 1.784 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 5 . 1118 . 1 1 6 GLN NE2 N -5.865 -7.772 3.123 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 5 . 1119 . 1 1 6 GLN O O -3.820 -3.811 -1.321 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 5 . 1120 . 1 1 6 GLN OE1 O -6.991 -6.527 1.641 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 5 . 1121 . 1 1 7 . C C 0.097 -2.936 -1.724 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 5 . 1122 . 1 1 7 . CA C -1.364 -2.515 -1.654 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 5 . 1123 . 1 1 7 . CB C -1.501 -0.997 -1.786 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 5 . 1124 . 1 1 7 . CG C -1.048 -0.225 -0.558 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 5 . 1125 . 1 1 7 . H H -1.452 -2.807 0.433 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 5 . 1126 . 1 1 7 . HA H -1.904 -2.985 -2.457 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 5 . 1127 . 1 1 7 . HB2 H -2.539 -0.757 -1.972 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1128 . 1 1 7 . HB3 H -0.910 -0.666 -2.628 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1129 . 1 1 7 . HD1 H 0.847 -1.133 -0.393 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 5 . 1130 . 1 1 7 . HG2 H -1.527 -0.649 0.314 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1131 . 1 1 7 . HG3 H -1.358 0.796 -0.670 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1132 . 1 1 7 . N N -1.947 -2.964 -0.400 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 5 . 1133 . 1 1 7 . ND N 0.399 -0.261 -0.365 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 5 . 1134 . 1 1 7 . O O 0.922 -2.255 -2.338 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 5 . 1135 . 1 1 8 SER C C 2.508 -3.811 0.122 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 5 . 1136 . 1 1 8 SER CA C 1.736 -4.603 -0.921 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 5 . 1137 . 1 1 8 SER CB C 2.529 -4.624 -2.240 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 5 . 1138 . 1 1 8 SER H H -0.358 -4.573 -0.685 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 5 . 1139 . 1 1 8 SER HA H 1.636 -5.619 -0.565 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 5 . 1140 . 1 1 8 SER HB2 H 3.224 -5.449 -2.225 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1141 . 1 1 8 SER HB3 H 1.843 -4.748 -3.065 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1142 . 1 1 8 SER HG H 2.637 -2.681 -2.520 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 5 . 1143 . 1 1 8 SER N N 0.385 -4.066 -1.081 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 5 . 1144 . 1 1 8 SER O O 2.450 -2.577 0.172 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 5 . 1145 . 1 1 8 SER OG O 3.261 -3.418 -2.432 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 5 . 1146 . 1 1 9 MET C C 5.306 -3.270 1.212 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 5 . 1147 . 1 1 9 MET CA C 4.126 -3.925 1.929 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 5 . 1148 . 1 1 9 MET CB C 4.610 -4.992 2.918 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 5 . 1149 . 1 1 9 MET CE C 6.712 -6.976 4.100 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 5 . 1150 . 1 1 9 MET CG C 5.515 -4.463 4.018 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 5 . 1151 . 1 1 9 MET H H 3.177 -5.512 0.910 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 5 . 1152 . 1 1 9 MET HA H 3.570 -3.170 2.460 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 5 . 1153 . 1 1 9 MET HB2 H 3.749 -5.450 3.381 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1154 . 1 1 9 MET HB3 H 5.153 -5.749 2.369 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1155 . 1 1 9 MET HE1 H 7.122 -7.783 4.687 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 5 . 1156 . 1 1 9 MET HE2 H 7.493 -6.531 3.501 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 5 . 1157 . 1 1 9 MET HE3 H 5.941 -7.362 3.452 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 5 . 1158 . 1 1 9 MET HG2 H 6.403 -4.047 3.566 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1159 . 1 1 9 MET HG3 H 4.988 -3.685 4.552 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1160 . 1 1 9 MET N N 3.241 -4.532 0.951 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 5 . 1161 . 1 1 9 MET O O 6.101 -2.545 1.812 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 5 . 1162 . 1 1 9 MET SD S 6.009 -5.741 5.195 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 5 . 1163 . 1 1 10 THR C C 6.340 -1.505 -1.143 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 5 . 1164 . 1 1 10 THR CA C 6.470 -3.004 -0.907 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 5 . 1165 . 1 1 10 THR CB C 6.492 -3.744 -2.254 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 5 . 1166 . 1 1 10 THR CG2 C 7.794 -3.499 -2.992 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 5 . 1167 . 1 1 10 THR H H 4.660 -3.999 -0.536 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 5 . 1168 . 1 1 10 THR HA H 7.388 -3.199 -0.389 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 5 . 1169 . 1 1 10 THR HB H 5.673 -3.385 -2.861 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 5 . 1170 . 1 1 10 THR HG1 H 6.802 -5.405 -1.225 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 5 . 1171 . 1 1 10 THR HG21 H 8.616 -3.866 -2.399 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 5 . 1172 . 1 1 10 THR HG22 H 7.916 -2.441 -3.162 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 5 . 1173 . 1 1 10 THR HG23 H 7.772 -4.016 -3.938 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 5 . 1174 . 1 1 10 THR N N 5.378 -3.493 -0.096 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 5 . 1175 . 1 1 10 THR O O 7.321 -0.819 -1.432 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 5 . 1176 . 1 1 10 THR OG1 O 6.329 -5.152 -2.031 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 5 . 1177 . 1 1 11 GLU C C 5.463 1.229 -0.016 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 5 . 1178 . 1 1 11 GLU CA C 4.874 0.426 -1.169 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 5 . 1179 . 1 1 11 GLU CB C 3.374 0.699 -1.284 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 5 . 1180 . 1 1 11 GLU CD C 1.136 0.805 -0.137 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 5 . 1181 . 1 1 11 GLU CG C 2.614 0.547 0.022 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 5 . 1182 . 1 1 11 GLU H H 4.389 -1.593 -0.738 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 5 . 1183 . 1 1 11 GLU HA H 5.358 0.729 -2.080 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 5 . 1184 . 1 1 11 GLU HB2 H 3.234 1.706 -1.638 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1185 . 1 1 11 GLU HB3 H 2.949 0.013 -2.002 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1186 . 1 1 11 GLU HG2 H 2.748 -0.461 0.387 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 5 . 1187 . 1 1 11 GLU HG3 H 3.009 1.239 0.742 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 5 . 1188 . 1 1 11 GLU N N 5.127 -0.997 -0.984 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 5 . 1189 . 1 1 11 GLU O O 5.635 2.445 -0.109 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 5 . 1190 . 1 1 11 GLU OE1 O 0.669 1.939 -0.027 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 5 . 1191 . 1 1 12 PHE C C 7.848 1.086 2.216 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 5 . 1192 . 1 1 12 PHE CA C 6.327 1.172 2.252 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 5 . 1193 . 1 1 12 PHE CB C 5.791 0.516 3.525 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 5 . 1194 . 1 1 12 PHE CD1 C 3.597 1.714 3.775 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 5 . 1195 . 1 1 12 PHE CD2 C 3.577 -0.659 3.559 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 5 . 1196 . 1 1 12 PHE CE1 C 2.218 1.721 3.860 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 5 . 1197 . 1 1 12 PHE CE2 C 2.198 -0.659 3.643 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 5 . 1198 . 1 1 12 PHE CG C 4.292 0.525 3.623 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 5 . 1199 . 1 1 12 PHE CZ C 1.517 0.532 3.793 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 5 . 1200 . 1 1 12 PHE H H 5.576 -0.424 1.090 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 5 . 1201 . 1 1 12 PHE HA H 6.036 2.212 2.244 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 5 . 1202 . 1 1 12 PHE HB2 H 6.120 -0.512 3.556 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1203 . 1 1 12 PHE HB3 H 6.187 1.041 4.383 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1204 . 1 1 12 PHE HD1 H 4.144 2.643 3.825 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 5 . 1205 . 1 1 12 PHE HD2 H 4.110 -1.590 3.444 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1206 . 1 1 12 PHE HE1 H 1.689 2.654 3.980 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 5 . 1207 . 1 1 12 PHE HE2 H 1.652 -1.589 3.589 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 5 . 1208 . 1 1 12 PHE HZ H 0.440 0.534 3.860 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 5 . 1209 . 1 1 12 PHE N N 5.751 0.539 1.076 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 5 . 1210 . 1 1 12 PHE O O 8.543 1.975 2.709 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 5 . 1211 . 1 1 13 TYR C C 10.352 0.523 0.297 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 5 . 1212 . 1 1 13 TYR CA C 9.802 -0.189 1.526 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 5 . 1213 . 1 1 13 TYR CB C 10.153 -1.677 1.471 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 5 . 1214 . 1 1 13 TYR CD1 C 9.064 -3.438 2.911 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 5 . 1215 . 1 1 13 TYR CD2 C 10.676 -2.003 3.910 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 5 . 1216 . 1 1 13 TYR CE1 C 8.891 -4.085 4.117 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 5 . 1217 . 1 1 13 TYR CE2 C 10.508 -2.645 5.119 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 5 . 1218 . 1 1 13 TYR CG C 9.959 -2.387 2.788 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 5 . 1219 . 1 1 13 TYR CZ C 9.614 -3.684 5.217 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 5 . 1220 . 1 1 13 TYR H H 7.759 -0.681 1.291 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 5 . 1221 . 1 1 13 TYR HA H 10.261 0.242 2.403 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 5 . 1222 . 1 1 13 TYR HB2 H 9.525 -2.160 0.738 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1223 . 1 1 13 TYR HB3 H 11.187 -1.785 1.182 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1224 . 1 1 13 TYR HD1 H 8.497 -3.750 2.047 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 5 . 1225 . 1 1 13 TYR HD2 H 11.376 -1.187 3.831 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1226 . 1 1 13 TYR HE1 H 8.190 -4.899 4.195 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 5 . 1227 . 1 1 13 TYR HE2 H 11.074 -2.330 5.980 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 5 . 1228 . 1 1 13 TYR HH H 9.381 -5.280 6.270 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 5 . 1229 . 1 1 13 TYR N N 8.362 0.002 1.646 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 5 . 1230 . 1 1 13 TYR O O 10.490 -0.082 -0.768 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 5 . 1231 . 1 1 13 TYR OH O 9.441 -4.327 6.423 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 5 . 1232 . 1 1 14 HIS C C 10.312 2.700 -1.801 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 5 . 1233 . 1 1 14 HIS CA C 11.242 2.628 -0.597 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 5 . 1234 . 1 1 14 HIS CB C 12.611 2.082 -1.026 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 5 . 1235 . 1 1 14 HIS CD2 C 13.948 1.283 1.046 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 5 . 1236 . 1 1 14 HIS CE1 C 15.361 2.950 1.179 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 5 . 1237 . 1 1 14 HIS CG C 13.655 2.144 0.044 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 5 . 1238 . 1 1 14 HIS H H 10.453 2.231 1.326 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 5 . 1239 . 1 1 14 HIS HA H 11.371 3.625 -0.203 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 5 . 1240 . 1 1 14 HIS HB2 H 12.501 1.049 -1.317 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 5 . 1241 . 1 1 14 HIS HB3 H 12.966 2.651 -1.873 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 5 . 1242 . 1 1 14 HIS HD1 H 14.609 3.965 -0.432 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 5 . 1243 . 1 1 14 HIS HD2 H 13.438 0.357 1.264 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 5 . 1244 . 1 1 14 HIS HE1 H 16.167 3.590 1.506 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 5 . 1245 . 1 1 14 HIS HE2 H 15.413 1.423 2.544 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 5 . 1246 . 1 1 14 HIS N N 10.653 1.809 0.463 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 5 . 1247 . 1 1 14 HIS ND1 N 14.559 3.179 0.156 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 5 . 1248 . 1 1 14 HIS NE2 N 15.010 1.808 1.734 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 5 . 1249 . 1 1 14 HIS O O 10.573 2.006 -2.806 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 5 . 1250 . 1 1 14 HIS OXT O 9.312 3.444 -1.735 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 6 . 1251 . 1 1 1 GLY C C -10.472 6.899 -0.253 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 6 . 1252 . 1 1 1 GLY CA C -10.753 8.366 -0.030 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 6 . 1253 . 1 1 1 GLY H1 H -12.570 8.073 0.938 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 6 . 1254 . 1 1 1 GLY H2 H -11.878 9.588 1.225 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 6 . 1255 . 1 1 1 GLY H3 H -11.249 8.217 1.983 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 6 . 1256 . 1 1 1 GLY HA2 H -11.195 8.779 -0.925 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 6 . 1257 . 1 1 1 GLY HA3 H -9.823 8.877 0.171 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 6 . 1258 . 1 1 1 GLY N N -11.677 8.577 1.108 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 6 . 1259 . 1 1 1 GLY O O -11.368 6.066 -0.117 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 6 . 1260 . 1 1 2 ARG C C -8.177 4.609 0.405 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 6 . 1261 . 1 1 2 ARG CA C -8.853 5.191 -0.824 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 6 . 1262 . 1 1 2 ARG CB C -7.914 5.090 -2.025 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 6 . 1263 . 1 1 2 ARG CD C -7.529 5.565 -4.461 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 6 . 1264 . 1 1 2 ARG CG C -8.553 5.500 -3.341 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 6 . 1265 . 1 1 2 ARG CZ C -5.772 4.142 -5.446 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 6 . 1266 . 1 1 2 ARG H H -8.556 7.281 -0.678 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 6 . 1267 . 1 1 2 ARG HA H -9.750 4.629 -1.030 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 6 . 1268 . 1 1 2 ARG HB2 H -7.058 5.723 -1.853 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1269 . 1 1 2 ARG HB3 H -7.579 4.067 -2.117 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1270 . 1 1 2 ARG HD2 H -8.041 5.781 -5.386 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1271 . 1 1 2 ARG HD3 H -6.829 6.358 -4.245 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 6 . 1272 . 1 1 2 ARG HE H -7.071 3.555 -4.041 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 6 . 1273 . 1 1 2 ARG HG2 H -9.312 4.777 -3.603 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1274 . 1 1 2 ARG HG3 H -9.006 6.473 -3.222 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1275 . 1 1 2 ARG HH11 H -5.890 6.010 -6.225 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 6 . 1276 . 1 1 2 ARG HH12 H -4.631 5.013 -6.879 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 6 . 1277 . 1 1 2 ARG HH21 H -5.409 2.221 -4.897 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 6 . 1278 . 1 1 2 ARG HH22 H -4.355 2.856 -6.118 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 6 . 1279 . 1 1 2 ARG N N -9.234 6.574 -0.590 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 6 . 1280 . 1 1 2 ARG NE N -6.793 4.309 -4.609 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 6 . 1281 . 1 1 2 ARG NH1 N -5.402 5.132 -6.249 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 6 . 1282 . 1 1 2 ARG NH2 N -5.130 2.981 -5.492 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 6 . 1283 . 1 1 2 ARG O O -7.051 4.976 0.735 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 6 . 1284 . 1 1 3 LYS C C -7.386 1.885 1.753 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 6 . 1285 . 1 1 3 LYS CA C -8.288 3.016 2.231 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 6 . 1286 . 1 1 3 LYS CB C -9.380 2.472 3.153 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 6 . 1287 . 1 1 3 LYS CD C -11.175 2.949 4.841 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 6 . 1288 . 1 1 3 LYS CE C -11.739 3.963 5.825 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 6 . 1289 . 1 1 3 LYS CG C -10.058 3.540 3.996 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 6 . 1290 . 1 1 3 LYS H H -9.789 3.509 0.824 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 6 . 1291 . 1 1 3 LYS HA H -7.689 3.728 2.778 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 6 . 1292 . 1 1 3 LYS HB2 H -10.134 1.987 2.550 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1293 . 1 1 3 LYS HB3 H -8.941 1.745 3.818 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1294 . 1 1 3 LYS HD2 H -11.969 2.619 4.189 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1295 . 1 1 3 LYS HD3 H -10.786 2.105 5.391 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 6 . 1296 . 1 1 3 LYS HE2 H -12.015 4.855 5.284 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 6 . 1297 . 1 1 3 LYS HE3 H -12.615 3.541 6.293 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 6 . 1298 . 1 1 3 LYS HG2 H -9.325 3.990 4.648 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1299 . 1 1 3 LYS HG3 H -10.473 4.293 3.342 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1300 . 1 1 3 LYS HZ1 H -10.449 3.475 7.393 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 6 . 1301 . 1 1 3 LYS HZ2 H -11.186 4.987 7.560 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 6 . 1302 . 1 1 3 LYS HZ3 H -9.920 4.780 6.457 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 6 . 1303 . 1 1 3 LYS N N -8.868 3.711 1.091 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 6 . 1304 . 1 1 3 LYS NZ N -10.755 4.326 6.881 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 6 . 1305 . 1 1 3 LYS O O -7.763 0.713 1.789 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 6 . 1306 . 1 1 4 ARG C C -4.554 0.522 1.895 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 6 . 1307 . 1 1 4 ARG CA C -5.240 1.289 0.770 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 6 . 1308 . 1 1 4 ARG CB C -4.203 2.005 -0.094 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 6 . 1309 . 1 1 4 ARG CD C -3.733 3.435 -2.103 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 6 . 1310 . 1 1 4 ARG CG C -4.791 2.672 -1.325 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 6 . 1311 . 1 1 4 ARG CZ C -2.036 5.133 -1.536 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 6 . 1312 . 1 1 4 ARG H H -5.944 3.198 1.346 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 6 . 1313 . 1 1 4 ARG HA H -5.786 0.590 0.156 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 6 . 1314 . 1 1 4 ARG HB2 H -3.715 2.763 0.500 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1315 . 1 1 4 ARG HB3 H -3.467 1.286 -0.421 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1316 . 1 1 4 ARG HD2 H -2.904 2.772 -2.302 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1317 . 1 1 4 ARG HD3 H -4.160 3.768 -3.037 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 6 . 1318 . 1 1 4 ARG HE H -3.854 5.009 -0.718 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 6 . 1319 . 1 1 4 ARG HG2 H -5.220 1.916 -1.965 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1320 . 1 1 4 ARG HG3 H -5.564 3.363 -1.014 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1321 . 1 1 4 ARG HH11 H -1.421 3.755 -2.894 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 6 . 1322 . 1 1 4 ARG HH12 H -0.264 4.986 -2.511 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 6 . 1323 . 1 1 4 ARG HH21 H -2.345 6.638 -0.213 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 6 . 1324 . 1 1 4 ARG HH22 H -0.791 6.634 -0.986 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 6 . 1325 . 1 1 4 ARG N N -6.193 2.249 1.306 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 6 . 1326 . 1 1 4 ARG NE N -3.241 4.596 -1.365 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 6 . 1327 . 1 1 4 ARG NH1 N -1.171 4.582 -2.380 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 6 . 1328 . 1 1 4 ARG NH2 N -1.696 6.220 -0.856 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 6 . 1329 . 1 1 4 ARG O O -3.393 0.772 2.223 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 6 . 1330 . 1 1 5 ARG C C -4.197 -2.505 3.160 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 6 . 1331 . 1 1 5 ARG CA C -4.799 -1.181 3.612 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 6 . 1332 . 1 1 5 ARG CB C -5.955 -1.444 4.572 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 6 . 1333 . 1 1 5 ARG CD C -7.981 -0.450 5.659 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 6 . 1334 . 1 1 5 ARG CG C -6.593 -0.178 5.113 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 6 . 1335 . 1 1 5 ARG CZ C -10.238 -0.770 4.701 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 6 . 1336 . 1 1 5 ARG H H -6.191 -0.586 2.141 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 6 . 1337 . 1 1 5 ARG HA H -4.042 -0.600 4.117 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 6 . 1338 . 1 1 5 ARG HB2 H -6.712 -2.012 4.056 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1339 . 1 1 5 ARG HB3 H -5.591 -2.022 5.406 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1340 . 1 1 5 ARG HD2 H -7.915 -1.229 6.404 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1341 . 1 1 5 ARG HD3 H -8.357 0.453 6.114 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 6 . 1342 . 1 1 5 ARG HE H -8.520 -1.252 3.785 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 6 . 1343 . 1 1 5 ARG HG2 H -5.977 0.215 5.907 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1344 . 1 1 5 ARG HG3 H -6.665 0.547 4.315 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1345 . 1 1 5 ARG HH11 H -10.220 0.026 6.566 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 6 . 1346 . 1 1 5 ARG HH12 H -11.793 -0.202 5.870 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 6 . 1347 . 1 1 5 ARG HH21 H -10.608 -1.538 2.857 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 6 . 1348 . 1 1 5 ARG HH22 H -12.012 -1.069 3.766 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 6 . 1349 . 1 1 5 ARG N N -5.284 -0.412 2.479 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 6 . 1350 . 1 1 5 ARG NE N -8.911 -0.875 4.608 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 6 . 1351 . 1 1 5 ARG NH1 N -10.793 -0.273 5.799 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 6 . 1352 . 1 1 5 ARG NH2 N -11.013 -1.158 3.695 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 6 . 1353 . 1 1 5 ARG O O -3.534 -3.191 3.935 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 6 . 1354 . 1 1 6 GLN C C -3.285 -3.973 0.036 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 6 . 1355 . 1 1 6 GLN CA C -3.990 -4.147 1.378 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 6 . 1356 . 1 1 6 GLN CB C -5.190 -5.086 1.219 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 6 . 1357 . 1 1 6 GLN CD C -7.212 -6.142 2.302 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 6 . 1358 . 1 1 6 GLN CG C -5.939 -5.349 2.517 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 6 . 1359 . 1 1 6 GLN H H -4.905 -2.240 1.311 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 6 . 1360 . 1 1 6 GLN HA H -3.296 -4.574 2.082 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 6 . 1361 . 1 1 6 GLN HB2 H -5.881 -4.653 0.511 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1362 . 1 1 6 GLN HB3 H -4.840 -6.031 0.833 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1363 . 1 1 6 GLN HE21 H -8.247 -4.462 2.065 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 6 . 1364 . 1 1 6 GLN HE22 H -9.151 -5.931 1.933 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 6 . 1365 . 1 1 6 GLN HG2 H -5.296 -5.905 3.182 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1366 . 1 1 6 GLN HG3 H -6.193 -4.403 2.969 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1367 . 1 1 6 GLN N N -4.431 -2.860 1.903 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 6 . 1368 . 1 1 6 GLN NE2 N -8.314 -5.442 2.079 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 6 . 1369 . 1 1 6 GLN O O -3.502 -4.742 -0.903 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 6 . 1370 . 1 1 6 GLN OE1 O -7.207 -7.373 2.337 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 6 . 1371 . 1 1 7 . C C -0.284 -3.202 -1.204 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 6 . 1372 . 1 1 7 . CA C -1.712 -2.677 -1.281 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 6 . 1373 . 1 1 7 . CB C -1.752 -1.176 -1.607 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 6 . 1374 . 1 1 7 . CG C -1.266 -0.264 -0.495 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 6 . 1375 . 1 1 7 . H H -2.270 -2.410 0.746 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 6 . 1376 . 1 1 7 . HA H -2.214 -3.202 -2.071 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 6 . 1377 . 1 1 7 . HB2 H -2.772 -0.904 -1.839 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1378 . 1 1 7 . HB3 H -1.142 -0.992 -2.475 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1379 . 1 1 7 . HD1 H 0.679 -1.058 -0.308 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 6 . 1380 . 1 1 7 . HG2 H -1.677 -0.611 0.440 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1381 . 1 1 7 . HG3 H -1.629 0.727 -0.693 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1382 . 1 1 7 . N N -2.434 -2.963 -0.048 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 6 . 1383 . 1 1 7 . ND N 0.190 -0.212 -0.381 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 6 . 1384 . 1 1 7 . O O 0.069 -3.889 -0.245 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 6 . 1385 . 1 1 8 SER C C 2.655 -3.142 -0.992 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 6 . 1386 . 1 1 8 SER CA C 1.901 -3.354 -2.303 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 6 . 1387 . 1 1 8 SER CB C 2.621 -2.605 -3.430 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 6 . 1388 . 1 1 8 SER H H 0.165 -2.339 -2.950 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 6 . 1389 . 1 1 8 SER HA H 1.889 -4.406 -2.536 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 6 . 1390 . 1 1 8 SER HB2 H 2.217 -2.922 -4.381 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1391 . 1 1 8 SER HB3 H 2.464 -1.544 -3.310 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1392 . 1 1 8 SER HG H 4.233 -3.457 -4.147 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 6 . 1393 . 1 1 8 SER N N 0.517 -2.894 -2.221 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 6 . 1394 . 1 1 8 SER O O 2.544 -2.101 -0.351 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 6 . 1395 . 1 1 8 SER OG O 4.013 -2.868 -3.414 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 6 . 1396 . 1 1 9 MET C C 5.405 -3.061 0.287 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 6 . 1397 . 1 1 9 MET CA C 4.281 -4.052 0.566 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 6 . 1398 . 1 1 9 MET CB C 4.855 -5.430 0.908 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 6 . 1399 . 1 1 9 MET CE C 6.113 -5.281 4.880 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 6 . 1400 . 1 1 9 MET CG C 5.742 -5.450 2.144 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 6 . 1401 . 1 1 9 MET H H 3.424 -4.979 -1.127 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 6 . 1402 . 1 1 9 MET HA H 3.686 -3.694 1.393 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 6 . 1403 . 1 1 9 MET HB2 H 4.038 -6.117 1.070 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1404 . 1 1 9 MET HB3 H 5.440 -5.778 0.068 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1405 . 1 1 9 MET HE1 H 5.731 -5.012 5.854 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 6 . 1406 . 1 1 9 MET HE2 H 7.002 -4.705 4.669 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 6 . 1407 . 1 1 9 MET HE3 H 6.355 -6.333 4.866 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 6 . 1408 . 1 1 9 MET HG2 H 6.114 -6.453 2.289 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1409 . 1 1 9 MET HG3 H 6.574 -4.779 1.982 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1410 . 1 1 9 MET N N 3.426 -4.148 -0.604 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 6 . 1411 . 1 1 9 MET O O 5.845 -2.323 1.172 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 6 . 1412 . 1 1 9 MET SD S 4.870 -4.936 3.637 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 6 . 1413 . 1 1 10 THR C C 6.470 -0.707 -1.518 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 6 . 1414 . 1 1 10 THR CA C 6.929 -2.153 -1.367 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 6 . 1415 . 1 1 10 THR CB C 7.589 -2.630 -2.678 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 6 . 1416 . 1 1 10 THR CG2 C 8.287 -3.967 -2.474 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 6 . 1417 . 1 1 10 THR H H 5.394 -3.581 -1.647 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 6 . 1418 . 1 1 10 THR HA H 7.672 -2.193 -0.586 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 6 . 1419 . 1 1 10 THR HB H 8.326 -1.900 -2.977 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 6 . 1420 . 1 1 10 THR HG1 H 5.751 -2.461 -3.388 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 6 . 1421 . 1 1 10 THR HG21 H 8.740 -4.283 -3.402 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 6 . 1422 . 1 1 10 THR HG22 H 7.566 -4.705 -2.156 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 6 . 1423 . 1 1 10 THR HG23 H 9.052 -3.862 -1.720 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 6 . 1424 . 1 1 10 THR N N 5.834 -3.019 -0.970 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 6 . 1425 . 1 1 10 THR O O 7.283 0.183 -1.764 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 6 . 1426 . 1 1 10 THR OG1 O 6.611 -2.755 -3.717 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 6 . 1427 . 1 1 11 GLU C C 5.079 1.650 -0.164 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 6 . 1428 . 1 1 11 GLU CA C 4.646 0.895 -1.415 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 6 . 1429 . 1 1 11 GLU CB C 3.114 0.911 -1.543 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 6 . 1430 . 1 1 11 GLU CD C 0.875 0.921 -0.349 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 6 . 1431 . 1 1 11 GLU CG C 2.377 0.793 -0.216 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 6 . 1432 . 1 1 11 GLU H H 4.549 -1.211 -1.190 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 6 . 1433 . 1 1 11 GLU HA H 5.081 1.375 -2.274 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 6 . 1434 . 1 1 11 GLU HB2 H 2.818 1.832 -2.014 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1435 . 1 1 11 GLU HB3 H 2.811 0.086 -2.170 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1436 . 1 1 11 GLU HG2 H 2.597 -0.171 0.215 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 6 . 1437 . 1 1 11 GLU HG3 H 2.727 1.563 0.445 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 6 . 1438 . 1 1 11 GLU N N 5.165 -0.465 -1.354 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 6 . 1439 . 1 1 11 GLU O O 5.185 2.878 -0.162 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 6 . 1440 . 1 1 11 GLU OE1 O 0.334 2.027 -0.364 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 6 . 1441 . 1 1 12 PHE C C 7.320 1.378 2.207 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 6 . 1442 . 1 1 12 PHE CA C 5.804 1.464 2.146 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 6 . 1443 . 1 1 12 PHE CB C 5.199 0.728 3.347 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 6 . 1444 . 1 1 12 PHE CD1 C 2.974 1.856 3.595 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 6 . 1445 . 1 1 12 PHE CD2 C 3.018 -0.482 3.133 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 6 . 1446 . 1 1 12 PHE CE1 C 1.593 1.831 3.612 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 6 . 1447 . 1 1 12 PHE CE2 C 1.639 -0.513 3.147 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 6 . 1448 . 1 1 12 PHE CG C 3.699 0.702 3.355 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 6 . 1449 . 1 1 12 PHE CZ C 0.924 0.645 3.385 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 6 . 1450 . 1 1 12 PHE H H 5.205 -0.076 0.827 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 6 . 1451 . 1 1 12 PHE HA H 5.508 2.501 2.179 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 6 . 1452 . 1 1 12 PHE HB2 H 5.546 -0.294 3.348 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1453 . 1 1 12 PHE HB3 H 5.527 1.211 4.257 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1454 . 1 1 12 PHE HD1 H 3.499 2.783 3.768 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 6 . 1455 . 1 1 12 PHE HD2 H 3.576 -1.387 2.945 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1456 . 1 1 12 PHE HE1 H 1.038 2.737 3.802 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 6 . 1457 . 1 1 12 PHE HE2 H 1.121 -1.444 2.971 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 6 . 1458 . 1 1 12 PHE HZ H -0.155 0.622 3.398 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 6 . 1459 . 1 1 12 PHE N N 5.328 0.895 0.896 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 6 . 1460 . 1 1 12 PHE O O 8.019 2.387 2.137 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 6 . 1461 . 1 1 13 TYR C C 9.919 -0.093 1.085 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 6 . 1462 . 1 1 13 TYR CA C 9.241 -0.087 2.449 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 6 . 1463 . 1 1 13 TYR CB C 9.485 -1.412 3.175 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 6 . 1464 . 1 1 13 TYR CD1 C 9.628 -1.018 5.665 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 6 . 1465 . 1 1 13 TYR CD2 C 7.600 -1.909 4.783 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 6 . 1466 . 1 1 13 TYR CE1 C 9.088 -1.041 6.937 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 6 . 1467 . 1 1 13 TYR CE2 C 7.054 -1.937 6.051 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 6 . 1468 . 1 1 13 TYR CG C 8.895 -1.451 4.567 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 6 . 1469 . 1 1 13 TYR CZ C 7.800 -1.501 7.124 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 6 . 1470 . 1 1 13 TYR H H 7.204 -0.610 2.299 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 6 . 1471 . 1 1 13 TYR HA H 9.658 0.714 3.039 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 6 . 1472 . 1 1 13 TYR HB2 H 9.044 -2.215 2.603 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1473 . 1 1 13 TYR HB3 H 10.550 -1.580 3.258 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1474 . 1 1 13 TYR HD1 H 10.634 -0.658 5.515 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 6 . 1475 . 1 1 13 TYR HD2 H 7.017 -2.251 3.941 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1476 . 1 1 13 TYR HE1 H 9.674 -0.700 7.777 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 6 . 1477 . 1 1 13 TYR HE2 H 6.048 -2.298 6.196 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 6 . 1478 . 1 1 13 TYR HH H 6.812 -2.366 8.534 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 6 . 1479 . 1 1 13 TYR N N 7.816 0.156 2.319 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 6 . 1480 . 1 1 13 TYR O O 10.024 -1.133 0.434 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 6 . 1481 . 1 1 13 TYR OH O 7.254 -1.523 8.390 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 6 . 1482 . 1 1 14 HIS C C 12.557 0.923 -0.376 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 6 . 1483 . 1 1 14 HIS CA C 11.081 1.202 -0.607 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 6 . 1484 . 1 1 14 HIS CB C 10.896 2.592 -1.222 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 6 . 1485 . 1 1 14 HIS CD2 C 8.366 3.164 -1.156 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 6 . 1486 . 1 1 14 HIS CE1 C 7.949 3.015 -3.300 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 6 . 1487 . 1 1 14 HIS CG C 9.525 2.833 -1.773 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 6 . 1488 . 1 1 14 HIS H H 10.190 1.880 1.190 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 6 . 1489 . 1 1 14 HIS HA H 10.692 0.460 -1.288 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 6 . 1490 . 1 1 14 HIS HB2 H 11.083 3.338 -0.467 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 6 . 1491 . 1 1 14 HIS HB3 H 11.605 2.719 -2.028 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 6 . 1492 . 1 1 14 HIS HD1 H 9.867 2.530 -3.831 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 6 . 1493 . 1 1 14 HIS HD2 H 8.223 3.311 -0.095 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 6 . 1494 . 1 1 14 HIS HE1 H 7.436 3.021 -4.250 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 6 . 1495 . 1 1 14 HIS HE2 H 6.512 3.666 -1.999 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 6 . 1496 . 1 1 14 HIS N N 10.353 1.078 0.648 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 6 . 1497 . 1 1 14 HIS ND1 N 9.228 2.746 -3.115 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 6 . 1498 . 1 1 14 HIS NE2 N 7.403 3.271 -2.127 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 6 . 1499 . 1 1 14 HIS O O 13.242 1.781 0.220 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 6 . 1500 . 1 1 14 HIS OXT O 13.029 -0.160 -0.773 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 7 . 1501 . 1 1 1 GLY C C -10.630 2.667 3.412 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 7 . 1502 . 1 1 1 GLY CA C -11.137 1.243 3.486 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 7 . 1503 . 1 1 1 GLY H1 H -10.304 0.616 1.681 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 7 . 1504 . 1 1 1 GLY H2 H -10.682 -0.647 2.735 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 7 . 1505 . 1 1 1 GLY H3 H -9.323 0.316 3.025 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 7 . 1506 . 1 1 1 GLY HA2 H -12.152 1.214 3.122 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 7 . 1507 . 1 1 1 GLY HA3 H -11.125 0.918 4.515 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 7 . 1508 . 1 1 1 GLY N N -10.305 0.317 2.677 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 7 . 1509 . 1 1 1 GLY O O -10.812 3.342 2.397 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 7 . 1510 . 1 1 2 ARG C C -8.324 4.570 3.451 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 7 . 1511 . 1 1 2 ARG CA C -9.402 4.458 4.515 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 7 . 1512 . 1 1 2 ARG CB C -8.804 4.756 5.893 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 7 . 1513 . 1 1 2 ARG CD C -10.797 5.968 6.802 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 7 . 1514 . 1 1 2 ARG CG C -9.833 4.817 7.009 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 7 . 1515 . 1 1 2 ARG CZ C -12.625 7.069 8.020 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 7 . 1516 . 1 1 2 ARG H H -9.912 2.549 5.276 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 7 . 1517 . 1 1 2 ARG HA H -10.182 5.174 4.301 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 7 . 1518 . 1 1 2 ARG HB2 H -8.089 3.984 6.136 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1519 . 1 1 2 ARG HB3 H -8.292 5.706 5.851 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1520 . 1 1 2 ARG HD2 H -10.237 6.892 6.790 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1521 . 1 1 2 ARG HD3 H -11.294 5.839 5.854 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 7 . 1522 . 1 1 2 ARG HE H -11.865 5.276 8.474 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 7 . 1523 . 1 1 2 ARG HG2 H -10.390 3.895 7.022 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1524 . 1 1 2 ARG HG3 H -9.323 4.948 7.952 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1525 . 1 1 2 ARG HH11 H -11.874 8.131 6.459 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 7 . 1526 . 1 1 2 ARG HH12 H -13.169 8.895 7.326 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 7 . 1527 . 1 1 2 ARG HH21 H -13.575 6.270 9.622 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 7 . 1528 . 1 1 2 ARG HH22 H -14.144 7.830 9.123 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 7 . 1529 . 1 1 2 ARG N N -9.991 3.124 4.485 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 7 . 1530 . 1 1 2 ARG NE N -11.802 6.041 7.856 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 7 . 1531 . 1 1 2 ARG NH1 N -12.553 8.114 7.202 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 7 . 1532 . 1 1 2 ARG NH2 N -13.519 7.056 8.998 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 7 . 1533 . 1 1 2 ARG O O -8.275 5.539 2.696 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 7 . 1534 . 1 1 3 LYS C C -6.980 2.870 1.114 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 7 . 1535 . 1 1 3 LYS CA C -6.426 3.484 2.400 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 7 . 1536 . 1 1 3 LYS CB C -5.263 2.644 2.945 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 7 . 1537 . 1 1 3 LYS CD C -3.452 3.700 1.555 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 7 . 1538 . 1 1 3 LYS CE C -2.358 3.448 0.536 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 7 . 1539 . 1 1 3 LYS CG C -4.138 2.405 1.951 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 7 . 1540 . 1 1 3 LYS H H -7.543 2.845 4.069 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 7 . 1541 . 1 1 3 LYS HA H -6.080 4.485 2.196 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 7 . 1542 . 1 1 3 LYS HB2 H -4.848 3.148 3.805 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1543 . 1 1 3 LYS HB3 H -5.646 1.685 3.258 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1544 . 1 1 3 LYS HD2 H -4.185 4.367 1.128 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1545 . 1 1 3 LYS HD3 H -3.018 4.151 2.435 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 7 . 1546 . 1 1 3 LYS HE2 H -1.590 2.843 0.995 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 7 . 1547 . 1 1 3 LYS HE3 H -2.781 2.915 -0.301 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 7 . 1548 . 1 1 3 LYS HG2 H -3.409 1.747 2.399 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1549 . 1 1 3 LYS HG3 H -4.548 1.941 1.065 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1550 . 1 1 3 LYS HZ1 H -1.102 4.511 -0.743 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 7 . 1551 . 1 1 3 LYS HZ2 H -1.208 5.167 0.810 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 7 . 1552 . 1 1 3 LYS HZ3 H -2.484 5.366 -0.280 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 7 . 1553 . 1 1 3 LYS N N -7.471 3.562 3.403 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 7 . 1554 . 1 1 3 LYS NZ N -1.747 4.711 0.047 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 7 . 1555 . 1 1 3 LYS O O -7.783 1.937 1.161 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 7 . 1556 . 1 1 4 ARG C C -5.754 2.105 -1.895 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 7 . 1557 . 1 1 4 ARG CA C -6.943 2.852 -1.315 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 7 . 1558 . 1 1 4 ARG CB C -7.415 3.944 -2.275 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 7 . 1559 . 1 1 4 ARG CD C -9.135 5.710 -2.776 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 7 . 1560 . 1 1 4 ARG CG C -8.619 4.710 -1.757 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 7 . 1561 . 1 1 4 ARG CZ C -11.199 7.063 -2.902 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 7 . 1562 . 1 1 4 ARG H H -6.014 4.221 0.003 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 7 . 1563 . 1 1 4 ARG HA H -7.748 2.150 -1.152 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 7 . 1564 . 1 1 4 ARG HB2 H -6.608 4.645 -2.433 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1565 . 1 1 4 ARG HB3 H -7.679 3.492 -3.218 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1566 . 1 1 4 ARG HD2 H -8.315 6.330 -3.104 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1567 . 1 1 4 ARG HD3 H -9.541 5.172 -3.619 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 7 . 1568 . 1 1 4 ARG HE H -10.104 6.778 -1.249 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 7 . 1569 . 1 1 4 ARG HG2 H -9.407 4.008 -1.529 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1570 . 1 1 4 ARG HG3 H -8.336 5.238 -0.859 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1571 . 1 1 4 ARG HH11 H -10.685 6.176 -4.652 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 7 . 1572 . 1 1 4 ARG HH12 H -12.116 7.153 -4.711 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 7 . 1573 . 1 1 4 ARG HH21 H -11.982 8.066 -1.326 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 7 . 1574 . 1 1 4 ARG HH22 H -12.855 8.227 -2.816 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 7 . 1575 . 1 1 4 ARG N N -6.576 3.417 -0.024 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 7 . 1576 . 1 1 4 ARG NE N -10.178 6.562 -2.209 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 7 . 1577 . 1 1 4 ARG NH1 N -11.343 6.774 -4.191 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 7 . 1578 . 1 1 4 ARG NH2 N -12.083 7.848 -2.301 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 7 . 1579 . 1 1 4 ARG O O -4.618 2.580 -1.801 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 7 . 1580 . 1 1 5 ARG C C -4.162 -0.414 -1.706 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 7 . 1581 . 1 1 5 ARG CA C -4.969 0.031 -2.923 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 7 . 1582 . 1 1 5 ARG CB C -4.060 0.684 -3.980 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 7 . 1583 . 1 1 5 ARG CD C -2.019 0.465 -5.446 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 7 . 1584 . 1 1 5 ARG CG C -3.008 -0.260 -4.545 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 7 . 1585 . 1 1 5 ARG CZ C -1.975 1.546 -7.664 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 7 . 1586 . 1 1 5 ARG H H -6.958 0.688 -2.630 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 7 . 1587 . 1 1 5 ARG HA H -5.448 -0.837 -3.355 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 7 . 1588 . 1 1 5 ARG HB2 H -4.673 1.037 -4.796 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1589 . 1 1 5 ARG HB3 H -3.553 1.526 -3.532 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1590 . 1 1 5 ARG HD2 H -1.598 1.293 -4.898 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1591 . 1 1 5 ARG HD3 H -1.232 -0.223 -5.719 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 7 . 1592 . 1 1 5 ARG HE H -3.623 0.873 -6.744 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 7 . 1593 . 1 1 5 ARG HG2 H -2.468 -0.711 -3.727 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1594 . 1 1 5 ARG HG3 H -3.504 -1.032 -5.117 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1595 . 1 1 5 ARG HH11 H -0.164 1.379 -6.776 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 7 . 1596 . 1 1 5 ARG HH12 H -0.153 2.118 -8.345 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 7 . 1597 . 1 1 5 ARG HH21 H -3.616 1.855 -8.811 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 7 . 1598 . 1 1 5 ARG HH22 H -2.120 2.404 -9.496 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 7 . 1599 . 1 1 5 ARG N N -6.021 0.944 -2.487 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 7 . 1600 . 1 1 5 ARG NE N -2.646 0.973 -6.664 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 7 . 1601 . 1 1 5 ARG NH1 N -0.660 1.695 -7.587 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 7 . 1602 . 1 1 5 ARG NH2 N -2.623 1.967 -8.743 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 7 . 1603 . 1 1 5 ARG O O -2.992 -0.055 -1.542 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 7 . 1604 . 1 1 6 GLN C C -3.319 -2.859 0.134 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 7 . 1605 . 1 1 6 GLN CA C -4.191 -1.640 0.397 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 7 . 1606 . 1 1 6 GLN CB C -5.259 -1.961 1.445 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 7 . 1607 . 1 1 6 GLN CD C -7.169 -1.071 2.859 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 7 . 1608 . 1 1 6 GLN CG C -6.189 -0.795 1.732 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 7 . 1609 . 1 1 6 GLN H H -5.726 -1.468 -1.048 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 7 . 1610 . 1 1 6 GLN HA H -3.566 -0.840 0.767 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 7 . 1611 . 1 1 6 GLN HB2 H -5.853 -2.792 1.096 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1612 . 1 1 6 GLN HB3 H -4.771 -2.241 2.367 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1613 . 1 1 6 GLN HE21 H -7.190 -3.012 2.426 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 7 . 1614 . 1 1 6 GLN HE22 H -8.183 -2.526 3.756 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 7 . 1615 . 1 1 6 GLN HG2 H -5.592 0.062 2.003 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1616 . 1 1 6 GLN HG3 H -6.748 -0.571 0.836 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1617 . 1 1 6 GLN N N -4.809 -1.183 -0.840 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 7 . 1618 . 1 1 6 GLN NE2 N -7.552 -2.328 3.030 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 7 . 1619 . 1 1 6 GLN O O -3.544 -3.941 0.677 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 7 . 1620 . 1 1 6 GLN OE1 O -7.587 -0.155 3.572 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 7 . 1621 . 1 1 7 . C C -0.262 -3.807 -0.049 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 7 . 1622 . 1 1 7 . CA C -1.394 -3.730 -1.065 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 7 . 1623 . 1 1 7 . CB C -0.863 -3.531 -2.493 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 7 . 1624 . 1 1 7 . CG C -0.356 -2.133 -2.801 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 7 . 1625 . 1 1 7 . H H -2.209 -1.780 -1.112 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 7 . 1626 . 1 1 7 . HA H -1.937 -4.653 -1.034 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 7 . 1627 . 1 1 7 . HB2 H -1.657 -3.757 -3.189 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1628 . 1 1 7 . HB3 H -0.053 -4.218 -2.660 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1629 . 1 1 7 . HD1 H 1.162 -2.133 -1.336 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 7 . 1630 . 1 1 7 . HG2 H -1.046 -1.414 -2.388 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1631 . 1 1 7 . HG3 H -0.323 -2.016 -3.868 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1632 . 1 1 7 . N N -2.323 -2.670 -0.715 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 7 . 1633 . 1 1 7 . ND N 0.975 -1.867 -2.263 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 7 . 1634 . 1 1 7 . O O -0.332 -3.169 1.002 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 7 . 1635 . 1 1 8 SER C C 2.422 -3.357 0.961 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 7 . 1636 . 1 1 8 SER CA C 1.935 -4.724 0.496 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 7 . 1637 . 1 1 8 SER CB C 3.052 -5.411 -0.285 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 7 . 1638 . 1 1 8 SER H H 0.697 -5.165 -1.157 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 7 . 1639 . 1 1 8 SER HA H 1.685 -5.324 1.356 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 7 . 1640 . 1 1 8 SER HB2 H 2.808 -6.455 -0.419 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1641 . 1 1 8 SER HB3 H 3.155 -4.939 -1.250 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1642 . 1 1 8 SER HG H 4.440 -6.137 0.887 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 7 . 1643 . 1 1 8 SER N N 0.751 -4.613 -0.347 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 7 . 1644 . 1 1 8 SER O O 2.526 -2.424 0.172 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 7 . 1645 . 1 1 8 SER OG O 4.284 -5.315 0.405 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 7 . 1646 . 1 1 9 MET C C 4.690 -1.819 2.325 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 7 . 1647 . 1 1 9 MET CA C 3.253 -2.005 2.783 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 7 . 1648 . 1 1 9 MET CB C 3.182 -1.987 4.312 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 7 . 1649 . 1 1 9 MET CE C 2.572 -0.237 6.921 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 7 . 1650 . 1 1 9 MET CG C 1.764 -1.916 4.859 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 7 . 1651 . 1 1 9 MET H H 2.589 -4.013 2.842 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 7 . 1652 . 1 1 9 MET HA H 2.658 -1.194 2.392 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 7 . 1653 . 1 1 9 MET HB2 H 3.645 -2.884 4.692 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1654 . 1 1 9 MET HB3 H 3.727 -1.130 4.675 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1655 . 1 1 9 MET HE1 H 2.051 0.552 6.400 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 7 . 1656 . 1 1 9 MET HE2 H 3.583 -0.311 6.546 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 7 . 1657 . 1 1 9 MET HE3 H 2.596 -0.015 7.978 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 7 . 1658 . 1 1 9 MET HG2 H 1.273 -1.049 4.442 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1659 . 1 1 9 MET HG3 H 1.233 -2.807 4.560 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1660 . 1 1 9 MET N N 2.721 -3.245 2.245 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 7 . 1661 . 1 1 9 MET O O 5.171 -0.695 2.197 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 7 . 1662 . 1 1 9 MET SD S 1.719 -1.792 6.660 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 7 . 1663 . 1 1 10 THR C C 6.830 -2.491 0.116 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 7 . 1664 . 1 1 10 THR CA C 6.744 -2.862 1.591 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 7 . 1665 . 1 1 10 THR CB C 7.496 -4.181 1.853 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 7 . 1666 . 1 1 10 THR CG2 C 8.016 -4.233 3.282 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 7 . 1667 . 1 1 10 THR H H 4.925 -3.803 2.115 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 7 . 1668 . 1 1 10 THR HA H 7.231 -2.085 2.161 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 7 . 1669 . 1 1 10 THR HB H 8.338 -4.236 1.179 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 7 . 1670 . 1 1 10 THR HG1 H 6.337 -5.279 0.688 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 7 . 1671 . 1 1 10 THR HG21 H 8.684 -3.401 3.454 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 7 . 1672 . 1 1 10 THR HG22 H 8.547 -5.159 3.438 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 7 . 1673 . 1 1 10 THR HG23 H 7.185 -4.174 3.969 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 7 . 1674 . 1 1 10 THR N N 5.367 -2.925 2.039 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 7 . 1675 . 1 1 10 THR O O 7.920 -2.325 -0.425 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 7 . 1676 . 1 1 10 THR OG1 O 6.632 -5.295 1.612 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 7 . 1677 . 1 1 11 GLU C C 5.963 -0.364 -1.917 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 7 . 1678 . 1 1 11 GLU CA C 5.650 -1.860 -1.908 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 7 . 1679 . 1 1 11 GLU CB C 4.284 -2.114 -2.565 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 7 . 1680 . 1 1 11 GLU CD C 1.926 -1.255 -2.949 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 7 . 1681 . 1 1 11 GLU CG C 3.242 -1.054 -2.237 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 7 . 1682 . 1 1 11 GLU H H 4.836 -2.586 -0.092 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 7 . 1683 . 1 1 11 GLU HA H 6.416 -2.379 -2.459 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 7 . 1684 . 1 1 11 GLU HB2 H 4.413 -2.145 -3.633 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1685 . 1 1 11 GLU HB3 H 3.910 -3.070 -2.229 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1686 . 1 1 11 GLU HG2 H 3.055 -1.074 -1.176 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 7 . 1687 . 1 1 11 GLU HG3 H 3.632 -0.090 -2.507 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 7 . 1688 . 1 1 11 GLU N N 5.676 -2.349 -0.537 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 7 . 1689 . 1 1 11 GLU O O 6.466 0.179 -2.904 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 7 . 1690 . 1 1 11 GLU OE1 O 1.748 -0.811 -4.083 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 7 . 1691 . 1 1 12 PHE C C 7.247 1.993 -0.067 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 7 . 1692 . 1 1 12 PHE CA C 5.869 1.719 -0.649 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 7 . 1693 . 1 1 12 PHE CB C 4.802 2.333 0.264 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 7 . 1694 . 1 1 12 PHE CD1 C 2.913 2.801 -1.325 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 7 . 1695 . 1 1 12 PHE CD2 C 2.538 1.271 0.466 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 7 . 1696 . 1 1 12 PHE CE1 C 1.612 2.619 -1.756 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 7 . 1697 . 1 1 12 PHE CE2 C 1.236 1.085 0.039 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 7 . 1698 . 1 1 12 PHE CG C 3.391 2.129 -0.210 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 7 . 1699 . 1 1 12 PHE CZ C 0.773 1.760 -1.073 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 7 . 1700 . 1 1 12 PHE H H 5.282 -0.222 -0.052 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 7 . 1701 . 1 1 12 PHE HA H 5.804 2.172 -1.626 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 7 . 1702 . 1 1 12 PHE HB2 H 4.887 1.893 1.246 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1703 . 1 1 12 PHE HB3 H 4.976 3.397 0.341 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1704 . 1 1 12 PHE HD1 H 3.568 3.472 -1.860 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 7 . 1705 . 1 1 12 PHE HD2 H 2.900 0.742 1.337 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1706 . 1 1 12 PHE HE1 H 1.252 3.148 -2.625 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 7 . 1707 . 1 1 12 PHE HE2 H 0.582 0.414 0.575 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 7 . 1708 . 1 1 12 PHE HZ H -0.244 1.616 -1.408 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 7 . 1709 . 1 1 12 PHE N N 5.657 0.285 -0.800 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 7 . 1710 . 1 1 12 PHE O O 7.982 2.859 -0.548 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 7 . 1711 . 1 1 13 TYR C C 9.997 0.789 0.900 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 7 . 1712 . 1 1 13 TYR CA C 8.853 1.432 1.671 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 7 . 1713 . 1 1 13 TYR CB C 8.775 0.855 3.086 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 7 . 1714 . 1 1 13 TYR CD1 C 8.281 2.633 4.806 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 7 . 1715 . 1 1 13 TYR CD2 C 6.474 1.295 4.023 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 7 . 1716 . 1 1 13 TYR CE1 C 7.415 3.329 5.627 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 7 . 1717 . 1 1 13 TYR CE2 C 5.602 1.984 4.840 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 7 . 1718 . 1 1 13 TYR CG C 7.825 1.607 3.991 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 7 . 1719 . 1 1 13 TYR CZ C 6.077 2.999 5.639 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 7 . 1720 . 1 1 13 TYR H H 6.976 0.547 1.280 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 7 . 1721 . 1 1 13 TYR HA H 9.037 2.494 1.738 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 7 . 1722 . 1 1 13 TYR HB2 H 8.442 -0.171 3.033 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1723 . 1 1 13 TYR HB3 H 9.756 0.888 3.534 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1724 . 1 1 13 TYR HD1 H 9.330 2.887 4.796 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 7 . 1725 . 1 1 13 TYR HD2 H 6.103 0.498 3.398 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1726 . 1 1 13 TYR HE1 H 7.787 4.124 6.253 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 7 . 1727 . 1 1 13 TYR HE2 H 4.555 1.725 4.851 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 7 . 1728 . 1 1 13 TYR HH H 5.463 4.624 6.465 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 7 . 1729 . 1 1 13 TYR N N 7.589 1.246 0.975 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 7 . 1730 . 1 1 13 TYR O O 10.037 -0.429 0.728 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 7 . 1731 . 1 1 13 TYR OH O 5.208 3.693 6.449 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 7 . 1732 . 1 1 14 HIS C C 13.213 2.135 -0.149 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 7 . 1733 . 1 1 14 HIS CA C 12.071 1.147 -0.309 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 7 . 1734 . 1 1 14 HIS CB C 11.710 0.976 -1.792 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 7 . 1735 . 1 1 14 HIS CD2 C 13.709 1.063 -3.452 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 7 . 1736 . 1 1 14 HIS CE1 C 14.140 -1.083 -3.545 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 7 . 1737 . 1 1 14 HIS CG C 12.825 0.435 -2.639 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 7 . 1738 . 1 1 14 HIS H H 10.827 2.577 0.616 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 7 . 1739 . 1 1 14 HIS HA H 12.372 0.191 0.095 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 7 . 1740 . 1 1 14 HIS HB2 H 10.876 0.298 -1.873 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 7 . 1741 . 1 1 14 HIS HB3 H 11.425 1.937 -2.195 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 7 . 1742 . 1 1 14 HIS HD1 H 12.662 -1.630 -2.240 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 7 . 1743 . 1 1 14 HIS HD2 H 13.769 2.126 -3.634 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 7 . 1744 . 1 1 14 HIS HE1 H 14.587 -2.030 -3.802 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 7 . 1745 . 1 1 14 HIS HE2 H 15.126 0.233 -4.763 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 7 . 1746 . 1 1 14 HIS N N 10.921 1.615 0.443 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 7 . 1747 . 1 1 14 HIS ND1 N 13.124 -0.908 -2.722 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 7 . 1748 . 1 1 14 HIS NE2 N 14.514 0.096 -4.005 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 7 . 1749 . 1 1 14 HIS O O 13.186 3.185 -0.818 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 7 . 1750 . 1 1 14 HIS OXT O 14.121 1.870 0.662 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 8 . 1751 . 1 1 1 GLY C C -14.928 3.513 3.614 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 8 . 1752 . 1 1 1 GLY CA C -16.026 4.420 4.128 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 8 . 1753 . 1 1 1 GLY H1 H -15.761 4.001 6.154 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 8 . 1754 . 1 1 1 GLY H2 H -16.915 3.025 5.395 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 8 . 1755 . 1 1 1 GLY H3 H -17.284 4.632 5.773 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 8 . 1756 . 1 1 1 GLY HA2 H -16.843 4.414 3.424 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 8 . 1757 . 1 1 1 GLY HA3 H -15.640 5.427 4.209 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 8 . 1758 . 1 1 1 GLY N N -16.532 3.989 5.455 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 8 . 1759 . 1 1 1 GLY O O -15.157 2.704 2.715 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 8 . 1760 . 1 1 2 ARG C C -12.300 2.823 2.346 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 8 . 1761 . 1 1 2 ARG CA C -12.581 2.826 3.845 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 8 . 1762 . 1 1 2 ARG CB C -12.787 1.393 4.338 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 8 . 1763 . 1 1 2 ARG CD C -12.969 -0.182 6.268 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 8 . 1764 . 1 1 2 ARG CG C -12.872 1.272 5.848 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 8 . 1765 . 1 1 2 ARG CZ C -12.305 -1.227 8.402 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 8 . 1766 . 1 1 2 ARG H H -13.615 4.377 4.849 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 8 . 1767 . 1 1 2 ARG HA H -11.722 3.242 4.352 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 8 . 1768 . 1 1 2 ARG HB2 H -13.702 1.005 3.915 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1769 . 1 1 2 ARG HB3 H -11.959 0.788 3.999 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1770 . 1 1 2 ARG HD2 H -13.863 -0.606 5.837 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1771 . 1 1 2 ARG HD3 H -12.107 -0.707 5.891 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 8 . 1772 . 1 1 2 ARG HE H -13.659 0.239 8.208 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 8 . 1773 . 1 1 2 ARG HG2 H -11.987 1.706 6.286 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1774 . 1 1 2 ARG HG3 H -13.748 1.799 6.196 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1775 . 1 1 2 ARG HH11 H -11.264 -1.890 6.790 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 8 . 1776 . 1 1 2 ARG HH12 H -10.865 -2.650 8.298 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 8 . 1777 . 1 1 2 ARG HH21 H -13.133 -0.774 10.195 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 8 . 1778 . 1 1 2 ARG HH22 H -11.928 -2.021 10.229 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 8 . 1779 . 1 1 2 ARG N N -13.732 3.664 4.182 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 8 . 1780 . 1 1 2 ARG NE N -13.027 -0.337 7.719 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 8 . 1781 . 1 1 2 ARG NH1 N -11.408 -1.983 7.779 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 8 . 1782 . 1 1 2 ARG NH2 N -12.468 -1.348 9.712 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 8 . 1783 . 1 1 2 ARG O O -12.135 1.767 1.735 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 8 . 1784 . 1 1 3 LYS C C -10.435 4.234 0.132 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 8 . 1785 . 1 1 3 LYS CA C -11.940 4.127 0.335 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 8 . 1786 . 1 1 3 LYS CB C -12.651 5.334 -0.281 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 8 . 1787 . 1 1 3 LYS CD C -14.605 4.018 -1.169 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 8 . 1788 . 1 1 3 LYS CE C -16.119 3.895 -1.222 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 8 . 1789 . 1 1 3 LYS CG C -14.166 5.200 -0.315 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 8 . 1790 . 1 1 3 LYS H H -12.416 4.816 2.281 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 8 . 1791 . 1 1 3 LYS HA H -12.286 3.229 -0.153 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 8 . 1792 . 1 1 3 LYS HB2 H -12.404 6.214 0.294 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1793 . 1 1 3 LYS HB3 H -12.300 5.467 -1.293 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1794 . 1 1 3 LYS HD2 H -14.230 4.151 -2.172 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1795 . 1 1 3 LYS HD3 H -14.195 3.111 -0.748 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 8 . 1796 . 1 1 3 LYS HE2 H -16.524 4.784 -1.678 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 8 . 1797 . 1 1 3 LYS HE3 H -16.377 3.033 -1.822 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 8 . 1798 . 1 1 3 LYS HG2 H -14.527 5.056 0.692 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1799 . 1 1 3 LYS HG3 H -14.589 6.106 -0.725 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1800 . 1 1 3 LYS HZ1 H -17.733 3.554 0.057 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 8 . 1801 . 1 1 3 LYS HZ2 H -16.564 4.597 0.689 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 8 . 1802 . 1 1 3 LYS HZ3 H -16.265 2.937 0.629 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 8 . 1803 . 1 1 3 LYS N N -12.249 4.005 1.752 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 8 . 1804 . 1 1 3 LYS NZ N -16.710 3.734 0.132 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 8 . 1805 . 1 1 3 LYS O O -9.923 5.257 -0.325 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 8 . 1806 . 1 1 4 ARG C C -7.848 1.684 0.051 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 8 . 1807 . 1 1 4 ARG CA C -8.289 3.112 0.351 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 8 . 1808 . 1 1 4 ARG CB C -7.599 3.629 1.622 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 8 . 1809 . 1 1 4 ARG CD C -7.291 3.443 4.115 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 8 . 1810 . 1 1 4 ARG CG C -7.988 2.877 2.887 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 8 . 1811 . 1 1 4 ARG CZ C -5.012 3.596 5.058 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 8 . 1812 . 1 1 4 ARG H H -10.209 2.394 0.860 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 8 . 1813 . 1 1 4 ARG HA H -8.014 3.744 -0.481 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 8 . 1814 . 1 1 4 ARG HB2 H -6.531 3.541 1.495 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1815 . 1 1 4 ARG HB3 H -7.852 4.671 1.755 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1816 . 1 1 4 ARG HD2 H -7.546 4.489 4.209 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1817 . 1 1 4 ARG HD3 H -7.643 2.911 4.986 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 8 . 1818 . 1 1 4 ARG HE H -5.447 3.016 3.188 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 8 . 1819 . 1 1 4 ARG HG2 H -9.056 2.953 3.024 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1820 . 1 1 4 ARG HG3 H -7.710 1.840 2.774 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1821 . 1 1 4 ARG HH11 H -6.499 4.099 6.346 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 8 . 1822 . 1 1 4 ARG HH12 H -4.890 4.210 6.989 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 8 . 1823 . 1 1 4 ARG HH21 H -3.315 3.169 4.028 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 8 . 1824 . 1 1 4 ARG HH22 H -3.077 3.683 5.668 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 8 . 1825 . 1 1 4 ARG N N -9.734 3.171 0.493 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 8 . 1826 . 1 1 4 ARG NE N -5.833 3.319 4.042 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 8 . 1827 . 1 1 4 ARG NH1 N -5.506 4.001 6.224 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 8 . 1828 . 1 1 4 ARG NH2 N -3.697 3.471 4.906 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 8 . 1829 . 1 1 4 ARG O O -8.267 0.740 0.725 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 8 . 1830 . 1 1 5 ARG C C -5.051 0.095 -0.912 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 8 . 1831 . 1 1 5 ARG CA C -6.505 0.219 -1.337 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 8 . 1832 . 1 1 5 ARG CB C -6.634 -0.022 -2.844 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 8 . 1833 . 1 1 5 ARG CD C -6.333 -1.631 -4.766 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 8 . 1834 . 1 1 5 ARG CG C -6.177 -1.409 -3.270 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 8 . 1835 . 1 1 5 ARG CZ C -5.956 -3.455 -6.395 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 8 . 1836 . 1 1 5 ARG H H -6.749 2.311 -1.494 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 8 . 1837 . 1 1 5 ARG HA H -7.084 -0.523 -0.811 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 8 . 1838 . 1 1 5 ARG HB2 H -7.669 0.096 -3.129 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1839 . 1 1 5 ARG HB3 H -6.038 0.709 -3.368 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1840 . 1 1 5 ARG HD2 H -7.366 -1.474 -5.039 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1841 . 1 1 5 ARG HD3 H -5.708 -0.923 -5.293 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 8 . 1842 . 1 1 5 ARG HE H -5.652 -3.588 -4.422 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 8 . 1843 . 1 1 5 ARG HG2 H -5.136 -1.527 -3.008 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1844 . 1 1 5 ARG HG3 H -6.766 -2.145 -2.744 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1845 . 1 1 5 ARG HH11 H -6.611 -1.728 -7.234 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 8 . 1846 . 1 1 5 ARG HH12 H -6.341 -3.036 -8.342 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 8 . 1847 . 1 1 5 ARG HH21 H -5.301 -5.302 -5.879 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 8 . 1848 . 1 1 5 ARG HH22 H -5.614 -5.072 -7.569 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 8 . 1849 . 1 1 5 ARG N N -7.022 1.526 -0.972 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 8 . 1850 . 1 1 5 ARG NE N -5.940 -2.987 -5.147 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 8 . 1851 . 1 1 5 ARG NH1 N -6.333 -2.677 -7.403 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 8 . 1852 . 1 1 5 ARG NH2 N -5.591 -4.707 -6.633 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 8 . 1853 . 1 1 5 ARG O O -4.170 0.731 -1.490 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 8 . 1854 . 1 1 6 GLN C C -2.700 -1.904 -0.243 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 8 . 1855 . 1 1 6 GLN CA C -3.467 -0.911 0.621 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 8 . 1856 . 1 1 6 GLN CB C -3.518 -1.402 2.070 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 8 . 1857 . 1 1 6 GLN CD C -4.247 -3.195 3.683 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 8 . 1858 . 1 1 6 GLN CG C -4.176 -2.762 2.234 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 8 . 1859 . 1 1 6 GLN H H -5.555 -1.206 0.514 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 8 . 1860 . 1 1 6 GLN HA H -2.961 0.041 0.589 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 8 . 1861 . 1 1 6 GLN HB2 H -2.510 -1.466 2.452 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1862 . 1 1 6 GLN HB3 H -4.071 -0.686 2.661 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1863 . 1 1 6 GLN HE21 H -6.036 -2.349 3.874 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 8 . 1864 . 1 1 6 GLN HE22 H -5.405 -3.115 5.294 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 8 . 1865 . 1 1 6 GLN HG2 H -5.178 -2.715 1.836 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1866 . 1 1 6 GLN HG3 H -3.602 -3.492 1.683 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1867 . 1 1 6 GLN N N -4.811 -0.717 0.105 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 8 . 1868 . 1 1 6 GLN NE2 N -5.339 -2.855 4.348 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 8 . 1869 . 1 1 6 GLN O O -3.294 -2.663 -1.013 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 8 . 1870 . 1 1 6 GLN OE1 O -3.330 -3.828 4.199 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 8 . 1871 . 1 1 7 . C C 0.649 -3.232 -0.006 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 8 . 1872 . 1 1 7 . CA C -0.527 -2.788 -0.869 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 8 . 1873 . 1 1 7 . CB C -0.061 -2.117 -2.164 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 8 . 1874 . 1 1 7 . CG C 0.542 -0.740 -1.967 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 8 . 1875 . 1 1 7 . H H -0.971 -1.242 0.497 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 8 . 1876 . 1 1 7 . HA H -1.107 -3.652 -1.123 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 8 . 1877 . 1 1 7 . HB2 H -0.909 -2.020 -2.826 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1878 . 1 1 7 . HB3 H 0.679 -2.742 -2.637 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1879 . 1 1 7 . HD1 H 2.171 -1.335 -0.772 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 8 . 1880 . 1 1 7 . HG2 H -0.027 -0.220 -1.209 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1881 . 1 1 7 . HG3 H 0.469 -0.202 -2.894 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1882 . 1 1 7 . N N -1.384 -1.885 -0.120 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 8 . 1883 . 1 1 7 . ND N 1.941 -0.791 -1.556 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 8 . 1884 . 1 1 7 . O O 0.665 -2.957 1.197 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 8 . 1885 . 1 1 8 SER C C 3.442 -3.300 0.921 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 8 . 1886 . 1 1 8 SER CA C 2.786 -4.412 0.110 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 8 . 1887 . 1 1 8 SER CB C 3.801 -4.976 -0.884 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 8 . 1888 . 1 1 8 SER H H 1.521 -4.136 -1.560 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 8 . 1889 . 1 1 8 SER HA H 2.474 -5.198 0.777 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 8 . 1890 . 1 1 8 SER HB2 H 3.421 -5.897 -1.300 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1891 . 1 1 8 SER HB3 H 3.959 -4.261 -1.678 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1892 . 1 1 8 SER HG H 5.533 -5.891 -0.768 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 8 . 1893 . 1 1 8 SER N N 1.607 -3.931 -0.606 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 8 . 1894 . 1 1 8 SER O O 3.567 -2.170 0.459 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 8 . 1895 . 1 1 8 SER OG O 5.041 -5.238 -0.252 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 8 . 1896 . 1 1 9 MET C C 5.982 -2.469 2.417 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 8 . 1897 . 1 1 9 MET CA C 4.578 -2.672 2.965 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 8 . 1898 . 1 1 9 MET CB C 4.639 -3.152 4.414 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 8 . 1899 . 1 1 9 MET CE C 3.950 -5.485 6.517 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 8 . 1900 . 1 1 9 MET CG C 3.282 -3.198 5.092 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 8 . 1901 . 1 1 9 MET H H 3.683 -4.528 2.480 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 8 . 1902 . 1 1 9 MET HA H 4.049 -1.730 2.925 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 8 . 1903 . 1 1 9 MET HB2 H 5.062 -4.144 4.435 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1904 . 1 1 9 MET HB3 H 5.276 -2.484 4.975 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1905 . 1 1 9 MET HE1 H 3.277 -5.999 5.847 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 8 . 1906 . 1 1 9 MET HE2 H 3.986 -6.008 7.462 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 8 . 1907 . 1 1 9 MET HE3 H 4.939 -5.455 6.085 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 8 . 1908 . 1 1 9 MET HG2 H 2.868 -2.201 5.106 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1909 . 1 1 9 MET HG3 H 2.632 -3.845 4.521 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1910 . 1 1 9 MET N N 3.859 -3.624 2.135 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 8 . 1911 . 1 1 9 MET O O 6.562 -1.390 2.535 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 8 . 1912 . 1 1 9 MET SD S 3.366 -3.811 6.786 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 8 . 1913 . 1 1 10 THR C C 7.818 -2.749 -0.156 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 8 . 1914 . 1 1 10 THR CA C 7.839 -3.438 1.204 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 8 . 1915 . 1 1 10 THR CB C 8.490 -4.830 1.093 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 8 . 1916 . 1 1 10 THR CG2 C 9.317 -5.138 2.331 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 8 . 1917 . 1 1 10 THR H H 5.995 -4.337 1.694 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 8 . 1918 . 1 1 10 THR HA H 8.449 -2.843 1.868 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 8 . 1919 . 1 1 10 THR HB H 9.144 -4.835 0.234 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 8 . 1920 . 1 1 10 THR HG1 H 7.837 -6.545 0.365 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 8 . 1921 . 1 1 10 THR HG21 H 9.756 -6.120 2.236 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 8 . 1922 . 1 1 10 THR HG22 H 8.681 -5.112 3.204 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 8 . 1923 . 1 1 10 THR HG23 H 10.099 -4.402 2.434 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 8 . 1924 . 1 1 10 THR N N 6.515 -3.508 1.787 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 8 . 1925 . 1 1 10 THR O O 8.853 -2.611 -0.800 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 8 . 1926 . 1 1 10 THR OG1 O 7.484 -5.836 0.920 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 8 . 1927 . 1 1 11 GLU C C 7.106 -0.104 -1.509 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 8 . 1928 . 1 1 11 GLU CA C 6.553 -1.495 -1.802 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 8 . 1929 . 1 1 11 GLU CB C 5.107 -1.385 -2.302 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 8 . 1930 . 1 1 11 GLU CD C 2.909 -0.133 -2.171 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 8 . 1931 . 1 1 11 GLU CG C 4.295 -0.305 -1.601 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 8 . 1932 . 1 1 11 GLU H H 5.819 -2.527 -0.099 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 8 . 1933 . 1 1 11 GLU HA H 7.161 -1.962 -2.558 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 8 . 1934 . 1 1 11 GLU HB2 H 5.122 -1.165 -3.356 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1935 . 1 1 11 GLU HB3 H 4.612 -2.332 -2.149 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1936 . 1 1 11 GLU HG2 H 4.203 -0.569 -0.559 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 8 . 1937 . 1 1 11 GLU HG3 H 4.817 0.630 -1.683 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 8 . 1938 . 1 1 11 GLU N N 6.638 -2.303 -0.591 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 8 . 1939 . 1 1 11 GLU O O 7.501 0.634 -2.412 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 8 . 1940 . 1 1 11 GLU OE1 O 2.706 0.620 -3.125 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 8 . 1941 . 1 1 12 PHE C C 9.097 1.473 0.483 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 8 . 1942 . 1 1 12 PHE CA C 7.601 1.535 0.218 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 8 . 1943 . 1 1 12 PHE CB C 6.858 1.970 1.481 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 8 . 1944 . 1 1 12 PHE CD1 C 4.774 2.987 0.523 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 8 . 1945 . 1 1 12 PHE CD2 C 4.557 1.074 1.931 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 8 . 1946 . 1 1 12 PHE CE1 C 3.404 3.022 0.358 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 8 . 1947 . 1 1 12 PHE CE2 C 3.185 1.107 1.770 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 8 . 1948 . 1 1 12 PHE CG C 5.366 2.012 1.309 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 8 . 1949 . 1 1 12 PHE CZ C 2.608 2.081 0.983 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 8 . 1950 . 1 1 12 PHE H H 6.798 -0.406 0.437 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 8 . 1951 . 1 1 12 PHE HA H 7.414 2.249 -0.569 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 8 . 1952 . 1 1 12 PHE HB2 H 7.081 1.278 2.279 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1953 . 1 1 12 PHE HB3 H 7.189 2.957 1.764 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1954 . 1 1 12 PHE HD1 H 5.396 3.722 0.035 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 8 . 1955 . 1 1 12 PHE HD2 H 5.008 0.312 2.548 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1956 . 1 1 12 PHE HE1 H 2.954 3.788 -0.258 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 8 . 1957 . 1 1 12 PHE HE2 H 2.566 0.371 2.261 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 8 . 1958 . 1 1 12 PHE HZ H 1.537 2.109 0.854 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 8 . 1959 . 1 1 12 PHE N N 7.119 0.239 -0.228 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 8 . 1960 . 1 1 12 PHE O O 9.829 2.427 0.215 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 8 . 1961 . 1 1 13 TYR C C 11.669 -0.241 -0.032 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 8 . 1962 . 1 1 13 TYR CA C 10.963 0.136 1.264 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 8 . 1963 . 1 1 13 TYR CB C 11.173 -0.958 2.315 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 8 . 1964 . 1 1 13 TYR CD1 C 9.493 -1.502 4.116 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 8 . 1965 . 1 1 13 TYR CD2 C 10.860 0.429 4.406 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 8 . 1966 . 1 1 13 TYR CE1 C 8.870 -1.248 5.320 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 8 . 1967 . 1 1 13 TYR CE2 C 10.240 0.690 5.614 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 8 . 1968 . 1 1 13 TYR CG C 10.498 -0.672 3.638 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 8 . 1969 . 1 1 13 TYR CZ C 9.245 -0.153 6.067 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 8 . 1970 . 1 1 13 TYR H H 8.913 -0.367 1.225 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 8 . 1971 . 1 1 13 TYR HA H 11.375 1.064 1.631 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 8 . 1972 . 1 1 13 TYR HB2 H 10.779 -1.888 1.939 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1973 . 1 1 13 TYR HB3 H 12.231 -1.070 2.500 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1974 . 1 1 13 TYR HD1 H 9.202 -2.361 3.535 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 8 . 1975 . 1 1 13 TYR HD2 H 11.639 1.087 4.048 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1976 . 1 1 13 TYR HE1 H 8.091 -1.907 5.673 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 8 . 1977 . 1 1 13 TYR HE2 H 10.536 1.550 6.197 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 8 . 1978 . 1 1 13 TYR HH H 8.363 1.025 7.312 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 8 . 1979 . 1 1 13 TYR N N 9.546 0.344 1.010 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 8 . 1980 . 1 1 13 TYR O O 11.040 -0.744 -0.961 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 8 . 1981 . 1 1 13 TYR OH O 8.624 0.096 7.271 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 8 . 1982 . 1 1 14 HIS C C 14.181 -1.739 -1.291 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 8 . 1983 . 1 1 14 HIS CA C 13.735 -0.284 -1.298 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 8 . 1984 . 1 1 14 HIS CB C 14.947 0.645 -1.424 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 8 . 1985 . 1 1 14 HIS CD2 C 14.640 3.123 -0.715 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 8 . 1986 . 1 1 14 HIS CE1 C 13.850 3.903 -2.602 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 8 . 1987 . 1 1 14 HIS CG C 14.581 2.090 -1.589 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 8 . 1988 . 1 1 14 HIS H H 13.421 0.396 0.683 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 8 . 1989 . 1 1 14 HIS HA H 13.089 -0.130 -2.149 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 8 . 1990 . 1 1 14 HIS HB2 H 15.554 0.556 -0.537 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 8 . 1991 . 1 1 14 HIS HB3 H 15.533 0.350 -2.284 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 8 . 1992 . 1 1 14 HIS HD1 H 13.913 2.109 -3.590 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 8 . 1993 . 1 1 14 HIS HD2 H 14.989 3.078 0.307 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 8 . 1994 . 1 1 14 HIS HE1 H 13.457 4.572 -3.352 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 8 . 1995 . 1 1 14 HIS HE2 H 13.980 5.100 -0.944 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 8 . 1996 . 1 1 14 HIS N N 12.965 0.015 -0.099 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 8 . 1997 . 1 1 14 HIS ND1 N 14.079 2.614 -2.760 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 8 . 1998 . 1 1 14 HIS NE2 N 14.180 4.236 -1.369 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 8 . 1999 . 1 1 14 HIS O O 15.113 -2.073 -0.532 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 8 . 2000 . 1 1 14 HIS OXT O 13.595 -2.543 -2.040 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 9 . 2001 . 1 1 1 GLY C C -11.000 7.651 1.259 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 9 . 2002 . 1 1 1 GLY CA C -11.138 9.018 0.627 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 9 . 2003 . 1 1 1 GLY H1 H -9.562 8.825 -0.719 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 9 . 2004 . 1 1 1 GLY H2 H -9.118 9.505 0.761 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 9 . 2005 . 1 1 1 GLY H3 H -9.971 10.425 -0.370 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 9 . 2006 . 1 1 1 GLY HA2 H -11.448 9.724 1.383 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 9 . 2007 . 1 1 1 GLY HA3 H -11.889 8.976 -0.146 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 9 . 2008 . 1 1 1 GLY N N -9.859 9.476 0.033 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 9 . 2009 . 1 1 1 GLY O O -10.114 7.434 2.083 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 9 . 2010 . 1 1 2 ARG C C -10.850 4.524 0.583 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 9 . 2011 . 1 1 2 ARG CA C -11.813 5.372 1.398 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 9 . 2012 . 1 1 2 ARG CB C -13.200 4.731 1.388 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 9 . 2013 . 1 1 2 ARG CD C -14.616 2.733 1.955 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 9 . 2014 . 1 1 2 ARG CG C -13.227 3.343 2.010 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 9 . 2015 . 1 1 2 ARG CZ C -16.909 3.335 2.620 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 9 . 2016 . 1 1 2 ARG H H -12.552 6.957 0.210 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 9 . 2017 . 1 1 2 ARG HA H -11.457 5.425 2.415 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 9 . 2018 . 1 1 2 ARG HB2 H -13.882 5.363 1.936 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2019 . 1 1 2 ARG HB3 H -13.540 4.650 0.367 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2020 . 1 1 2 ARG HD2 H -14.925 2.668 0.922 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2021 . 1 1 2 ARG HD3 H -14.577 1.742 2.380 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 9 . 2022 . 1 1 2 ARG HE H -15.251 4.250 3.265 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 9 . 2023 . 1 1 2 ARG HG2 H -12.543 2.704 1.470 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2024 . 1 1 2 ARG HG3 H -12.915 3.416 3.041 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2025 . 1 1 2 ARG HH11 H -16.783 1.737 1.373 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 9 . 2026 . 1 1 2 ARG HH12 H -18.393 2.207 1.822 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 9 . 2027 . 1 1 2 ARG HH21 H -17.366 4.866 3.869 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 9 . 2028 . 1 1 2 ARG HH22 H -18.724 3.982 3.246 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 9 . 2029 . 1 1 2 ARG N N -11.865 6.726 0.872 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 9 . 2030 . 1 1 2 ARG NE N -15.596 3.527 2.692 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 9 . 2031 . 1 1 2 ARG NH1 N -17.402 2.348 1.880 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 9 . 2032 . 1 1 2 ARG NH2 N -17.732 4.123 3.299 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 9 . 2033 . 1 1 2 ARG O O -11.147 4.143 -0.549 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 9 . 2034 . 1 1 3 LYS C C -7.798 2.747 1.506 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 9 . 2035 . 1 1 3 LYS CA C -8.694 3.436 0.487 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 9 . 2036 . 1 1 3 LYS CB C -7.854 4.304 -0.460 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 9 . 2037 . 1 1 3 LYS CD C -7.307 2.446 -2.091 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 9 . 2038 . 1 1 3 LYS CE C -8.157 3.020 -3.216 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 9 . 2039 . 1 1 3 LYS CG C -6.751 3.542 -1.188 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 9 . 2040 . 1 1 3 LYS H H -9.514 4.573 2.062 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 9 . 2041 . 1 1 3 LYS HA H -9.207 2.682 -0.090 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 9 . 2042 . 1 1 3 LYS HB2 H -8.506 4.743 -1.200 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2043 . 1 1 3 LYS HB3 H -7.394 5.095 0.113 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2044 . 1 1 3 LYS HD2 H -6.484 1.897 -2.521 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2045 . 1 1 3 LYS HD3 H -7.914 1.779 -1.496 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 9 . 2046 . 1 1 3 LYS HE2 H -9.029 3.489 -2.787 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 9 . 2047 . 1 1 3 LYS HE3 H -7.576 3.757 -3.749 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 9 . 2048 . 1 1 3 LYS HG2 H -6.189 4.237 -1.793 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2049 . 1 1 3 LYS HG3 H -6.097 3.093 -0.455 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2050 . 1 1 3 LYS HZ1 H -9.166 2.394 -4.931 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 9 . 2051 . 1 1 3 LYS HZ2 H -9.177 1.259 -3.682 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 9 . 2052 . 1 1 3 LYS HZ3 H -7.773 1.498 -4.592 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 9 . 2053 . 1 1 3 LYS N N -9.696 4.239 1.157 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 9 . 2054 . 1 1 3 LYS NZ N -8.598 1.970 -4.169 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 9 . 2055 . 1 1 3 LYS O O -6.869 3.353 2.046 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 9 . 2056 . 1 1 4 ARG C C -5.972 0.348 1.889 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 9 . 2057 . 1 1 4 ARG CA C -7.250 0.676 2.642 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 9 . 2058 . 1 1 4 ARG CB C -7.963 -0.615 3.051 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 9 . 2059 . 1 1 4 ARG CD C -9.908 -1.704 4.209 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 9 . 2060 . 1 1 4 ARG CG C -9.241 -0.389 3.839 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 9 . 2061 . 1 1 4 ARG CZ C -9.412 -3.738 5.524 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 9 . 2062 . 1 1 4 ARG H H -8.915 1.095 1.407 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 9 . 2063 . 1 1 4 ARG HA H -7.007 1.251 3.524 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 9 . 2064 . 1 1 4 ARG HB2 H -8.209 -1.173 2.161 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2065 . 1 1 4 ARG HB3 H -7.291 -1.204 3.659 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2066 . 1 1 4 ARG HD2 H -10.846 -1.492 4.701 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2067 . 1 1 4 ARG HD3 H -10.098 -2.261 3.303 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 9 . 2068 . 1 1 4 ARG HE H -8.228 -2.128 5.409 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 9 . 2069 . 1 1 4 ARG HG2 H -9.005 0.151 4.744 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2070 . 1 1 4 ARG HG3 H -9.925 0.195 3.239 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2071 . 1 1 4 ARG HH11 H -11.142 -3.815 4.476 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 9 . 2072 . 1 1 4 ARG HH12 H -10.787 -5.223 5.420 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 9 . 2073 . 1 1 4 ARG HH21 H -7.757 -3.970 6.665 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 9 . 2074 . 1 1 4 ARG HH22 H -8.858 -5.309 6.682 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 9 . 2075 . 1 1 4 ARG N N -8.101 1.489 1.788 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 9 . 2076 . 1 1 4 ARG NE N -9.078 -2.518 5.101 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 9 . 2077 . 1 1 4 ARG NH1 N -10.538 -4.304 5.108 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 9 . 2078 . 1 1 4 ARG NH2 N -8.612 -4.393 6.354 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 9 . 2079 . 1 1 4 ARG O O -6.003 0.120 0.678 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 9 . 2080 . 1 1 5 ARG C C -3.300 -1.425 1.886 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 9 . 2081 . 1 1 5 ARG CA C -3.571 0.072 1.955 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 9 . 2082 . 1 1 5 ARG CB C -2.451 0.802 2.697 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 9 . 2083 . 1 1 5 ARG CD C -1.458 3.015 3.382 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 9 . 2084 . 1 1 5 ARG CG C -2.617 2.315 2.692 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 9 . 2085 . 1 1 5 ARG CZ C -0.626 3.296 5.687 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 9 . 2086 . 1 1 5 ARG H H -4.890 0.482 3.559 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 9 . 2087 . 1 1 5 ARG HA H -3.626 0.455 0.947 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 9 . 2088 . 1 1 5 ARG HB2 H -2.432 0.465 3.722 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2089 . 1 1 5 ARG HB3 H -1.508 0.563 2.229 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2090 . 1 1 5 ARG HD2 H -0.545 2.763 2.866 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2091 . 1 1 5 ARG HD3 H -1.617 4.083 3.331 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 9 . 2092 . 1 1 5 ARG HE H -1.807 1.805 5.070 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 9 . 2093 . 1 1 5 ARG HG2 H -2.668 2.656 1.669 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2094 . 1 1 5 ARG HG3 H -3.534 2.568 3.203 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2095 . 1 1 5 ARG HH11 H -0.003 4.727 4.396 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 9 . 2096 . 1 1 5 ARG HH12 H 0.553 4.907 6.028 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 9 . 2097 . 1 1 5 ARG HH21 H -1.065 2.028 7.202 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 9 . 2098 . 1 1 5 ARG HH22 H -0.041 3.363 7.627 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 9 . 2099 . 1 1 5 ARG N N -4.854 0.329 2.590 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 9 . 2100 . 1 1 5 ARG NE N -1.333 2.621 4.784 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 9 . 2101 . 1 1 5 ARG NH1 N 0.029 4.396 5.341 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 9 . 2102 . 1 1 5 ARG NH2 N -0.573 2.863 6.938 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 9 . 2103 . 1 1 5 ARG O O -2.351 -1.935 2.487 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 9 . 2104 . 1 1 6 GLN C C -3.186 -3.850 -0.292 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 9 . 2105 . 1 1 6 GLN CA C -4.022 -3.561 0.947 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 9 . 2106 . 1 1 6 GLN CB C -5.408 -4.191 0.800 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 9 . 2107 . 1 1 6 GLN CD C -7.730 -4.474 1.771 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 9 . 2108 . 1 1 6 GLN CG C -6.345 -3.878 1.955 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 9 . 2109 . 1 1 6 GLN H H -4.875 -1.645 0.682 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 9 . 2110 . 1 1 6 GLN HA H -3.529 -3.974 1.812 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 9 . 2111 . 1 1 6 GLN HB2 H -5.859 -3.828 -0.109 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2112 . 1 1 6 GLN HB3 H -5.299 -5.262 0.734 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2113 . 1 1 6 GLN HE21 H -7.602 -4.289 -0.203 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 9 . 2114 . 1 1 6 GLN HE22 H -9.070 -4.974 0.400 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 9 . 2115 . 1 1 6 GLN HG2 H -5.919 -4.275 2.865 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2116 . 1 1 6 GLN HG3 H -6.441 -2.805 2.042 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2117 . 1 1 6 GLN N N -4.143 -2.121 1.135 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 9 . 2118 . 1 1 6 GLN NE2 N -8.177 -4.591 0.532 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 9 . 2119 . 1 1 6 GLN O O -3.503 -4.732 -1.093 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 9 . 2120 . 1 1 6 GLN OE1 O -8.395 -4.825 2.742 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 9 . 2121 . 1 1 7 . C C 0.089 -3.784 -1.239 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 9 . 2122 . 1 1 7 . CA C -1.258 -3.181 -1.608 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 9 . 2123 . 1 1 7 . CB C -1.100 -1.794 -2.240 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 9 . 2124 . 1 1 7 . CG C -0.726 -0.703 -1.253 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 9 . 2125 . 1 1 7 . H H -1.884 -2.468 0.279 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 9 . 2126 . 1 1 7 . HA H -1.738 -3.826 -2.316 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 9 . 2127 . 1 1 7 . HB2 H -2.034 -1.520 -2.707 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2128 . 1 1 7 . HB3 H -0.335 -1.840 -2.995 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2129 . 1 1 7 . HD1 H 1.161 -1.519 -0.778 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 9 . 2130 . 1 1 7 . HG2 H -1.273 -0.867 -0.337 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2131 . 1 1 7 . HG3 H -1.015 0.244 -1.672 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2132 . 1 1 7 . N N -2.116 -3.094 -0.438 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 9 . 2133 . 1 1 7 . ND N 0.703 -0.667 -0.948 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 9 . 2134 . 1 1 7 . O O 0.253 -4.287 -0.125 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 9 . 2135 . 1 1 8 SER C C 2.945 -3.718 -0.622 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 9 . 2136 . 1 1 8 SER CA C 2.386 -4.239 -1.941 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 9 . 2137 . 1 1 8 SER CB C 3.290 -3.789 -3.091 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 9 . 2138 . 1 1 8 SER H H 0.809 -3.398 -3.061 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 9 . 2139 . 1 1 8 SER HA H 2.358 -5.316 -1.912 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 9 . 2140 . 1 1 8 SER HB2 H 3.042 -4.349 -3.979 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2141 . 1 1 8 SER HB3 H 3.135 -2.737 -3.275 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2142 . 1 1 8 SER HG H 5.172 -3.981 -3.607 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 9 . 2143 . 1 1 8 SER N N 1.032 -3.752 -2.175 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 9 . 2144 . 1 1 8 SER O O 2.792 -2.546 -0.291 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 9 . 2145 . 1 1 8 SER OG O 4.659 -4.000 -2.789 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 9 . 2146 . 1 1 9 MET C C 5.518 -3.416 1.004 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 9 . 2147 . 1 1 9 MET CA C 4.255 -4.180 1.356 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 9 . 2148 . 1 1 9 MET CB C 4.589 -5.385 2.237 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 9 . 2149 . 1 1 9 MET CE C 1.267 -5.885 4.714 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 9 . 2150 . 1 1 9 MET CG C 3.375 -5.996 2.917 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 9 . 2151 . 1 1 9 MET H H 3.623 -5.536 -0.145 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 9 . 2152 . 1 1 9 MET HA H 3.586 -3.522 1.892 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 9 . 2153 . 1 1 9 MET HB2 H 5.056 -6.144 1.628 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2154 . 1 1 9 MET HB3 H 5.284 -5.072 3.003 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2155 . 1 1 9 MET HE1 H 0.629 -6.242 3.920 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 9 . 2156 . 1 1 9 MET HE2 H 0.679 -5.316 5.419 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 9 . 2157 . 1 1 9 MET HE3 H 1.721 -6.725 5.219 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 9 . 2158 . 1 1 9 MET HG2 H 2.674 -6.307 2.157 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2159 . 1 1 9 MET HG3 H 3.693 -6.856 3.486 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2160 . 1 1 9 MET N N 3.588 -4.593 0.133 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 9 . 2161 . 1 1 9 MET O O 6.014 -2.605 1.784 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 9 . 2162 . 1 1 9 MET SD S 2.549 -4.837 4.027 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 9 . 2163 . 1 1 10 THR C C 6.922 -1.554 -1.072 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 9 . 2164 . 1 1 10 THR CA C 7.203 -3.007 -0.691 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 9 . 2165 . 1 1 10 THR CB C 7.767 -3.774 -1.900 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 9 . 2166 . 1 1 10 THR CG2 C 9.198 -3.360 -2.190 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 9 . 2167 . 1 1 10 THR H H 5.543 -4.290 -0.791 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 9 . 2168 . 1 1 10 THR HA H 7.933 -3.025 0.098 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 9 . 2169 . 1 1 10 THR HB H 7.158 -3.558 -2.766 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 9 . 2170 . 1 1 10 THR HG1 H 8.422 -5.410 -1.006 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 9 . 2171 . 1 1 10 THR HG21 H 9.227 -2.305 -2.413 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 9 . 2172 . 1 1 10 THR HG22 H 9.569 -3.918 -3.037 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 9 . 2173 . 1 1 10 THR HG23 H 9.812 -3.563 -1.327 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 9 . 2174 . 1 1 10 THR N N 6.006 -3.652 -0.205 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 9 . 2175 . 1 1 10 THR O O 7.846 -0.759 -1.252 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 9 . 2176 . 1 1 10 THR OG1 O 7.727 -5.183 -1.632 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 9 . 2177 . 1 1 11 GLU C C 5.632 1.096 -0.303 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 9 . 2178 . 1 1 11 GLU CA C 5.265 0.178 -1.465 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 9 . 2179 . 1 1 11 GLU CB C 3.764 0.288 -1.773 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 9 . 2180 . 1 1 11 GLU CD C 1.402 0.452 -0.866 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 9 . 2181 . 1 1 11 GLU CG C 2.873 0.299 -0.539 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 9 . 2182 . 1 1 11 GLU H H 4.943 -1.865 -0.989 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 9 . 2183 . 1 1 11 GLU HA H 5.828 0.481 -2.331 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 9 . 2184 . 1 1 11 GLU HB2 H 3.591 1.198 -2.321 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2185 . 1 1 11 GLU HB3 H 3.476 -0.551 -2.389 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2186 . 1 1 11 GLU HG2 H 3.008 -0.631 -0.008 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 9 . 2187 . 1 1 11 GLU HG3 H 3.167 1.114 0.096 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 9 . 2188 . 1 1 11 GLU N N 5.642 -1.195 -1.147 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 9 . 2189 . 1 1 11 GLU O O 5.792 2.305 -0.470 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 9 . 2190 . 1 1 11 GLU OE1 O 0.895 1.567 -1.000 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 9 . 2191 . 1 1 12 PHE C C 7.667 1.289 2.200 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 9 . 2192 . 1 1 12 PHE CA C 6.153 1.238 2.067 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 9 . 2193 . 1 1 12 PHE CB C 5.563 0.584 3.321 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 9 . 2194 . 1 1 12 PHE CD1 C 3.252 1.526 3.566 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 9 . 2195 . 1 1 12 PHE CD2 C 3.482 -0.784 3.027 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 9 . 2196 . 1 1 12 PHE CE1 C 1.878 1.394 3.557 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 9 . 2197 . 1 1 12 PHE CE2 C 2.108 -0.924 3.016 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 9 . 2198 . 1 1 12 PHE CG C 4.068 0.441 3.301 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 9 . 2199 . 1 1 12 PHE CZ C 1.304 0.167 3.282 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 9 . 2200 . 1 1 12 PHE H H 5.638 -0.470 0.933 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 9 . 2201 . 1 1 12 PHE HA H 5.771 2.243 1.975 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 9 . 2202 . 1 1 12 PHE HB2 H 5.984 -0.404 3.432 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2203 . 1 1 12 PHE HB3 H 5.829 1.178 4.183 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2204 . 1 1 12 PHE HD1 H 3.698 2.486 3.780 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 9 . 2205 . 1 1 12 PHE HD2 H 4.111 -1.637 2.819 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2206 . 1 1 12 PHE HE1 H 1.251 2.248 3.767 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 9 . 2207 . 1 1 12 PHE HE2 H 1.663 -1.884 2.801 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 9 . 2208 . 1 1 12 PHE HZ H 0.229 0.060 3.275 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 9 . 2209 . 1 1 12 PHE N N 5.779 0.498 0.873 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 9 . 2210 . 1 1 12 PHE O O 8.226 2.269 2.688 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 9 . 2211 . 1 1 13 TYR C C 10.538 0.901 0.912 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 9 . 2212 . 1 1 13 TYR CA C 9.762 0.085 1.939 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 9 . 2213 . 1 1 13 TYR CB C 10.167 -1.386 1.853 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 9 . 2214 . 1 1 13 TYR CD1 C 9.020 -3.543 2.487 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 9 . 2215 . 1 1 13 TYR CD2 C 9.211 -1.845 4.148 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 9 . 2216 . 1 1 13 TYR CE1 C 8.366 -4.357 3.390 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 9 . 2217 . 1 1 13 TYR CE2 C 8.558 -2.654 5.055 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 9 . 2218 . 1 1 13 TYR CG C 9.455 -2.276 2.849 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 9 . 2219 . 1 1 13 TYR CZ C 8.137 -3.907 4.672 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 9 . 2220 . 1 1 13 TYR H H 7.830 -0.479 1.292 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 9 . 2221 . 1 1 13 TYR HA H 10.003 0.455 2.924 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 9 . 2222 . 1 1 13 TYR HB2 H 9.942 -1.754 0.863 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2223 . 1 1 13 TYR HB3 H 11.227 -1.471 2.029 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2224 . 1 1 13 TYR HD1 H 9.202 -3.893 1.482 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 9 . 2225 . 1 1 13 TYR HD2 H 9.541 -0.861 4.446 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2226 . 1 1 13 TYR HE1 H 8.037 -5.340 3.088 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 9 . 2227 . 1 1 13 TYR HE2 H 8.379 -2.302 6.059 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 9 . 2228 . 1 1 13 TYR HH H 6.749 -4.227 5.967 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 9 . 2229 . 1 1 13 TYR N N 8.324 0.227 1.756 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 9 . 2230 . 1 1 13 TYR O O 11.592 1.453 1.221 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 9 . 2231 . 1 1 13 TYR OH O 7.486 -4.716 5.575 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 9 . 2232 . 1 1 14 HIS C C 9.632 2.291 -2.316 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 9 . 2233 . 1 1 14 HIS CA C 10.669 1.732 -1.358 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 9 . 2234 . 1 1 14 HIS CB C 11.661 0.840 -2.114 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 9 . 2235 . 1 1 14 HIS CD2 C 12.233 2.020 -4.360 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 9 . 2236 . 1 1 14 HIS CE1 C 14.306 2.564 -3.916 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 9 . 2237 . 1 1 14 HIS CG C 12.508 1.581 -3.109 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 9 . 2238 . 1 1 14 HIS H H 9.155 0.541 -0.488 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 9 . 2239 . 1 1 14 HIS HA H 11.205 2.552 -0.905 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 9 . 2240 . 1 1 14 HIS HB2 H 12.322 0.368 -1.403 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 9 . 2241 . 1 1 14 HIS HB3 H 11.114 0.078 -2.648 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 9 . 2242 . 1 1 14 HIS HD1 H 14.315 1.756 -2.035 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 9 . 2243 . 1 1 14 HIS HD2 H 11.293 1.913 -4.883 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 9 . 2244 . 1 1 14 HIS HE1 H 15.308 2.957 -4.007 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 9 . 2245 . 1 1 14 HIS HE2 H 13.415 3.174 -5.653 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 9 . 2246 . 1 1 14 HIS N N 10.010 0.989 -0.297 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 9 . 2247 . 1 1 14 HIS ND1 N 13.816 1.938 -2.862 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 9 . 2248 . 1 1 14 HIS NE2 N 13.367 2.626 -4.838 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 9 . 2249 . 1 1 14 HIS O O 9.242 3.459 -2.140 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 9 . 2250 . 1 1 14 HIS OXT O 9.209 1.561 -3.232 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 10 . 2251 . 1 1 1 GLY C C -8.365 4.265 -0.821 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 10 . 2252 . 1 1 1 GLY CA C -8.770 4.220 -2.276 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 10 . 2253 . 1 1 1 GLY H1 H -7.100 3.179 -2.941 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 10 . 2254 . 1 1 1 GLY H2 H -8.428 3.075 -3.982 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 10 . 2255 . 1 1 1 GLY H3 H -8.408 2.187 -2.544 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 10 . 2256 . 1 1 1 GLY HA2 H -8.476 5.142 -2.750 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 10 . 2257 . 1 1 1 GLY HA3 H -9.844 4.117 -2.341 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 10 . 2258 . 1 1 1 GLY N N -8.133 3.087 -2.987 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 10 . 2259 . 1 1 1 GLY O O -7.598 3.418 -0.367 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 10 . 2260 . 1 1 2 ARG C C -9.156 4.220 2.123 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 10 . 2261 . 1 1 2 ARG CA C -8.570 5.388 1.332 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 10 . 2262 . 1 1 2 ARG CB C -9.108 6.723 1.868 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 10 . 2263 . 1 1 2 ARG CD C -11.102 8.219 2.218 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 10 . 2264 . 1 1 2 ARG CG C -10.621 6.844 1.793 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 10 . 2265 . 1 1 2 ARG CZ C -13.183 9.410 1.616 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 10 . 2266 . 1 1 2 ARG H H -9.493 5.888 -0.508 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 10 . 2267 . 1 1 2 ARG HA H -7.494 5.374 1.436 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 10 . 2268 . 1 1 2 ARG HB2 H -8.809 6.831 2.899 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2269 . 1 1 2 ARG HB3 H -8.676 7.528 1.291 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2270 . 1 1 2 ARG HD2 H -10.821 8.382 3.248 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2271 . 1 1 2 ARG HD3 H -10.631 8.960 1.595 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 10 . 2272 . 1 1 2 ARG HE H -13.089 7.568 2.382 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 10 . 2273 . 1 1 2 ARG HG2 H -10.934 6.668 0.778 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2274 . 1 1 2 ARG HG3 H -11.063 6.102 2.442 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2275 . 1 1 2 ARG HH11 H -11.494 10.485 1.279 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 10 . 2276 . 1 1 2 ARG HH12 H -12.976 11.280 0.860 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 10 . 2277 . 1 1 2 ARG HH21 H -15.031 8.601 1.827 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 10 . 2278 . 1 1 2 ARG HH22 H -14.996 10.207 1.169 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 10 . 2279 . 1 1 2 ARG N N -8.881 5.245 -0.086 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 10 . 2280 . 1 1 2 ARG NE N -12.552 8.338 2.094 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 10 . 2281 . 1 1 2 ARG NH1 N -12.496 10.477 1.220 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 10 . 2282 . 1 1 2 ARG NH2 N -14.509 9.407 1.532 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 10 . 2283 . 1 1 2 ARG O O -8.585 3.781 3.122 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 10 . 2284 . 1 1 3 LYS C C -10.112 1.312 2.049 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 10 . 2285 . 1 1 3 LYS CA C -10.943 2.570 2.277 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 10 . 2286 . 1 1 3 LYS CB C -12.346 2.381 1.692 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 10 . 2287 . 1 1 3 LYS CD C -14.556 3.451 1.128 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 10 . 2288 . 1 1 3 LYS CE C -15.363 2.195 1.429 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 10 . 2289 . 1 1 3 LYS CG C -13.292 3.540 1.971 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 10 . 2290 . 1 1 3 LYS H H -10.712 4.132 0.870 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 10 . 2291 . 1 1 3 LYS HA H -11.020 2.756 3.336 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 10 . 2292 . 1 1 3 LYS HB2 H -12.262 2.265 0.622 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2293 . 1 1 3 LYS HB3 H -12.778 1.484 2.110 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2294 . 1 1 3 LYS HD2 H -15.172 4.315 1.330 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2295 . 1 1 3 LYS HD3 H -14.277 3.445 0.084 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 10 . 2296 . 1 1 3 LYS HE2 H -16.174 2.127 0.722 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 10 . 2297 . 1 1 3 LYS HE3 H -14.721 1.335 1.320 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 10 . 2298 . 1 1 3 LYS HG2 H -13.566 3.526 3.015 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2299 . 1 1 3 LYS HG3 H -12.784 4.467 1.745 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2300 . 1 1 3 LYS HZ1 H -16.452 1.323 2.983 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 10 . 2301 . 1 1 3 LYS HZ2 H -16.575 3.008 2.921 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 10 . 2302 . 1 1 3 LYS HZ3 H -15.165 2.288 3.507 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 10 . 2303 . 1 1 3 LYS N N -10.295 3.717 1.658 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 10 . 2304 . 1 1 3 LYS NZ N -15.926 2.204 2.805 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 10 . 2305 . 1 1 3 LYS O O -10.198 0.689 0.988 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 10 . 2306 . 1 1 4 ARG C C -7.412 -0.020 1.833 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 10 . 2307 . 1 1 4 ARG CA C -8.415 -0.198 2.970 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 10 . 2308 . 1 1 4 ARG CB C -9.209 -1.500 2.801 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 10 . 2309 . 1 1 4 ARG CD C -10.821 -3.149 3.807 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 10 . 2310 . 1 1 4 ARG CG C -10.091 -1.830 3.994 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 10 . 2311 . 1 1 4 ARG CZ C -12.586 -4.408 4.990 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 10 . 2312 . 1 1 4 ARG H H -9.320 1.488 3.875 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 10 . 2313 . 1 1 4 ARG HA H -7.869 -0.245 3.899 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 10 . 2314 . 1 1 4 ARG HB2 H -9.840 -1.413 1.929 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2315 . 1 1 4 ARG HB3 H -8.516 -2.315 2.655 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2316 . 1 1 4 ARG HD2 H -11.484 -3.062 2.959 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2317 . 1 1 4 ARG HD3 H -10.094 -3.926 3.618 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 10 . 2318 . 1 1 4 ARG HE H -11.381 -3.045 5.831 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 10 . 2319 . 1 1 4 ARG HG2 H -9.475 -1.897 4.878 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2320 . 1 1 4 ARG HG3 H -10.817 -1.041 4.120 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2321 . 1 1 4 ARG HH11 H -12.401 -4.882 3.029 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 10 . 2322 . 1 1 4 ARG HH12 H -13.641 -5.739 3.884 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 10 . 2323 . 1 1 4 ARG HH21 H -13.003 -4.184 6.959 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 10 . 2324 . 1 1 4 ARG HH22 H -13.988 -5.336 6.119 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 10 . 2325 . 1 1 4 ARG N N -9.312 0.953 3.052 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 10 . 2326 . 1 1 4 ARG NE N -11.604 -3.507 4.989 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 10 . 2327 . 1 1 4 ARG NH1 N -12.900 -5.061 3.879 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 10 . 2328 . 1 1 4 ARG NH2 N -13.243 -4.664 6.111 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 10 . 2329 . 1 1 4 ARG O O -7.526 -0.640 0.771 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 10 . 2330 . 1 1 5 ARG C C -4.254 0.177 1.097 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 10 . 2331 . 1 1 5 ARG CA C -5.424 1.156 1.058 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 10 . 2332 . 1 1 5 ARG CB C -4.919 2.589 1.259 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 10 . 2333 . 1 1 5 ARG CD C -3.838 4.260 2.797 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 10 . 2334 . 1 1 5 ARG CG C -4.504 2.899 2.689 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 10 . 2335 . 1 1 5 ARG CZ C -5.089 6.388 2.914 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 10 . 2336 . 1 1 5 ARG H H -6.351 1.240 2.956 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 10 . 2337 . 1 1 5 ARG HA H -5.901 1.088 0.092 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 10 . 2338 . 1 1 5 ARG HB2 H -4.067 2.747 0.618 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2339 . 1 1 5 ARG HB3 H -5.703 3.277 0.978 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2340 . 1 1 5 ARG HD2 H -3.655 4.473 3.839 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2341 . 1 1 5 ARG HD3 H -2.898 4.228 2.266 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 10 . 2342 . 1 1 5 ARG HE H -4.905 5.248 1.278 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 10 . 2343 . 1 1 5 ARG HG2 H -5.380 2.890 3.319 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2344 . 1 1 5 ARG HG3 H -3.810 2.141 3.023 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2345 . 1 1 5 ARG HH11 H -4.281 5.807 4.683 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 10 . 2346 . 1 1 5 ARG HH12 H -5.128 7.319 4.715 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 10 . 2347 . 1 1 5 ARG HH21 H -6.023 7.242 1.329 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 10 . 2348 . 1 1 5 ARG HH22 H -6.114 8.131 2.818 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 10 . 2349 . 1 1 5 ARG N N -6.422 0.828 2.069 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 10 . 2350 . 1 1 5 ARG NE N -4.666 5.325 2.231 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 10 . 2351 . 1 1 5 ARG NH1 N -4.811 6.513 4.207 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 10 . 2352 . 1 1 5 ARG NH2 N -5.800 7.327 2.305 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 10 . 2353 . 1 1 5 ARG O O -3.094 0.580 1.203 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 10 . 2354 . 1 1 6 GLN C C -2.894 -2.225 -0.378 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 10 . 2355 . 1 1 6 GLN CA C -3.526 -2.134 1.007 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 10 . 2356 . 1 1 6 GLN CB C -4.109 -3.489 1.423 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 10 . 2357 . 1 1 6 GLN CD C -2.115 -4.217 2.805 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 10 . 2358 . 1 1 6 GLN CG C -3.051 -4.556 1.656 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 10 . 2359 . 1 1 6 GLN H H -5.501 -1.375 0.937 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 10 . 2360 . 1 1 6 GLN HA H -2.766 -1.842 1.717 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 10 . 2361 . 1 1 6 GLN HB2 H -4.670 -3.362 2.336 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2362 . 1 1 6 GLN HB3 H -4.775 -3.835 0.646 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2363 . 1 1 6 GLN HE21 H -3.580 -3.297 3.779 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 10 . 2364 . 1 1 6 GLN HE22 H -2.048 -3.316 4.573 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 10 . 2365 . 1 1 6 GLN HG2 H -3.544 -5.490 1.880 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2366 . 1 1 6 GLN HG3 H -2.465 -4.668 0.755 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2367 . 1 1 6 GLN N N -4.559 -1.109 1.009 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 10 . 2368 . 1 1 6 GLN NE2 N -2.633 -3.541 3.818 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 10 . 2369 . 1 1 6 GLN O O -3.354 -2.975 -1.238 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 10 . 2370 . 1 1 6 GLN OE1 O -0.939 -4.576 2.787 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 10 . 2371 . 1 1 7 . C C 0.163 -2.080 -1.850 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 10 . 2372 . 1 1 7 . CA C -1.180 -1.367 -1.878 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 10 . 2373 . 1 1 7 . CB C -0.994 0.097 -2.290 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 10 . 2374 . 1 1 7 . CG C -0.376 0.985 -1.218 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 10 . 2375 . 1 1 7 . H H -1.501 -0.908 0.163 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 10 . 2376 . 1 1 7 . HA H -1.810 -1.847 -2.602 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 10 . 2377 . 1 1 7 . HB2 H -1.959 0.506 -2.551 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2378 . 1 1 7 . HB3 H -0.356 0.132 -3.160 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2379 . 1 1 7 . HD1 H 1.132 -0.301 -0.494 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 10 . 2380 . 1 1 7 . HG2 H -0.993 0.934 -0.334 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2381 . 1 1 7 . HG3 H -0.365 1.994 -1.584 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2382 . 1 1 7 . N N -1.846 -1.446 -0.584 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 10 . 2383 . 1 1 7 . ND N 0.993 0.596 -0.864 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 10 . 2384 . 1 1 7 . O O 1.113 -1.638 -2.499 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 10 . 2385 . 1 1 8 SER C C 2.261 -3.206 0.242 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 10 . 2386 . 1 1 8 SER CA C 1.462 -3.911 -0.846 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 10 . 2387 . 1 1 8 SER CB C 2.310 -4.070 -2.118 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 10 . 2388 . 1 1 8 SER H H -0.618 -3.544 -0.739 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 10 . 2389 . 1 1 8 SER HA H 1.195 -4.892 -0.485 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 10 . 2390 . 1 1 8 SER HB2 H 1.976 -4.940 -2.661 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2391 . 1 1 8 SER HB3 H 2.189 -3.194 -2.738 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2392 . 1 1 8 SER HG H 4.211 -3.759 -2.477 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 10 . 2393 . 1 1 8 SER N N 0.216 -3.192 -1.114 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 10 . 2394 . 1 1 8 SER O O 2.549 -2.013 0.156 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 10 . 2395 . 1 1 8 SER OG O 3.687 -4.227 -1.812 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 10 . 2396 . 1 1 9 MET C C 4.831 -3.132 1.860 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 10 . 2397 . 1 1 9 MET CA C 3.427 -3.447 2.365 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 10 . 2398 . 1 1 9 MET CB C 3.498 -4.464 3.510 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 10 . 2399 . 1 1 9 MET CE C 4.925 -8.386 3.675 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 10 . 2400 . 1 1 9 MET CG C 4.135 -5.791 3.120 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 10 . 2401 . 1 1 9 MET H H 2.294 -4.888 1.314 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 10 . 2402 . 1 1 9 MET HA H 2.972 -2.537 2.726 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 10 . 2403 . 1 1 9 MET HB2 H 4.076 -4.039 4.318 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2404 . 1 1 9 MET HB3 H 2.497 -4.661 3.863 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2405 . 1 1 9 MET HE1 H 5.026 -9.195 4.384 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 10 . 2406 . 1 1 9 MET HE2 H 5.901 -8.114 3.300 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 10 . 2407 . 1 1 9 MET HE3 H 4.301 -8.704 2.853 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 10 . 2408 . 1 1 9 MET HG2 H 3.568 -6.221 2.308 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2409 . 1 1 9 MET HG3 H 5.146 -5.605 2.789 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2410 . 1 1 9 MET N N 2.607 -3.960 1.278 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 10 . 2411 . 1 1 9 MET O O 5.539 -2.301 2.429 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 10 . 2412 . 1 1 9 MET SD S 4.177 -6.972 4.482 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 10 . 2413 . 1 1 10 THR C C 6.666 -2.291 -0.546 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 10 . 2414 . 1 1 10 THR CA C 6.540 -3.610 0.209 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 10 . 2415 . 1 1 10 THR CB C 6.902 -4.783 -0.719 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 10 . 2416 . 1 1 10 THR CG2 C 8.037 -5.611 -0.131 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 10 . 2417 . 1 1 10 THR H H 4.584 -4.388 0.324 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 10 . 2418 . 1 1 10 THR HA H 7.239 -3.602 1.028 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 10 . 2419 . 1 1 10 THR HB H 7.221 -4.385 -1.672 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 10 . 2420 . 1 1 10 THR HG1 H 5.113 -5.153 -1.487 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 10 . 2421 . 1 1 10 THR HG21 H 8.273 -6.425 -0.800 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 10 . 2422 . 1 1 10 THR HG22 H 7.734 -6.006 0.826 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 10 . 2423 . 1 1 10 THR HG23 H 8.908 -4.986 -0.004 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 10 . 2424 . 1 1 10 THR N N 5.214 -3.780 0.769 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 10 . 2425 . 1 1 10 THR O O 7.764 -1.900 -0.938 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 10 . 2426 . 1 1 10 THR OG1 O 5.750 -5.615 -0.919 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 10 . 2427 . 1 1 11 GLU C C 6.234 0.741 -0.473 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 10 . 2428 . 1 1 11 GLU CA C 5.566 -0.290 -1.379 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 10 . 2429 . 1 1 11 GLU CB C 4.147 0.169 -1.744 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 10 . 2430 . 1 1 11 GLU CD C 2.046 1.377 -1.012 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 10 . 2431 . 1 1 11 GLU CG C 3.371 0.784 -0.585 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 10 . 2432 . 1 1 11 GLU H H 4.695 -1.958 -0.402 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 10 . 2433 . 1 1 11 GLU HA H 6.151 -0.387 -2.280 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 10 . 2434 . 1 1 11 GLU HB2 H 4.214 0.901 -2.530 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2435 . 1 1 11 GLU HB3 H 3.591 -0.683 -2.107 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2436 . 1 1 11 GLU HG2 H 3.180 0.017 0.148 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 10 . 2437 . 1 1 11 GLU HG3 H 3.965 1.560 -0.140 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 10 . 2438 . 1 1 11 GLU N N 5.546 -1.591 -0.719 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 10 . 2439 . 1 1 11 GLU O O 6.685 1.794 -0.924 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 10 . 2440 . 1 1 11 GLU OE1 O 1.974 2.533 -1.429 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 10 . 2441 . 1 1 12 PHE C C 8.426 1.096 1.830 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 10 . 2442 . 1 1 12 PHE CA C 6.919 1.299 1.794 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 10 . 2443 . 1 1 12 PHE CB C 6.326 1.053 3.180 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 10 . 2444 . 1 1 12 PHE CD1 C 4.512 2.767 3.389 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 10 . 2445 . 1 1 12 PHE CD2 C 3.890 0.468 3.293 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 10 . 2446 . 1 1 12 PHE CE1 C 3.183 3.127 3.490 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 10 . 2447 . 1 1 12 PHE CE2 C 2.560 0.822 3.393 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 10 . 2448 . 1 1 12 PHE CG C 4.880 1.436 3.289 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 10 . 2449 . 1 1 12 PHE CZ C 2.205 2.154 3.493 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 10 . 2450 . 1 1 12 PHE H H 5.947 -0.449 1.102 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 10 . 2451 . 1 1 12 PHE HA H 6.711 2.315 1.498 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 10 . 2452 . 1 1 12 PHE HB2 H 6.410 0.003 3.419 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2453 . 1 1 12 PHE HB3 H 6.880 1.627 3.907 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2454 . 1 1 12 PHE HD1 H 5.277 3.529 3.386 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 10 . 2455 . 1 1 12 PHE HD2 H 4.167 -0.573 3.216 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2456 . 1 1 12 PHE HE1 H 2.908 4.168 3.567 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 10 . 2457 . 1 1 12 PHE HE2 H 1.798 0.058 3.394 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 10 . 2458 . 1 1 12 PHE HZ H 1.166 2.433 3.572 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 10 . 2459 . 1 1 12 PHE N N 6.310 0.413 0.811 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 10 . 2460 . 1 1 12 PHE O O 9.170 1.959 2.293 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 10 . 2461 . 1 1 13 TYR C C 10.898 0.322 0.051 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 10 . 2462 . 1 1 13 TYR CA C 10.281 -0.358 1.268 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 10 . 2463 . 1 1 13 TYR CB C 10.488 -1.874 1.192 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 10 . 2464 . 1 1 13 TYR CD1 C 12.689 -2.415 0.076 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 10 . 2465 . 1 1 13 TYR CD2 C 12.558 -2.568 2.450 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 10 . 2466 . 1 1 13 TYR CE1 C 14.016 -2.790 0.119 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 10 . 2467 . 1 1 13 TYR CE2 C 13.883 -2.947 2.501 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 10 . 2468 . 1 1 13 TYR CG C 11.938 -2.296 1.239 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 10 . 2469 . 1 1 13 TYR CZ C 14.608 -3.055 1.334 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 10 . 2470 . 1 1 13 TYR H H 8.219 -0.698 0.990 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 10 . 2471 . 1 1 13 TYR HA H 10.752 0.023 2.163 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 10 . 2472 . 1 1 13 TYR HB2 H 9.981 -2.341 2.022 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2473 . 1 1 13 TYR HB3 H 10.067 -2.241 0.267 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2474 . 1 1 13 TYR HD1 H 12.222 -2.205 -0.874 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 10 . 2475 . 1 1 13 TYR HD2 H 11.988 -2.482 3.363 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2476 . 1 1 13 TYR HE1 H 14.582 -2.877 -0.794 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 10 . 2477 . 1 1 13 TYR HE2 H 14.345 -3.154 3.454 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 10 . 2478 . 1 1 13 TYR HH H 16.463 -2.773 0.903 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 10 . 2479 . 1 1 13 TYR N N 8.865 -0.049 1.335 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 10 . 2480 . 1 1 13 TYR O O 10.455 0.100 -1.074 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 10 . 2481 . 1 1 13 TYR OH O 15.934 -3.425 1.381 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 10 . 2482 . 1 1 14 HIS C C 13.658 0.938 -1.398 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 10 . 2483 . 1 1 14 HIS CA C 12.574 1.838 -0.822 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 10 . 2484 . 1 1 14 HIS CB C 13.181 3.167 -0.361 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 10 . 2485 . 1 1 14 HIS CD2 C 13.060 4.780 -2.388 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 10 . 2486 . 1 1 14 HIS CE1 C 15.197 4.879 -2.853 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 10 . 2487 . 1 1 14 HIS CG C 13.708 4.000 -1.491 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 10 . 2488 . 1 1 14 HIS H H 12.186 1.331 1.197 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 10 . 2489 . 1 1 14 HIS HA H 11.840 2.035 -1.591 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 10 . 2490 . 1 1 14 HIS HB2 H 12.428 3.743 0.154 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 10 . 2491 . 1 1 14 HIS HB3 H 14.000 2.966 0.314 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 10 . 2492 . 1 1 14 HIS HD1 H 15.782 3.639 -1.333 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 10 . 2493 . 1 1 14 HIS HD2 H 11.995 4.954 -2.434 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 10 . 2494 . 1 1 14 HIS HE1 H 16.135 5.127 -3.329 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 10 . 2495 . 1 1 14 HIS HE2 H 13.830 5.886 -3.999 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 10 . 2496 . 1 1 14 HIS N N 11.897 1.163 0.276 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 10 . 2497 . 1 1 14 HIS ND1 N 15.047 4.085 -1.810 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 10 . 2498 . 1 1 14 HIS NE2 N 14.009 5.312 -3.221 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 10 . 2499 . 1 1 14 HIS O O 13.444 0.366 -2.484 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 10 . 2500 . 1 1 14 HIS OXT O 14.715 0.796 -0.751 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 11 . 2501 . 1 1 1 GLY C C -10.497 4.877 0.904 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 11 . 2502 . 1 1 1 GLY CA C -11.387 3.787 1.458 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 11 . 2503 . 1 1 1 GLY H1 H -10.100 2.224 0.979 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 11 . 2504 . 1 1 1 GLY H2 H -11.285 2.518 -0.186 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 11 . 2505 . 1 1 1 GLY H3 H -11.696 1.738 1.255 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 11 . 2506 . 1 1 1 GLY HA2 H -12.418 4.049 1.269 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 11 . 2507 . 1 1 1 GLY HA3 H -11.230 3.711 2.522 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 11 . 2508 . 1 1 1 GLY N N -11.099 2.475 0.834 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 11 . 2509 . 1 1 1 GLY O O -10.481 5.118 -0.304 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 11 . 2510 . 1 1 2 ARG C C -7.415 5.972 1.212 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 11 . 2511 . 1 1 2 ARG CA C -8.810 6.558 1.350 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 11 . 2512 . 1 1 2 ARG CB C -8.786 7.723 2.341 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 11 . 2513 . 1 1 2 ARG CD C -10.392 9.139 1.040 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 11 . 2514 . 1 1 2 ARG CG C -10.081 8.513 2.388 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 11 . 2515 . 1 1 2 ARG CZ C -11.651 11.144 0.370 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 11 . 2516 . 1 1 2 ARG H H -9.827 5.319 2.734 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 11 . 2517 . 1 1 2 ARG HA H -9.132 6.921 0.386 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 11 . 2518 . 1 1 2 ARG HB2 H -8.592 7.336 3.329 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2519 . 1 1 2 ARG HB3 H -7.989 8.397 2.067 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2520 . 1 1 2 ARG HD2 H -9.532 9.699 0.710 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2521 . 1 1 2 ARG HD3 H -10.600 8.350 0.331 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 11 . 2522 . 1 1 2 ARG HE H -12.269 9.796 1.719 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 11 . 2523 . 1 1 2 ARG HG2 H -10.886 7.848 2.660 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2524 . 1 1 2 ARG HG3 H -9.989 9.295 3.128 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2525 . 1 1 2 ARG HH11 H -9.874 10.900 -0.577 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 11 . 2526 . 1 1 2 ARG HH12 H -10.769 12.312 -1.032 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 11 . 2527 . 1 1 2 ARG HH21 H -13.451 11.677 1.130 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 11 . 2528 . 1 1 2 ARG HH22 H -12.798 12.753 -0.061 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 11 . 2529 . 1 1 2 ARG N N -9.749 5.532 1.778 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 11 . 2530 . 1 1 2 ARG NE N -11.543 10.035 1.100 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 11 . 2531 . 1 1 2 ARG NH1 N -10.687 11.479 -0.480 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 11 . 2532 . 1 1 2 ARG NH2 N -12.719 11.920 0.489 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 11 . 2533 . 1 1 2 ARG O O -6.754 6.146 0.189 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 11 . 2534 . 1 1 3 LYS C C -5.767 3.195 1.874 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 11 . 2535 . 1 1 3 LYS CA C -5.659 4.663 2.254 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 11 . 2536 . 1 1 3 LYS CB C -5.013 4.809 3.634 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 11 . 2537 . 1 1 3 LYS CD C -4.260 6.355 5.466 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 11 . 2538 . 1 1 3 LYS CE C -4.088 7.805 5.889 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 11 . 2539 . 1 1 3 LYS CG C -4.830 6.255 4.061 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 11 . 2540 . 1 1 3 LYS H H -7.557 5.166 3.031 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 11 . 2541 . 1 1 3 LYS HA H -5.050 5.170 1.522 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 11 . 2542 . 1 1 3 LYS HB2 H -5.636 4.316 4.365 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2543 . 1 1 3 LYS HB3 H -4.043 4.334 3.620 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2544 . 1 1 3 LYS HD2 H -4.935 5.868 6.152 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2545 . 1 1 3 LYS HD3 H -3.299 5.864 5.491 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 11 . 2546 . 1 1 3 LYS HE2 H -3.396 8.283 5.211 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 11 . 2547 . 1 1 3 LYS HE3 H -5.045 8.298 5.831 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 11 . 2548 . 1 1 3 LYS HG2 H -4.155 6.740 3.373 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2549 . 1 1 3 LYS HG3 H -5.790 6.749 4.035 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2550 . 1 1 3 LYS HZ1 H -2.642 7.447 7.352 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 11 . 2551 . 1 1 3 LYS HZ2 H -4.222 7.482 7.948 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 11 . 2552 . 1 1 3 LYS HZ3 H -3.448 8.923 7.532 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 11 . 2553 . 1 1 3 LYS N N -6.975 5.277 2.249 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 11 . 2554 . 1 1 3 LYS NZ N -3.564 7.922 7.275 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 11 . 2555 . 1 1 3 LYS O O -6.382 2.402 2.592 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 11 . 2556 . 1 1 4 ARG C C -4.455 0.542 1.133 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 11 . 2557 . 1 1 4 ARG CA C -5.249 1.483 0.232 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 11 . 2558 . 1 1 4 ARG CB C -4.708 1.428 -1.198 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 11 . 2559 . 1 1 4 ARG CD C -6.251 -0.388 -2.008 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 11 . 2560 . 1 1 4 ARG CG C -4.806 0.053 -1.841 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 11 . 2561 . 1 1 4 ARG CZ C -7.503 -2.382 -2.742 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 11 . 2562 . 1 1 4 ARG H H -4.704 3.524 0.219 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 11 . 2563 . 1 1 4 ARG HA H -6.284 1.176 0.231 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 11 . 2564 . 1 1 4 ARG HB2 H -5.263 2.125 -1.807 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2565 . 1 1 4 ARG HB3 H -3.669 1.722 -1.189 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2566 . 1 1 4 ARG HD2 H -6.736 -0.371 -1.044 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2567 . 1 1 4 ARG HD3 H -6.748 0.302 -2.671 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 11 . 2568 . 1 1 4 ARG HE H -5.511 -2.181 -2.826 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 11 . 2569 . 1 1 4 ARG HG2 H -4.337 0.089 -2.812 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2570 . 1 1 4 ARG HG3 H -4.291 -0.661 -1.216 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2571 . 1 1 4 ARG HH11 H -8.655 -0.868 -2.041 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 11 . 2572 . 1 1 4 ARG HH12 H -9.518 -2.283 -2.551 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 11 . 2573 . 1 1 4 ARG HH21 H -6.645 -4.050 -3.512 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 11 . 2574 . 1 1 4 ARG HH22 H -8.375 -4.098 -3.383 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 11 . 2575 . 1 1 4 ARG N N -5.188 2.846 0.736 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 11 . 2576 . 1 1 4 ARG NE N -6.352 -1.736 -2.567 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 11 . 2577 . 1 1 4 ARG NH1 N -8.650 -1.799 -2.418 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 11 . 2578 . 1 1 4 ARG NH2 N -7.507 -3.607 -3.254 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 11 . 2579 . 1 1 4 ARG O O -3.248 0.697 1.304 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 11 . 2580 . 1 1 5 ARG C C -3.897 -2.525 1.757 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 11 . 2581 . 1 1 5 ARG CA C -4.519 -1.406 2.582 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 11 . 2582 . 1 1 5 ARG CB C -5.546 -1.985 3.562 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 11 . 2583 . 1 1 5 ARG CD C -3.960 -2.397 5.473 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 11 . 2584 . 1 1 5 ARG CG C -4.968 -3.017 4.518 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 11 . 2585 . 1 1 5 ARG CZ C -3.908 -0.613 7.176 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 11 . 2586 . 1 1 5 ARG H H -6.115 -0.492 1.541 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 11 . 2587 . 1 1 5 ARG HA H -3.742 -0.904 3.138 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 11 . 2588 . 1 1 5 ARG HB2 H -5.960 -1.178 4.149 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2589 . 1 1 5 ARG HB3 H -6.340 -2.452 2.999 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2590 . 1 1 5 ARG HD2 H -3.536 -3.178 6.086 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2591 . 1 1 5 ARG HD3 H -3.177 -1.927 4.896 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 11 . 2592 . 1 1 5 ARG HE H -5.560 -1.309 6.299 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 11 . 2593 . 1 1 5 ARG HG2 H -5.771 -3.452 5.093 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2594 . 1 1 5 ARG HG3 H -4.477 -3.788 3.943 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2595 . 1 1 5 ARG HH11 H -2.087 -1.344 6.669 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 11 . 2596 . 1 1 5 ARG HH12 H -2.074 -0.099 7.874 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 11 . 2597 . 1 1 5 ARG HH21 H -5.565 0.315 7.878 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 11 . 2598 . 1 1 5 ARG HH22 H -4.064 0.844 8.574 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 11 . 2599 . 1 1 5 ARG N N -5.150 -0.429 1.709 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 11 . 2600 . 1 1 5 ARG NE N -4.579 -1.395 6.339 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 11 . 2601 . 1 1 5 ARG NH1 N -2.584 -0.692 7.247 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 11 . 2602 . 1 1 5 ARG NH2 N -4.563 0.253 7.936 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 11 . 2603 . 1 1 5 ARG O O -2.718 -2.846 1.909 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 11 . 2604 . 1 1 6 GLN C C -3.508 -3.701 -1.185 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 11 . 2605 . 1 1 6 GLN CA C -4.234 -4.215 0.053 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 11 . 2606 . 1 1 6 GLN CB C -5.407 -5.116 -0.344 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 11 . 2607 . 1 1 6 GLN CD C -3.984 -7.202 -0.250 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 11 . 2608 . 1 1 6 GLN CG C -4.974 -6.387 -1.060 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 11 . 2609 . 1 1 6 GLN H H -5.609 -2.777 0.762 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 11 . 2610 . 1 1 6 GLN HA H -3.537 -4.791 0.643 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 11 . 2611 . 1 1 6 GLN HB2 H -5.950 -5.396 0.547 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2612 . 1 1 6 GLN HB3 H -6.066 -4.566 -1.000 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2613 . 1 1 6 GLN HE21 H -3.104 -7.825 -1.914 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 11 . 2614 . 1 1 6 GLN HE22 H -2.433 -8.422 -0.438 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 11 . 2615 . 1 1 6 GLN HG2 H -5.847 -6.993 -1.252 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2616 . 1 1 6 GLN HG3 H -4.513 -6.116 -1.997 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2617 . 1 1 6 GLN N N -4.692 -3.107 0.871 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 11 . 2618 . 1 1 6 GLN NE2 N -3.083 -7.884 -0.934 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 11 . 2619 . 1 1 6 GLN O O -4.037 -3.727 -2.298 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 11 . 2620 . 1 1 6 GLN OE1 O -4.017 -7.206 0.982 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 11 . 2621 . 1 1 7 . C C -0.013 -3.215 -1.780 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 11 . 2622 . 1 1 7 . CA C -1.440 -2.759 -2.050 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 11 . 2623 . 1 1 7 . CB C -1.514 -1.240 -2.214 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 11 . 2624 . 1 1 7 . CG C -1.211 -0.462 -0.947 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 11 . 2625 . 1 1 7 . H H -1.997 -3.096 -0.037 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 11 . 2626 . 1 1 7 . HA H -1.785 -3.221 -2.954 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 11 . 2627 . 1 1 7 . HB2 H -2.509 -0.976 -2.543 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2628 . 1 1 7 . HB3 H -0.806 -0.939 -2.971 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2629 . 1 1 7 . HD1 H 0.618 -1.348 -0.421 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 11 . 2630 . 1 1 7 . HG2 H -1.767 -0.897 -0.130 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2631 . 1 1 7 . HG3 H -1.523 0.553 -1.091 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2632 . 1 1 7 . N N -2.307 -3.195 -0.967 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 11 . 2633 . 1 1 7 . ND N 0.206 -0.481 -0.618 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 11 . 2634 . 1 1 7 . O O 0.947 -2.623 -2.275 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 11 . 2635 . 1 1 8 SER C C 2.009 -3.937 0.512 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 11 . 2636 . 1 1 8 SER CA C 1.363 -4.848 -0.526 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 11 . 2637 . 1 1 8 SER CB C 2.349 -5.078 -1.679 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 11 . 2638 . 1 1 8 SER H H -0.734 -4.733 -0.712 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 11 . 2639 . 1 1 8 SER HA H 1.148 -5.797 -0.060 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 11 . 2640 . 1 1 8 SER HB2 H 3.008 -5.895 -1.429 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2641 . 1 1 8 SER HB3 H 1.799 -5.318 -2.577 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2642 . 1 1 8 SER HG H 2.538 -3.161 -2.051 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 11 . 2643 . 1 1 8 SER N N 0.091 -4.288 -0.991 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 11 . 2644 . 1 1 8 SER O O 2.003 -2.708 0.384 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 11 . 2645 . 1 1 8 SER OG O 3.133 -3.918 -1.919 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 11 . 2646 . 1 1 9 MET C C 4.602 -3.248 1.961 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 11 . 2647 . 1 1 9 MET CA C 3.308 -3.802 2.549 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 11 . 2648 . 1 1 9 MET CB C 3.624 -4.692 3.759 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 11 . 2649 . 1 1 9 MET CE C 6.139 -8.000 4.198 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 11 . 2650 . 1 1 9 MET CG C 4.623 -5.801 3.462 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 11 . 2651 . 1 1 9 MET H H 2.514 -5.527 1.612 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 11 . 2652 . 1 1 9 MET HA H 2.686 -2.979 2.866 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 11 . 2653 . 1 1 9 MET HB2 H 4.027 -4.076 4.547 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2654 . 1 1 9 MET HB3 H 2.707 -5.147 4.105 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2655 . 1 1 9 MET HE1 H 6.439 -8.709 4.957 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 11 . 2656 . 1 1 9 MET HE2 H 7.007 -7.469 3.838 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 11 . 2657 . 1 1 9 MET HE3 H 5.675 -8.526 3.377 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 11 . 2658 . 1 1 9 MET HG2 H 4.226 -6.424 2.677 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2659 . 1 1 9 MET HG3 H 5.547 -5.350 3.128 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2660 . 1 1 9 MET N N 2.584 -4.548 1.534 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 11 . 2661 . 1 1 9 MET O O 5.243 -2.375 2.547 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 11 . 2662 . 1 1 9 MET SD S 4.973 -6.834 4.897 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 11 . 2663 . 1 1 10 THR C C 6.152 -2.003 -0.483 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 11 . 2664 . 1 1 10 THR CA C 6.234 -3.365 0.183 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 11 . 2665 . 1 1 10 THR CB C 6.713 -4.432 -0.816 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 11 . 2666 . 1 1 10 THR CG2 C 7.405 -5.572 -0.088 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 11 . 2667 . 1 1 10 THR H H 4.350 -4.314 0.271 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 11 . 2668 . 1 1 10 THR HA H 6.957 -3.307 0.980 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 11 . 2669 . 1 1 10 THR HB H 7.417 -3.979 -1.496 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 11 . 2670 . 1 1 10 THR HG1 H 5.274 -4.266 -2.163 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 11 . 2671 . 1 1 10 THR HG21 H 6.725 -6.003 0.632 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 11 . 2672 . 1 1 10 THR HG22 H 8.280 -5.194 0.421 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 11 . 2673 . 1 1 10 THR HG23 H 7.699 -6.326 -0.801 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 11 . 2674 . 1 1 10 THR N N 4.967 -3.731 0.778 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 11 . 2675 . 1 1 10 THR O O 7.168 -1.430 -0.868 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 11 . 2676 . 1 1 10 THR OG1 O 5.602 -4.946 -1.560 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 11 . 2677 . 1 1 11 GLU C C 5.273 0.928 -0.232 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 11 . 2678 . 1 1 11 GLU CA C 4.744 -0.151 -1.166 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 11 . 2679 . 1 1 11 GLU CB C 3.266 0.097 -1.463 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 11 . 2680 . 1 1 11 GLU CD C 0.968 0.589 -0.579 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 11 . 2681 . 1 1 11 GLU CG C 2.411 0.334 -0.229 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 11 . 2682 . 1 1 11 GLU H H 4.158 -1.969 -0.255 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 11 . 2683 . 1 1 11 GLU HA H 5.300 -0.114 -2.086 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 11 . 2684 . 1 1 11 GLU HB2 H 3.182 0.962 -2.099 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2685 . 1 1 11 GLU HB3 H 2.870 -0.760 -1.987 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2686 . 1 1 11 GLU HG2 H 2.462 -0.541 0.402 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 11 . 2687 . 1 1 11 GLU HG3 H 2.791 1.182 0.306 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 11 . 2688 . 1 1 11 GLU N N 4.938 -1.466 -0.579 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 11 . 2689 . 1 1 11 GLU O O 5.560 2.048 -0.652 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 11 . 2690 . 1 1 11 GLU OE1 O 0.555 1.727 -0.811 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 11 . 2691 . 1 1 12 PHE C C 7.405 1.551 2.083 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 11 . 2692 . 1 1 12 PHE CA C 5.882 1.519 2.044 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 11 . 2693 . 1 1 12 PHE CB C 5.314 1.151 3.414 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 11 . 2694 . 1 1 12 PHE CD1 C 3.176 -0.155 3.480 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 11 . 2695 . 1 1 12 PHE CD2 C 3.044 2.222 3.394 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 11 . 2696 . 1 1 12 PHE CE1 C 1.798 -0.236 3.489 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 11 . 2697 . 1 1 12 PHE CE2 C 1.665 2.150 3.403 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 11 . 2698 . 1 1 12 PHE CG C 3.814 1.072 3.433 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 11 . 2699 . 1 1 12 PHE CZ C 1.040 0.919 3.451 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 11 . 2700 . 1 1 12 PHE H H 5.228 -0.354 1.301 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 11 . 2701 . 1 1 12 PHE HA H 5.522 2.498 1.764 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 11 . 2702 . 1 1 12 PHE HB2 H 5.702 0.189 3.711 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2703 . 1 1 12 PHE HB3 H 5.617 1.897 4.135 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2704 . 1 1 12 PHE HD1 H 3.768 -1.058 3.509 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 11 . 2705 . 1 1 12 PHE HD2 H 3.532 3.185 3.357 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2706 . 1 1 12 PHE HE1 H 1.314 -1.199 3.526 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 11 . 2707 . 1 1 12 PHE HE2 H 1.076 3.054 3.374 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 11 . 2708 . 1 1 12 PHE HZ H -0.038 0.858 3.457 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 11 . 2709 . 1 1 12 PHE N N 5.425 0.573 1.037 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 11 . 2710 . 1 1 12 PHE O O 8.007 2.381 2.761 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 11 . 2711 . 1 1 13 TYR C C 9.921 1.531 0.114 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 11 . 2712 . 1 1 13 TYR CA C 9.464 0.575 1.218 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 11 . 2713 . 1 1 13 TYR CB C 9.897 -0.864 0.914 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 11 . 2714 . 1 1 13 TYR CD1 C 12.118 -1.073 2.097 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 11 . 2715 . 1 1 13 TYR CD2 C 12.078 -1.321 -0.274 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 11 . 2716 . 1 1 13 TYR CE1 C 13.481 -1.288 2.101 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 11 . 2717 . 1 1 13 TYR CE2 C 13.441 -1.536 -0.278 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 11 . 2718 . 1 1 13 TYR CG C 11.394 -1.085 0.912 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 11 . 2719 . 1 1 13 TYR CZ C 14.139 -1.518 0.911 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 11 . 2720 . 1 1 13 TYR H H 7.471 -0.040 0.883 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 11 . 2721 . 1 1 13 TYR HA H 9.900 0.888 2.155 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 11 . 2722 . 1 1 13 TYR HB2 H 9.472 -1.520 1.656 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2723 . 1 1 13 TYR HB3 H 9.520 -1.143 -0.061 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2724 . 1 1 13 TYR HD1 H 11.601 -0.889 3.027 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 11 . 2725 . 1 1 13 TYR HD2 H 11.531 -1.333 -1.205 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2726 . 1 1 13 TYR HE1 H 14.027 -1.274 3.033 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 11 . 2727 . 1 1 13 TYR HE2 H 13.955 -1.716 -1.208 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 11 . 2728 . 1 1 13 TYR HH H 15.902 -1.233 0.191 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 11 . 2729 . 1 1 13 TYR N N 8.014 0.628 1.352 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 11 . 2730 . 1 1 13 TYR O O 11.110 1.805 -0.045 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 11 . 2731 . 1 1 13 TYR OH O 15.497 -1.739 0.910 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 11 . 2732 . 1 1 14 HIS C C 9.413 4.365 -1.249 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 11 . 2733 . 1 1 14 HIS CA C 9.234 2.942 -1.753 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 11 . 2734 . 1 1 14 HIS CB C 8.105 2.900 -2.791 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 11 . 2735 . 1 1 14 HIS CD2 C 7.686 0.377 -3.219 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 11 . 2736 . 1 1 14 HIS CE1 C 8.177 0.325 -5.350 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 11 . 2737 . 1 1 14 HIS CG C 8.042 1.630 -3.582 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 11 . 2738 . 1 1 14 HIS H H 8.024 1.820 -0.432 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 11 . 2739 . 1 1 14 HIS HA H 10.153 2.619 -2.219 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 11 . 2740 . 1 1 14 HIS HB2 H 7.159 3.017 -2.283 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 11 . 2741 . 1 1 14 HIS HB3 H 8.235 3.718 -3.485 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 11 . 2742 . 1 1 14 HIS HD1 H 8.643 2.314 -5.483 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 11 . 2743 . 1 1 14 HIS HD2 H 7.391 0.058 -2.229 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 11 . 2744 . 1 1 14 HIS HE1 H 8.342 -0.023 -6.358 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 11 . 2745 . 1 1 14 HIS HE2 H 7.452 -1.340 -4.403 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 11 . 2746 . 1 1 14 HIS N N 8.954 2.040 -0.641 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 11 . 2747 . 1 1 14 HIS ND1 N 8.346 1.563 -4.924 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 11 . 2748 . 1 1 14 HIS NE2 N 7.777 -0.414 -4.334 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 11 . 2749 . 1 1 14 HIS O O 10.560 4.861 -1.247 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 11 . 2750 . 1 1 14 HIS OXT O 8.408 4.982 -0.841 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 12 . 2751 . 1 1 1 GLY C C -13.008 3.270 2.978 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 12 . 2752 . 1 1 1 GLY CA C -14.434 2.776 2.872 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 12 . 2753 . 1 1 1 GLY H1 H -15.974 2.665 1.475 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 12 . 2754 . 1 1 1 GLY H2 H -14.427 2.593 0.802 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 12 . 2755 . 1 1 1 GLY H3 H -15.037 4.066 1.356 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 12 . 2756 . 1 1 1 GLY HA2 H -15.034 3.274 3.618 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 12 . 2757 . 1 1 1 GLY HA3 H -14.456 1.713 3.057 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 12 . 2758 . 1 1 1 GLY N N -15.009 3.042 1.534 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 12 . 2759 . 1 1 1 GLY O O -12.515 3.959 2.079 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 12 . 2760 . 1 1 2 ARG C C -10.022 2.437 3.453 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 12 . 2761 . 1 1 2 ARG CA C -10.951 3.314 4.277 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 12 . 2762 . 1 1 2 ARG CB C -10.576 3.225 5.759 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 12 . 2763 . 1 1 2 ARG CD C -11.325 5.570 6.280 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 12 . 2764 . 1 1 2 ARG CG C -11.426 4.104 6.661 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 12 . 2765 . 1 1 2 ARG CZ C -12.354 7.712 6.943 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 12 . 2766 . 1 1 2 ARG H H -12.787 2.368 4.751 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 12 . 2767 . 1 1 2 ARG HA H -10.846 4.337 3.947 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 12 . 2768 . 1 1 2 ARG HB2 H -10.688 2.201 6.084 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2769 . 1 1 2 ARG HB3 H -9.543 3.518 5.876 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2770 . 1 1 2 ARG HD2 H -10.299 5.887 6.378 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2771 . 1 1 2 ARG HD3 H -11.640 5.684 5.253 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 12 . 2772 . 1 1 2 ARG HE H -12.618 5.967 7.887 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 12 . 2773 . 1 1 2 ARG HG2 H -12.456 3.795 6.580 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2774 . 1 1 2 ARG HG3 H -11.095 3.984 7.682 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2775 . 1 1 2 ARG HH11 H -11.200 7.821 5.275 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 12 . 2776 . 1 1 2 ARG HH12 H -11.921 9.317 5.777 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 12 . 2777 . 1 1 2 ARG HH21 H -13.582 7.927 8.541 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 12 . 2778 . 1 1 2 ARG HH22 H -13.273 9.377 7.640 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 12 . 2779 . 1 1 2 ARG N N -12.338 2.917 4.069 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 12 . 2780 . 1 1 2 ARG NE N -12.165 6.408 7.130 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 12 . 2781 . 1 1 2 ARG NH1 N -11.779 8.332 5.917 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 12 . 2782 . 1 1 2 ARG NH2 N -13.133 8.393 7.773 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 12 . 2783 . 1 1 2 ARG O O -8.904 2.833 3.127 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 12 . 2784 . 1 1 3 LYS C C -9.824 0.764 0.817 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 12 . 2785 . 1 1 3 LYS CA C -9.739 0.330 2.273 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 12 . 2786 . 1 1 3 LYS CB C -10.262 -1.099 2.431 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 12 . 2787 . 1 1 3 LYS CD C -10.666 -3.048 3.963 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 12 . 2788 . 1 1 3 LYS CE C -10.240 -3.733 5.251 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 12 . 2789 . 1 1 3 LYS CG C -9.991 -1.697 3.799 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 12 . 2790 . 1 1 3 LYS H H -11.381 0.971 3.442 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 12 . 2791 . 1 1 3 LYS HA H -8.708 0.366 2.589 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 12 . 2792 . 1 1 3 LYS HB2 H -11.330 -1.099 2.267 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2793 . 1 1 3 LYS HB3 H -9.793 -1.727 1.686 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2794 . 1 1 3 LYS HD2 H -11.737 -2.904 3.982 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2795 . 1 1 3 LYS HD3 H -10.400 -3.676 3.126 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 12 . 2796 . 1 1 3 LYS HE2 H -10.780 -4.663 5.344 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 12 . 2797 . 1 1 3 LYS HE3 H -9.182 -3.938 5.198 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 12 . 2798 . 1 1 3 LYS HG2 H -8.925 -1.822 3.922 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2799 . 1 1 3 LYS HG3 H -10.366 -1.022 4.556 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2800 . 1 1 3 LYS HZ1 H -11.529 -2.706 6.536 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 12 . 2801 . 1 1 3 LYS HZ2 H -10.007 -1.992 6.377 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 12 . 2802 . 1 1 3 LYS HZ3 H -10.187 -3.387 7.310 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 12 . 2803 . 1 1 3 LYS N N -10.495 1.244 3.116 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 12 . 2804 . 1 1 3 LYS NZ N -10.510 -2.897 6.451 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 12 . 2805 . 1 1 3 LYS O O -10.605 0.220 0.033 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 12 . 2806 . 1 1 4 ARG C C -8.010 1.485 -1.728 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 12 . 2807 . 1 1 4 ARG CA C -9.021 2.261 -0.897 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 12 . 2808 . 1 1 4 ARG CB C -8.694 3.757 -0.919 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 12 . 2809 . 1 1 4 ARG CD C -10.065 4.267 -2.960 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 12 . 2810 . 1 1 4 ARG CG C -8.692 4.358 -2.316 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 12 . 2811 . 1 1 4 ARG CZ C -10.811 3.869 -5.271 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 12 . 2812 . 1 1 4 ARG H H -8.442 2.168 1.133 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 12 . 2813 . 1 1 4 ARG HA H -10.004 2.107 -1.313 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 12 . 2814 . 1 1 4 ARG HB2 H -9.426 4.283 -0.325 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2815 . 1 1 4 ARG HB3 H -7.716 3.906 -0.486 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2816 . 1 1 4 ARG HD2 H -10.478 3.291 -2.763 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2817 . 1 1 4 ARG HD3 H -10.703 5.024 -2.527 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 12 . 2818 . 1 1 4 ARG HE H -9.290 5.062 -4.743 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 12 . 2819 . 1 1 4 ARG HG2 H -8.404 5.396 -2.252 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2820 . 1 1 4 ARG HG3 H -7.982 3.820 -2.927 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2821 . 1 1 4 ARG HH11 H -11.967 2.990 -3.851 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 12 . 2822 . 1 1 4 ARG HH12 H -12.423 2.655 -5.493 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 12 . 2823 . 1 1 4 ARG HH21 H -9.879 4.619 -6.908 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 12 . 2824 . 1 1 4 ARG HH22 H -11.235 3.585 -7.231 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 12 . 2825 . 1 1 4 ARG N N -9.033 1.760 0.461 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 12 . 2826 . 1 1 4 ARG NE N -10.000 4.469 -4.402 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 12 . 2827 . 1 1 4 ARG NH1 N -11.814 3.112 -4.837 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 12 . 2828 . 1 1 4 ARG NH2 N -10.628 4.038 -6.574 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 12 . 2829 . 1 1 4 ARG O O -8.345 0.927 -2.772 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 12 . 2830 . 1 1 5 ARG C C -4.603 0.384 -0.972 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 12 . 2831 . 1 1 5 ARG CA C -5.717 0.738 -1.948 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 12 . 2832 . 1 1 5 ARG CB C -5.160 1.600 -3.089 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 12 . 2833 . 1 1 5 ARG CD C -5.005 -0.222 -4.813 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 12 . 2834 . 1 1 5 ARG CG C -4.246 0.846 -4.042 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 12 . 2835 . 1 1 5 ARG CZ C -4.567 -1.862 -6.601 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 12 . 2836 . 1 1 5 ARG H H -6.576 1.895 -0.405 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 12 . 2837 . 1 1 5 ARG HA H -6.131 -0.171 -2.355 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 12 . 2838 . 1 1 5 ARG HB2 H -5.985 1.999 -3.657 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2839 . 1 1 5 ARG HB3 H -4.600 2.419 -2.663 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2840 . 1 1 5 ARG HD2 H -5.440 -0.916 -4.112 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2841 . 1 1 5 ARG HD3 H -5.789 0.252 -5.384 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 12 . 2842 . 1 1 5 ARG HE H -3.169 -0.768 -5.681 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 12 . 2843 . 1 1 5 ARG HG2 H -3.817 1.545 -4.744 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2844 . 1 1 5 ARG HG3 H -3.459 0.374 -3.472 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2845 . 1 1 5 ARG HH11 H -6.519 -1.682 -6.087 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 12 . 2846 . 1 1 5 ARG HH12 H -6.187 -2.827 -7.342 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 12 . 2847 . 1 1 5 ARG HH21 H -2.722 -2.278 -7.325 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 12 . 2848 . 1 1 5 ARG HH22 H -4.022 -3.168 -8.055 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 12 . 2849 . 1 1 5 ARG N N -6.778 1.443 -1.253 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 12 . 2850 . 1 1 5 ARG NE N -4.135 -0.959 -5.726 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 12 . 2851 . 1 1 5 ARG NH1 N -5.861 -2.147 -6.683 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 12 . 2852 . 1 1 5 ARG NH2 N -3.702 -2.487 -7.389 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 12 . 2853 . 1 1 5 ARG O O -3.633 1.127 -0.820 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 12 . 2854 . 1 1 6 GLN C C -2.614 -1.888 -0.076 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 12 . 2855 . 1 1 6 GLN CA C -3.754 -1.196 0.659 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 12 . 2856 . 1 1 6 GLN CB C -4.373 -2.150 1.683 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 12 . 2857 . 1 1 6 GLN CD C -6.121 -2.522 3.463 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 12 . 2858 . 1 1 6 GLN CG C -5.579 -1.578 2.409 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 12 . 2859 . 1 1 6 GLN H H -5.556 -1.288 -0.444 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 12 . 2860 . 1 1 6 GLN HA H -3.366 -0.328 1.170 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 12 . 2861 . 1 1 6 GLN HB2 H -4.680 -3.052 1.175 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2862 . 1 1 6 GLN HB3 H -3.624 -2.401 2.419 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2863 . 1 1 6 GLN HE21 H -7.270 -3.416 2.111 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 12 . 2864 . 1 1 6 GLN HE22 H -7.360 -4.050 3.718 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 12 . 2865 . 1 1 6 GLN HG2 H -5.291 -0.653 2.888 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2866 . 1 1 6 GLN HG3 H -6.359 -1.382 1.687 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2867 . 1 1 6 GLN N N -4.755 -0.743 -0.295 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 12 . 2868 . 1 1 6 GLN NE2 N -7.010 -3.415 3.060 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 12 . 2869 . 1 1 6 GLN O O -2.577 -3.114 -0.177 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 12 . 2870 . 1 1 6 GLN OE1 O -5.733 -2.460 4.630 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 12 . 2871 . 1 1 7 . C C 0.614 -1.933 -0.484 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 12 . 2872 . 1 1 7 . CA C -0.583 -1.631 -1.378 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 12 . 2873 . 1 1 7 . CB C -0.208 -0.668 -2.514 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 12 . 2874 . 1 1 7 . CG C 0.430 0.637 -2.069 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 12 . 2875 . 1 1 7 . H H -1.746 -0.127 -0.445 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 12 . 2876 . 1 1 7 . HA H -0.915 -2.553 -1.816 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 12 . 2877 . 1 1 7 . HB2 H -1.103 -0.430 -3.073 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2878 . 1 1 7 . HB3 H 0.486 -1.168 -3.171 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2879 . 1 1 7 . HD1 H 2.005 -0.062 -0.866 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 12 . 2880 . 1 1 7 . HG2 H -0.122 1.027 -1.228 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2881 . 1 1 7 . HG3 H 0.381 1.334 -2.885 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2882 . 1 1 7 . N N -1.688 -1.097 -0.597 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 12 . 2883 . 1 1 7 . ND N 1.822 0.453 -1.683 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 12 . 2884 . 1 1 7 . O O 1.669 -2.353 -0.963 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 12 . 2885 . 1 1 8 SER C C 2.544 -0.903 1.795 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 12 . 2886 . 1 1 8 SER CA C 1.430 -1.939 1.858 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 12 . 2887 . 1 1 8 SER CB C 2.038 -3.343 1.749 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 12 . 2888 . 1 1 8 SER H H -0.449 -1.347 1.098 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 12 . 2889 . 1 1 8 SER HA H 0.937 -1.850 2.815 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 12 . 2890 . 1 1 8 SER HB2 H 2.347 -3.677 2.728 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2891 . 1 1 8 SER HB3 H 1.299 -4.023 1.355 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2892 . 1 1 8 SER HG H 2.881 -3.123 -0.014 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 12 . 2893 . 1 1 8 SER N N 0.421 -1.702 0.820 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 12 . 2894 . 1 1 8 SER O O 2.906 -0.414 0.725 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 12 . 2895 . 1 1 8 SER OG O 3.170 -3.346 0.887 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 12 . 2896 . 1 1 9 MET C C 5.498 -0.394 2.554 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 12 . 2897 . 1 1 9 MET CA C 4.233 0.319 3.028 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 12 . 2898 . 1 1 9 MET CB C 4.391 0.840 4.462 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 12 . 2899 . 1 1 9 MET CE C 4.071 3.927 3.754 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 12 . 2900 . 1 1 9 MET CG C 5.579 1.770 4.667 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 12 . 2901 . 1 1 9 MET H H 2.728 -0.956 3.781 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 12 . 2902 . 1 1 9 MET HA H 4.037 1.152 2.370 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 12 . 2903 . 1 1 9 MET HB2 H 3.497 1.378 4.733 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2904 . 1 1 9 MET HB3 H 4.505 -0.004 5.125 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2905 . 1 1 9 MET HE1 H 4.037 4.303 4.765 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 12 . 2906 . 1 1 9 MET HE2 H 3.270 3.219 3.605 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 12 . 2907 . 1 1 9 MET HE3 H 3.956 4.749 3.062 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 12 . 2908 . 1 1 9 MET HG2 H 5.514 2.194 5.656 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2909 . 1 1 9 MET HG3 H 6.488 1.190 4.587 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2910 . 1 1 9 MET N N 3.098 -0.582 2.950 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 12 . 2911 . 1 1 9 MET O O 6.540 0.230 2.341 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 12 . 2912 . 1 1 9 MET SD S 5.644 3.121 3.467 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 12 . 2913 . 1 1 10 THR C C 6.724 -2.317 0.375 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 12 . 2914 . 1 1 10 THR CA C 6.525 -2.482 1.876 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 12 . 2915 . 1 1 10 THR CB C 6.391 -3.976 2.235 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 12 . 2916 . 1 1 10 THR CG2 C 7.190 -4.301 3.489 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 12 . 2917 . 1 1 10 THR H H 4.533 -2.156 2.501 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 12 . 2918 . 1 1 10 THR HA H 7.402 -2.101 2.375 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 12 . 2919 . 1 1 10 THR HB H 6.784 -4.561 1.418 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 12 . 2920 . 1 1 10 THR HG1 H 4.495 -4.060 1.654 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 12 . 2921 . 1 1 10 THR HG21 H 8.234 -4.079 3.318 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 12 . 2922 . 1 1 10 THR HG22 H 7.078 -5.348 3.726 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 12 . 2923 . 1 1 10 THR HG23 H 6.826 -3.704 4.312 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 12 . 2924 . 1 1 10 THR N N 5.394 -1.705 2.348 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 12 . 2925 . 1 1 10 THR O O 7.662 -2.865 -0.198 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 12 . 2926 . 1 1 10 THR OG1 O 5.015 -4.322 2.435 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 12 . 2927 . 1 1 11 GLU C C 7.112 -0.121 -1.756 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 12 . 2928 . 1 1 11 GLU CA C 6.041 -1.202 -1.662 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 12 . 2929 . 1 1 11 GLU CB C 4.737 -0.733 -2.312 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 12 . 2930 . 1 1 11 GLU CD C 2.849 0.924 -2.353 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 12 . 2931 . 1 1 11 GLU CG C 4.200 0.583 -1.773 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 12 . 2932 . 1 1 11 GLU H H 5.028 -1.259 0.198 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 12 . 2933 . 1 1 11 GLU HA H 6.396 -2.079 -2.177 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 12 . 2934 . 1 1 11 GLU HB2 H 4.902 -0.618 -3.367 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2935 . 1 1 11 GLU HB3 H 3.983 -1.490 -2.157 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2936 . 1 1 11 GLU HG2 H 4.105 0.509 -0.701 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 12 . 2937 . 1 1 11 GLU HG3 H 4.888 1.370 -2.018 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 12 . 2938 . 1 1 11 GLU N N 5.835 -1.566 -0.269 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 12 . 2939 . 1 1 11 GLU O O 7.761 0.045 -2.791 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 12 . 2940 . 1 1 11 GLU OE1 O 2.740 1.594 -3.382 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 12 . 2941 . 1 1 12 PHE C C 9.538 1.094 0.161 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 12 . 2942 . 1 1 12 PHE CA C 8.307 1.634 -0.557 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 12 . 2943 . 1 1 12 PHE CB C 7.773 2.856 0.198 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 12 . 2944 . 1 1 12 PHE CD1 C 6.802 4.362 -1.556 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 12 . 2945 . 1 1 12 PHE CD2 C 5.318 3.348 0.009 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 12 . 2946 . 1 1 12 PHE CE1 C 5.732 4.994 -2.165 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 12 . 2947 . 1 1 12 PHE CE2 C 4.245 3.976 -0.594 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 12 . 2948 . 1 1 12 PHE CG C 6.607 3.533 -0.466 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 12 . 2949 . 1 1 12 PHE CZ C 4.453 4.800 -1.682 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 12 . 2950 . 1 1 12 PHE H H 6.714 0.423 0.117 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 12 . 2951 . 1 1 12 PHE HA H 8.583 1.930 -1.558 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 12 . 2952 . 1 1 12 PHE HB2 H 7.457 2.548 1.185 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2953 . 1 1 12 PHE HB3 H 8.568 3.581 0.293 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2954 . 1 1 12 PHE HD1 H 7.801 4.512 -1.935 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 12 . 2955 . 1 1 12 PHE HD2 H 5.154 2.704 0.860 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2956 . 1 1 12 PHE HE1 H 5.896 5.639 -3.015 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 12 . 2957 . 1 1 12 PHE HE2 H 3.247 3.821 -0.214 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 12 . 2958 . 1 1 12 PHE HZ H 3.617 5.291 -2.155 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 12 . 2959 . 1 1 12 PHE N N 7.285 0.602 -0.658 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 12 . 2960 . 1 1 12 PHE O O 10.279 1.849 0.791 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 12 . 2961 . 1 1 13 TYR C C 11.228 -2.159 0.120 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 12 . 2962 . 1 1 13 TYR CA C 10.841 -0.851 0.798 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 12 . 2963 . 1 1 13 TYR CB C 10.409 -1.111 2.249 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 12 . 2964 . 1 1 13 TYR CD1 C 12.418 -0.702 3.722 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 12 . 2965 . 1 1 13 TYR CD2 C 11.654 -2.945 3.465 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 12 . 2966 . 1 1 13 TYR CE1 C 13.425 -1.137 4.562 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 12 . 2967 . 1 1 13 TYR CE2 C 12.659 -3.386 4.303 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 12 . 2968 . 1 1 13 TYR CG C 11.517 -1.597 3.159 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 12 . 2969 . 1 1 13 TYR CZ C 13.541 -2.480 4.848 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 12 . 2970 . 1 1 13 TYR H H 9.180 -0.753 -0.507 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 12 . 2971 . 1 1 13 TYR HA H 11.690 -0.185 0.794 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 12 . 2972 . 1 1 13 TYR HB2 H 10.019 -0.196 2.666 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2973 . 1 1 13 TYR HB3 H 9.629 -1.858 2.250 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2974 . 1 1 13 TYR HD1 H 12.326 0.348 3.495 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 12 . 2975 . 1 1 13 TYR HD2 H 10.963 -3.654 3.036 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2976 . 1 1 13 TYR HE1 H 14.114 -0.426 4.989 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 12 . 2977 . 1 1 13 TYR HE2 H 12.751 -4.438 4.527 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 12 . 2978 . 1 1 13 TYR HH H 14.961 -3.698 5.295 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 12 . 2979 . 1 1 13 TYR N N 9.757 -0.210 0.069 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 12 . 2980 . 1 1 13 TYR O O 10.379 -3.028 -0.087 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 12 . 2981 . 1 1 13 TYR OH O 14.543 -2.918 5.683 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 12 . 2982 . 1 1 14 HIS C C 12.417 -3.569 -2.307 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 12 . 2983 . 1 1 14 HIS CA C 13.035 -3.457 -0.915 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 12 . 2984 . 1 1 14 HIS CB C 12.773 -4.734 -0.102 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 12 . 2985 . 1 1 14 HIS CD2 C 13.236 -6.844 -1.553 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 12 . 2986 . 1 1 14 HIS CE1 C 15.139 -7.436 -0.647 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 12 . 2987 . 1 1 14 HIS CG C 13.526 -5.939 -0.587 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 12 . 2988 . 1 1 14 HIS H H 13.125 -1.549 0.000 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 12 . 2989 . 1 1 14 HIS HA H 14.101 -3.323 -1.023 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 12 . 2990 . 1 1 14 HIS HB2 H 13.056 -4.559 0.924 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 12 . 2991 . 1 1 14 HIS HB3 H 11.719 -4.964 -0.143 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 12 . 2992 . 1 1 14 HIS HD1 H 15.201 -5.889 0.690 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 12 . 2993 . 1 1 14 HIS HD2 H 12.363 -6.842 -2.191 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 12 . 2994 . 1 1 14 HIS HE1 H 16.048 -7.973 -0.424 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 12 . 2995 . 1 1 14 HIS HE2 H 14.216 -8.642 -2.012 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 12 . 2996 . 1 1 14 HIS N N 12.507 -2.280 -0.223 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 12 . 2997 . 1 1 14 HIS ND1 N 14.724 -6.341 -0.040 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 12 . 2998 . 1 1 14 HIS NE2 N 14.255 -7.766 -1.569 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 12 . 2999 . 1 1 14 HIS O O 11.431 -4.318 -2.473 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 12 . 3000 . 1 1 14 HIS OXT O 12.905 -2.883 -3.229 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 13 . 3001 . 1 1 1 GLY C C -4.151 7.047 2.632 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 13 . 3002 . 1 1 1 GLY CA C -3.115 8.051 3.088 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 13 . 3003 . 1 1 1 GLY H1 H -1.333 8.127 4.160 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 13 . 3004 . 1 1 1 GLY H2 H -1.562 6.680 3.321 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 13 . 3005 . 1 1 1 GLY H3 H -2.432 6.982 4.742 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 13 . 3006 . 1 1 1 GLY HA2 H -3.599 8.801 3.695 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 13 . 3007 . 1 1 1 GLY HA3 H -2.681 8.528 2.223 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 13 . 3008 . 1 1 1 GLY N N -2.035 7.416 3.882 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 13 . 3009 . 1 1 1 GLY O O -4.919 6.530 3.443 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 13 . 3010 . 1 1 2 ARG C C -4.830 4.407 1.236 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 13 . 3011 . 1 1 2 ARG CA C -5.122 5.824 0.759 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 13 . 3012 . 1 1 2 ARG CB C -5.072 5.886 -0.769 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 13 . 3013 . 1 1 2 ARG CD C -5.955 5.038 -2.963 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 13 . 3014 . 1 1 2 ARG CG C -6.123 5.026 -1.453 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 13 . 3015 . 1 1 2 ARG CZ C -5.562 6.776 -4.674 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 13 . 3016 . 1 1 2 ARG H H -3.508 7.190 0.744 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 13 . 3017 . 1 1 2 ARG HA H -6.110 6.108 1.092 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 13 . 3018 . 1 1 2 ARG HB2 H -5.218 6.909 -1.082 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3019 . 1 1 2 ARG HB3 H -4.098 5.555 -1.098 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3020 . 1 1 2 ARG HD2 H -4.970 4.667 -3.206 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3021 . 1 1 2 ARG HD3 H -6.700 4.390 -3.400 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 13 . 3022 . 1 1 2 ARG HE H -6.648 7.025 -3.008 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 13 . 3023 . 1 1 2 ARG HG2 H -6.030 4.011 -1.100 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3024 . 1 1 2 ARG HG3 H -7.104 5.407 -1.205 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3025 . 1 1 2 ARG HH11 H -4.685 4.993 -5.078 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 13 . 3026 . 1 1 2 ARG HH12 H -4.428 6.232 -6.264 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 13 . 3027 . 1 1 2 ARG HH21 H -6.297 8.661 -4.556 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 13 . 3028 . 1 1 2 ARG HH22 H -5.346 8.321 -5.965 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 13 . 3029 . 1 1 2 ARG N N -4.166 6.763 1.333 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 13 . 3030 . 1 1 2 ARG NE N -6.106 6.380 -3.524 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 13 . 3031 . 1 1 2 ARG NH1 N -4.833 5.934 -5.396 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 13 . 3032 . 1 1 2 ARG NH2 N -5.749 8.018 -5.099 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 13 . 3033 . 1 1 2 ARG O O -3.779 3.836 0.926 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 13 . 3034 . 1 1 3 LYS C C -6.852 1.692 2.287 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 13 . 3035 . 1 1 3 LYS CA C -5.598 2.515 2.553 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 13 . 3036 . 1 1 3 LYS CB C -5.318 2.595 4.057 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 13 . 3037 . 1 1 3 LYS CD C -3.890 3.581 5.891 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 13 . 3038 . 1 1 3 LYS CE C -3.808 2.277 6.667 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 13 . 3039 . 1 1 3 LYS CG C -4.037 3.344 4.396 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 13 . 3040 . 1 1 3 LYS H H -6.569 4.361 2.212 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 13 . 3041 . 1 1 3 LYS HA H -4.760 2.047 2.060 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 13 . 3042 . 1 1 3 LYS HB2 H -6.143 3.098 4.539 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3043 . 1 1 3 LYS HB3 H -5.239 1.592 4.451 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3044 . 1 1 3 LYS HD2 H -2.988 4.147 6.066 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3045 . 1 1 3 LYS HD3 H -4.743 4.145 6.240 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 13 . 3046 . 1 1 3 LYS HE2 H -4.734 1.737 6.538 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 13 . 3047 . 1 1 3 LYS HE3 H -2.992 1.689 6.274 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 13 . 3048 . 1 1 3 LYS HG2 H -3.193 2.765 4.053 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3049 . 1 1 3 LYS HG3 H -4.047 4.299 3.889 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3050 . 1 1 3 LYS HZ1 H -4.365 3.057 8.524 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 13 . 3051 . 1 1 3 LYS HZ2 H -2.694 3.031 8.265 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 13 . 3052 . 1 1 3 LYS HZ3 H -3.517 1.597 8.618 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 13 . 3053 . 1 1 3 LYS N N -5.754 3.852 2.004 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 13 . 3054 . 1 1 3 LYS NZ N -3.581 2.507 8.119 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 13 . 3055 . 1 1 3 LYS O O -7.482 1.173 3.209 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 13 . 3056 . 1 1 4 ARG C C -8.062 -0.448 -0.063 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 13 . 3057 . 1 1 4 ARG CA C -8.421 0.868 0.621 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 13 . 3058 . 1 1 4 ARG CB C -9.263 1.744 -0.313 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 13 . 3059 . 1 1 4 ARG CD C -11.439 2.132 -1.498 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 13 . 3060 . 1 1 4 ARG CG C -10.627 1.163 -0.656 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 13 . 3061 . 1 1 4 ARG CZ C -13.480 2.000 -2.882 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 13 . 3062 . 1 1 4 ARG H H -6.657 2.004 0.327 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 13 . 3063 . 1 1 4 ARG HA H -8.990 0.654 1.513 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 13 . 3064 . 1 1 4 ARG HB2 H -9.417 2.703 0.155 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3065 . 1 1 4 ARG HB3 H -8.718 1.890 -1.235 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3066 . 1 1 4 ARG HD2 H -11.558 3.053 -0.948 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3067 . 1 1 4 ARG HD3 H -10.902 2.331 -2.413 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 13 . 3068 . 1 1 4 ARG HE H -13.141 0.923 -1.229 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 13 . 3069 . 1 1 4 ARG HG2 H -10.490 0.247 -1.210 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3070 . 1 1 4 ARG HG3 H -11.160 0.958 0.259 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3071 . 1 1 4 ARG HH11 H -12.091 3.307 -3.558 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 13 . 3072 . 1 1 4 ARG HH12 H -13.538 3.215 -4.508 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 13 . 3073 . 1 1 4 ARG HH21 H -15.048 0.786 -2.467 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 13 . 3074 . 1 1 4 ARG HH22 H -15.226 1.768 -3.889 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 13 . 3075 . 1 1 4 ARG N N -7.215 1.587 1.018 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 13 . 3076 . 1 1 4 ARG NE N -12.763 1.606 -1.830 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 13 . 3077 . 1 1 4 ARG NH1 N -12.998 2.913 -3.716 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 13 . 3078 . 1 1 4 ARG NH2 N -14.681 1.479 -3.096 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 13 . 3079 . 1 1 4 ARG O O -8.881 -1.363 -0.154 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 13 . 3080 . 1 1 5 ARG C C -5.266 -2.416 -0.429 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 13 . 3081 . 1 1 5 ARG CA C -6.363 -1.729 -1.229 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 13 . 3082 . 1 1 5 ARG CB C -5.838 -1.363 -2.619 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 13 . 3083 . 1 1 5 ARG CD C -6.317 -0.384 -4.885 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 13 . 3084 . 1 1 5 ARG CG C -6.893 -0.753 -3.526 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 13 . 3085 . 1 1 5 ARG CZ C -5.352 -1.524 -6.853 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 13 . 3086 . 1 1 5 ARG H H -6.207 0.209 -0.402 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 13 . 3087 . 1 1 5 ARG HA H -7.199 -2.404 -1.333 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 13 . 3088 . 1 1 5 ARG HB2 H -5.031 -0.654 -2.512 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3089 . 1 1 5 ARG HB3 H -5.459 -2.255 -3.094 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3090 . 1 1 5 ARG HD2 H -7.098 0.061 -5.482 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3091 . 1 1 5 ARG HD3 H -5.522 0.332 -4.740 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 13 . 3092 . 1 1 5 ARG HE H -5.743 -2.398 -5.092 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 13 . 3093 . 1 1 5 ARG HG2 H -7.689 -1.467 -3.667 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3094 . 1 1 5 ARG HG3 H -7.285 0.138 -3.057 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3095 . 1 1 5 ARG HH11 H -5.789 0.432 -7.158 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 13 . 3096 . 1 1 5 ARG HH12 H -5.081 -0.389 -8.512 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 13 . 3097 . 1 1 5 ARG HH21 H -4.813 -3.479 -6.880 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 13 . 3098 . 1 1 5 ARG HH22 H -4.523 -2.607 -8.353 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 13 . 3099 . 1 1 5 ARG N N -6.828 -0.540 -0.535 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 13 . 3100 . 1 1 5 ARG NE N -5.787 -1.548 -5.593 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 13 . 3101 . 1 1 5 ARG NH1 N -5.415 -0.403 -7.564 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 13 . 3102 . 1 1 5 ARG NH2 N -4.861 -2.626 -7.407 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 13 . 3103 . 1 1 5 ARG O O -4.410 -1.755 0.159 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 13 . 3104 . 1 1 6 GLN C C -3.073 -4.722 -0.630 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 13 . 3105 . 1 1 6 GLN CA C -4.279 -4.527 0.279 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 13 . 3106 . 1 1 6 GLN CB C -4.846 -5.885 0.702 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 13 . 3107 . 1 1 6 GLN CD C -6.627 -7.138 1.994 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 13 . 3108 . 1 1 6 GLN CG C -6.092 -5.784 1.566 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 13 . 3109 . 1 1 6 GLN H H -6.018 -4.211 -0.884 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 13 . 3110 . 1 1 6 GLN HA H -3.974 -3.979 1.159 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 13 . 3111 . 1 1 6 GLN HB2 H -5.093 -6.449 -0.185 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3112 . 1 1 6 GLN HB3 H -4.090 -6.418 1.258 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3113 . 1 1 6 GLN HE21 H -4.786 -7.881 2.082 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 13 . 3114 . 1 1 6 GLN HE22 H -6.063 -8.974 2.485 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 13 . 3115 . 1 1 6 GLN HG2 H -5.854 -5.214 2.451 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3116 . 1 1 6 GLN HG3 H -6.859 -5.270 1.006 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3117 . 1 1 6 GLN N N -5.296 -3.743 -0.411 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 13 . 3118 . 1 1 6 GLN NE2 N -5.737 -8.093 2.207 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 13 . 3119 . 1 1 6 GLN O O -2.740 -5.844 -1.020 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 13 . 3120 . 1 1 6 GLN OE1 O -7.835 -7.316 2.151 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 13 . 3121 . 1 1 7 . C C 0.026 -3.675 -1.186 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 13 . 3122 . 1 1 7 . CA C -1.318 -3.644 -1.912 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 13 . 3123 . 1 1 7 . CB C -1.409 -2.439 -2.855 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 13 . 3124 . 1 1 7 . CG C -1.236 -1.089 -2.179 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 13 . 3125 . 1 1 7 . H H -2.695 -2.767 -0.566 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 13 . 3126 . 1 1 7 . HA H -1.409 -4.539 -2.498 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 13 . 3127 . 1 1 7 . HB2 H -2.376 -2.453 -3.337 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3128 . 1 1 7 . HB3 H -0.643 -2.534 -3.610 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3129 . 1 1 7 . HD1 H 0.594 -1.394 -1.194 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 13 . 3130 . 1 1 7 . HG2 H -1.817 -1.075 -1.268 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3131 . 1 1 7 . HG3 H -1.599 -0.328 -2.846 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3132 . 1 1 7 . N N -2.423 -3.621 -0.968 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 13 . 3133 . 1 1 7 . ND N 0.159 -0.818 -1.859 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 13 . 3134 . 1 1 7 . O O 1.077 -3.511 -1.805 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 13 . 3135 . 1 1 8 SER C C 1.739 -2.549 1.210 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 13 . 3136 . 1 1 8 SER CA C 1.128 -3.933 1.022 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 13 . 3137 . 1 1 8 SER CB C 2.210 -4.884 0.498 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 13 . 3138 . 1 1 8 SER H H -0.927 -4.021 0.531 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 13 . 3139 . 1 1 8 SER HA H 0.789 -4.290 1.982 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 13 . 3140 . 1 1 8 SER HB2 H 2.783 -5.267 1.328 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3141 . 1 1 8 SER HB3 H 1.746 -5.704 -0.028 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3142 . 1 1 8 SER HG H 2.596 -3.950 -1.186 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 13 . 3143 . 1 1 8 SER N N -0.042 -3.886 0.133 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 13 . 3144 . 1 1 8 SER O O 1.757 -1.725 0.297 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 13 . 3145 . 1 1 8 SER OG O 3.092 -4.211 -0.392 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 13 . 3146 . 1 1 9 MET C C 4.336 -1.075 2.012 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 13 . 3147 . 1 1 9 MET CA C 2.965 -1.066 2.677 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 13 . 3148 . 1 1 9 MET CB C 3.111 -0.858 4.187 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 13 . 3149 . 1 1 9 MET CE C -0.781 0.144 5.306 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 13 . 3150 . 1 1 9 MET CG C 1.781 -0.824 4.925 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 13 . 3151 . 1 1 9 MET H H 2.193 -2.988 3.101 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 13 . 3152 . 1 1 9 MET HA H 2.382 -0.257 2.263 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 13 . 3153 . 1 1 9 MET HB2 H 3.705 -1.663 4.593 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3154 . 1 1 9 MET HB3 H 3.619 0.077 4.362 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3155 . 1 1 9 MET HE1 H -1.554 0.851 5.048 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 13 . 3156 . 1 1 9 MET HE2 H -0.542 0.237 6.356 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 13 . 3157 . 1 1 9 MET HE3 H -1.128 -0.858 5.104 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 13 . 3158 . 1 1 9 MET HG2 H 1.290 -1.776 4.798 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3159 . 1 1 9 MET HG3 H 1.975 -0.658 5.974 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3160 . 1 1 9 MET N N 2.271 -2.310 2.395 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 13 . 3161 . 1 1 9 MET O O 5.018 -0.051 1.950 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 13 . 3162 . 1 1 9 MET SD S 0.683 0.476 4.327 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 13 . 3163 . 1 1 10 THR C C 5.973 -1.814 -0.584 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 13 . 3164 . 1 1 10 THR CA C 6.013 -2.370 0.834 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 13 . 3165 . 1 1 10 THR CB C 6.513 -3.832 0.827 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 13 . 3166 . 1 1 10 THR CG2 C 7.164 -4.185 2.154 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 13 . 3167 . 1 1 10 THR H H 4.114 -3.009 1.504 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 13 . 3168 . 1 1 10 THR HA H 6.717 -1.782 1.406 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 13 . 3169 . 1 1 10 THR HB H 7.252 -3.937 0.046 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 13 . 3170 . 1 1 10 THR HG1 H 4.769 -4.310 0.010 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 13 . 3171 . 1 1 10 THR HG21 H 8.024 -3.553 2.312 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 13 . 3172 . 1 1 10 THR HG22 H 7.474 -5.219 2.138 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 13 . 3173 . 1 1 10 THR HG23 H 6.457 -4.033 2.955 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 13 . 3174 . 1 1 10 THR N N 4.723 -2.235 1.480 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 13 . 3175 . 1 1 10 THR O O 6.992 -1.776 -1.271 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 13 . 3176 . 1 1 10 THR OG1 O 5.435 -4.740 0.568 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 13 . 3177 . 1 1 11 GLU C C 5.245 0.711 -2.195 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 13 . 3178 . 1 1 11 GLU CA C 4.679 -0.698 -2.309 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 13 . 3179 . 1 1 11 GLU CB C 3.227 -0.654 -2.786 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 13 . 3180 . 1 1 11 GLU CD C 0.874 0.140 -2.403 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 13 . 3181 . 1 1 11 GLU CG C 2.309 0.209 -1.934 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 13 . 3182 . 1 1 11 GLU H H 3.982 -1.533 -0.487 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 13 . 3183 . 1 1 11 GLU HA H 5.270 -1.247 -3.024 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 13 . 3184 . 1 1 11 GLU HB2 H 3.207 -0.271 -3.790 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3185 . 1 1 11 GLU HB3 H 2.834 -1.661 -2.790 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3186 . 1 1 11 GLU HG2 H 2.354 -0.138 -0.913 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 13 . 3187 . 1 1 11 GLU HG3 H 2.637 1.229 -1.981 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 13 . 3188 . 1 1 11 GLU N N 4.792 -1.380 -1.026 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 13 . 3189 . 1 1 11 GLU O O 5.602 1.342 -3.192 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 13 . 3190 . 1 1 11 GLU OE1 O 0.430 0.934 -3.233 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 13 . 3191 . 1 1 12 PHE C C 7.379 2.301 -0.318 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 13 . 3192 . 1 1 12 PHE CA C 5.910 2.488 -0.674 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 13 . 3193 . 1 1 12 PHE CB C 5.176 3.176 0.479 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 13 . 3194 . 1 1 12 PHE CD1 C 3.121 4.046 -0.672 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 13 . 3195 . 1 1 12 PHE CD2 C 2.849 2.480 1.105 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 13 . 3196 . 1 1 12 PHE CE1 C 1.751 4.103 -0.836 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 13 . 3197 . 1 1 12 PHE CE2 C 1.478 2.533 0.945 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 13 . 3198 . 1 1 12 PHE CG C 3.684 3.235 0.299 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 13 . 3199 . 1 1 12 PHE CZ C 0.928 3.344 -0.026 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 13 . 3200 . 1 1 12 PHE H H 4.948 0.662 -0.226 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 13 . 3201 . 1 1 12 PHE HA H 5.837 3.099 -1.561 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 13 . 3202 . 1 1 12 PHE HB2 H 5.378 2.641 1.395 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3203 . 1 1 12 PHE HB3 H 5.540 4.190 0.572 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3204 . 1 1 12 PHE HD1 H 3.763 4.638 -1.307 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 13 . 3205 . 1 1 12 PHE HD2 H 3.278 1.844 1.864 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3206 . 1 1 12 PHE HE1 H 1.322 4.739 -1.597 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 13 . 3207 . 1 1 12 PHE HE2 H 0.837 1.938 1.580 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 13 . 3208 . 1 1 12 PHE HZ H -0.144 3.387 -0.151 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 13 . 3209 . 1 1 12 PHE N N 5.311 1.195 -0.964 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 13 . 3210 . 1 1 12 PHE O O 8.159 3.254 -0.299 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 13 . 3211 . 1 1 13 TYR C C 9.512 1.289 1.659 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 13 . 3212 . 1 1 13 TYR CA C 9.093 0.657 0.335 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 13 . 3213 . 1 1 13 TYR CB C 10.087 1.014 -0.776 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 13 . 3214 . 1 1 13 TYR CD1 C 9.027 0.657 -3.044 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 13 . 3215 . 1 1 13 TYR CD2 C 10.541 -0.996 -2.234 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 13 . 3216 . 1 1 13 TYR CE1 C 8.834 -0.079 -4.197 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 13 . 3217 . 1 1 13 TYR CE2 C 10.355 -1.736 -3.385 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 13 . 3218 . 1 1 13 TYR CG C 9.883 0.212 -2.044 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 13 . 3219 . 1 1 13 TYR CZ C 9.501 -1.275 -4.362 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 13 . 3220 . 1 1 13 TYR H H 7.045 0.349 -0.083 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 13 . 3221 . 1 1 13 TYR HA H 9.094 -0.415 0.462 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 13 . 3222 . 1 1 13 TYR HB2 H 9.980 2.059 -1.023 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3223 . 1 1 13 TYR HB3 H 11.089 0.832 -0.424 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3224 . 1 1 13 TYR HD1 H 8.507 1.594 -2.913 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 13 . 3225 . 1 1 13 TYR HD2 H 11.210 -1.356 -1.466 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3226 . 1 1 13 TYR HE1 H 8.164 0.283 -4.963 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 13 . 3227 . 1 1 13 TYR HE2 H 10.879 -2.670 -3.514 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 13 . 3228 . 1 1 13 TYR HH H 9.285 -1.423 -6.275 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 13 . 3229 . 1 1 13 TYR N N 7.731 1.045 -0.033 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 13 . 3230 . 1 1 13 TYR O O 10.699 1.425 1.950 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 13 . 3231 . 1 1 13 TYR OH O 9.309 -2.016 -5.510 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 13 . 3232 . 1 1 14 HIS C C 8.896 1.134 4.807 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 13 . 3233 . 1 1 14 HIS CA C 8.779 2.243 3.768 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 13 . 3234 . 1 1 14 HIS CB C 7.664 3.221 4.149 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 13 . 3235 . 1 1 14 HIS CD2 C 8.877 4.875 5.739 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 13 . 3236 . 1 1 14 HIS CE1 C 7.615 4.605 7.510 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 13 . 3237 . 1 1 14 HIS CG C 7.925 3.966 5.425 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 13 . 3238 . 1 1 14 HIS H H 7.600 1.544 2.164 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 13 . 3239 . 1 1 14 HIS HA H 9.717 2.775 3.721 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 13 . 3240 . 1 1 14 HIS HB2 H 7.548 3.947 3.360 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 13 . 3241 . 1 1 14 HIS HB3 H 6.739 2.675 4.265 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 13 . 3242 . 1 1 14 HIS HD1 H 6.378 3.219 6.651 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 13 . 3243 . 1 1 14 HIS HD2 H 9.660 5.236 5.086 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 13 . 3244 . 1 1 14 HIS HE1 H 7.207 4.700 8.506 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 13 . 3245 . 1 1 14 HIS HE2 H 9.191 5.916 7.536 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 13 . 3246 . 1 1 14 HIS N N 8.524 1.667 2.459 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 13 . 3247 . 1 1 14 HIS ND1 N 7.152 3.818 6.557 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 13 . 3248 . 1 1 14 HIS NE2 N 8.661 5.254 7.038 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 13 . 3249 . 1 1 14 HIS O O 7.863 0.769 5.408 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 13 . 3250 . 1 1 14 HIS OXT O 10.015 0.616 5.003 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 14 . 3251 . 1 1 1 GLY C C -8.941 6.913 2.976 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 14 . 3252 . 1 1 1 GLY CA C -9.933 7.869 3.609 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 14 . 3253 . 1 1 1 GLY H1 H -11.916 7.926 4.251 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 14 . 3254 . 1 1 1 GLY H2 H -11.172 6.423 4.453 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 14 . 3255 . 1 1 1 GLY H3 H -11.652 6.923 2.914 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 14 . 3256 . 1 1 1 GLY HA2 H -10.050 8.726 2.964 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 14 . 3257 . 1 1 1 GLY HA3 H -9.544 8.198 4.560 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 14 . 3258 . 1 1 1 GLY N N -11.260 7.243 3.822 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 14 . 3259 . 1 1 1 GLY O O -8.397 7.187 1.905 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 14 . 3260 . 1 1 2 ARG C C -8.445 3.903 2.087 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 14 . 3261 . 1 1 2 ARG CA C -7.775 4.784 3.135 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 14 . 3262 . 1 1 2 ARG CB C -7.253 3.929 4.291 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 14 . 3263 . 1 1 2 ARG CD C -5.995 3.844 6.458 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 14 . 3264 . 1 1 2 ARG CG C -6.346 4.685 5.247 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 14 . 3265 . 1 1 2 ARG CZ C -4.875 4.361 8.595 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 14 . 3266 . 1 1 2 ARG H H -9.174 5.620 4.480 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 14 . 3267 . 1 1 2 ARG HA H -6.944 5.301 2.677 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 14 . 3268 . 1 1 2 ARG HB2 H -8.095 3.552 4.852 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3269 . 1 1 2 ARG HB3 H -6.699 3.096 3.886 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3270 . 1 1 2 ARG HD2 H -6.878 3.727 7.065 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3271 . 1 1 2 ARG HD3 H -5.660 2.872 6.122 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 14 . 3272 . 1 1 2 ARG HE H -4.235 4.948 6.788 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 14 . 3273 . 1 1 2 ARG HG2 H -5.437 4.950 4.732 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3274 . 1 1 2 ARG HG3 H -6.851 5.582 5.577 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3275 . 1 1 2 ARG HH11 H -6.620 3.344 8.796 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 14 . 3276 . 1 1 2 ARG HH12 H -5.780 3.678 10.278 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 14 . 3277 . 1 1 2 ARG HH21 H -3.121 5.368 8.733 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 14 . 3278 . 1 1 2 ARG HH22 H -3.789 4.825 10.241 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 14 . 3279 . 1 1 2 ARG N N -8.706 5.787 3.634 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 14 . 3280 . 1 1 2 ARG NE N -4.943 4.453 7.267 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 14 . 3281 . 1 1 2 ARG NH1 N -5.834 3.743 9.276 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 14 . 3282 . 1 1 2 ARG NH2 N -3.848 4.894 9.242 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 14 . 3283 . 1 1 2 ARG O O -8.983 2.842 2.403 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 14 . 3284 . 1 1 3 LYS C C -8.236 2.389 -0.619 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 14 . 3285 . 1 1 3 LYS CA C -9.040 3.630 -0.254 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 14 . 3286 . 1 1 3 LYS CB C -9.175 4.538 -1.475 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 14 . 3287 . 1 1 3 LYS CD C -10.026 6.687 -2.441 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 14 . 3288 . 1 1 3 LYS CE C -10.884 7.919 -2.213 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 14 . 3289 . 1 1 3 LYS CG C -10.019 5.775 -1.227 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 14 . 3290 . 1 1 3 LYS H H -7.944 5.195 0.652 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 14 . 3291 . 1 1 3 LYS HA H -10.025 3.327 0.069 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 14 . 3292 . 1 1 3 LYS HB2 H -8.190 4.857 -1.780 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3293 . 1 1 3 LYS HB3 H -9.627 3.975 -2.279 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3294 . 1 1 3 LYS HD2 H -9.014 7.000 -2.649 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3295 . 1 1 3 LYS HD3 H -10.415 6.140 -3.286 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 14 . 3296 . 1 1 3 LYS HE2 H -10.532 8.430 -1.330 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 14 . 3297 . 1 1 3 LYS HE3 H -10.789 8.572 -3.067 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 14 . 3298 . 1 1 3 LYS HG2 H -11.033 5.470 -1.012 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3299 . 1 1 3 LYS HG3 H -9.615 6.313 -0.382 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3300 . 1 1 3 LYS HZ1 H -12.889 8.433 -1.948 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 14 . 3301 . 1 1 3 LYS HZ2 H -12.442 7.004 -1.163 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 14 . 3302 . 1 1 3 LYS HZ3 H -12.658 7.016 -2.841 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 14 . 3303 . 1 1 3 LYS N N -8.411 4.352 0.841 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 14 . 3304 . 1 1 3 LYS NZ N -12.317 7.569 -2.028 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 14 . 3305 . 1 1 3 LYS O O -8.797 1.312 -0.827 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 14 . 3306 . 1 1 4 ARG C C -4.814 1.404 -0.164 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 14 . 3307 . 1 1 4 ARG CA C -6.050 1.439 -1.058 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 14 . 3308 . 1 1 4 ARG CB C -5.633 1.554 -2.530 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 14 . 3309 . 1 1 4 ARG CD C -5.599 -0.888 -3.170 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 14 . 3310 . 1 1 4 ARG CG C -4.784 0.388 -3.023 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 14 . 3311 . 1 1 4 ARG CZ C -7.228 -1.843 -4.765 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 14 . 3312 . 1 1 4 ARG H H -6.529 3.420 -0.479 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 14 . 3313 . 1 1 4 ARG HA H -6.603 0.522 -0.922 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 14 . 3314 . 1 1 4 ARG HB2 H -6.523 1.603 -3.140 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3315 . 1 1 4 ARG HB3 H -5.067 2.464 -2.662 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3316 . 1 1 4 ARG HD2 H -4.924 -1.711 -3.355 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3317 . 1 1 4 ARG HD3 H -6.138 -1.065 -2.251 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 14 . 3318 . 1 1 4 ARG HE H -6.693 0.086 -4.679 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 14 . 3319 . 1 1 4 ARG HG2 H -4.364 0.645 -3.982 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3320 . 1 1 4 ARG HG3 H -3.987 0.215 -2.315 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3321 . 1 1 4 ARG HH11 H -6.425 -3.198 -3.486 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 14 . 3322 . 1 1 4 ARG HH12 H -7.567 -3.837 -4.619 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 14 . 3323 . 1 1 4 ARG HH21 H -8.203 -0.759 -6.175 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 14 . 3324 . 1 1 4 ARG HH22 H -8.577 -2.452 -6.150 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 14 . 3325 . 1 1 4 ARG N N -6.923 2.542 -0.689 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 14 . 3326 . 1 1 4 ARG NE N -6.554 -0.802 -4.274 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 14 . 3327 . 1 1 4 ARG NH1 N -7.060 -3.057 -4.250 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 14 . 3328 . 1 1 4 ARG NH2 N -8.071 -1.670 -5.777 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 14 . 3329 . 1 1 4 ARG O O -3.753 1.913 -0.528 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 14 . 3330 . 1 1 5 ARG C C -3.442 -0.843 1.942 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 14 . 3331 . 1 1 5 ARG CA C -3.831 0.630 1.913 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 14 . 3332 . 1 1 5 ARG CB C -4.162 1.122 3.326 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 14 . 3333 . 1 1 5 ARG CD C -3.400 1.392 5.715 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 14 . 3334 . 1 1 5 ARG CG C -3.008 0.969 4.308 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 14 . 3335 . 1 1 5 ARG CZ C -4.828 0.501 7.528 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 14 . 3336 . 1 1 5 ARG H H -5.852 0.517 1.291 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 14 . 3337 . 1 1 5 ARG HA H -3.000 1.202 1.526 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 14 . 3338 . 1 1 5 ARG HB2 H -4.431 2.166 3.277 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3339 . 1 1 5 ARG HB3 H -5.005 0.560 3.701 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3340 . 1 1 5 ARG HD2 H -2.549 1.259 6.366 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3341 . 1 1 5 ARG HD3 H -3.680 2.435 5.699 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 14 . 3342 . 1 1 5 ARG HE H -5.079 0.133 5.574 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 14 . 3343 . 1 1 5 ARG HG2 H -2.703 -0.067 4.330 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3344 . 1 1 5 ARG HG3 H -2.182 1.579 3.975 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3345 . 1 1 5 ARG HH11 H -3.262 1.614 8.175 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 14 . 3346 . 1 1 5 ARG HH12 H -4.298 0.998 9.423 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 14 . 3347 . 1 1 5 ARG HH21 H -6.459 -0.660 7.207 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 14 . 3348 . 1 1 5 ARG HH22 H -6.126 -0.293 8.869 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 14 . 3349 . 1 1 5 ARG N N -4.961 0.824 1.016 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 14 . 3350 . 1 1 5 ARG NE N -4.520 0.607 6.235 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 14 . 3351 . 1 1 5 ARG NH1 N -4.071 1.087 8.449 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 14 . 3352 . 1 1 5 ARG NH2 N -5.888 -0.207 7.898 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 14 . 3353 . 1 1 5 ARG O O -2.273 -1.189 2.131 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 14 . 3354 . 1 1 6 GLN C C -3.637 -3.562 0.364 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 14 . 3355 . 1 1 6 GLN CA C -4.193 -3.142 1.721 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 14 . 3356 . 1 1 6 GLN CB C -5.482 -3.908 2.038 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 14 . 3357 . 1 1 6 GLN CD C -4.270 -5.759 3.272 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 14 . 3358 . 1 1 6 GLN CG C -5.282 -5.410 2.196 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 14 . 3359 . 1 1 6 GLN H H -5.340 -1.373 1.601 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 14 . 3360 . 1 1 6 GLN HA H -3.457 -3.364 2.479 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 14 . 3361 . 1 1 6 GLN HB2 H -5.896 -3.524 2.959 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3362 . 1 1 6 GLN HB3 H -6.191 -3.743 1.240 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3363 . 1 1 6 GLN HE21 H -5.705 -5.814 4.642 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 14 . 3364 . 1 1 6 GLN HE22 H -4.105 -6.152 5.207 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 14 . 3365 . 1 1 6 GLN HG2 H -6.229 -5.860 2.456 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3366 . 1 1 6 GLN HG3 H -4.939 -5.814 1.254 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3367 . 1 1 6 GLN N N -4.428 -1.708 1.739 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 14 . 3368 . 1 1 6 GLN NE2 N -4.739 -5.924 4.496 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 14 . 3369 . 1 1 6 GLN O O -4.362 -4.046 -0.505 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 14 . 3370 . 1 1 6 GLN OE1 O -3.074 -5.881 3.005 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 14 . 3371 . 1 1 7 . C C -0.276 -4.250 -0.650 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 14 . 3372 . 1 1 7 . CA C -1.648 -3.714 -1.024 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 14 . 3373 . 1 1 7 . CB C -1.555 -2.521 -1.985 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 14 . 3374 . 1 1 7 . CG C -1.122 -1.223 -1.323 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 14 . 3375 . 1 1 7 . H H -1.846 -2.891 0.905 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 14 . 3376 . 1 1 7 . HA H -2.208 -4.497 -1.497 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 14 . 3377 . 1 1 7 . HB2 H -2.526 -2.361 -2.433 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3378 . 1 1 7 . HB3 H -0.847 -2.752 -2.765 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3379 . 1 1 7 . HD1 H 0.756 -1.927 -0.672 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 14 . 3380 . 1 1 7 . HG2 H -1.637 -1.134 -0.377 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3381 . 1 1 7 . HG3 H -1.409 -0.407 -1.960 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3382 . 1 1 7 . N N -2.350 -3.333 0.187 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 14 . 3383 . 1 1 7 . ND N 0.318 -1.152 -1.084 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 14 . 3384 . 1 1 7 . O O -0.029 -4.503 0.528 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 14 . 3385 . 1 1 8 SER C C 2.581 -4.150 -0.209 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 14 . 3386 . 1 1 8 SER CA C 1.960 -4.900 -1.381 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 14 . 3387 . 1 1 8 SER CB C 2.824 -4.689 -2.626 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 14 . 3388 . 1 1 8 SER H H 0.314 -4.286 -2.562 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 14 . 3389 . 1 1 8 SER HA H 1.925 -5.953 -1.149 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 14 . 3390 . 1 1 8 SER HB2 H 2.508 -5.370 -3.400 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3391 . 1 1 8 SER HB3 H 2.710 -3.673 -2.974 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3392 . 1 1 8 SER HG H 4.481 -5.722 -2.812 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 14 . 3393 . 1 1 8 SER N N 0.596 -4.443 -1.635 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 14 . 3394 . 1 1 8 SER O O 2.510 -2.927 -0.132 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 14 . 3395 . 1 1 8 SER OG O 4.194 -4.925 -2.343 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 14 . 3396 . 1 1 9 MET C C 5.124 -3.578 1.314 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 14 . 3397 . 1 1 9 MET CA C 3.881 -4.286 1.827 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 14 . 3398 . 1 1 9 MET CB C 4.266 -5.344 2.862 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 14 . 3399 . 1 1 9 MET CE C 6.066 -5.013 6.606 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 14 . 3400 . 1 1 9 MET CG C 4.930 -4.768 4.100 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 14 . 3401 . 1 1 9 MET H H 3.137 -5.869 0.640 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 14 . 3402 . 1 1 9 MET HA H 3.224 -3.561 2.284 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 14 . 3403 . 1 1 9 MET HB2 H 3.377 -5.873 3.169 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3404 . 1 1 9 MET HB3 H 4.951 -6.044 2.406 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3405 . 1 1 9 MET HE1 H 6.905 -4.442 6.236 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 14 . 3406 . 1 1 9 MET HE2 H 6.393 -5.642 7.422 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 14 . 3407 . 1 1 9 MET HE3 H 5.299 -4.339 6.955 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 14 . 3408 . 1 1 9 MET HG2 H 5.813 -4.225 3.797 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3409 . 1 1 9 MET HG3 H 4.240 -4.090 4.579 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3410 . 1 1 9 MET N N 3.175 -4.891 0.711 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 14 . 3411 . 1 1 9 MET O O 5.558 -2.572 1.871 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 14 . 3412 . 1 1 9 MET SD S 5.410 -6.034 5.289 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 14 . 3413 . 1 1 10 THR C C 6.552 -2.280 -1.192 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 14 . 3414 . 1 1 10 THR CA C 6.877 -3.513 -0.356 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 14 . 3415 . 1 1 10 THR CB C 7.667 -4.536 -1.198 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 14 . 3416 . 1 1 10 THR CG2 C 8.405 -5.515 -0.301 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 14 . 3417 . 1 1 10 THR H H 5.269 -4.881 -0.207 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 14 . 3418 . 1 1 10 THR HA H 7.510 -3.202 0.464 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 14 . 3419 . 1 1 10 THR HB H 8.395 -4.002 -1.794 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 14 . 3420 . 1 1 10 THR HG1 H 5.920 -4.826 -2.083 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 14 . 3421 . 1 1 10 THR HG21 H 9.093 -4.977 0.332 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 14 . 3422 . 1 1 10 THR HG22 H 8.951 -6.220 -0.910 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 14 . 3423 . 1 1 10 THR HG23 H 7.693 -6.048 0.313 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 14 . 3424 . 1 1 10 THR N N 5.681 -4.094 0.223 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 14 . 3425 . 1 1 10 THR O O 7.447 -1.654 -1.754 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 14 . 3426 . 1 1 10 THR OG1 O 6.788 -5.255 -2.073 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 14 . 3427 . 1 1 11 GLU C C 5.280 0.492 -1.052 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 14 . 3428 . 1 1 11 GLU CA C 4.883 -0.686 -1.936 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 14 . 3429 . 1 1 11 GLU CB C 3.376 -0.643 -2.231 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 14 . 3430 . 1 1 11 GLU CD C 1.055 -0.093 -1.372 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 14 . 3431 . 1 1 11 GLU CG C 2.528 -0.199 -1.049 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 14 . 3432 . 1 1 11 GLU H H 4.576 -2.504 -0.889 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 14 . 3433 . 1 1 11 GLU HA H 5.431 -0.623 -2.861 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 14 . 3434 . 1 1 11 GLU HB2 H 3.204 0.037 -3.045 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3435 . 1 1 11 GLU HB3 H 3.052 -1.630 -2.525 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3436 . 1 1 11 GLU HG2 H 2.650 -0.915 -0.251 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 14 . 3437 . 1 1 11 GLU HG3 H 2.874 0.761 -0.716 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 14 . 3438 . 1 1 11 GLU N N 5.268 -1.926 -1.275 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 14 . 3439 . 1 1 11 GLU O O 5.520 1.599 -1.531 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 14 . 3440 . 1 1 11 GLU OE1 O 0.581 0.949 -1.830 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 14 . 3441 . 1 1 12 PHE C C 7.265 1.178 1.420 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 14 . 3442 . 1 1 12 PHE CA C 5.755 1.225 1.222 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 14 . 3443 . 1 1 12 PHE CB C 5.039 0.980 2.556 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 14 . 3444 . 1 1 12 PHE CD1 C 2.797 2.053 2.196 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 14 . 3445 . 1 1 12 PHE CD2 C 2.877 -0.299 2.585 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 14 . 3446 . 1 1 12 PHE CE1 C 1.420 1.992 2.095 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 14 . 3447 . 1 1 12 PHE CE2 C 1.500 -0.366 2.484 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 14 . 3448 . 1 1 12 PHE CG C 3.540 0.910 2.441 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 14 . 3449 . 1 1 12 PHE CZ C 0.770 0.781 2.239 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 14 . 3450 . 1 1 12 PHE H H 5.169 -0.689 0.551 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 14 . 3451 . 1 1 12 PHE HA H 5.478 2.196 0.838 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 14 . 3452 . 1 1 12 PHE HB2 H 5.383 0.045 2.973 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3453 . 1 1 12 PHE HB3 H 5.283 1.782 3.238 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3454 . 1 1 12 PHE HD1 H 3.303 3.000 2.082 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 14 . 3455 . 1 1 12 PHE HD2 H 3.445 -1.195 2.778 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3456 . 1 1 12 PHE HE1 H 0.853 2.891 1.905 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 14 . 3457 . 1 1 12 PHE HE2 H 0.995 -1.312 2.596 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 14 . 3458 . 1 1 12 PHE HZ H -0.305 0.733 2.161 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 14 . 3459 . 1 1 12 PHE N N 5.364 0.223 0.244 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 14 . 3460 . 1 1 12 PHE O O 7.759 1.128 2.546 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 14 . 3461 . 1 1 13 TYR C C 10.097 2.362 0.713 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 14 . 3462 . 1 1 13 TYR CA C 9.436 1.043 0.327 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 14 . 3463 . 1 1 13 TYR CB C 9.915 0.584 -1.054 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 14 . 3464 . 1 1 13 TYR CD1 C 12.354 0.695 -1.700 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 14 . 3465 . 1 1 13 TYR CD2 C 11.596 -1.198 -0.468 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 14 . 3466 . 1 1 13 TYR CE1 C 13.632 0.171 -1.724 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 14 . 3467 . 1 1 13 TYR CE2 C 12.869 -1.726 -0.486 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 14 . 3468 . 1 1 13 TYR CG C 11.316 0.019 -1.073 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 14 . 3469 . 1 1 13 TYR CZ C 13.884 -1.039 -1.116 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 14 . 3470 . 1 1 13 TYR H H 7.533 1.301 -0.549 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 14 . 3471 . 1 1 13 TYR HA H 9.690 0.292 1.060 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 14 . 3472 . 1 1 13 TYR HB2 H 9.248 -0.183 -1.419 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3473 . 1 1 13 TYR HB3 H 9.888 1.425 -1.731 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3474 . 1 1 13 TYR HD1 H 12.152 1.642 -2.176 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 14 . 3475 . 1 1 13 TYR HD2 H 10.800 -1.735 0.024 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3476 . 1 1 13 TYR HE1 H 14.426 0.711 -2.217 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 14 . 3477 . 1 1 13 TYR HE2 H 13.064 -2.673 -0.010 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 14 . 3478 . 1 1 13 TYR HH H 15.798 -0.850 -1.037 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 14 . 3479 . 1 1 13 TYR N N 7.989 1.188 0.311 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 14 . 3480 . 1 1 13 TYR O O 10.393 3.194 -0.145 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 14 . 3481 . 1 1 13 TYR OH O 15.157 -1.566 -1.134 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 14 . 3482 . 1 1 14 HIS C C 12.406 3.748 2.378 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 14 . 3483 . 1 1 14 HIS CA C 10.895 3.786 2.516 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 14 . 3484 . 1 1 14 HIS CB C 10.519 4.010 3.985 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 14 . 3485 . 1 1 14 HIS CD2 C 8.292 5.328 4.180 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 14 . 3486 . 1 1 14 HIS CE1 C 6.979 3.652 4.685 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 14 . 3487 . 1 1 14 HIS CG C 9.054 4.208 4.217 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 14 . 3488 . 1 1 14 HIS H H 10.068 1.840 2.640 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 14 . 3489 . 1 1 14 HIS HA H 10.512 4.603 1.926 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 14 . 3490 . 1 1 14 HIS HB2 H 10.833 3.155 4.562 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 14 . 3491 . 1 1 14 HIS HB3 H 11.035 4.888 4.348 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 14 . 3492 . 1 1 14 HIS HD1 H 8.453 2.233 4.634 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 14 . 3493 . 1 1 14 HIS HD2 H 8.634 6.329 3.962 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 14 . 3494 . 1 1 14 HIS HE1 H 6.106 3.072 4.942 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 14 . 3495 . 1 1 14 HIS HE2 H 6.208 5.516 4.342 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 14 . 3496 . 1 1 14 HIS N N 10.308 2.553 2.008 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 14 . 3497 . 1 1 14 HIS ND1 N 8.200 3.179 4.538 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 14 . 3498 . 1 1 14 HIS NE2 N 7.005 4.953 4.473 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 14 . 3499 . 1 1 14 HIS O O 13.046 2.963 3.105 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 14 . 3500 . 1 1 14 HIS OXT O 12.949 4.503 1.549 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 15 . 3501 . 1 1 1 GLY C C -9.180 5.102 -1.904 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 15 . 3502 . 1 1 1 GLY CA C -9.204 4.385 -3.238 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 15 . 3503 . 1 1 1 GLY H1 H -7.681 3.017 -2.853 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 15 . 3504 . 1 1 1 GLY H2 H -7.143 4.464 -3.538 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 15 . 3505 . 1 1 1 GLY H3 H -7.932 3.319 -4.496 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 15 . 3506 . 1 1 1 GLY HA2 H -9.445 5.097 -4.014 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 15 . 3507 . 1 1 1 GLY HA3 H -9.968 3.623 -3.215 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 15 . 3508 . 1 1 1 GLY N N -7.900 3.752 -3.554 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 15 . 3509 . 1 1 1 GLY O O -8.111 5.465 -1.411 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 15 . 3510 . 1 1 2 ARG C C -10.108 5.182 1.140 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 15 . 3511 . 1 1 2 ARG CA C -10.467 6.045 -0.066 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 15 . 3512 . 1 1 2 ARG CB C -11.881 6.614 0.089 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 15 . 3513 . 1 1 2 ARG CD C -14.344 6.181 0.315 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 15 . 3514 . 1 1 2 ARG CG C -12.970 5.554 0.160 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 15 . 3515 . 1 1 2 ARG CZ C -15.505 7.717 1.861 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 15 . 3516 . 1 1 2 ARG H H -11.164 4.914 -1.720 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 15 . 3517 . 1 1 2 ARG HA H -9.769 6.866 -0.117 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 15 . 3518 . 1 1 2 ARG HB2 H -11.923 7.200 0.996 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3519 . 1 1 2 ARG HB3 H -12.092 7.259 -0.752 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3520 . 1 1 2 ARG HD2 H -14.539 6.808 -0.540 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3521 . 1 1 2 ARG HD3 H -15.084 5.394 0.359 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 15 . 3522 . 1 1 2 ARG HE H -13.659 6.987 2.130 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 15 . 3523 . 1 1 2 ARG HG2 H -12.952 4.969 -0.747 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3524 . 1 1 2 ARG HG3 H -12.779 4.914 1.008 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3525 . 1 1 2 ARG HH11 H -16.586 7.203 0.223 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 15 . 3526 . 1 1 2 ARG HH12 H -17.381 8.281 1.324 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 15 . 3527 . 1 1 2 ARG HH21 H -14.695 8.414 3.582 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 15 . 3528 . 1 1 2 ARG HH22 H -16.304 8.971 3.240 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 15 . 3529 . 1 1 2 ARG N N -10.353 5.293 -1.311 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 15 . 3530 . 1 1 2 ARG NE N -14.439 6.990 1.528 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 15 . 3531 . 1 1 2 ARG NH1 N -16.576 7.736 1.074 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 15 . 3532 . 1 1 2 ARG NH2 N -15.500 8.424 2.983 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 15 . 3533 . 1 1 2 ARG O O -9.563 5.677 2.125 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 15 . 3534 . 1 1 3 LYS C C -9.242 1.830 1.617 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 15 . 3535 . 1 1 3 LYS CA C -10.100 2.973 2.143 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 15 . 3536 . 1 1 3 LYS CB C -11.390 2.445 2.786 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 15 . 3537 . 1 1 3 LYS CD C -13.672 1.436 2.458 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 15 . 3538 . 1 1 3 LYS CE C -14.594 0.721 1.485 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 15 . 3539 . 1 1 3 LYS CG C -12.349 1.791 1.802 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 15 . 3540 . 1 1 3 LYS H H -10.848 3.553 0.252 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 15 . 3541 . 1 1 3 LYS HA H -9.535 3.517 2.884 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 15 . 3542 . 1 1 3 LYS HB2 H -11.129 1.714 3.537 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3543 . 1 1 3 LYS HB3 H -11.904 3.266 3.263 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3544 . 1 1 3 LYS HD2 H -13.482 0.790 3.302 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3545 . 1 1 3 LYS HD3 H -14.152 2.343 2.794 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 15 . 3546 . 1 1 3 LYS HE2 H -14.668 1.308 0.582 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 15 . 3547 . 1 1 3 LYS HE3 H -14.172 -0.246 1.252 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 15 . 3548 . 1 1 3 LYS HG2 H -12.538 2.479 0.991 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3549 . 1 1 3 LYS HG3 H -11.894 0.891 1.415 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3550 . 1 1 3 LYS HZ1 H -16.526 -0.065 1.424 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 15 . 3551 . 1 1 3 LYS HZ2 H -16.424 1.454 2.160 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 15 . 3552 . 1 1 3 LYS HZ3 H -15.891 0.079 2.984 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 15 . 3553 . 1 1 3 LYS N N -10.410 3.895 1.062 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 15 . 3554 . 1 1 3 LYS NZ N -15.952 0.532 2.052 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 15 . 3555 . 1 1 3 LYS O O -9.635 1.122 0.688 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 15 . 3556 . 1 1 4 ARG C C -6.198 0.171 2.795 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 15 . 3557 . 1 1 4 ARG CA C -7.123 0.672 1.694 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 15 . 3558 . 1 1 4 ARG CB C -6.301 1.257 0.539 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 15 . 3559 . 1 1 4 ARG CD C -4.972 3.194 -0.356 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 15 . 3560 . 1 1 4 ARG CG C -5.764 2.651 0.820 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 15 . 3561 . 1 1 4 ARG CZ C -3.382 5.068 -0.580 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 15 . 3562 . 1 1 4 ARG H H -7.820 2.208 2.970 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 15 . 3563 . 1 1 4 ARG HA H -7.696 -0.163 1.320 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 15 . 3564 . 1 1 4 ARG HB2 H -5.463 0.605 0.343 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3565 . 1 1 4 ARG HB3 H -6.921 1.304 -0.342 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3566 . 1 1 4 ARG HD2 H -4.105 2.571 -0.506 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3567 . 1 1 4 ARG HD3 H -5.595 3.163 -1.238 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 15 . 3568 . 1 1 4 ARG HE H -5.136 5.156 0.382 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 15 . 3569 . 1 1 4 ARG HG2 H -6.594 3.312 1.017 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3570 . 1 1 4 ARG HG3 H -5.122 2.611 1.688 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3571 . 1 1 4 ARG HH11 H -2.785 3.354 -1.490 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 15 . 3572 . 1 1 4 ARG HH12 H -1.686 4.688 -1.623 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 15 . 3573 . 1 1 4 ARG HH21 H -3.693 6.913 0.195 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 15 . 3574 . 1 1 4 ARG HH22 H -2.195 6.709 -0.659 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 15 . 3575 . 1 1 4 ARG N N -8.064 1.662 2.190 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 15 . 3576 . 1 1 4 ARG NE N -4.534 4.570 -0.132 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 15 . 3577 . 1 1 4 ARG NH1 N -2.551 4.309 -1.288 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 15 . 3578 . 1 1 4 ARG NH2 N -3.066 6.331 -0.329 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 15 . 3579 . 1 1 4 ARG O O -5.406 0.929 3.358 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 15 . 3580 . 1 1 5 ARG C C -4.320 -2.465 3.179 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 15 . 3581 . 1 1 5 ARG CA C -5.380 -1.756 4.011 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 15 . 3582 . 1 1 5 ARG CB C -6.087 -2.746 4.944 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 15 . 3583 . 1 1 5 ARG CD C -7.429 -4.850 5.198 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 15 . 3584 . 1 1 5 ARG CG C -6.856 -3.839 4.222 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 15 . 3585 . 1 1 5 ARG CZ C -8.523 -4.613 7.400 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 15 . 3586 . 1 1 5 ARG H H -7.065 -1.625 2.738 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 15 . 3587 . 1 1 5 ARG HA H -4.900 -0.989 4.602 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 15 . 3588 . 1 1 5 ARG HB2 H -5.348 -3.217 5.575 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3589 . 1 1 5 ARG HB3 H -6.781 -2.200 5.567 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3590 . 1 1 5 ARG HD2 H -7.930 -5.626 4.642 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3591 . 1 1 5 ARG HD3 H -6.616 -5.281 5.763 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 15 . 3592 . 1 1 5 ARG HE H -8.954 -3.520 5.776 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 15 . 3593 . 1 1 5 ARG HG2 H -7.666 -3.389 3.669 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3594 . 1 1 5 ARG HG3 H -6.189 -4.347 3.540 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3595 . 1 1 5 ARG HH11 H -7.100 -6.054 7.322 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 15 . 3596 . 1 1 5 ARG HH12 H -7.880 -5.863 8.858 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 15 . 3597 . 1 1 5 ARG HH21 H -9.991 -3.277 7.797 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 15 . 3598 . 1 1 5 ARG HH22 H -9.531 -4.294 9.127 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 15 . 3599 . 1 1 5 ARG N N -6.321 -1.106 3.116 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 15 . 3600 . 1 1 5 ARG NE N -8.381 -4.241 6.127 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 15 . 3601 . 1 1 5 ARG NH1 N -7.775 -5.588 7.900 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 15 . 3602 . 1 1 5 ARG NH2 N -9.418 -4.012 8.171 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 15 . 3603 . 1 1 5 ARG O O -3.178 -2.631 3.604 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 15 . 3604 . 1 1 6 GLN C C -3.305 -2.413 0.062 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 15 . 3605 . 1 1 6 GLN CA C -3.810 -3.474 1.027 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 15 . 3606 . 1 1 6 GLN CB C -4.515 -4.599 0.264 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 15 . 3607 . 1 1 6 GLN CD C -4.363 -6.392 -1.506 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 15 . 3608 . 1 1 6 GLN CG C -3.647 -5.261 -0.796 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 15 . 3609 . 1 1 6 GLN H H -5.657 -2.742 1.725 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 15 . 3610 . 1 1 6 GLN HA H -2.973 -3.883 1.574 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 15 . 3611 . 1 1 6 GLN HB2 H -4.824 -5.357 0.968 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3612 . 1 1 6 GLN HB3 H -5.390 -4.192 -0.221 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3613 . 1 1 6 GLN HE21 H -3.347 -6.031 -3.172 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 15 . 3614 . 1 1 6 GLN HE22 H -4.488 -7.329 -3.253 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 15 . 3615 . 1 1 6 GLN HG2 H -3.364 -4.518 -1.527 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3616 . 1 1 6 GLN HG3 H -2.761 -5.656 -0.323 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3617 . 1 1 6 GLN N N -4.719 -2.866 1.980 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 15 . 3618 . 1 1 6 GLN NE2 N -4.031 -6.607 -2.769 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 15 . 3619 . 1 1 6 GLN O O -4.065 -1.891 -0.756 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 15 . 3620 . 1 1 6 GLN OE1 O -5.213 -7.068 -0.922 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 15 . 3621 . 1 1 7 . C C -0.086 -1.526 -1.195 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 15 . 3622 . 1 1 7 . CA C -1.430 -1.053 -0.658 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 15 . 3623 . 1 1 7 . CB C -1.280 0.250 0.132 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 15 . 3624 . 1 1 7 . CG C -0.522 0.100 1.441 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 15 . 3625 . 1 1 7 . H H -1.477 -2.539 0.849 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 15 . 3626 . 1 1 7 . HA H -2.092 -0.878 -1.486 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 15 . 3627 . 1 1 7 . HB2 H -2.264 0.637 0.353 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3628 . 1 1 7 . HB3 H -0.753 0.965 -0.481 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3629 . 1 1 7 . HD1 H 1.191 -0.830 0.653 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 15 . 3630 . 1 1 7 . HG2 H -0.918 -0.751 1.975 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3631 . 1 1 7 . HG3 H -0.676 0.989 2.022 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3632 . 1 1 7 . N N -2.032 -2.081 0.179 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 15 . 3633 . 1 1 7 . ND N 0.909 -0.092 1.233 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 15 . 3634 . 1 1 7 . O O 0.791 -0.717 -1.505 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 15 . 3635 . 1 1 8 SER C C 2.354 -3.441 -0.667 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 15 . 3636 . 1 1 8 SER CA C 1.274 -3.518 -1.735 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 15 . 3637 . 1 1 8 SER CB C 1.818 -2.931 -3.047 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 15 . 3638 . 1 1 8 SER H H -0.712 -3.409 -1.032 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 15 . 3639 . 1 1 8 SER HA H 1.029 -4.558 -1.897 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 15 . 3640 . 1 1 8 SER HB2 H 2.345 -3.700 -3.590 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3641 . 1 1 8 SER HB3 H 0.993 -2.570 -3.646 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3642 . 1 1 8 SER HG H 2.240 -1.164 -2.303 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 15 . 3643 . 1 1 8 SER N N 0.050 -2.848 -1.289 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 15 . 3644 . 1 1 8 SER O O 2.533 -2.415 -0.004 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 15 . 3645 . 1 1 8 SER OG O 2.711 -1.852 -2.801 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 15 . 3646 . 1 1 9 MET C C 5.356 -3.711 -0.151 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 15 . 3647 . 1 1 9 MET CA C 4.218 -4.568 0.398 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 15 . 3648 . 1 1 9 MET CB C 4.697 -6.010 0.606 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 15 . 3649 . 1 1 9 MET CE C 6.911 -8.235 0.989 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 15 . 3650 . 1 1 9 MET CG C 5.317 -6.636 -0.635 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 15 . 3651 . 1 1 9 MET H H 2.852 -5.342 -1.020 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 15 . 3652 . 1 1 9 MET HA H 3.895 -4.159 1.345 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 15 . 3653 . 1 1 9 MET HB2 H 5.435 -6.019 1.393 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3654 . 1 1 9 MET HB3 H 3.856 -6.617 0.907 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3655 . 1 1 9 MET HE1 H 7.304 -9.213 1.224 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 15 . 3656 . 1 1 9 MET HE2 H 6.384 -7.844 1.846 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 15 . 3657 . 1 1 9 MET HE3 H 7.725 -7.573 0.733 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 15 . 3658 . 1 1 9 MET HG2 H 4.602 -6.582 -1.442 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3659 . 1 1 9 MET HG3 H 6.199 -6.073 -0.903 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3660 . 1 1 9 MET N N 3.087 -4.534 -0.514 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 15 . 3661 . 1 1 9 MET O O 6.351 -3.469 0.531 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 15 . 3662 . 1 1 9 MET SD S 5.785 -8.364 -0.397 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 15 . 3663 . 1 1 10 THR C C 6.244 -1.036 -1.555 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 15 . 3664 . 1 1 10 THR CA C 6.213 -2.472 -2.062 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 15 . 3665 . 1 1 10 THR CB C 5.978 -2.478 -3.581 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 15 . 3666 . 1 1 10 THR CG2 C 7.290 -2.310 -4.329 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 15 . 3667 . 1 1 10 THR H H 4.335 -3.393 -1.849 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 15 . 3668 . 1 1 10 THR HA H 7.161 -2.933 -1.858 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 15 . 3669 . 1 1 10 THR HB H 5.322 -1.661 -3.839 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 15 . 3670 . 1 1 10 THR HG1 H 6.051 -4.342 -4.245 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 15 . 3671 . 1 1 10 THR HG21 H 7.969 -3.099 -4.044 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 15 . 3672 . 1 1 10 THR HG22 H 7.726 -1.353 -4.081 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 15 . 3673 . 1 1 10 THR HG23 H 7.107 -2.358 -5.391 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 15 . 3674 . 1 1 10 THR N N 5.186 -3.235 -1.383 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 15 . 3675 . 1 1 10 THR O O 7.199 -0.299 -1.797 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 15 . 3676 . 1 1 10 THR OG1 O 5.367 -3.718 -3.968 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 15 . 3677 . 1 1 11 GLU C C 6.121 0.782 0.920 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 15 . 3678 . 1 1 11 GLU CA C 5.157 0.692 -0.257 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 15 . 3679 . 1 1 11 GLU CB C 3.741 1.050 0.190 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 15 . 3680 . 1 1 11 GLU CD C 1.844 0.650 1.785 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 15 . 3681 . 1 1 11 GLU CG C 3.257 0.280 1.408 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 15 . 3682 . 1 1 11 GLU H H 4.450 -1.257 -0.699 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 15 . 3683 . 1 1 11 GLU HA H 5.475 1.388 -1.015 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 15 . 3684 . 1 1 11 GLU HB2 H 3.709 2.100 0.423 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3685 . 1 1 11 GLU HB3 H 3.060 0.853 -0.626 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3686 . 1 1 11 GLU HG2 H 3.290 -0.776 1.189 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 15 . 3687 . 1 1 11 GLU HG3 H 3.902 0.493 2.239 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 15 . 3688 . 1 1 11 GLU N N 5.201 -0.641 -0.838 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 15 . 3689 . 1 1 11 GLU O O 6.518 1.870 1.337 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 15 . 3690 . 1 1 11 GLU OE1 O 1.608 1.573 2.565 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 15 . 3691 . 1 1 12 PHE C C 8.855 -0.477 2.088 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 15 . 3692 . 1 1 12 PHE CA C 7.410 -0.446 2.569 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 15 . 3693 . 1 1 12 PHE CB C 7.107 -1.683 3.419 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 15 . 3694 . 1 1 12 PHE CD1 C 5.111 -0.761 4.634 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 15 . 3695 . 1 1 12 PHE CD2 C 4.889 -2.857 3.520 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 15 . 3696 . 1 1 12 PHE CE1 C 3.793 -0.837 5.045 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 15 . 3697 . 1 1 12 PHE CE2 C 3.572 -2.939 3.928 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 15 . 3698 . 1 1 12 PHE CG C 5.673 -1.768 3.867 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 15 . 3699 . 1 1 12 PHE CZ C 3.023 -1.927 4.691 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 15 . 3700 . 1 1 12 PHE H H 6.166 -1.208 1.042 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 15 . 3701 . 1 1 12 PHE HA H 7.263 0.438 3.169 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 15 . 3702 . 1 1 12 PHE HB2 H 7.329 -2.568 2.843 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3703 . 1 1 12 PHE HB3 H 7.732 -1.667 4.301 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3704 . 1 1 12 PHE HD1 H 5.712 0.093 4.909 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 15 . 3705 . 1 1 12 PHE HD2 H 5.316 -3.648 2.923 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3706 . 1 1 12 PHE HE1 H 3.367 -0.044 5.643 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 15 . 3707 . 1 1 12 PHE HE2 H 2.971 -3.793 3.649 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 15 . 3708 . 1 1 12 PHE HZ H 1.994 -1.988 5.010 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 15 . 3709 . 1 1 12 PHE N N 6.503 -0.376 1.438 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 15 . 3710 . 1 1 12 PHE O O 9.792 -0.370 2.881 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 15 . 3711 . 1 1 13 TYR C C 10.891 0.774 0.028 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 15 . 3712 . 1 1 13 TYR CA C 10.354 -0.644 0.182 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 15 . 3713 . 1 1 13 TYR CB C 10.317 -1.351 -1.176 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 15 . 3714 . 1 1 13 TYR CD1 C 12.091 -0.713 -2.863 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 15 . 3715 . 1 1 13 TYR CD2 C 12.558 -2.502 -1.358 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 15 . 3716 . 1 1 13 TYR CE1 C 13.335 -0.870 -3.444 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 15 . 3717 . 1 1 13 TYR CE2 C 13.803 -2.665 -1.932 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 15 . 3718 . 1 1 13 TYR CG C 11.681 -1.526 -1.811 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 15 . 3719 . 1 1 13 TYR CZ C 14.188 -1.848 -2.974 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 15 . 3720 . 1 1 13 TYR H H 8.244 -0.681 0.197 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 15 . 3721 . 1 1 13 TYR HA H 11.003 -1.193 0.848 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 15 . 3722 . 1 1 13 TYR HB2 H 9.880 -2.330 -1.053 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3723 . 1 1 13 TYR HB3 H 9.707 -0.772 -1.852 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3724 . 1 1 13 TYR HD1 H 11.421 0.051 -3.228 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 15 . 3725 . 1 1 13 TYR HD2 H 12.255 -3.141 -0.542 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3726 . 1 1 13 TYR HE1 H 13.635 -0.229 -4.260 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 15 . 3727 . 1 1 13 TYR HE2 H 14.470 -3.429 -1.563 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 15 . 3728 . 1 1 13 TYR HH H 15.591 -2.951 -3.700 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 15 . 3729 . 1 1 13 TYR N N 9.028 -0.613 0.778 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 15 . 3730 . 1 1 13 TYR O O 10.614 1.455 -0.959 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 15 . 3731 . 1 1 13 TYR OH O 15.430 -2.012 -3.549 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 15 . 3732 . 1 1 14 HIS C C 13.495 2.552 1.872 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 15 . 3733 . 1 1 14 HIS CA C 12.244 2.537 1.007 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 15 . 3734 . 1 1 14 HIS CB C 11.245 3.624 1.455 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 15 . 3735 . 1 1 14 HIS CD2 C 10.740 3.197 3.972 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 15 . 3736 . 1 1 14 HIS CE1 C 8.611 2.729 3.798 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 15 . 3737 . 1 1 14 HIS CG C 10.416 3.275 2.661 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 15 . 3738 . 1 1 14 HIS H H 11.800 0.627 1.791 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 15 . 3739 . 1 1 14 HIS HA H 12.539 2.741 -0.012 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 15 . 3740 . 1 1 14 HIS HB2 H 11.794 4.525 1.688 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 15 . 3741 . 1 1 14 HIS HB3 H 10.569 3.832 0.638 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 15 . 3742 . 1 1 14 HIS HD1 H 8.533 2.959 1.762 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 15 . 3743 . 1 1 14 HIS HD2 H 11.718 3.367 4.400 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 15 . 3744 . 1 1 14 HIS HE1 H 7.594 2.464 4.043 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 15 . 3745 . 1 1 14 HIS HE2 H 9.509 2.845 5.636 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 15 . 3746 . 1 1 14 HIS N N 11.641 1.213 1.020 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 15 . 3747 . 1 1 14 HIS ND1 N 9.073 2.977 2.585 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 15 . 3748 . 1 1 14 HIS NE2 N 9.602 2.856 4.657 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 15 . 3749 . 1 1 14 HIS O O 14.604 2.615 1.305 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 15 . 3750 . 1 1 14 HIS OXT O 13.373 2.453 3.107 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 16 . 3751 . 1 1 1 GLY C C -12.628 4.434 2.750 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 16 . 3752 . 1 1 1 GLY CA C -13.800 3.618 3.241 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 16 . 3753 . 1 1 1 GLY H1 H -14.806 3.500 1.425 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 16 . 3754 . 1 1 1 GLY H2 H -15.211 2.270 2.515 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 16 . 3755 . 1 1 1 GLY H3 H -13.732 2.227 1.701 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 16 . 3756 . 1 1 1 GLY HA2 H -14.533 4.284 3.670 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 16 . 3757 . 1 1 1 GLY HA3 H -13.458 2.933 4.002 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 16 . 3758 . 1 1 1 GLY N N -14.432 2.851 2.146 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 16 . 3759 . 1 1 1 GLY O O -12.426 4.566 1.541 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 16 . 3760 . 1 1 2 ARG C C -9.605 4.883 2.735 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 16 . 3761 . 1 1 2 ARG CA C -10.689 5.776 3.323 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 16 . 3762 . 1 1 2 ARG CB C -10.150 6.525 4.544 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 16 . 3763 . 1 1 2 ARG CD C -10.546 8.251 6.327 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 16 . 3764 . 1 1 2 ARG CG C -11.165 7.453 5.191 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 16 . 3765 . 1 1 2 ARG CZ C -8.663 9.819 6.656 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 16 . 3766 . 1 1 2 ARG H H -12.073 4.844 4.626 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 16 . 3767 . 1 1 2 ARG HA H -10.993 6.492 2.576 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 16 . 3768 . 1 1 2 ARG HB2 H -9.831 5.805 5.283 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3769 . 1 1 2 ARG HB3 H -9.298 7.115 4.242 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3770 . 1 1 2 ARG HD2 H -11.317 8.848 6.793 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3771 . 1 1 2 ARG HD3 H -10.136 7.563 7.052 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 16 . 3772 . 1 1 2 ARG HE H -9.373 9.230 4.879 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 16 . 3773 . 1 1 2 ARG HG2 H -11.537 8.138 4.445 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3774 . 1 1 2 ARG HG3 H -11.981 6.862 5.580 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3775 . 1 1 2 ARG HH11 H -9.466 9.111 8.376 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 16 . 3776 . 1 1 2 ARG HH12 H -8.154 10.229 8.573 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 16 . 3777 . 1 1 2 ARG HH21 H -7.638 10.690 5.141 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 16 . 3778 . 1 1 2 ARG HH22 H -7.117 11.129 6.737 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 16 . 3779 . 1 1 2 ARG N N -11.855 4.980 3.678 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 16 . 3780 . 1 1 2 ARG NE N -9.480 9.136 5.854 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 16 . 3781 . 1 1 2 ARG NH1 N -8.770 9.710 7.972 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 16 . 3782 . 1 1 2 ARG NH2 N -7.730 10.607 6.136 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 16 . 3783 . 1 1 2 ARG O O -9.082 5.152 1.655 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 16 . 3784 . 1 1 3 LYS C C -8.902 1.862 2.014 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 16 . 3785 . 1 1 3 LYS CA C -8.283 2.865 2.986 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 16 . 3786 . 1 1 3 LYS CB C -7.649 2.134 4.177 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 16 . 3787 . 1 1 3 LYS CD C -5.316 1.896 3.215 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 16 . 3788 . 1 1 3 LYS CE C -4.648 2.793 4.246 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 16 . 3789 . 1 1 3 LYS CG C -6.527 1.173 3.794 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 16 . 3790 . 1 1 3 LYS H H -9.745 3.647 4.295 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 16 . 3791 . 1 1 3 LYS HA H -7.519 3.423 2.467 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 16 . 3792 . 1 1 3 LYS HB2 H -7.246 2.867 4.859 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3793 . 1 1 3 LYS HB3 H -8.417 1.570 4.685 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3794 . 1 1 3 LYS HD2 H -4.599 1.162 2.876 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3795 . 1 1 3 LYS HD3 H -5.635 2.500 2.379 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 16 . 3796 . 1 1 3 LYS HE2 H -5.341 3.569 4.530 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 16 . 3797 . 1 1 3 LYS HE3 H -4.399 2.199 5.114 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 16 . 3798 . 1 1 3 LYS HG2 H -6.217 0.630 4.673 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3799 . 1 1 3 LYS HG3 H -6.902 0.478 3.057 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3800 . 1 1 3 LYS HZ1 H -3.635 4.027 2.902 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 16 . 3801 . 1 1 3 LYS HZ2 H -2.732 2.694 3.420 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 16 . 3802 . 1 1 3 LYS HZ3 H -2.967 4.009 4.454 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 16 . 3803 . 1 1 3 LYS N N -9.289 3.809 3.444 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 16 . 3804 . 1 1 3 LYS NZ N -3.411 3.424 3.719 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 16 . 3805 . 1 1 3 LYS O O -9.303 0.761 2.402 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 16 . 3806 . 1 1 4 ARG C C -8.333 0.855 -1.114 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 16 . 3807 . 1 1 4 ARG CA C -9.501 1.368 -0.280 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 16 . 3808 . 1 1 4 ARG CB C -10.529 2.085 -1.166 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 16 . 3809 . 1 1 4 ARG CD C -11.738 -0.030 -1.819 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 16 . 3810 . 1 1 4 ARG CG C -11.053 1.235 -2.315 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 16 . 3811 . 1 1 4 ARG CZ C -13.679 -0.668 -0.440 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 16 . 3812 . 1 1 4 ARG H H -8.770 3.184 0.525 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 16 . 3813 . 1 1 4 ARG HA H -9.977 0.530 0.204 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 16 . 3814 . 1 1 4 ARG HB2 H -11.368 2.379 -0.555 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3815 . 1 1 4 ARG HB3 H -10.071 2.969 -1.582 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3816 . 1 1 4 ARG HD2 H -11.973 -0.652 -2.667 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3817 . 1 1 4 ARG HD3 H -11.058 -0.557 -1.166 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 16 . 3818 . 1 1 4 ARG HE H -13.297 1.182 -1.103 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 16 . 3819 . 1 1 4 ARG HG2 H -11.763 1.816 -2.884 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3820 . 1 1 4 ARG HG3 H -10.224 0.958 -2.950 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3821 . 1 1 4 ARG HH11 H -12.376 -2.181 -0.800 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 16 . 3822 . 1 1 4 ARG HH12 H -13.782 -2.615 0.117 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 16 . 3823 . 1 1 4 ARG HH21 H -15.151 0.611 0.115 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 16 . 3824 . 1 1 4 ARG HH22 H -15.361 -1.032 0.630 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 16 . 3825 . 1 1 4 ARG N N -9.014 2.261 0.759 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 16 . 3826 . 1 1 4 ARG NE N -12.969 0.254 -1.089 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 16 . 3827 . 1 1 4 ARG NH1 N -13.242 -1.922 -0.369 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 16 . 3828 . 1 1 4 ARG NH2 N -14.818 -0.336 0.152 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 16 . 3829 . 1 1 4 ARG O O -8.300 -0.310 -1.516 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 16 . 3830 . 1 1 5 ARG C C -5.069 0.933 -1.181 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 16 . 3831 . 1 1 5 ARG CA C -6.185 1.369 -2.120 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 16 . 3832 . 1 1 5 ARG CB C -5.731 2.555 -2.970 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 16 . 3833 . 1 1 5 ARG CD C -4.095 3.490 -4.620 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 16 . 3834 . 1 1 5 ARG CG C -4.531 2.257 -3.853 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 16 . 3835 . 1 1 5 ARG CZ C -5.250 5.290 -5.852 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 16 . 3836 . 1 1 5 ARG H H -7.441 2.636 -0.993 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 16 . 3837 . 1 1 5 ARG HA H -6.443 0.544 -2.767 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 16 . 3838 . 1 1 5 ARG HB2 H -6.550 2.860 -3.606 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3839 . 1 1 5 ARG HB3 H -5.475 3.373 -2.315 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3840 . 1 1 5 ARG HD2 H -3.783 4.247 -3.916 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3841 . 1 1 5 ARG HD3 H -3.265 3.228 -5.259 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 16 . 3842 . 1 1 5 ARG HE H -5.892 3.400 -5.707 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 16 . 3843 . 1 1 5 ARG HG2 H -3.712 1.920 -3.233 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3844 . 1 1 5 ARG HG3 H -4.797 1.481 -4.556 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3845 . 1 1 5 ARG HH11 H -3.530 5.863 -4.947 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 16 . 3846 . 1 1 5 ARG HH12 H -4.360 7.114 -5.818 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 16 . 3847 . 1 1 5 ARG HH21 H -6.996 5.027 -6.848 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 16 . 3848 . 1 1 5 ARG HH22 H -6.333 6.630 -6.918 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 16 . 3849 . 1 1 5 ARG N N -7.365 1.726 -1.352 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 16 . 3850 . 1 1 5 ARG NE N -5.177 4.024 -5.444 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 16 . 3851 . 1 1 5 ARG NH1 N -4.306 6.159 -5.512 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 16 . 3852 . 1 1 5 ARG NH2 N -6.276 5.683 -6.595 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 16 . 3853 . 1 1 5 ARG O O -4.380 1.762 -0.586 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 16 . 3854 . 1 1 6 GLN C C -3.136 -2.052 -0.780 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 16 . 3855 . 1 1 6 GLN CA C -3.910 -0.913 -0.129 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 16 . 3856 . 1 1 6 GLN CB C -4.592 -1.399 1.152 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 16 . 3857 . 1 1 6 GLN CD C -4.326 -2.398 3.454 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 16 . 3858 . 1 1 6 GLN CG C -3.632 -1.976 2.177 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 16 . 3859 . 1 1 6 GLN H H -5.447 -0.985 -1.576 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 16 . 3860 . 1 1 6 GLN HA H -3.221 -0.120 0.120 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 16 . 3861 . 1 1 6 GLN HB2 H -5.113 -0.569 1.607 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3862 . 1 1 6 GLN HB3 H -5.310 -2.163 0.895 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3863 . 1 1 6 GLN HE21 H -2.668 -2.051 4.485 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 16 . 3864 . 1 1 6 GLN HE22 H -4.018 -2.623 5.403 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 16 . 3865 . 1 1 6 GLN HG2 H -3.147 -2.841 1.750 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3866 . 1 1 6 GLN HG3 H -2.890 -1.229 2.417 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3867 . 1 1 6 GLN N N -4.900 -0.370 -1.043 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 16 . 3868 . 1 1 6 GLN NE2 N -3.602 -2.352 4.558 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 16 . 3869 . 1 1 6 GLN O O -3.715 -2.920 -1.439 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 16 . 3870 . 1 1 6 GLN OE1 O -5.501 -2.767 3.446 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 16 . 3871 . 1 1 7 . C C 0.112 -3.419 -0.085 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 16 . 3872 . 1 1 7 . CA C -0.964 -3.086 -1.108 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 16 . 3873 . 1 1 7 . CB C -0.354 -2.687 -2.457 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 16 . 3874 . 1 1 7 . CG C 0.303 -1.319 -2.467 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 16 . 3875 . 1 1 7 . H H -1.421 -1.283 -0.114 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 16 . 3876 . 1 1 7 . HA H -1.571 -3.956 -1.254 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 16 . 3877 . 1 1 7 . HB2 H -1.134 -2.691 -3.204 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3878 . 1 1 7 . HB3 H 0.393 -3.417 -2.731 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3879 . 1 1 7 . HD1 H 1.795 -1.745 -1.041 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 16 . 3880 . 1 1 7 . HG2 H -0.304 -0.643 -1.880 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3881 . 1 1 7 . HG3 H 0.340 -0.969 -3.482 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3882 . 1 1 7 . N N -1.826 -2.033 -0.604 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 16 . 3883 . 1 1 7 . ND N 1.659 -1.332 -1.920 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 16 . 3884 . 1 1 7 . O O 0.081 -2.896 1.032 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 16 . 3885 . 1 1 8 SER C C 2.804 -3.467 1.040 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 16 . 3886 . 1 1 8 SER CA C 2.145 -4.687 0.403 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 16 . 3887 . 1 1 8 SER CB C 3.181 -5.458 -0.425 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 16 . 3888 . 1 1 8 SER H H 0.963 -4.708 -1.348 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 16 . 3889 . 1 1 8 SER HA H 1.763 -5.330 1.180 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 16 . 3890 . 1 1 8 SER HB2 H 2.765 -6.408 -0.722 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3891 . 1 1 8 SER HB3 H 3.430 -4.886 -1.307 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3892 . 1 1 8 SER HG H 5.086 -5.913 -0.301 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 16 . 3893 . 1 1 8 SER N N 1.034 -4.299 -0.458 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 16 . 3894 . 1 1 8 SER O O 3.042 -2.462 0.376 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 16 . 3895 . 1 1 8 SER OG O 4.370 -5.696 0.313 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 16 . 3896 . 1 1 9 MET C C 5.271 -2.551 2.628 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 16 . 3897 . 1 1 9 MET CA C 3.802 -2.485 3.013 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 16 . 3898 . 1 1 9 MET CB C 3.643 -2.590 4.531 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 16 . 3899 . 1 1 9 MET CE C 2.500 0.312 5.254 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 16 . 3900 . 1 1 9 MET CG C 2.207 -2.440 5.008 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 16 . 3901 . 1 1 9 MET H H 2.793 -4.338 2.839 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 16 . 3902 . 1 1 9 MET HA H 3.397 -1.542 2.676 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 16 . 3903 . 1 1 9 MET HB2 H 4.008 -3.555 4.853 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3904 . 1 1 9 MET HB3 H 4.239 -1.818 4.998 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3905 . 1 1 9 MET HE1 H 3.507 0.206 4.879 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 16 . 3906 . 1 1 9 MET HE2 H 2.495 0.153 6.321 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 16 . 3907 . 1 1 9 MET HE3 H 2.136 1.307 5.036 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 16 . 3908 . 1 1 9 MET HG2 H 1.628 -3.266 4.623 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3909 . 1 1 9 MET HG3 H 2.197 -2.469 6.088 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3910 . 1 1 9 MET N N 3.080 -3.549 2.332 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 16 . 3911 . 1 1 9 MET O O 6.010 -1.575 2.744 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 16 . 3912 . 1 1 9 MET SD S 1.439 -0.897 4.464 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 16 . 3913 . 1 1 10 THR C C 7.245 -3.297 0.309 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 16 . 3914 . 1 1 10 THR CA C 7.030 -3.935 1.681 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 16 . 3915 . 1 1 10 THR CB C 7.333 -5.445 1.629 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 16 . 3916 . 1 1 10 THR CG2 C 8.813 -5.708 1.411 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 16 . 3917 . 1 1 10 THR H H 5.036 -4.456 2.080 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 16 . 3918 . 1 1 10 THR HA H 7.698 -3.474 2.386 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 16 . 3919 . 1 1 10 THR HB H 6.774 -5.885 0.815 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 16 . 3920 . 1 1 10 THR HG1 H 7.230 -5.501 3.597 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 16 . 3921 . 1 1 10 THR HG21 H 8.987 -6.772 1.376 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 16 . 3922 . 1 1 10 THR HG22 H 9.377 -5.275 2.223 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 16 . 3923 . 1 1 10 THR HG23 H 9.123 -5.261 0.478 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 16 . 3924 . 1 1 10 THR N N 5.675 -3.715 2.137 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 16 . 3925 . 1 1 10 THR O O 8.373 -3.177 -0.172 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 16 . 3926 . 1 1 10 THR OG1 O 6.924 -6.050 2.863 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 16 . 3927 . 1 1 11 GLU C C 6.823 -0.774 -1.380 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 16 . 3928 . 1 1 11 GLU CA C 6.248 -2.172 -1.593 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 16 . 3929 . 1 1 11 GLU CB C 4.877 -2.081 -2.280 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 16 . 3930 . 1 1 11 GLU CD C 2.702 -0.802 -2.540 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 16 . 3931 . 1 1 11 GLU CG C 4.029 -0.902 -1.820 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 16 . 3932 . 1 1 11 GLU H H 5.275 -3.011 0.091 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 16 . 3933 . 1 1 11 GLU HA H 6.922 -2.730 -2.220 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 16 . 3934 . 1 1 11 GLU HB2 H 5.029 -1.992 -3.342 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3935 . 1 1 11 GLU HB3 H 4.329 -2.990 -2.080 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3936 . 1 1 11 GLU HG2 H 3.836 -1.010 -0.763 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 16 . 3937 . 1 1 11 GLU HG3 H 4.577 0.006 -1.988 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 16 . 3938 . 1 1 11 GLU N N 6.154 -2.863 -0.315 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 16 . 3939 . 1 1 11 GLU O O 7.323 -0.144 -2.311 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 16 . 3940 . 1 1 11 GLU OE1 O 2.612 -0.212 -3.618 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 16 . 3941 . 1 1 12 PHE C C 8.701 0.969 0.663 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 16 . 3942 . 1 1 12 PHE CA C 7.242 1.020 0.218 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 16 . 3943 . 1 1 12 PHE CB C 6.386 1.623 1.334 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 16 . 3944 . 1 1 12 PHE CD1 C 3.979 0.969 1.565 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 16 . 3945 . 1 1 12 PHE CD2 C 4.532 2.730 0.060 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 16 . 3946 . 1 1 12 PHE CE1 C 2.644 1.107 1.244 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 16 . 3947 . 1 1 12 PHE CE2 C 3.199 2.874 -0.268 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 16 . 3948 . 1 1 12 PHE CG C 4.937 1.777 0.978 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 16 . 3949 . 1 1 12 PHE CZ C 2.252 2.061 0.326 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 16 . 3950 . 1 1 12 PHE H H 6.376 -0.878 0.563 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 16 . 3951 . 1 1 12 PHE HA H 7.166 1.646 -0.657 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 16 . 3952 . 1 1 12 PHE HB2 H 6.446 0.988 2.205 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3953 . 1 1 12 PHE HB3 H 6.773 2.601 1.583 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3954 . 1 1 12 PHE HD1 H 4.285 0.222 2.283 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 16 . 3955 . 1 1 12 PHE HD2 H 5.271 3.365 -0.405 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3956 . 1 1 12 PHE HE1 H 1.906 0.471 1.709 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 16 . 3957 . 1 1 12 PHE HE2 H 2.896 3.621 -0.986 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 16 . 3958 . 1 1 12 PHE HZ H 1.208 2.170 0.072 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 16 . 3959 . 1 1 12 PHE N N 6.757 -0.307 -0.137 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 16 . 3960 . 1 1 12 PHE O O 9.089 1.613 1.641 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 16 . 3961 . 1 1 13 TYR C C 11.663 1.311 -0.292 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 16 . 3962 . 1 1 13 TYR CA C 10.924 0.102 0.271 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 16 . 3963 . 1 1 13 TYR CB C 11.517 -1.207 -0.262 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 16 . 3964 . 1 1 13 TYR CD1 C 10.326 -1.711 -2.434 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 16 . 3965 . 1 1 13 TYR CD2 C 12.630 -1.113 -2.519 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 16 . 3966 . 1 1 13 TYR CE1 C 10.307 -1.846 -3.808 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 16 . 3967 . 1 1 13 TYR CE2 C 12.618 -1.242 -3.890 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 16 . 3968 . 1 1 13 TYR CG C 11.488 -1.342 -1.768 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 16 . 3969 . 1 1 13 TYR CZ C 11.456 -1.609 -4.531 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 16 . 3970 . 1 1 13 TYR H H 9.144 -0.315 -0.797 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 16 . 3971 . 1 1 13 TYR HA H 11.020 0.116 1.347 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 16 . 3972 . 1 1 13 TYR HB2 H 12.547 -1.279 0.053 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3973 . 1 1 13 TYR HB3 H 10.963 -2.036 0.156 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3974 . 1 1 13 TYR HD1 H 9.427 -1.893 -1.863 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 16 . 3975 . 1 1 13 TYR HD2 H 13.542 -0.825 -2.016 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3976 . 1 1 13 TYR HE1 H 9.394 -2.133 -4.308 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 16 . 3977 . 1 1 13 TYR HE2 H 13.518 -1.059 -4.455 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 16 . 3978 . 1 1 13 TYR HH H 12.191 -2.290 -6.173 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 16 . 3979 . 1 1 13 TYR N N 9.508 0.196 -0.042 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 16 . 3980 . 1 1 13 TYR O O 11.176 1.959 -1.220 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 16 . 3981 . 1 1 13 TYR OH O 11.444 -1.745 -5.899 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 16 . 3982 . 1 1 14 HIS C C 12.796 4.053 0.185 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 16 . 3983 . 1 1 14 HIS CA C 13.609 2.792 -0.075 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 16 . 3984 . 1 1 14 HIS CB C 14.068 2.762 -1.539 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 16 . 3985 . 1 1 14 HIS CD2 C 15.978 1.062 -1.087 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 16 . 3986 . 1 1 14 HIS CE1 C 16.096 0.179 -3.085 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 16 . 3987 . 1 1 14 HIS CG C 15.047 1.673 -1.856 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 16 . 3988 . 1 1 14 HIS H H 13.181 0.999 0.968 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 16 . 3989 . 1 1 14 HIS HA H 14.481 2.810 0.563 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 16 . 3990 . 1 1 14 HIS HB2 H 13.205 2.622 -2.171 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 16 . 3991 . 1 1 14 HIS HB3 H 14.531 3.708 -1.780 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 16 . 3992 . 1 1 14 HIS HD1 H 14.605 1.332 -3.891 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 16 . 3993 . 1 1 14 HIS HD2 H 16.182 1.266 -0.045 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 16 . 3994 . 1 1 14 HIS HE1 H 16.396 -0.432 -3.922 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 16 . 3995 . 1 1 14 HIS HE2 H 17.206 -0.573 -1.541 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 16 . 3996 . 1 1 14 HIS N N 12.831 1.602 0.279 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 16 . 3997 . 1 1 14 HIS ND1 N 15.149 1.097 -3.104 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 16 . 3998 . 1 1 14 HIS NE2 N 16.615 0.138 -1.874 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 16 . 3999 . 1 1 14 HIS O O 12.267 4.639 -0.782 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 16 . 4000 . 1 1 14 HIS OXT O 12.669 4.444 1.364 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 17 . 4001 . 1 1 1 GLY C C -14.388 2.559 1.908 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 17 . 4002 . 1 1 1 GLY CA C -14.747 2.564 3.376 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 17 . 4003 . 1 1 1 GLY H1 H -14.782 1.274 5.012 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 17 . 4004 . 1 1 1 GLY H2 H -13.492 1.010 3.954 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 17 . 4005 . 1 1 1 GLY H3 H -15.046 0.510 3.528 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 17 . 4006 . 1 1 1 GLY HA2 H -15.791 2.814 3.481 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 17 . 4007 . 1 1 1 GLY HA3 H -14.155 3.312 3.881 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 17 . 4008 . 1 1 1 GLY N N -14.501 1.248 4.012 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 17 . 4009 . 1 1 1 GLY O O -13.868 1.565 1.394 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 17 . 4010 . 1 1 2 ARG C C -12.885 3.897 -0.456 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 17 . 4011 . 1 1 2 ARG CA C -14.384 3.779 -0.198 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 17 . 4012 . 1 1 2 ARG CB C -15.117 4.983 -0.798 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 17 . 4013 . 1 1 2 ARG CD C -15.379 7.483 -0.907 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 17 . 4014 . 1 1 2 ARG CG C -14.668 6.322 -0.232 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 17 . 4015 . 1 1 2 ARG CZ C -15.740 8.349 -3.189 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 17 . 4016 . 1 1 2 ARG H H -15.053 4.432 1.703 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 17 . 4017 . 1 1 2 ARG HA H -14.745 2.879 -0.671 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 17 . 4018 . 1 1 2 ARG HB2 H -14.947 4.995 -1.865 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4019 . 1 1 2 ARG HB3 H -16.174 4.874 -0.613 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4020 . 1 1 2 ARG HD2 H -16.442 7.380 -0.748 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4021 . 1 1 2 ARG HD3 H -15.038 8.406 -0.460 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 17 . 4022 . 1 1 2 ARG HE H -14.436 6.907 -2.699 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 17 . 4023 . 1 1 2 ARG HG2 H -14.888 6.345 0.825 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4024 . 1 1 2 ARG HG3 H -13.603 6.427 -0.382 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4025 . 1 1 2 ARG HH11 H -16.877 9.231 -1.763 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 17 . 4026 . 1 1 2 ARG HH12 H -17.134 9.809 -3.378 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 17 . 4027 . 1 1 2 ARG HH21 H -14.755 7.677 -4.825 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 17 . 4028 . 1 1 2 ARG HH22 H -15.914 8.933 -5.119 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 17 . 4029 . 1 1 2 ARG N N -14.658 3.668 1.229 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 17 . 4030 . 1 1 2 ARG NE N -15.116 7.528 -2.344 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 17 . 4031 . 1 1 2 ARG NH1 N -16.655 9.200 -2.740 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 17 . 4032 . 1 1 2 ARG NH2 N -15.446 8.319 -4.480 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 17 . 4033 . 1 1 2 ARG O O -12.404 3.552 -1.534 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 17 . 4034 . 1 1 3 LYS C C -10.052 3.152 0.583 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 17 . 4035 . 1 1 3 LYS CA C -10.710 4.513 0.418 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 17 . 4036 . 1 1 3 LYS CB C -10.166 5.506 1.448 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 17 . 4037 . 1 1 3 LYS CD C -9.983 7.918 2.167 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 17 . 4038 . 1 1 3 LYS CE C -10.524 7.721 3.575 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 17 . 4039 . 1 1 3 LYS CG C -10.597 6.939 1.180 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 17 . 4040 . 1 1 3 LYS H H -12.595 4.669 1.365 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 17 . 4041 . 1 1 3 LYS HA H -10.493 4.884 -0.572 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 17 . 4042 . 1 1 3 LYS HB2 H -10.518 5.221 2.429 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4043 . 1 1 3 LYS HB3 H -9.086 5.467 1.436 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4044 . 1 1 3 LYS HD2 H -8.912 7.774 2.182 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4045 . 1 1 3 LYS HD3 H -10.205 8.924 1.844 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 17 . 4046 . 1 1 3 LYS HE2 H -11.602 7.777 3.543 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 17 . 4047 . 1 1 3 LYS HE3 H -10.225 6.745 3.929 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 17 . 4048 . 1 1 3 LYS HG2 H -10.287 7.214 0.184 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4049 . 1 1 3 LYS HG3 H -11.673 6.997 1.250 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4050 . 1 1 3 LYS HZ1 H -10.353 8.561 5.475 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 17 . 4051 . 1 1 3 LYS HZ2 H -10.352 9.697 4.225 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 17 . 4052 . 1 1 3 LYS HZ3 H -8.974 8.756 4.515 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 17 . 4053 . 1 1 3 LYS N N -12.153 4.389 0.534 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 17 . 4054 . 1 1 3 LYS NZ N -10.015 8.755 4.513 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 17 . 4055 . 1 1 3 LYS O O -10.371 2.404 1.508 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 17 . 4056 . 1 1 4 ARG C C -7.418 1.414 0.698 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 17 . 4057 . 1 1 4 ARG CA C -8.515 1.526 -0.351 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 17 . 4058 . 1 1 4 ARG CB C -7.941 1.244 -1.741 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 17 . 4059 . 1 1 4 ARG CD C -6.376 1.926 -3.587 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 17 . 4060 . 1 1 4 ARG CG C -6.863 2.225 -2.179 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 17 . 4061 . 1 1 4 ARG CZ C -7.274 1.905 -5.884 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 17 . 4062 . 1 1 4 ARG H H -8.875 3.510 -0.985 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 17 . 4063 . 1 1 4 ARG HA H -9.278 0.792 -0.134 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 17 . 4064 . 1 1 4 ARG HB2 H -7.515 0.253 -1.744 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4065 . 1 1 4 ARG HB3 H -8.745 1.282 -2.461 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4066 . 1 1 4 ARG HD2 H -5.609 2.639 -3.849 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4067 . 1 1 4 ARG HD3 H -5.962 0.929 -3.606 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 17 . 4068 . 1 1 4 ARG HE H -8.366 2.155 -4.227 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 17 . 4069 . 1 1 4 ARG HG2 H -7.267 3.225 -2.153 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4070 . 1 1 4 ARG HG3 H -6.027 2.156 -1.497 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4071 . 1 1 4 ARG HH11 H -5.266 1.657 -5.761 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 17 . 4072 . 1 1 4 ARG HH12 H -5.918 1.630 -7.369 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 17 . 4073 . 1 1 4 ARG HH21 H -9.238 2.119 -6.341 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 17 . 4074 . 1 1 4 ARG HH22 H -8.174 1.908 -7.695 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 17 . 4075 . 1 1 4 ARG N N -9.142 2.837 -0.322 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 17 . 4076 . 1 1 4 ARG NE N -7.456 2.010 -4.570 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 17 . 4077 . 1 1 4 ARG NH1 N -6.056 1.719 -6.376 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 17 . 4078 . 1 1 4 ARG NH2 N -8.312 1.982 -6.705 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 17 . 4079 . 1 1 4 ARG O O -6.754 2.397 1.034 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 17 . 4080 . 1 1 5 ARG C C -5.191 -1.038 1.580 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 17 . 4081 . 1 1 5 ARG CA C -6.199 -0.069 2.186 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 17 . 4082 . 1 1 5 ARG CB C -6.815 -0.635 3.467 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 17 . 4083 . 1 1 5 ARG CD C -8.463 -0.302 5.341 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 17 . 4084 . 1 1 5 ARG CG C -7.807 0.316 4.120 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 17 . 4085 . 1 1 5 ARG CZ C -10.518 0.174 6.628 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 17 . 4086 . 1 1 5 ARG H H -7.823 -0.526 0.918 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 17 . 4087 . 1 1 5 ARG HA H -5.699 0.862 2.412 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 17 . 4088 . 1 1 5 ARG HB2 H -7.329 -1.556 3.233 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4089 . 1 1 5 ARG HB3 H -6.027 -0.841 4.175 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4090 . 1 1 5 ARG HD2 H -8.947 -1.222 5.048 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4091 . 1 1 5 ARG HD3 H -7.701 -0.514 6.077 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 17 . 4092 . 1 1 5 ARG HE H -9.336 1.558 5.791 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 17 . 4093 . 1 1 5 ARG HG2 H -7.286 1.212 4.420 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4094 . 1 1 5 ARG HG3 H -8.572 0.567 3.401 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4095 . 1 1 5 ARG HH11 H -10.054 -1.796 6.496 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 17 . 4096 . 1 1 5 ARG HH12 H -11.510 -1.433 7.363 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 17 . 4097 . 1 1 5 ARG HH21 H -11.248 2.036 6.948 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 17 . 4098 . 1 1 5 ARG HH22 H -12.182 0.746 7.635 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 17 . 4099 . 1 1 5 ARG N N -7.241 0.208 1.213 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 17 . 4100 . 1 1 5 ARG NE N -9.460 0.591 5.932 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 17 . 4101 . 1 1 5 ARG NH1 N -10.708 -1.121 6.849 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 17 . 4102 . 1 1 5 ARG NH2 N -11.385 1.056 7.109 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 17 . 4103 . 1 1 5 ARG O O -5.269 -1.334 0.385 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 17 . 4104 . 1 1 6 GLN C C -2.345 -1.645 0.869 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 17 . 4105 . 1 1 6 GLN CA C -3.169 -2.382 1.919 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 17 . 4106 . 1 1 6 GLN CB C -3.678 -3.719 1.355 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 17 . 4107 . 1 1 6 GLN CD C -5.555 -4.346 2.943 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 17 . 4108 . 1 1 6 GLN CG C -4.179 -4.693 2.413 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 17 . 4109 . 1 1 6 GLN H H -4.306 -1.316 3.353 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 17 . 4110 . 1 1 6 GLN HA H -2.530 -2.585 2.766 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 17 . 4111 . 1 1 6 GLN HB2 H -4.490 -3.520 0.671 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4112 . 1 1 6 GLN HB3 H -2.873 -4.193 0.813 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4113 . 1 1 6 GLN HE21 H -5.072 -5.067 4.727 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 17 . 4114 . 1 1 6 GLN HE22 H -6.672 -4.430 4.574 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 17 . 4115 . 1 1 6 GLN HG2 H -4.220 -5.681 1.981 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4116 . 1 1 6 GLN HG3 H -3.482 -4.695 3.239 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4117 . 1 1 6 GLN N N -4.260 -1.530 2.397 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 17 . 4118 . 1 1 6 GLN NE2 N -5.791 -4.644 4.207 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 17 . 4119 . 1 1 6 GLN O O -2.554 -1.799 -0.338 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 17 . 4120 . 1 1 6 GLN OE1 O -6.399 -3.809 2.225 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 17 . 4121 . 1 1 7 . C C 0.567 -0.822 -0.160 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 17 . 4122 . 1 1 7 . CA C -0.579 -0.019 0.462 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 17 . 4123 . 1 1 7 . CB C -0.045 1.190 1.234 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 17 . 4124 . 1 1 7 . CG C 0.853 0.839 2.407 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 17 . 4125 . 1 1 7 . H H -1.250 -0.807 2.310 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 17 . 4126 . 1 1 7 . HA H -1.211 0.339 -0.328 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 17 . 4127 . 1 1 7 . HB2 H -0.883 1.756 1.611 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4128 . 1 1 7 . HB3 H 0.519 1.811 0.555 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4129 . 1 1 7 . HD1 H 2.250 -0.388 1.430 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 17 . 4130 . 1 1 7 . HG2 H 0.402 0.032 2.963 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4131 . 1 1 7 . HG3 H 0.942 1.705 3.035 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4132 . 1 1 7 . N N -1.399 -0.846 1.339 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 17 . 4133 . 1 1 7 . ND N 2.179 0.430 1.968 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 17 . 4134 . 1 1 7 . O O 1.471 -0.249 -0.775 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 17 . 4135 . 1 1 8 SER C C 2.750 -3.141 0.302 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 17 . 4136 . 1 1 8 SER CA C 1.470 -3.107 -0.519 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 17 . 4137 . 1 1 8 SER CB C 1.816 -2.820 -1.990 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 17 . 4138 . 1 1 8 SER H H -0.218 -2.492 0.591 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 17 . 4139 . 1 1 8 SER HA H 1.008 -4.081 -0.461 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 17 . 4140 . 1 1 8 SER HB2 H 2.038 -3.748 -2.493 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4141 . 1 1 8 SER HB3 H 0.971 -2.347 -2.466 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4142 . 1 1 8 SER HG H 2.665 -1.055 -1.909 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 17 . 4143 . 1 1 8 SER N N 0.509 -2.143 0.032 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 17 . 4144 . 1 1 8 SER O O 3.208 -2.122 0.826 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 17 . 4145 . 1 1 8 SER OG O 2.943 -1.961 -2.097 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 17 . 4146 . 1 1 9 MET C C 5.727 -3.891 0.255 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 17 . 4147 . 1 1 9 MET CA C 4.599 -4.512 1.076 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 17 . 4148 . 1 1 9 MET CB C 4.857 -6.006 1.296 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 17 . 4149 . 1 1 9 MET CE C 7.920 -8.075 3.241 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 17 . 4150 . 1 1 9 MET CG C 6.115 -6.310 2.095 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 17 . 4151 . 1 1 9 MET H H 2.893 -5.104 -0.018 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 17 . 4152 . 1 1 9 MET HA H 4.540 -4.017 2.033 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 17 . 4153 . 1 1 9 MET HB2 H 4.015 -6.431 1.821 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4154 . 1 1 9 MET HB3 H 4.946 -6.487 0.332 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4155 . 1 1 9 MET HE1 H 8.223 -9.092 3.441 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 17 . 4156 . 1 1 9 MET HE2 H 7.768 -7.554 4.176 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 17 . 4157 . 1 1 9 MET HE3 H 8.690 -7.576 2.672 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 17 . 4158 . 1 1 9 MET HG2 H 6.965 -5.886 1.579 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4159 . 1 1 9 MET HG3 H 6.026 -5.853 3.070 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4160 . 1 1 9 MET N N 3.332 -4.326 0.393 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 17 . 4161 . 1 1 9 MET O O 6.845 -3.710 0.741 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 17 . 4162 . 1 1 9 MET SD S 6.392 -8.080 2.305 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 17 . 4163 . 1 1 10 THR C C 6.718 -1.544 -1.571 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 17 . 4164 . 1 1 10 THR CA C 6.394 -2.997 -1.903 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 17 . 4165 . 1 1 10 THR CB C 5.890 -3.105 -3.354 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 17 . 4166 . 1 1 10 THR CG2 C 7.030 -2.922 -4.340 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 17 . 4167 . 1 1 10 THR H H 4.481 -3.624 -1.294 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 17 . 4168 . 1 1 10 THR HA H 7.289 -3.583 -1.808 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 17 . 4169 . 1 1 10 THR HB H 5.150 -2.337 -3.526 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 17 . 4170 . 1 1 10 THR HG1 H 5.853 -5.071 -3.163 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 17 . 4171 . 1 1 10 THR HG21 H 7.774 -3.686 -4.173 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 17 . 4172 . 1 1 10 THR HG22 H 7.475 -1.949 -4.198 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 17 . 4173 . 1 1 10 THR HG23 H 6.651 -3.002 -5.346 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 17 . 4174 . 1 1 10 THR N N 5.411 -3.532 -0.986 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 17 . 4175 . 1 1 10 THR O O 7.726 -0.998 -2.021 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 17 . 4176 . 1 1 10 THR OG1 O 5.291 -4.392 -3.557 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 17 . 4177 . 1 1 11 GLU C C 7.265 0.507 0.652 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 17 . 4178 . 1 1 11 GLU CA C 6.112 0.449 -0.338 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 17 . 4179 . 1 1 11 GLU CB C 4.860 1.049 0.293 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 17 . 4180 . 1 1 11 GLU CD C 3.285 1.081 2.248 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 17 . 4181 . 1 1 11 GLU CG C 4.538 0.487 1.666 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 17 . 4182 . 1 1 11 GLU H H 5.077 -1.401 -0.438 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 17 . 4183 . 1 1 11 GLU HA H 6.376 1.019 -1.211 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 17 . 4184 . 1 1 11 GLU HB2 H 4.996 2.112 0.387 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4185 . 1 1 11 GLU HB3 H 4.017 0.859 -0.356 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4186 . 1 1 11 GLU HG2 H 4.406 -0.581 1.584 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 17 . 4187 . 1 1 11 GLU HG3 H 5.356 0.694 2.330 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 17 . 4188 . 1 1 11 GLU N N 5.874 -0.926 -0.757 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 17 . 4189 . 1 1 11 GLU O O 7.896 1.547 0.835 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 17 . 4190 . 1 1 11 GLU OE1 O 3.320 2.097 2.946 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 17 . 4191 . 1 1 12 PHE C C 9.914 -1.097 1.648 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 17 . 4192 . 1 1 12 PHE CA C 8.586 -0.715 2.286 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 17 . 4193 . 1 1 12 PHE CB C 8.209 -1.739 3.359 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 17 . 4194 . 1 1 12 PHE CD1 C 5.762 -2.148 3.725 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 17 . 4195 . 1 1 12 PHE CD2 C 6.829 -0.448 5.009 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 17 . 4196 . 1 1 12 PHE CE1 C 4.562 -1.874 4.351 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 17 . 4197 . 1 1 12 PHE CE2 C 5.632 -0.170 5.640 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 17 . 4198 . 1 1 12 PHE CG C 6.908 -1.440 4.047 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 17 . 4199 . 1 1 12 PHE CZ C 4.497 -0.884 5.310 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 17 . 4200 . 1 1 12 PHE H H 7.035 -1.432 1.044 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 17 . 4201 . 1 1 12 PHE HA H 8.685 0.257 2.746 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 17 . 4202 . 1 1 12 PHE HB2 H 8.125 -2.712 2.902 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4203 . 1 1 12 PHE HB3 H 8.985 -1.764 4.109 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4204 . 1 1 12 PHE HD1 H 5.815 -2.923 2.976 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 17 . 4205 . 1 1 12 PHE HD2 H 7.716 0.110 5.267 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4206 . 1 1 12 PHE HE1 H 3.675 -2.433 4.091 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 17 . 4207 . 1 1 12 PHE HE2 H 5.585 0.604 6.389 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 17 . 4208 . 1 1 12 PHE HZ H 3.559 -0.668 5.801 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 17 . 4209 . 1 1 12 PHE N N 7.542 -0.628 1.278 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 17 . 4210 . 1 1 12 PHE O O 10.908 -1.311 2.341 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 17 . 4211 . 1 1 13 TYR C C 12.041 -0.321 -0.504 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 17 . 4212 . 1 1 13 TYR CA C 11.139 -1.541 -0.388 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 17 . 4213 . 1 1 13 TYR CB C 10.816 -2.097 -1.778 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 17 . 4214 . 1 1 13 TYR CD1 C 12.811 -1.880 -3.315 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 17 . 4215 . 1 1 13 TYR CD2 C 12.374 -4.004 -2.325 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 17 . 4216 . 1 1 13 TYR CE1 C 13.916 -2.401 -3.957 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 17 . 4217 . 1 1 13 TYR CE2 C 13.478 -4.533 -2.965 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 17 . 4218 . 1 1 13 TYR CG C 12.022 -2.670 -2.489 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 17 . 4219 . 1 1 13 TYR CZ C 14.246 -3.726 -3.779 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 17 . 4220 . 1 1 13 TYR H H 9.105 -1.013 -0.178 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 17 . 4221 . 1 1 13 TYR HA H 11.652 -2.299 0.184 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 17 . 4222 . 1 1 13 TYR HB2 H 10.081 -2.882 -1.684 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4223 . 1 1 13 TYR HB3 H 10.414 -1.303 -2.391 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4224 . 1 1 13 TYR HD1 H 12.551 -0.842 -3.452 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 17 . 4225 . 1 1 13 TYR HD2 H 11.772 -4.633 -1.687 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4226 . 1 1 13 TYR HE1 H 14.517 -1.769 -4.594 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 17 . 4227 . 1 1 13 TYR HE2 H 13.736 -5.572 -2.824 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 17 . 4228 . 1 1 13 TYR HH H 15.098 -5.057 -4.879 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 17 . 4229 . 1 1 13 TYR N N 9.926 -1.191 0.327 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 17 . 4230 . 1 1 13 TYR O O 11.705 0.652 -1.181 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 17 . 4231 . 1 1 13 TYR OH O 15.351 -4.249 -4.414 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 17 . 4232 . 1 1 14 HIS C C 15.071 0.532 -1.040 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 17 . 4233 . 1 1 14 HIS CA C 14.132 0.720 0.139 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 17 . 4234 . 1 1 14 HIS CB C 14.930 0.799 1.444 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 17 . 4235 . 1 1 14 HIS CD2 C 13.182 0.541 3.341 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 17 . 4236 . 1 1 14 HIS CE1 C 13.363 2.539 4.218 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 17 . 4237 . 1 1 14 HIS CG C 14.110 1.215 2.625 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 17 . 4238 . 1 1 14 HIS H H 13.360 -1.157 0.733 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 17 . 4239 . 1 1 14 HIS HA H 13.586 1.641 0.003 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 17 . 4240 . 1 1 14 HIS HB2 H 15.350 -0.172 1.659 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 17 . 4241 . 1 1 14 HIS HB3 H 15.732 1.513 1.324 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 17 . 4242 . 1 1 14 HIS HD1 H 14.797 3.189 2.910 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 17 . 4243 . 1 1 14 HIS HD2 H 12.855 -0.476 3.171 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 17 . 4244 . 1 1 14 HIS HE1 H 13.215 3.398 4.853 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 17 . 4245 . 1 1 14 HIS HE2 H 12.071 1.163 5.011 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 17 . 4246 . 1 1 14 HIS N N 13.167 -0.365 0.186 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 17 . 4247 . 1 1 14 HIS ND1 N 14.200 2.464 3.201 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 17 . 4248 . 1 1 14 HIS NE2 N 12.734 1.386 4.322 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 17 . 4249 . 1 1 14 HIS O O 15.982 -0.316 -0.940 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 17 . 4250 . 1 1 14 HIS OXT O 14.894 1.225 -2.060 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 18 . 4251 . 1 1 1 GLY C C -13.004 5.418 3.115 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 18 . 4252 . 1 1 1 GLY CA C -13.218 6.879 2.787 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 18 . 4253 . 1 1 1 GLY H1 H -12.176 6.832 0.984 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 18 . 4254 . 1 1 1 GLY H2 H -13.198 8.162 1.147 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 18 . 4255 . 1 1 1 GLY H3 H -13.846 6.638 0.813 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 18 . 4256 . 1 1 1 GLY HA2 H -12.479 7.467 3.312 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 18 . 4257 . 1 1 1 GLY HA3 H -14.202 7.173 3.121 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 18 . 4258 . 1 1 1 GLY N N -13.102 7.146 1.331 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 18 . 4259 . 1 1 1 GLY O O -11.961 5.036 3.648 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 18 . 4260 . 1 1 2 ARG C C -13.405 2.422 1.809 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 18 . 4261 . 1 1 2 ARG CA C -13.893 3.162 3.051 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 18 . 4262 . 1 1 2 ARG CB C -15.249 2.621 3.505 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 18 . 4263 . 1 1 2 ARG CD C -16.526 0.814 4.687 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 18 . 4264 . 1 1 2 ARG CG C -15.176 1.244 4.146 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 18 . 4265 . 1 1 2 ARG CZ C -18.132 1.526 6.419 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 18 . 4266 . 1 1 2 ARG H H -14.792 4.947 2.360 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 18 . 4267 . 1 1 2 ARG HA H -13.175 3.018 3.844 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 18 . 4268 . 1 1 2 ARG HB2 H -15.677 3.307 4.221 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4269 . 1 1 2 ARG HB3 H -15.902 2.559 2.647 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4270 . 1 1 2 ARG HD2 H -17.237 0.804 3.875 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4271 . 1 1 2 ARG HD3 H -16.436 -0.180 5.098 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 18 . 4272 . 1 1 2 ARG HE H -16.458 2.512 5.929 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 18 . 4273 . 1 1 2 ARG HG2 H -14.850 0.529 3.404 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4274 . 1 1 2 ARG HG3 H -14.464 1.273 4.958 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4275 . 1 1 2 ARG HH11 H -18.643 -0.169 5.438 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 18 . 4276 . 1 1 2 ARG HH12 H -19.752 0.335 6.672 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 18 . 4277 . 1 1 2 ARG HH21 H -17.916 3.185 7.565 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 18 . 4278 . 1 1 2 ARG HH22 H -19.335 2.238 7.885 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 18 . 4279 . 1 1 2 ARG N N -13.983 4.589 2.784 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 18 . 4280 . 1 1 2 ARG NE N -17.009 1.718 5.730 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 18 . 4281 . 1 1 2 ARG NH1 N -18.902 0.480 6.156 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 18 . 4282 . 1 1 2 ARG NH2 N -18.489 2.385 7.364 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 18 . 4283 . 1 1 2 ARG O O -13.944 1.382 1.426 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 18 . 4284 . 1 1 3 LYS C C -10.249 2.379 0.233 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 18 . 4285 . 1 1 3 LYS CA C -11.758 2.354 0.028 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 18 . 4286 . 1 1 3 LYS CB C -12.143 3.071 -1.272 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 18 . 4287 . 1 1 3 LYS CD C -11.940 3.150 -3.782 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 18 . 4288 . 1 1 3 LYS CE C -11.471 2.408 -5.023 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 18 . 4289 . 1 1 3 LYS CG C -11.737 2.313 -2.530 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 18 . 4290 . 1 1 3 LYS H H -12.051 3.849 1.488 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 18 . 4291 . 1 1 3 LYS HA H -12.091 1.327 -0.016 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 18 . 4292 . 1 1 3 LYS HB2 H -13.215 3.207 -1.290 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4293 . 1 1 3 LYS HB3 H -11.667 4.040 -1.290 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4294 . 1 1 3 LYS HD2 H -12.990 3.379 -3.886 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4295 . 1 1 3 LYS HD3 H -11.377 4.066 -3.687 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 18 . 4296 . 1 1 3 LYS HE2 H -10.444 2.110 -4.882 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 18 . 4297 . 1 1 3 LYS HE3 H -12.084 1.529 -5.153 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 18 . 4298 . 1 1 3 LYS HG2 H -10.693 2.048 -2.454 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4299 . 1 1 3 LYS HG3 H -12.332 1.415 -2.606 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4300 . 1 1 3 LYS HZ1 H -11.238 2.707 -7.078 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 18 . 4301 . 1 1 3 LYS HZ2 H -10.971 4.092 -6.148 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 18 . 4302 . 1 1 3 LYS HZ3 H -12.547 3.542 -6.408 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 18 . 4303 . 1 1 3 LYS N N -12.392 2.983 1.173 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 18 . 4304 . 1 1 3 LYS NZ N -11.564 3.246 -6.249 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 18 . 4305 . 1 1 3 LYS O O -9.476 2.673 -0.679 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 18 . 4306 . 1 1 4 ARG C C -7.760 0.836 1.261 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 18 . 4307 . 1 1 4 ARG CA C -8.428 2.086 1.804 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 18 . 4308 . 1 1 4 ARG CB C -8.234 2.190 3.319 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 18 . 4309 . 1 1 4 ARG CD C -8.325 3.661 5.363 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 18 . 4310 . 1 1 4 ARG CG C -8.659 3.535 3.885 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 18 . 4311 . 1 1 4 ARG CZ C -8.969 2.632 7.510 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 18 . 4312 . 1 1 4 ARG H H -10.499 1.862 2.143 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 18 . 4313 . 1 1 4 ARG HA H -7.975 2.945 1.336 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 18 . 4314 . 1 1 4 ARG HB2 H -8.815 1.418 3.801 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4315 . 1 1 4 ARG HB3 H -7.190 2.041 3.549 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4316 . 1 1 4 ARG HD2 H -7.275 3.454 5.497 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4317 . 1 1 4 ARG HD3 H -8.535 4.672 5.680 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 18 . 4318 . 1 1 4 ARG HE H -9.758 2.162 5.733 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 18 . 4319 . 1 1 4 ARG HG2 H -8.148 4.319 3.346 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4320 . 1 1 4 ARG HG3 H -9.726 3.647 3.757 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4321 . 1 1 4 ARG HH11 H -7.504 4.022 7.644 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 18 . 4322 . 1 1 4 ARG HH12 H -7.991 3.313 9.149 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 18 . 4323 . 1 1 4 ARG HH21 H -10.392 1.205 7.706 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 18 . 4324 . 1 1 4 ARG HH22 H -9.623 1.695 9.183 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 18 . 4325 . 1 1 4 ARG N N -9.837 2.090 1.458 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 18 . 4326 . 1 1 4 ARG NE N -9.099 2.735 6.189 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 18 . 4327 . 1 1 4 ARG NH1 N -8.083 3.379 8.152 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 18 . 4328 . 1 1 4 ARG NH2 N -9.722 1.778 8.187 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 18 . 4329 . 1 1 4 ARG O O -7.840 -0.239 1.857 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 18 . 4330 . 1 1 5 ARG C C -4.947 -0.023 -0.220 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 18 . 4331 . 1 1 5 ARG CA C -6.434 -0.123 -0.528 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 18 . 4332 . 1 1 5 ARG CB C -6.665 -0.123 -2.043 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 18 . 4333 . 1 1 5 ARG CD C -8.708 -1.614 -2.095 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 18 . 4334 . 1 1 5 ARG CG C -8.126 -0.255 -2.458 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 18 . 4335 . 1 1 5 ARG CZ C -9.110 -2.905 -0.029 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 18 . 4336 . 1 1 5 ARG H H -7.164 1.851 -0.349 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 18 . 4337 . 1 1 5 ARG HA H -6.817 -1.043 -0.111 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 18 . 4338 . 1 1 5 ARG HB2 H -6.284 0.800 -2.451 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4339 . 1 1 5 ARG HB3 H -6.116 -0.946 -2.475 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4340 . 1 1 5 ARG HD2 H -9.628 -1.754 -2.642 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4341 . 1 1 5 ARG HD3 H -8.003 -2.380 -2.383 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 18 . 4342 . 1 1 5 ARG HE H -9.103 -0.909 -0.155 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 18 . 4343 . 1 1 5 ARG HG2 H -8.699 0.511 -1.960 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4344 . 1 1 5 ARG HG3 H -8.197 -0.118 -3.528 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4345 . 1 1 5 ARG HH11 H -8.700 -4.040 -1.656 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 18 . 4346 . 1 1 5 ARG HH12 H -9.022 -4.922 -0.198 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 18 . 4347 . 1 1 5 ARG HH21 H -9.533 -2.064 1.763 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 18 . 4348 . 1 1 5 ARG HH22 H -9.492 -3.799 1.748 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 18 . 4349 . 1 1 5 ARG N N -7.143 0.978 0.100 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 18 . 4350 . 1 1 5 ARG NE N -8.987 -1.741 -0.665 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 18 . 4351 . 1 1 5 ARG NH1 N -8.931 -4.046 -0.679 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 18 . 4352 . 1 1 5 ARG NH2 N -9.402 -2.925 1.263 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 18 . 4353 . 1 1 5 ARG O O -4.184 0.602 -0.961 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 18 . 4354 . 1 1 6 GLN C C -2.385 -1.671 0.512 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 18 . 4355 . 1 1 6 GLN CA C -3.156 -0.623 1.301 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 18 . 4356 . 1 1 6 GLN CB C -3.052 -0.899 2.805 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 18 . 4357 . 1 1 6 GLN CD C -1.559 -1.160 4.824 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 18 . 4358 . 1 1 6 GLN CG C -1.628 -0.874 3.337 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 18 . 4359 . 1 1 6 GLN H H -5.211 -1.092 1.441 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 18 . 4360 . 1 1 6 GLN HA H -2.745 0.351 1.089 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 18 . 4361 . 1 1 6 GLN HB2 H -3.625 -0.154 3.335 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4362 . 1 1 6 GLN HB3 H -3.473 -1.874 3.008 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4363 . 1 1 6 GLN HE21 H -1.728 0.778 5.232 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 18 . 4364 . 1 1 6 GLN HE22 H -1.600 -0.275 6.599 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 18 . 4365 . 1 1 6 GLN HG2 H -1.049 -1.620 2.815 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4366 . 1 1 6 GLN HG3 H -1.208 0.103 3.153 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4367 . 1 1 6 GLN N N -4.549 -0.624 0.888 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 18 . 4368 . 1 1 6 GLN NE2 N -1.636 -0.116 5.633 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 18 . 4369 . 1 1 6 GLN O O -2.661 -2.866 0.620 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 18 . 4370 . 1 1 6 GLN OE1 O -1.433 -2.310 5.242 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 18 . 4371 . 1 1 7 . C C 0.580 -2.602 -0.328 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 18 . 4372 . 1 1 7 . CA C -0.642 -2.138 -1.100 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 18 . 4373 . 1 1 7 . CB C -0.252 -1.510 -2.443 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 18 . 4374 . 1 1 7 . CG C 0.450 -0.168 -2.341 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 18 . 4375 . 1 1 7 . H H -1.262 -0.258 -0.346 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 18 . 4376 . 1 1 7 . HA H -1.253 -2.997 -1.297 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 18 . 4377 . 1 1 7 . HB2 H -1.147 -1.376 -3.033 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4378 . 1 1 7 . HB3 H 0.406 -2.189 -2.964 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4379 . 1 1 7 . HD1 H 2.120 -0.816 -1.227 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 18 . 4380 . 1 1 7 . HG2 H -0.038 0.418 -1.575 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4381 . 1 1 7 . HG3 H 0.352 0.334 -3.286 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4382 . 1 1 7 . N N -1.437 -1.223 -0.298 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 18 . 4383 . 1 1 7 . ND N 1.871 -0.283 -2.014 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 18 . 4384 . 1 1 7 . O O 0.752 -2.240 0.836 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 18 . 4385 . 1 1 8 SER C C 3.401 -2.877 0.376 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 18 . 4386 . 1 1 8 SER CA C 2.618 -3.952 -0.370 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 18 . 4387 . 1 1 8 SER CB C 3.504 -4.570 -1.453 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 18 . 4388 . 1 1 8 SER H H 1.199 -3.659 -1.904 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 18 . 4389 . 1 1 8 SER HA H 2.324 -4.722 0.326 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 18 . 4390 . 1 1 8 SER HB2 H 3.019 -5.448 -1.853 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4391 . 1 1 8 SER HB3 H 3.655 -3.852 -2.246 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4392 . 1 1 8 SER HG H 4.715 -5.858 -0.610 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 18 . 4393 . 1 1 8 SER N N 1.409 -3.412 -0.978 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 18 . 4394 . 1 1 8 SER O O 3.591 -1.770 -0.117 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 18 . 4395 . 1 1 8 SER OG O 4.765 -4.946 -0.929 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 18 . 4396 . 1 1 9 MET C C 6.072 -2.248 1.706 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 18 . 4397 . 1 1 9 MET CA C 4.694 -2.319 2.342 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 18 . 4398 . 1 1 9 MET CB C 4.800 -2.782 3.794 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 18 . 4399 . 1 1 9 MET CE C 1.813 -0.733 5.863 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 18 . 4400 . 1 1 9 MET CG C 3.560 -2.486 4.621 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 18 . 4401 . 1 1 9 MET H H 3.592 -4.082 1.953 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 18 . 4402 . 1 1 9 MET HA H 4.248 -1.336 2.316 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 18 . 4403 . 1 1 9 MET HB2 H 4.969 -3.848 3.808 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4404 . 1 1 9 MET HB3 H 5.641 -2.287 4.257 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4405 . 1 1 9 MET HE1 H 1.540 0.280 6.119 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 18 . 4406 . 1 1 9 MET HE2 H 1.997 -1.297 6.767 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 18 . 4407 . 1 1 9 MET HE3 H 1.009 -1.193 5.310 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 18 . 4408 . 1 1 9 MET HG2 H 2.700 -2.899 4.115 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4409 . 1 1 9 MET HG3 H 3.667 -2.953 5.588 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4410 . 1 1 9 MET N N 3.844 -3.211 1.576 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 18 . 4411 . 1 1 9 MET O O 6.757 -1.230 1.798 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 18 . 4412 . 1 1 9 MET SD S 3.296 -0.716 4.861 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 18 . 4413 . 1 1 10 THR C C 7.710 -2.622 -0.968 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 18 . 4414 . 1 1 10 THR CA C 7.753 -3.366 0.364 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 18 . 4415 . 1 1 10 THR CB C 8.247 -4.813 0.156 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 18 . 4416 . 1 1 10 THR CG2 C 8.907 -5.348 1.417 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 18 . 4417 . 1 1 10 THR H H 5.868 -4.103 0.975 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 18 . 4418 . 1 1 10 THR HA H 8.461 -2.864 1.006 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 18 . 4419 . 1 1 10 THR HB H 8.978 -4.815 -0.642 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 18 . 4420 . 1 1 10 THR HG1 H 6.547 -5.179 -0.787 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 18 . 4421 . 1 1 10 THR HG21 H 9.746 -4.719 1.678 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 18 . 4422 . 1 1 10 THR HG22 H 9.253 -6.356 1.242 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 18 . 4423 . 1 1 10 THR HG23 H 8.192 -5.348 2.225 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 18 . 4424 . 1 1 10 THR N N 6.464 -3.325 1.032 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 18 . 4425 . 1 1 10 THR O O 8.709 -2.555 -1.680 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 18 . 4426 . 1 1 10 THR OG1 O 7.157 -5.664 -0.213 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 18 . 4427 . 1 1 11 GLU C C 7.065 0.158 -2.097 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 18 . 4428 . 1 1 11 GLU CA C 6.456 -1.191 -2.472 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 18 . 4429 . 1 1 11 GLU CB C 5.001 -1.016 -2.940 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 18 . 4430 . 1 1 11 GLU CD C 2.834 0.302 -2.711 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 18 . 4431 . 1 1 11 GLU CG C 4.247 0.087 -2.211 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 18 . 4432 . 1 1 11 GLU H H 5.739 -2.282 -0.803 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 18 . 4433 . 1 1 11 GLU HA H 7.039 -1.623 -3.266 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 18 . 4434 . 1 1 11 GLU HB2 H 5.001 -0.788 -3.992 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4435 . 1 1 11 GLU HB3 H 4.473 -1.944 -2.784 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4436 . 1 1 11 GLU HG2 H 4.198 -0.169 -1.164 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 18 . 4437 . 1 1 11 GLU HG3 H 4.790 1.008 -2.320 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 18 . 4438 . 1 1 11 GLU N N 6.545 -2.078 -1.320 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 18 . 4439 . 1 1 11 GLU O O 7.605 0.876 -2.939 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 18 . 4440 . 1 1 11 GLU OE1 O 2.613 1.036 -3.677 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 18 . 4441 . 1 1 12 PHE C C 8.923 1.501 0.251 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 18 . 4442 . 1 1 12 PHE CA C 7.516 1.725 -0.282 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 18 . 4443 . 1 1 12 PHE CB C 6.637 2.269 0.850 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 18 . 4444 . 1 1 12 PHE CD1 C 4.214 1.670 1.065 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 18 . 4445 . 1 1 12 PHE CD2 C 4.819 3.406 -0.454 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 18 . 4446 . 1 1 12 PHE CE1 C 2.886 1.835 0.730 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 18 . 4447 . 1 1 12 PHE CE2 C 3.490 3.575 -0.794 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 18 . 4448 . 1 1 12 PHE CG C 5.195 2.453 0.477 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 18 . 4449 . 1 1 12 PHE CZ C 2.522 2.788 -0.201 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 18 . 4450 . 1 1 12 PHE H H 6.535 -0.148 -0.204 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 18 . 4451 . 1 1 12 PHE HA H 7.552 2.446 -1.083 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 18 . 4452 . 1 1 12 PHE HB2 H 6.677 1.587 1.685 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4453 . 1 1 12 PHE HB3 H 7.025 3.229 1.161 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4454 . 1 1 12 PHE HD1 H 4.496 0.924 1.793 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 18 . 4455 . 1 1 12 PHE HD2 H 5.576 4.022 -0.917 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4456 . 1 1 12 PHE HE1 H 2.132 1.218 1.196 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 18 . 4457 . 1 1 12 PHE HE2 H 3.209 4.320 -1.522 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 18 . 4458 . 1 1 12 PHE HZ H 1.484 2.919 -0.464 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 18 . 4459 . 1 1 12 PHE N N 6.972 0.481 -0.813 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 18 . 4460 . 1 1 12 PHE O O 9.870 2.190 -0.136 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 18 . 4461 . 1 1 13 TYR C C 11.165 -0.665 0.915 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 18 . 4462 . 1 1 13 TYR CA C 10.310 0.231 1.801 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 18 . 4463 . 1 1 13 TYR CB C 10.066 -0.446 3.152 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 18 . 4464 . 1 1 13 TYR CD1 C 7.892 -0.059 4.371 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 18 . 4465 . 1 1 13 TYR CD2 C 9.643 1.528 4.666 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 18 . 4466 . 1 1 13 TYR CE1 C 7.080 0.674 5.212 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 18 . 4467 . 1 1 13 TYR CE2 C 8.837 2.266 5.509 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 18 . 4468 . 1 1 13 TYR CG C 9.185 0.355 4.082 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 18 . 4469 . 1 1 13 TYR CZ C 7.557 1.833 5.781 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 18 . 4470 . 1 1 13 TYR H H 8.250 0.007 1.393 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 18 . 4471 . 1 1 13 TYR HA H 10.833 1.161 1.965 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 18 . 4472 . 1 1 13 TYR HB2 H 9.591 -1.401 2.987 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4473 . 1 1 13 TYR HB3 H 11.015 -0.603 3.645 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4474 . 1 1 13 TYR HD1 H 7.520 -0.969 3.925 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 18 . 4475 . 1 1 13 TYR HD2 H 10.646 1.865 4.451 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4476 . 1 1 13 TYR HE1 H 6.078 0.334 5.422 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 18 . 4477 . 1 1 13 TYR HE2 H 9.213 3.176 5.955 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 18 . 4478 . 1 1 13 TYR HH H 6.512 2.028 7.385 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 18 . 4479 . 1 1 13 TYR N N 9.042 0.537 1.157 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 18 . 4480 . 1 1 13 TYR O O 10.831 -0.912 -0.245 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 18 . 4481 . 1 1 13 TYR OH O 6.747 2.567 6.619 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 18 . 4482 . 1 1 14 HIS C C 13.824 -3.005 1.698 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 18 . 4483 . 1 1 14 HIS CA C 13.189 -2.008 0.745 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 18 . 4484 . 1 1 14 HIS CB C 14.284 -1.166 0.077 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 18 . 4485 . 1 1 14 HIS CD2 C 13.633 -0.639 -2.376 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 18 . 4486 . 1 1 14 HIS CE1 C 13.069 1.462 -2.117 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 18 . 4487 . 1 1 14 HIS CG C 13.806 -0.331 -1.070 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 18 . 4488 . 1 1 14 HIS H H 12.447 -0.951 2.414 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 18 . 4489 . 1 1 14 HIS HA H 12.636 -2.544 -0.013 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 18 . 4490 . 1 1 14 HIS HB2 H 14.711 -0.500 0.811 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 18 . 4491 . 1 1 14 HIS HB3 H 15.056 -1.824 -0.291 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 18 . 4492 . 1 1 14 HIS HD1 H 13.454 1.516 -0.107 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 18 . 4493 . 1 1 14 HIS HD2 H 13.823 -1.596 -2.838 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 18 . 4494 . 1 1 14 HIS HE1 H 12.733 2.467 -2.319 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 18 . 4495 . 1 1 14 HIS HE2 H 12.859 0.538 -3.933 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 18 . 4496 . 1 1 14 HIS N N 12.257 -1.161 1.475 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 18 . 4497 . 1 1 14 HIS ND1 N 13.444 0.994 -0.941 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 18 . 4498 . 1 1 14 HIS NE2 N 13.175 0.492 -3.003 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 18 . 4499 . 1 1 14 HIS O O 13.368 -4.164 1.740 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 18 . 4500 . 1 1 14 HIS OXT O 14.761 -2.618 2.425 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 19 . 4501 . 1 1 1 GLY C C -7.705 5.980 2.344 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 19 . 4502 . 1 1 1 GLY CA C -7.148 7.101 3.194 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 19 . 4503 . 1 1 1 GLY H1 H -5.498 8.371 3.264 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 19 . 4504 . 1 1 1 GLY H2 H -5.906 7.860 1.706 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 19 . 4505 . 1 1 1 GLY H3 H -5.135 6.799 2.768 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 19 . 4506 . 1 1 1 GLY HA2 H -7.038 6.751 4.208 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 19 . 4507 . 1 1 1 GLY HA3 H -7.840 7.930 3.181 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 19 . 4508 . 1 1 1 GLY N N -5.831 7.566 2.700 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 19 . 4509 . 1 1 1 GLY O O -7.613 6.026 1.117 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 19 . 4510 . 1 1 2 ARG C C -7.821 2.999 1.610 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 19 . 4511 . 1 1 2 ARG CA C -8.883 3.821 2.338 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 19 . 4512 . 1 1 2 ARG CB C -9.973 4.274 1.357 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 19 . 4513 . 1 1 2 ARG CD C -11.854 2.780 2.085 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 19 . 4514 . 1 1 2 ARG CG C -10.928 3.166 0.942 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 19 . 4515 . 1 1 2 ARG CZ C -13.223 4.045 3.713 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 19 . 4516 . 1 1 2 ARG H H -8.273 4.996 3.988 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 19 . 4517 . 1 1 2 ARG HA H -9.333 3.202 3.100 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 19 . 4518 . 1 1 2 ARG HB2 H -10.550 5.061 1.819 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4519 . 1 1 2 ARG HB3 H -9.500 4.663 0.468 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4520 . 1 1 2 ARG HD2 H -12.476 1.956 1.767 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4521 . 1 1 2 ARG HD3 H -11.255 2.472 2.928 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 19 . 4522 . 1 1 2 ARG HE H -12.925 4.569 1.800 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 19 . 4523 . 1 1 2 ARG HG2 H -11.524 3.509 0.109 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4524 . 1 1 2 ARG HG3 H -10.356 2.300 0.644 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4525 . 1 1 2 ARG HH11 H -12.341 2.389 4.482 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 19 . 4526 . 1 1 2 ARG HH12 H -13.331 3.281 5.590 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 19 . 4527 . 1 1 2 ARG HH21 H -14.211 5.760 3.268 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 19 . 4528 . 1 1 2 ARG HH22 H -14.394 5.202 4.900 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 19 . 4529 . 1 1 2 ARG N N -8.273 4.971 3.006 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 19 . 4530 . 1 1 2 ARG NE N -12.711 3.895 2.490 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 19 . 4531 . 1 1 2 ARG NH1 N -12.942 3.168 4.672 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 19 . 4532 . 1 1 2 ARG NH2 N -14.005 5.084 3.982 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 19 . 4533 . 1 1 2 ARG O O -7.544 3.221 0.431 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 19 . 4534 . 1 1 3 LYS C C -6.545 -0.251 1.793 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 19 . 4535 . 1 1 3 LYS CA C -6.168 1.228 1.757 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 19 . 4536 . 1 1 3 LYS CB C -4.850 1.469 2.508 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 19 . 4537 . 1 1 3 LYS CD C -3.610 1.450 4.705 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 19 . 4538 . 1 1 3 LYS CE C -3.075 2.869 4.602 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 19 . 4539 . 1 1 3 LYS CG C -4.959 1.298 4.017 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 19 . 4540 . 1 1 3 LYS H H -7.512 1.899 3.250 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 19 . 4541 . 1 1 3 LYS HA H -6.038 1.523 0.727 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 19 . 4542 . 1 1 3 LYS HB2 H -4.109 0.774 2.144 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4543 . 1 1 3 LYS HB3 H -4.516 2.474 2.306 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4544 . 1 1 3 LYS HD2 H -3.720 1.194 5.748 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4545 . 1 1 3 LYS HD3 H -2.905 0.776 4.242 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 19 . 4546 . 1 1 3 LYS HE2 H -2.103 2.908 5.071 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 19 . 4547 . 1 1 3 LYS HE3 H -2.979 3.127 3.559 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 19 . 4548 . 1 1 3 LYS HG2 H -5.634 2.045 4.406 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4549 . 1 1 3 LYS HG3 H -5.351 0.314 4.229 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4550 . 1 1 3 LYS HZ1 H -3.551 4.806 5.221 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 19 . 4551 . 1 1 3 LYS HZ2 H -4.110 3.599 6.265 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 19 . 4552 . 1 1 3 LYS HZ3 H -4.896 3.875 4.793 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 19 . 4553 . 1 1 3 LYS N N -7.229 2.053 2.321 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 19 . 4554 . 1 1 3 LYS NZ N -3.970 3.855 5.266 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 19 . 4555 . 1 1 3 LYS O O -5.824 -1.081 2.347 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 19 . 4556 . 1 1 4 ARG C C -7.715 -2.657 -0.116 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 19 . 4557 . 1 1 4 ARG CA C -8.133 -1.969 1.175 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 19 . 4558 . 1 1 4 ARG CB C -9.650 -2.051 1.348 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 19 . 4559 . 1 1 4 ARG CD C -11.611 -1.853 2.907 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 19 . 4560 . 1 1 4 ARG CG C -10.124 -1.602 2.717 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 19 . 4561 . 1 1 4 ARG CZ C -13.546 -0.456 2.282 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 19 . 4562 . 1 1 4 ARG H H -8.216 0.109 0.758 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 19 . 4563 . 1 1 4 ARG HA H -7.662 -2.479 2.002 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 19 . 4564 . 1 1 4 ARG HB2 H -10.119 -1.427 0.603 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4565 . 1 1 4 ARG HB3 H -9.963 -3.074 1.199 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4566 . 1 1 4 ARG HD2 H -11.804 -2.907 2.772 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4567 . 1 1 4 ARG HD3 H -11.884 -1.565 3.909 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 19 . 4568 . 1 1 4 ARG HE H -12.128 -1.083 1.017 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 19 . 4569 . 1 1 4 ARG HG2 H -9.579 -2.147 3.474 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4570 . 1 1 4 ARG HG3 H -9.931 -0.544 2.824 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4571 . 1 1 4 ARG HH11 H -13.453 -0.931 4.249 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 19 . 4572 . 1 1 4 ARG HH12 H -14.818 0.028 3.781 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 19 . 4573 . 1 1 4 ARG HH21 H -13.917 0.204 0.402 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 19 . 4574 . 1 1 4 ARG HH22 H -15.083 0.675 1.600 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 19 . 4575 . 1 1 4 ARG N N -7.679 -0.585 1.197 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 19 . 4576 . 1 1 4 ARG NE N -12.427 -1.099 1.956 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 19 . 4577 . 1 1 4 ARG NH1 N -13.972 -0.452 3.537 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 19 . 4578 . 1 1 4 ARG NH2 N -14.235 0.193 1.355 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 19 . 4579 . 1 1 4 ARG O O -7.539 -3.873 -0.153 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 19 . 4580 . 1 1 5 ARG C C -5.608 -2.423 -2.535 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 19 . 4581 . 1 1 5 ARG CA C -7.129 -2.404 -2.459 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 19 . 4582 . 1 1 5 ARG CB C -7.692 -1.551 -3.598 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 19 . 4583 . 1 1 5 ARG CD C -7.749 -1.111 -6.072 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 19 . 4584 . 1 1 5 ARG CG C -7.388 -2.102 -4.980 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 19 . 4585 . 1 1 5 ARG CZ C -6.928 1.033 -6.969 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 19 . 4586 . 1 1 5 ARG H H -7.746 -0.915 -1.090 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 19 . 4587 . 1 1 5 ARG HA H -7.499 -3.413 -2.552 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 19 . 4588 . 1 1 5 ARG HB2 H -8.763 -1.490 -3.487 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4589 . 1 1 5 ARG HB3 H -7.274 -0.558 -3.529 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4590 . 1 1 5 ARG HD2 H -7.621 -1.592 -7.031 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4591 . 1 1 5 ARG HD3 H -8.783 -0.823 -5.951 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 19 . 4592 . 1 1 5 ARG HE H -6.303 0.189 -5.263 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 19 . 4593 . 1 1 5 ARG HG2 H -6.334 -2.323 -5.045 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4594 . 1 1 5 ARG HG3 H -7.957 -3.007 -5.127 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4595 . 1 1 5 ARG HH11 H -8.353 0.135 -8.097 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 19 . 4596 . 1 1 5 ARG HH12 H -7.754 1.640 -8.718 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 19 . 4597 . 1 1 5 ARG HH21 H -5.510 2.171 -6.075 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 19 . 4598 . 1 1 5 ARG HH22 H -6.137 2.799 -7.568 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 19 . 4599 . 1 1 5 ARG N N -7.560 -1.874 -1.173 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 19 . 4600 . 1 1 5 ARG NE N -6.913 0.087 -6.031 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 19 . 4601 . 1 1 5 ARG NH1 N -7.743 0.926 -8.011 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 19 . 4602 . 1 1 5 ARG NH2 N -6.128 2.084 -6.862 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 19 . 4603 . 1 1 5 ARG O O -5.019 -3.107 -3.371 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 19 . 4604 . 1 1 6 GLN C C -2.982 -1.653 -0.248 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 19 . 4605 . 1 1 6 GLN CA C -3.539 -1.525 -1.659 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 19 . 4606 . 1 1 6 GLN CB C -3.163 -0.173 -2.268 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 19 . 4607 . 1 1 6 GLN CD C -1.343 1.354 -3.084 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 19 . 4608 . 1 1 6 GLN CG C -1.672 0.104 -2.297 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 19 . 4609 . 1 1 6 GLN H H -5.503 -1.196 -0.973 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 19 . 4610 . 1 1 6 GLN HA H -3.127 -2.314 -2.270 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 19 . 4611 . 1 1 6 GLN HB2 H -3.531 -0.136 -3.283 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4612 . 1 1 6 GLN HB3 H -3.640 0.609 -1.697 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4613 . 1 1 6 GLN HE21 H -1.540 2.467 -1.453 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 19 . 4614 . 1 1 6 GLN HE22 H -1.133 3.318 -2.903 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 19 . 4615 . 1 1 6 GLN HG2 H -1.320 0.228 -1.285 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4616 . 1 1 6 GLN HG3 H -1.168 -0.735 -2.753 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4617 . 1 1 6 GLN N N -4.981 -1.667 -1.652 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 19 . 4618 . 1 1 6 GLN NE2 N -1.335 2.492 -2.414 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 19 . 4619 . 1 1 6 GLN O O -3.438 -0.977 0.671 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 19 . 4620 . 1 1 6 GLN OE1 O -1.110 1.295 -4.292 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 19 . 4621 . 1 1 7 . C C -0.287 -1.689 1.492 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 19 . 4622 . 1 1 7 . CA C -1.359 -2.743 1.210 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 19 . 4623 . 1 1 7 . CB C -0.764 -4.155 1.272 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 19 . 4624 . 1 1 7 . CG C 0.098 -4.527 0.075 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 19 . 4625 . 1 1 7 . H H -1.677 -3.025 -0.867 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 19 . 4626 . 1 1 7 . HA H -2.124 -2.663 1.961 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 19 . 4627 . 1 1 7 . HB2 H -1.573 -4.868 1.338 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4628 . 1 1 7 . HB3 H -0.156 -4.236 2.161 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4629 . 1 1 7 . HD1 H 1.280 -2.785 0.094 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 19 . 4630 . 1 1 7 . HG2 H -0.466 -4.351 -0.827 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4631 . 1 1 7 . HG3 H 0.337 -5.571 0.147 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4632 . 1 1 7 . N N -1.991 -2.517 -0.089 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 19 . 4633 . 1 1 7 . ND N 1.340 -3.760 0.016 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 19 . 4634 . 1 1 7 . O O 0.761 -1.994 2.066 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 19 . 4635 . 1 1 8 SER C C 1.467 0.538 0.159 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 19 . 4636 . 1 1 8 SER CA C 0.340 0.681 1.177 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 19 . 4637 . 1 1 8 SER CB C 0.937 0.842 2.584 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 19 . 4638 . 1 1 8 SER H H -1.486 -0.287 0.740 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 19 . 4639 . 1 1 8 SER HA H -0.220 1.571 0.936 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 19 . 4640 . 1 1 8 SER HB2 H 1.071 1.890 2.798 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4641 . 1 1 8 SER HB3 H 0.262 0.410 3.309 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4642 . 1 1 8 SER HG H 2.053 -0.760 2.786 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 19 . 4643 . 1 1 8 SER N N -0.586 -0.451 1.096 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 19 . 4644 . 1 1 8 SER O O 2.016 -0.551 -0.053 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 19 . 4645 . 1 1 8 SER OG O 2.197 0.190 2.689 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 19 . 4646 . 1 1 9 MET C C 4.253 1.589 -0.630 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 19 . 4647 . 1 1 9 MET CA C 2.939 1.668 -1.392 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 19 . 4648 . 1 1 9 MET CB C 2.913 2.925 -2.261 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 19 . 4649 . 1 1 9 MET CE C 3.396 4.485 -4.976 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 19 . 4650 . 1 1 9 MET CG C 1.825 2.907 -3.319 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 19 . 4651 . 1 1 9 MET H H 1.317 2.477 -0.304 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 19 . 4652 . 1 1 9 MET HA H 2.852 0.799 -2.028 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 19 . 4653 . 1 1 9 MET HB2 H 2.755 3.785 -1.626 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4654 . 1 1 9 MET HB3 H 3.866 3.025 -2.758 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4655 . 1 1 9 MET HE1 H 4.128 4.526 -4.181 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 19 . 4656 . 1 1 9 MET HE2 H 3.494 5.360 -5.600 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 19 . 4657 . 1 1 9 MET HE3 H 3.561 3.598 -5.570 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 19 . 4658 . 1 1 9 MET HG2 H 2.014 2.088 -3.996 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4659 . 1 1 9 MET HG3 H 0.873 2.755 -2.832 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4660 . 1 1 9 MET N N 1.821 1.648 -0.468 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 19 . 4661 . 1 1 9 MET O O 5.323 1.469 -1.223 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 19 . 4662 . 1 1 9 MET SD S 1.749 4.436 -4.271 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 19 . 4663 . 1 1 10 THR C C 5.908 0.174 1.584 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 19 . 4664 . 1 1 10 THR CA C 5.342 1.587 1.527 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 19 . 4665 . 1 1 10 THR CB C 5.019 2.105 2.941 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 19 . 4666 . 1 1 10 THR CG2 C 6.281 2.244 3.772 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 19 . 4667 . 1 1 10 THR H H 3.280 1.658 1.123 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 19 . 4668 . 1 1 10 THR HA H 6.074 2.234 1.085 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 19 . 4669 . 1 1 10 THR HB H 4.356 1.403 3.425 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 19 . 4670 . 1 1 10 THR HG1 H 4.840 3.933 2.203 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 19 . 4671 . 1 1 10 THR HG21 H 6.764 1.282 3.854 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 19 . 4672 . 1 1 10 THR HG22 H 6.024 2.605 4.757 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 19 . 4673 . 1 1 10 THR HG23 H 6.949 2.943 3.295 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 19 . 4674 . 1 1 10 THR N N 4.165 1.623 0.694 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 19 . 4675 . 1 1 10 THR O O 7.087 -0.030 1.879 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 19 . 4676 . 1 1 10 THR OG1 O 4.371 3.381 2.845 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 19 . 4677 . 1 1 11 GLU C C 6.427 -2.469 0.062 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 19 . 4678 . 1 1 11 GLU CA C 5.503 -2.192 1.246 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 19 . 4679 . 1 1 11 GLU CB C 4.302 -3.138 1.209 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 19 . 4680 . 1 1 11 GLU CD C 2.532 -4.292 -0.149 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 19 . 4681 . 1 1 11 GLU CG C 3.680 -3.312 -0.167 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 19 . 4682 . 1 1 11 GLU H H 4.151 -0.576 0.992 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 19 . 4683 . 1 1 11 GLU HA H 6.054 -2.363 2.156 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 19 . 4684 . 1 1 11 GLU HB2 H 4.615 -4.105 1.559 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4685 . 1 1 11 GLU HB3 H 3.541 -2.756 1.874 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4686 . 1 1 11 GLU HG2 H 3.312 -2.356 -0.507 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 19 . 4687 . 1 1 11 GLU HG3 H 4.428 -3.670 -0.849 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 19 . 4688 . 1 1 11 GLU N N 5.073 -0.800 1.246 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 19 . 4689 . 1 1 11 GLU O O 7.109 -3.491 0.017 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 19 . 4690 . 1 1 11 GLU OE1 O 2.719 -5.500 -0.306 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 19 . 4691 . 1 1 12 PHE C C 8.696 -1.154 -1.782 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 19 . 4692 . 1 1 12 PHE CA C 7.306 -1.700 -2.066 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 19 . 4693 . 1 1 12 PHE CB C 6.701 -0.989 -3.278 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 19 . 4694 . 1 1 12 PHE CD1 C 4.219 -0.760 -3.517 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 19 . 4695 . 1 1 12 PHE CD2 C 5.233 -2.800 -4.213 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 19 . 4696 . 1 1 12 PHE CE1 C 2.979 -1.247 -3.879 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 19 . 4697 . 1 1 12 PHE CE2 C 3.996 -3.294 -4.576 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 19 . 4698 . 1 1 12 PHE CG C 5.358 -1.526 -3.680 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 19 . 4699 . 1 1 12 PHE CZ C 2.866 -2.517 -4.410 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 19 . 4700 . 1 1 12 PHE H H 5.894 -0.748 -0.805 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 19 . 4701 . 1 1 12 PHE HA H 7.384 -2.755 -2.282 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 19 . 4702 . 1 1 12 PHE HB2 H 6.584 0.059 -3.049 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4703 . 1 1 12 PHE HB3 H 7.369 -1.097 -4.120 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4704 . 1 1 12 PHE HD1 H 4.308 0.233 -3.105 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 19 . 4705 . 1 1 12 PHE HD2 H 6.116 -3.409 -4.344 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4706 . 1 1 12 PHE HE1 H 2.098 -0.637 -3.747 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 19 . 4707 . 1 1 12 PHE HE2 H 3.911 -4.287 -4.990 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 19 . 4708 . 1 1 12 PHE HZ H 1.898 -2.901 -4.694 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 19 . 4709 . 1 1 12 PHE N N 6.455 -1.548 -0.894 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 19 . 4710 . 1 1 12 PHE O O 9.662 -1.491 -2.466 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 19 . 4711 . 1 1 13 TYR C C 10.815 -0.745 0.551 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 19 . 4712 . 1 1 13 TYR CA C 10.072 0.244 -0.338 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 19 . 4713 . 1 1 13 TYR CB C 9.870 1.574 0.392 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 19 . 4714 . 1 1 13 TYR CD1 C 9.544 2.889 -1.744 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 19 . 4715 . 1 1 13 TYR CD2 C 8.082 3.329 0.088 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 19 . 4716 . 1 1 13 TYR CE1 C 8.890 3.843 -2.499 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 19 . 4717 . 1 1 13 TYR CE2 C 7.423 4.281 -0.662 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 19 . 4718 . 1 1 13 TYR CG C 9.150 2.615 -0.438 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 19 . 4719 . 1 1 13 TYR CZ C 7.831 4.536 -1.954 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 19 . 4720 . 1 1 13 TYR H H 7.982 -0.067 -0.264 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 19 . 4721 . 1 1 13 TYR HA H 10.660 0.416 -1.226 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 19 . 4722 . 1 1 13 TYR HB2 H 9.290 1.403 1.286 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4723 . 1 1 13 TYR HB3 H 10.833 1.976 0.665 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4724 . 1 1 13 TYR HD1 H 10.373 2.342 -2.169 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 19 . 4725 . 1 1 13 TYR HD2 H 7.767 3.131 1.101 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4726 . 1 1 13 TYR HE1 H 9.211 4.041 -3.511 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 19 . 4727 . 1 1 13 TYR HE2 H 6.593 4.824 -0.235 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 19 . 4728 . 1 1 13 TYR HH H 7.023 6.273 -2.163 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 19 . 4729 . 1 1 13 TYR N N 8.791 -0.315 -0.755 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 19 . 4730 . 1 1 13 TYR O O 11.965 -0.517 0.926 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 19 . 4731 . 1 1 13 TYR OH O 7.176 5.488 -2.705 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 19 . 4732 . 1 1 14 HIS C C 11.136 -2.486 3.034 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 19 . 4733 . 1 1 14 HIS CA C 10.714 -2.946 1.646 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 19 . 4734 . 1 1 14 HIS CB C 11.911 -3.553 0.905 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 19 . 4735 . 1 1 14 HIS CD2 C 10.610 -4.652 -1.052 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 19 . 4736 . 1 1 14 HIS CE1 C 11.898 -3.998 -2.697 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 19 . 4737 . 1 1 14 HIS CG C 11.617 -3.926 -0.515 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 19 . 4738 . 1 1 14 HIS H H 9.192 -1.903 0.616 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 19 . 4739 . 1 1 14 HIS HA H 9.951 -3.703 1.753 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 19 . 4740 . 1 1 14 HIS HB2 H 12.720 -2.837 0.900 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 19 . 4741 . 1 1 14 HIS HB3 H 12.231 -4.444 1.425 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 19 . 4742 . 1 1 14 HIS HD1 H 13.228 -2.993 -1.507 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 19 . 4743 . 1 1 14 HIS HD2 H 9.798 -5.120 -0.512 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 19 . 4744 . 1 1 14 HIS HE1 H 12.305 -3.845 -3.685 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 19 . 4745 . 1 1 14 HIS HE2 H 10.164 -5.017 -3.071 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 19 . 4746 . 1 1 14 HIS N N 10.131 -1.840 0.885 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 19 . 4747 . 1 1 14 HIS ND1 N 12.407 -3.533 -1.573 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 19 . 4748 . 1 1 14 HIS NE2 N 10.808 -4.680 -2.409 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 19 . 4749 . 1 1 14 HIS O O 10.256 -2.362 3.908 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 19 . 4750 . 1 1 14 HIS OXT O 12.344 -2.250 3.248 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 1 . 20 . 4751 . 1 1 1 GLY C C -11.888 3.872 4.403 . . . 1.0 . . . . . . . . . . . . C . 139 GLY C . . . . . . . . . c30414_6civ 1 . 20 . 4752 . 1 1 1 GLY CA C -10.900 4.981 4.682 . . . 1.0 . . . . . . . . . . . . C . 139 GLY CA . . . . . . . . . c30414_6civ 1 . 20 . 4753 . 1 1 1 GLY H1 H -9.821 5.794 6.268 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H1 . . . . . . . . . c30414_6civ 1 . 20 . 4754 . 1 1 1 GLY H2 H -10.016 4.118 6.355 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H2 . . . . . . . . . c30414_6civ 1 . 20 . 4755 . 1 1 1 GLY H3 H -11.314 5.139 6.715 . . . 1.0 . . . . . . . . . . . . C . 139 GLY H3 . . . . . . . . . c30414_6civ 1 . 20 . 4756 . 1 1 1 GLY HA2 H -11.355 5.927 4.430 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA2 . . . . . . . . . c30414_6civ 1 . 20 . 4757 . 1 1 1 GLY HA3 H -10.026 4.837 4.063 . . . 1.0 . . . . . . . . . . . . C . 139 GLY HA3 . . . . . . . . . c30414_6civ 1 . 20 . 4758 . 1 1 1 GLY N N -10.483 5.010 6.103 . . . 1.0 . . . . . . . . . . . . C . 139 GLY N . . . . . . . . . c30414_6civ 1 . 20 . 4759 . 1 1 1 GLY O O -11.651 2.717 4.765 . . . 1.0 . . . . . . . . . . . . C . 139 GLY O . . . . . . . . . c30414_6civ 1 . 20 . 4760 . 1 1 2 ARG C C -13.579 2.383 2.264 . . . 1.0 . . . . . . . . . . . . C . 140 ARG C . . . . . . . . . c30414_6civ 1 . 20 . 4761 . 1 1 2 ARG CA C -14.033 3.247 3.433 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CA . . . . . . . . . c30414_6civ 1 . 20 . 4762 . 1 1 2 ARG CB C -15.348 3.948 3.086 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CB . . . . . . . . . c30414_6civ 1 . 20 . 4763 . 1 1 2 ARG CD C -17.336 5.263 3.881 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CD . . . . . . . . . c30414_6civ 1 . 20 . 4764 . 1 1 2 ARG CG C -16.006 4.637 4.271 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CG . . . . . . . . . c30414_6civ 1 . 20 . 4765 . 1 1 2 ARG CZ C -19.293 4.574 2.544 . . . 1.0 . . . . . . . . . . . . C . 140 ARG CZ . . . . . . . . . c30414_6civ 1 . 20 . 4766 . 1 1 2 ARG H H -13.143 5.166 3.540 . . . 1.0 . . . . . . . . . . . . C . 140 ARG H . . . . . . . . . c30414_6civ 1 . 20 . 4767 . 1 1 2 ARG HA H -14.189 2.614 4.292 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HA . . . . . . . . . c30414_6civ 1 . 20 . 4768 . 1 1 2 ARG HB2 H -15.154 4.693 2.328 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4769 . 1 1 2 ARG HB3 H -16.039 3.219 2.692 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4770 . 1 1 2 ARG HD2 H -17.779 5.712 4.758 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4771 . 1 1 2 ARG HD3 H -17.157 6.026 3.138 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HD3 . . . . . . . . . c30414_6civ 1 . 20 . 4772 . 1 1 2 ARG HE H -18.105 3.331 3.567 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HE . . . . . . . . . c30414_6civ 1 . 20 . 4773 . 1 1 2 ARG HG2 H -16.179 3.907 5.048 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4774 . 1 1 2 ARG HG3 H -15.347 5.410 4.639 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4775 . 1 1 2 ARG HH11 H -18.968 6.575 2.586 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH11 . . . . . . . . . c30414_6civ 1 . 20 . 4776 . 1 1 2 ARG HH12 H -20.318 6.062 1.628 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH12 . . . . . . . . . c30414_6civ 1 . 20 . 4777 . 1 1 2 ARG HH21 H -19.900 2.650 2.324 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH21 . . . . . . . . . c30414_6civ 1 . 20 . 4778 . 1 1 2 ARG HH22 H -20.847 3.830 1.476 . . . 1.0 . . . . . . . . . . . . C . 140 ARG HH22 . . . . . . . . . c30414_6civ 1 . 20 . 4779 . 1 1 2 ARG N N -13.006 4.222 3.776 . . . 1.0 . . . . . . . . . . . . C . 140 ARG N . . . . . . . . . c30414_6civ 1 . 20 . 4780 . 1 1 2 ARG NE N -18.264 4.274 3.334 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NE . . . . . . . . . c30414_6civ 1 . 20 . 4781 . 1 1 2 ARG NH1 N -19.548 5.838 2.230 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH1 . . . . . . . . . c30414_6civ 1 . 20 . 4782 . 1 1 2 ARG NH2 N -20.077 3.609 2.079 . . . 1.0 . . . . . . . . . . . . C . 140 ARG NH2 . . . . . . . . . c30414_6civ 1 . 20 . 4783 . 1 1 2 ARG O O -13.685 1.156 2.298 . . . 1.0 . . . . . . . . . . . . C . 140 ARG O . . . . . . . . . c30414_6civ 1 . 20 . 4784 . 1 1 3 LYS C C -11.025 2.314 0.158 . . . 1.0 . . . . . . . . . . . . C . 141 LYS C . . . . . . . . . c30414_6civ 1 . 20 . 4785 . 1 1 3 LYS CA C -12.547 2.340 0.070 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CA . . . . . . . . . c30414_6civ 1 . 20 . 4786 . 1 1 3 LYS CB C -13.008 3.046 -1.210 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CB . . . . . . . . . c30414_6civ 1 . 20 . 4787 . 1 1 3 LYS CD C -13.453 0.964 -2.551 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CD . . . . . . . . . c30414_6civ 1 . 20 . 4788 . 1 1 3 LYS CE C -13.261 0.278 -3.894 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CE . . . . . . . . . c30414_6civ 1 . 20 . 4789 . 1 1 3 LYS CG C -12.701 2.282 -2.488 . . . 1.0 . . . . . . . . . . . . C . 141 LYS CG . . . . . . . . . c30414_6civ 1 . 20 . 4790 . 1 1 3 LYS H H -13.037 4.014 1.257 . . . 1.0 . . . . . . . . . . . . C . 141 LYS H . . . . . . . . . c30414_6civ 1 . 20 . 4791 . 1 1 3 LYS HA H -12.923 1.329 0.080 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HA . . . . . . . . . c30414_6civ 1 . 20 . 4792 . 1 1 3 LYS HB2 H -14.075 3.198 -1.157 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4793 . 1 1 3 LYS HB3 H -12.521 4.009 -1.268 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4794 . 1 1 3 LYS HD2 H -13.086 0.314 -1.771 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4795 . 1 1 3 LYS HD3 H -14.505 1.153 -2.400 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HD3 . . . . . . . . . c30414_6civ 1 . 20 . 4796 . 1 1 3 LYS HE2 H -13.797 -0.659 -3.885 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE2 . . . . . . . . . c30414_6civ 1 . 20 . 4797 . 1 1 3 LYS HE3 H -13.666 0.913 -4.667 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HE3 . . . . . . . . . c30414_6civ 1 . 20 . 4798 . 1 1 3 LYS HG2 H -12.986 2.887 -3.335 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4799 . 1 1 3 LYS HG3 H -11.641 2.082 -2.528 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4800 . 1 1 3 LYS HZ1 H -11.308 0.904 -4.288 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ1 . . . . . . . . . c30414_6civ 1 . 20 . 4801 . 1 1 3 LYS HZ2 H -11.741 -0.525 -5.078 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ2 . . . . . . . . . c30414_6civ 1 . 20 . 4802 . 1 1 3 LYS HZ3 H -11.404 -0.544 -3.422 . . . 1.0 . . . . . . . . . . . . C . 141 LYS HZ3 . . . . . . . . . c30414_6civ 1 . 20 . 4803 . 1 1 3 LYS N N -13.072 3.034 1.232 . . . 1.0 . . . . . . . . . . . . C . 141 LYS N . . . . . . . . . c30414_6civ 1 . 20 . 4804 . 1 1 3 LYS NZ N -11.830 0.009 -4.190 . . . 1.0 . . . . . . . . . . . . C . 141 LYS NZ . . . . . . . . . c30414_6civ 1 . 20 . 4805 . 1 1 3 LYS O O -10.353 3.268 -0.237 . . . 1.0 . . . . . . . . . . . . C . 141 LYS O . . . . . . . . . c30414_6civ 1 . 20 . 4806 . 1 1 4 ARG C C -8.400 0.046 0.164 . . . 1.0 . . . . . . . . . . . . C . 142 ARG C . . . . . . . . . c30414_6civ 1 . 20 . 4807 . 1 1 4 ARG CA C -9.065 1.148 0.982 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CA . . . . . . . . . c30414_6civ 1 . 20 . 4808 . 1 1 4 ARG CB C -8.841 0.894 2.478 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CB . . . . . . . . . c30414_6civ 1 . 20 . 4809 . 1 1 4 ARG CD C -7.212 0.478 4.344 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CD . . . . . . . . . c30414_6civ 1 . 20 . 4810 . 1 1 4 ARG CG C -7.376 0.866 2.884 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CG . . . . . . . . . c30414_6civ 1 . 20 . 4811 . 1 1 4 ARG CZ C -5.262 -0.388 5.596 . . . 1.0 . . . . . . . . . . . . C . 142 ARG CZ . . . . . . . . . c30414_6civ 1 . 20 . 4812 . 1 1 4 ARG H H -11.064 0.466 0.911 . . . 1.0 . . . . . . . . . . . . C . 142 ARG H . . . . . . . . . c30414_6civ 1 . 20 . 4813 . 1 1 4 ARG HA H -8.619 2.095 0.719 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HA . . . . . . . . . c30414_6civ 1 . 20 . 4814 . 1 1 4 ARG HB2 H -9.334 1.672 3.041 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4815 . 1 1 4 ARG HB3 H -9.281 -0.058 2.737 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4816 . 1 1 4 ARG HD2 H -7.776 1.169 4.953 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4817 . 1 1 4 ARG HD3 H -7.601 -0.518 4.479 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HD3 . . . . . . . . . c30414_6civ 1 . 20 . 4818 . 1 1 4 ARG HE H -5.254 1.235 4.420 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HE . . . . . . . . . c30414_6civ 1 . 20 . 4819 . 1 1 4 ARG HG2 H -6.856 0.146 2.270 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4820 . 1 1 4 ARG HG3 H -6.951 1.848 2.730 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4821 . 1 1 4 ARG HH11 H -6.955 -1.482 5.847 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH11 . . . . . . . . . c30414_6civ 1 . 20 . 4822 . 1 1 4 ARG HH12 H -5.564 -2.056 6.710 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH12 . . . . . . . . . c30414_6civ 1 . 20 . 4823 . 1 1 4 ARG HH21 H -3.427 0.476 5.561 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH21 . . . . . . . . . c30414_6civ 1 . 20 . 4824 . 1 1 4 ARG HH22 H -3.558 -0.948 6.544 . . . 1.0 . . . . . . . . . . . . C . 142 ARG HH22 . . . . . . . . . c30414_6civ 1 . 20 . 4825 . 1 1 4 ARG N N -10.489 1.232 0.700 . . . 1.0 . . . . . . . . . . . . C . 142 ARG N . . . . . . . . . c30414_6civ 1 . 20 . 4826 . 1 1 4 ARG NE N -5.814 0.503 4.769 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NE . . . . . . . . . c30414_6civ 1 . 20 . 4827 . 1 1 4 ARG NH1 N -5.985 -1.389 6.092 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH1 . . . . . . . . . c30414_6civ 1 . 20 . 4828 . 1 1 4 ARG NH2 N -3.981 -0.277 5.928 . . . 1.0 . . . . . . . . . . . . C . 142 ARG NH2 . . . . . . . . . c30414_6civ 1 . 20 . 4829 . 1 1 4 ARG O O -8.542 -1.140 0.473 . . . 1.0 . . . . . . . . . . . . C . 142 ARG O . . . . . . . . . c30414_6civ 1 . 20 . 4830 . 1 1 5 ARG C C -5.416 -0.113 -1.536 . . . 1.0 . . . . . . . . . . . . C . 143 ARG C . . . . . . . . . c30414_6civ 1 . 20 . 4831 . 1 1 5 ARG CA C -6.886 -0.490 -1.655 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CA . . . . . . . . . c30414_6civ 1 . 20 . 4832 . 1 1 5 ARG CB C -7.307 -0.501 -3.125 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CB . . . . . . . . . c30414_6civ 1 . 20 . 4833 . 1 1 5 ARG CD C -6.950 -1.477 -5.415 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CD . . . . . . . . . c30414_6civ 1 . 20 . 4834 . 1 1 5 ARG CG C -6.476 -1.449 -3.975 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CG . . . . . . . . . c30414_6civ 1 . 20 . 4835 . 1 1 5 ARG CZ C -8.939 -2.152 -6.699 . . . 1.0 . . . . . . . . . . . . C . 143 ARG CZ . . . . . . . . . c30414_6civ 1 . 20 . 4836 . 1 1 5 ARG H H -7.716 1.386 -1.150 . . . 1.0 . . . . . . . . . . . . C . 143 ARG H . . . . . . . . . c30414_6civ 1 . 20 . 4837 . 1 1 5 ARG HA H -7.028 -1.477 -1.239 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HA . . . . . . . . . c30414_6civ 1 . 20 . 4838 . 1 1 5 ARG HB2 H -8.342 -0.800 -3.192 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4839 . 1 1 5 ARG HB3 H -7.199 0.496 -3.525 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4840 . 1 1 5 ARG HD2 H -6.964 -0.468 -5.796 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4841 . 1 1 5 ARG HD3 H -6.258 -2.071 -5.994 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HD3 . . . . . . . . . c30414_6civ 1 . 20 . 4842 . 1 1 5 ARG HE H -8.716 -2.388 -4.720 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HE . . . . . . . . . c30414_6civ 1 . 20 . 4843 . 1 1 5 ARG HG2 H -5.447 -1.125 -3.954 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4844 . 1 1 5 ARG HG3 H -6.549 -2.443 -3.561 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4845 . 1 1 5 ARG HH11 H -7.468 -1.290 -7.793 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH11 . . . . . . . . . c30414_6civ 1 . 20 . 4846 . 1 1 5 ARG HH12 H -8.873 -1.768 -8.689 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH12 . . . . . . . . . c30414_6civ 1 . 20 . 4847 . 1 1 5 ARG HH21 H -10.574 -3.047 -5.900 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH21 . . . . . . . . . c30414_6civ 1 . 20 . 4848 . 1 1 5 ARG HH22 H -10.637 -2.773 -7.613 . . . 1.0 . . . . . . . . . . . . C . 143 ARG HH22 . . . . . . . . . c30414_6civ 1 . 20 . 4849 . 1 1 5 ARG N N -7.694 0.440 -0.885 . . . 1.0 . . . . . . . . . . . . C . 143 ARG N . . . . . . . . . c30414_6civ 1 . 20 . 4850 . 1 1 5 ARG NE N -8.287 -2.052 -5.542 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NE . . . . . . . . . c30414_6civ 1 . 20 . 4851 . 1 1 5 ARG NH1 N -8.381 -1.702 -7.816 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH1 . . . . . . . . . c30414_6civ 1 . 20 . 4852 . 1 1 5 ARG NH2 N -10.145 -2.702 -6.740 . . . 1.0 . . . . . . . . . . . . C . 143 ARG NH2 . . . . . . . . . c30414_6civ 1 . 20 . 4853 . 1 1 5 ARG O O -4.940 0.804 -2.211 . . . 1.0 . . . . . . . . . . . . C . 143 ARG O . . . . . . . . . c30414_6civ 1 . 20 . 4854 . 1 1 6 GLN C C -2.478 -1.780 -0.331 . . . 1.0 . . . . . . . . . . . . C . 144 GLN C . . . . . . . . . c30414_6civ 1 . 20 . 4855 . 1 1 6 GLN CA C -3.308 -0.506 -0.416 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CA . . . . . . . . . c30414_6civ 1 . 20 . 4856 . 1 1 6 GLN CB C -3.178 0.321 0.874 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CB . . . . . . . . . c30414_6civ 1 . 20 . 4857 . 1 1 6 GLN CD C -2.854 -1.343 2.767 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CD . . . . . . . . . c30414_6civ 1 . 20 . 4858 . 1 1 6 GLN CG C -3.784 -0.340 2.108 . . . 1.0 . . . . . . . . . . . . C . 144 GLN CG . . . . . . . . . c30414_6civ 1 . 20 . 4859 . 1 1 6 GLN H H -5.121 -1.567 -0.201 . . . 1.0 . . . . . . . . . . . . C . 144 GLN H . . . . . . . . . c30414_6civ 1 . 20 . 4860 . 1 1 6 GLN HA H -2.947 0.083 -1.244 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HA . . . . . . . . . c30414_6civ 1 . 20 . 4861 . 1 1 6 GLN HB2 H -2.132 0.495 1.070 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4862 . 1 1 6 GLN HB3 H -3.669 1.271 0.726 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4863 . 1 1 6 GLN HE21 H -4.402 -2.469 3.292 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE21 . . . . . . . . . c30414_6civ 1 . 20 . 4864 . 1 1 6 GLN HE22 H -2.845 -3.060 3.761 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HE22 . . . . . . . . . c30414_6civ 1 . 20 . 4865 . 1 1 6 GLN HG2 H -4.024 0.426 2.827 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4866 . 1 1 6 GLN HG3 H -4.689 -0.851 1.814 . . . 1.0 . . . . . . . . . . . . C . 144 GLN HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4867 . 1 1 6 GLN N N -4.703 -0.814 -0.672 . . . 1.0 . . . . . . . . . . . . C . 144 GLN N . . . . . . . . . c30414_6civ 1 . 20 . 4868 . 1 1 6 GLN NE2 N -3.424 -2.394 3.332 . . . 1.0 . . . . . . . . . . . . C . 144 GLN NE2 . . . . . . . . . c30414_6civ 1 . 20 . 4869 . 1 1 6 GLN O O -2.996 -2.852 -0.007 . . . 1.0 . . . . . . . . . . . . C . 144 GLN O . . . . . . . . . c30414_6civ 1 . 20 . 4870 . 1 1 6 GLN OE1 O -1.634 -1.179 2.756 . . . 1.0 . . . . . . . . . . . . C . 144 GLN OE1 . . . . . . . . . c30414_6civ 1 . 20 . 4871 . 1 1 7 . C C 0.928 -2.375 0.315 . . . 1.0 . . . . . . . . . . . . C . 145 DAB C . . . . . . . . . c30414_6civ 1 . 20 . 4872 . 1 1 7 . CA C -0.274 -2.776 -0.533 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CA . . . . . . . . . c30414_6civ 1 . 20 . 4873 . 1 1 7 . CB C 0.157 -3.251 -1.927 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CB . . . . . . . . . c30414_6civ 1 . 20 . 4874 . 1 1 7 . CG C 0.875 -2.203 -2.759 . . . 1.0 . . . . . . . . . . . . C . 145 DAB CG . . . . . . . . . c30414_6civ 1 . 20 . 4875 . 1 1 7 . H H -0.863 -0.789 -0.948 . . . 1.0 . . . . . . . . . . . . C . 145 DAB H . . . . . . . . . c30414_6civ 1 . 20 . 4876 . 1 1 7 . HA H -0.789 -3.579 -0.041 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HA . . . . . . . . . c30414_6civ 1 . 20 . 4877 . 1 1 7 . HB2 H -0.723 -3.567 -2.470 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4878 . 1 1 7 . HB3 H 0.816 -4.098 -1.814 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4879 . 1 1 7 . HD1 H 2.382 -1.633 -1.408 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HD1 . . . . . . . . . c30414_6civ 1 . 20 . 4880 . 1 1 7 . HG2 H 0.334 -1.271 -2.686 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4881 . 1 1 7 . HG3 H 0.886 -2.532 -3.780 . . . 1.0 . . . . . . . . . . . . C . 145 DAB HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4882 . 1 1 7 . N N -1.199 -1.659 -0.637 . . . 1.0 . . . . . . . . . . . . C . 145 DAB N . . . . . . . . . c30414_6civ 1 . 20 . 4883 . 1 1 7 . ND N 2.247 -1.993 -2.311 . . . 1.0 . . . . . . . . . . . . C . 145 DAB ND . . . . . . . . . c30414_6civ 1 . 20 . 4884 . 1 1 7 . O O 1.968 -3.037 0.295 . . . 1.0 . . . . . . . . . . . . C . 145 DAB O . . . . . . . . . c30414_6civ 1 . 20 . 4885 . 1 1 8 SER C C 2.887 -0.048 1.031 . . . 1.0 . . . . . . . . . . . . C . 146 SER C . . . . . . . . . c30414_6civ 1 . 20 . 4886 . 1 1 8 SER CA C 1.793 -0.670 1.892 . . . 1.0 . . . . . . . . . . . . C . 146 SER CA . . . . . . . . . c30414_6civ 1 . 20 . 4887 . 1 1 8 SER CB C 2.428 -1.681 2.858 . . . 1.0 . . . . . . . . . . . . C . 146 SER CB . . . . . . . . . c30414_6civ 1 . 20 . 4888 . 1 1 8 SER H H -0.139 -0.867 1.064 . . . 1.0 . . . . . . . . . . . . C . 146 SER H . . . . . . . . . c30414_6civ 1 . 20 . 4889 . 1 1 8 SER HA H 1.327 0.115 2.470 . . . 1.0 . . . . . . . . . . . . C . 146 SER HA . . . . . . . . . c30414_6civ 1 . 20 . 4890 . 1 1 8 SER HB2 H 2.779 -1.165 3.738 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4891 . 1 1 8 SER HB3 H 1.687 -2.414 3.143 . . . 1.0 . . . . . . . . . . . . C . 146 SER HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4892 . 1 1 8 SER HG H 3.222 -2.765 1.427 . . . 1.0 . . . . . . . . . . . . C . 146 SER HG . . . . . . . . . c30414_6civ 1 . 20 . 4893 . 1 1 8 SER N N 0.751 -1.281 1.062 . . . 1.0 . . . . . . . . . . . . C . 146 SER N . . . . . . . . . c30414_6civ 1 . 20 . 4894 . 1 1 8 SER O O 3.273 -0.587 -0.007 . . . 1.0 . . . . . . . . . . . . C . 146 SER O . . . . . . . . . c30414_6civ 1 . 20 . 4895 . 1 1 8 SER OG O 3.525 -2.350 2.251 . . . 1.0 . . . . . . . . . . . . C . 146 SER OG . . . . . . . . . c30414_6civ 1 . 20 . 4896 . 1 1 9 MET C C 5.789 0.906 1.053 . . . 1.0 . . . . . . . . . . . . C . 147 MET C . . . . . . . . . c30414_6civ 1 . 20 . 4897 . 1 1 9 MET CA C 4.525 1.726 0.824 . . . 1.0 . . . . . . . . . . . . C . 147 MET CA . . . . . . . . . c30414_6civ 1 . 20 . 4898 . 1 1 9 MET CB C 4.725 3.144 1.365 . . . 1.0 . . . . . . . . . . . . C . 147 MET CB . . . . . . . . . c30414_6civ 1 . 20 . 4899 . 1 1 9 MET CE C 2.120 6.374 1.789 . . . 1.0 . . . . . . . . . . . . C . 147 MET CE . . . . . . . . . c30414_6civ 1 . 20 . 4900 . 1 1 9 MET CG C 3.489 4.023 1.262 . . . 1.0 . . . . . . . . . . . . C . 147 MET CG . . . . . . . . . c30414_6civ 1 . 20 . 4901 . 1 1 9 MET H H 3.028 1.486 2.298 . . . 1.0 . . . . . . . . . . . . C . 147 MET H . . . . . . . . . c30414_6civ 1 . 20 . 4902 . 1 1 9 MET HA H 4.315 1.769 -0.233 . . . 1.0 . . . . . . . . . . . . C . 147 MET HA . . . . . . . . . c30414_6civ 1 . 20 . 4903 . 1 1 9 MET HB2 H 5.010 3.080 2.405 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4904 . 1 1 9 MET HB3 H 5.524 3.615 0.812 . . . 1.0 . . . . . . . . . . . . C . 147 MET HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4905 . 1 1 9 MET HE1 H 1.422 5.779 2.358 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE1 . . . . . . . . . c30414_6civ 1 . 20 . 4906 . 1 1 9 MET HE2 H 1.825 6.382 0.751 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE2 . . . . . . . . . c30414_6civ 1 . 20 . 4907 . 1 1 9 MET HE3 H 2.125 7.385 2.169 . . . 1.0 . . . . . . . . . . . . C . 147 MET HE3 . . . . . . . . . c30414_6civ 1 . 20 . 4908 . 1 1 9 MET HG2 H 3.213 4.116 0.223 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4909 . 1 1 9 MET HG3 H 2.684 3.554 1.809 . . . 1.0 . . . . . . . . . . . . C . 147 MET HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4910 . 1 1 9 MET N N 3.405 1.080 1.487 . . . 1.0 . . . . . . . . . . . . C . 147 MET N . . . . . . . . . c30414_6civ 1 . 20 . 4911 . 1 1 9 MET O O 6.824 1.140 0.428 . . . 1.0 . . . . . . . . . . . . C . 147 MET O . . . . . . . . . c30414_6civ 1 . 20 . 4912 . 1 1 9 MET SD S 3.762 5.673 1.938 . . . 1.0 . . . . . . . . . . . . C . 147 MET SD . . . . . . . . . c30414_6civ 1 . 20 . 4913 . 1 1 10 THR C C 7.124 -1.928 1.240 . . . 1.0 . . . . . . . . . . . . C . 148 THR C . . . . . . . . . c30414_6civ 1 . 20 . 4914 . 1 1 10 THR CA C 6.807 -0.900 2.324 . . . 1.0 . . . . . . . . . . . . C . 148 THR CA . . . . . . . . . c30414_6civ 1 . 20 . 4915 . 1 1 10 THR CB C 6.515 -1.600 3.665 . . . 1.0 . . . . . . . . . . . . C . 148 THR CB . . . . . . . . . c30414_6civ 1 . 20 . 4916 . 1 1 10 THR CG2 C 7.770 -2.222 4.249 . . . 1.0 . . . . . . . . . . . . C . 148 THR CG2 . . . . . . . . . c30414_6civ 1 . 20 . 4917 . 1 1 10 THR H H 4.803 -0.275 2.337 . . . 1.0 . . . . . . . . . . . . C . 148 THR H . . . . . . . . . c30414_6civ 1 . 20 . 4918 . 1 1 10 THR HA H 7.659 -0.254 2.453 . . . 1.0 . . . . . . . . . . . . C . 148 THR HA . . . . . . . . . c30414_6civ 1 . 20 . 4919 . 1 1 10 THR HB H 5.782 -2.376 3.501 . . . 1.0 . . . . . . . . . . . . C . 148 THR HB . . . . . . . . . c30414_6civ 1 . 20 . 4920 . 1 1 10 THR HG1 H 6.715 -0.103 4.937 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG1 . . . . . . . . . c30414_6civ 1 . 20 . 4921 . 1 1 10 THR HG21 H 8.513 -1.454 4.403 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG21 . . . . . . . . . c30414_6civ 1 . 20 . 4922 . 1 1 10 THR HG22 H 8.155 -2.964 3.565 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG22 . . . . . . . . . c30414_6civ 1 . 20 . 4923 . 1 1 10 THR HG23 H 7.534 -2.691 5.193 . . . 1.0 . . . . . . . . . . . . C . 148 THR HG23 . . . . . . . . . c30414_6civ 1 . 20 . 4924 . 1 1 10 THR N N 5.680 -0.081 1.937 . . . 1.0 . . . . . . . . . . . . C . 148 THR N . . . . . . . . . c30414_6civ 1 . 20 . 4925 . 1 1 10 THR O O 8.166 -2.578 1.269 . . . 1.0 . . . . . . . . . . . . C . 148 THR O . . . . . . . . . c30414_6civ 1 . 20 . 4926 . 1 1 10 THR OG1 O 5.989 -0.642 4.595 . . . 1.0 . . . . . . . . . . . . C . 148 THR OG1 . . . . . . . . . c30414_6civ 1 . 20 . 4927 . 1 1 11 GLU C C 7.533 -2.394 -1.773 . . . 1.0 . . . . . . . . . . . . C . 149 GLU C . . . . . . . . . c30414_6civ 1 . 20 . 4928 . 1 1 11 GLU CA C 6.457 -2.954 -0.852 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CA . . . . . . . . . c30414_6civ 1 . 20 . 4929 . 1 1 11 GLU CB C 5.163 -3.199 -1.628 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CB . . . . . . . . . c30414_6civ 1 . 20 . 4930 . 1 1 11 GLU CD C 3.313 -2.251 -3.037 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CD . . . . . . . . . c30414_6civ 1 . 20 . 4931 . 1 1 11 GLU CG C 4.635 -1.977 -2.363 . . . 1.0 . . . . . . . . . . . . C . 149 GLU CG . . . . . . . . . c30414_6civ 1 . 20 . 4932 . 1 1 11 GLU H H 5.397 -1.532 0.306 . . . 1.0 . . . . . . . . . . . . C . 149 GLU H . . . . . . . . . c30414_6civ 1 . 20 . 4933 . 1 1 11 GLU HA H 6.806 -3.889 -0.449 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HA . . . . . . . . . c30414_6civ 1 . 20 . 4934 . 1 1 11 GLU HB2 H 5.338 -3.975 -2.351 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4935 . 1 1 11 GLU HB3 H 4.404 -3.531 -0.935 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4936 . 1 1 11 GLU HG2 H 4.499 -1.173 -1.654 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG2 . . . . . . . . . c30414_6civ 1 . 20 . 4937 . 1 1 11 GLU HG3 H 5.345 -1.679 -3.109 . . . 1.0 . . . . . . . . . . . . C . 149 GLU HG3 . . . . . . . . . c30414_6civ 1 . 20 . 4938 . 1 1 11 GLU N N 6.228 -2.052 0.267 . . . 1.0 . . . . . . . . . . . . C . 149 GLU N . . . . . . . . . c30414_6civ 1 . 20 . 4939 . 1 1 11 GLU O O 8.180 -3.132 -2.517 . . . 1.0 . . . . . . . . . . . . C . 149 GLU O . . . . . . . . . c30414_6civ 1 . 20 . 4940 . 1 1 11 GLU OE1 O 3.260 -2.679 -4.191 . . . 1.0 . . . . . . . . . . . . C . 149 GLU OE1 . . . . . . . . . c30414_6civ 1 . 20 . 4941 . 1 1 12 PHE C C 10.031 -0.326 -1.704 . . . 1.0 . . . . . . . . . . . . C . 150 PHE C . . . . . . . . . c30414_6civ 1 . 20 . 4942 . 1 1 12 PHE CA C 8.740 -0.414 -2.501 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CA . . . . . . . . . c30414_6civ 1 . 20 . 4943 . 1 1 12 PHE CB C 8.286 0.989 -2.904 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CB . . . . . . . . . c30414_6civ 1 . 20 . 4944 . 1 1 12 PHE CD1 C 6.926 0.393 -4.924 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD1 . . . . . . . . . c30414_6civ 1 . 20 . 4945 . 1 1 12 PHE CD2 C 5.880 1.641 -3.181 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CD2 . . . . . . . . . c30414_6civ 1 . 20 . 4946 . 1 1 12 PHE CE1 C 5.751 0.413 -5.646 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE1 . . . . . . . . . c30414_6civ 1 . 20 . 4947 . 1 1 12 PHE CE2 C 4.702 1.663 -3.899 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CE2 . . . . . . . . . c30414_6civ 1 . 20 . 4948 . 1 1 12 PHE CG C 7.004 1.006 -3.684 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CG . . . . . . . . . c30414_6civ 1 . 20 . 4949 . 1 1 12 PHE CZ C 4.637 1.048 -5.134 . . . 1.0 . . . . . . . . . . . . C . 150 PHE CZ . . . . . . . . . c30414_6civ 1 . 20 . 4950 . 1 1 12 PHE H H 7.147 -0.553 -1.117 . . . 1.0 . . . . . . . . . . . . C . 150 PHE H . . . . . . . . . c30414_6civ 1 . 20 . 4951 . 1 1 12 PHE HA H 8.916 -1.000 -3.389 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HA . . . . . . . . . c30414_6civ 1 . 20 . 4952 . 1 1 12 PHE HB2 H 8.140 1.582 -2.013 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4953 . 1 1 12 PHE HB3 H 9.052 1.447 -3.512 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4954 . 1 1 12 PHE HD1 H 7.796 -0.106 -5.325 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD1 . . . . . . . . . c30414_6civ 1 . 20 . 4955 . 1 1 12 PHE HD2 H 5.931 2.121 -2.214 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4956 . 1 1 12 PHE HE1 H 5.702 -0.068 -6.611 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE1 . . . . . . . . . c30414_6civ 1 . 20 . 4957 . 1 1 12 PHE HE2 H 3.834 2.161 -3.498 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HE2 . . . . . . . . . c30414_6civ 1 . 20 . 4958 . 1 1 12 PHE HZ H 3.718 1.065 -5.699 . . . 1.0 . . . . . . . . . . . . C . 150 PHE HZ . . . . . . . . . c30414_6civ 1 . 20 . 4959 . 1 1 12 PHE N N 7.715 -1.082 -1.713 . . . 1.0 . . . . . . . . . . . . C . 150 PHE N . . . . . . . . . c30414_6civ 1 . 20 . 4960 . 1 1 12 PHE O O 11.129 -0.367 -2.262 . . . 1.0 . . . . . . . . . . . . C . 150 PHE O . . . . . . . . . c30414_6civ 1 . 20 . 4961 . 1 1 13 TYR C C 11.679 -1.462 0.699 . . . 1.0 . . . . . . . . . . . . C . 151 TYR C . . . . . . . . . c30414_6civ 1 . 20 . 4962 . 1 1 13 TYR CA C 11.023 -0.100 0.505 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CA . . . . . . . . . c30414_6civ 1 . 20 . 4963 . 1 1 13 TYR CB C 10.566 0.475 1.851 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CB . . . . . . . . . c30414_6civ 1 . 20 . 4964 . 1 1 13 TYR CD1 C 11.852 -0.144 3.933 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD1 . . . . . . . . . c30414_6civ 1 . 20 . 4965 . 1 1 13 TYR CD2 C 12.569 1.760 2.693 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CD2 . . . . . . . . . c30414_6civ 1 . 20 . 4966 . 1 1 13 TYR CE1 C 12.869 0.058 4.843 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE1 . . . . . . . . . c30414_6civ 1 . 20 . 4967 . 1 1 13 TYR CE2 C 13.589 1.970 3.599 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CE2 . . . . . . . . . c30414_6civ 1 . 20 . 4968 . 1 1 13 TYR CG C 11.683 0.701 2.844 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CG . . . . . . . . . c30414_6civ 1 . 20 . 4969 . 1 1 13 TYR CZ C 13.736 1.117 4.672 . . . 1.0 . . . . . . . . . . . . C . 151 TYR CZ . . . . . . . . . c30414_6civ 1 . 20 . 4970 . 1 1 13 TYR H H 8.983 -0.217 -0.014 . . . 1.0 . . . . . . . . . . . . C . 151 TYR H . . . . . . . . . c30414_6civ 1 . 20 . 4971 . 1 1 13 TYR HA H 11.735 0.574 0.055 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HA . . . . . . . . . c30414_6civ 1 . 20 . 4972 . 1 1 13 TYR HB2 H 10.085 1.427 1.681 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4973 . 1 1 13 TYR HB3 H 9.856 -0.204 2.300 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4974 . 1 1 13 TYR HD1 H 11.171 -0.972 4.064 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD1 . . . . . . . . . c30414_6civ 1 . 20 . 4975 . 1 1 13 TYR HD2 H 12.451 2.426 1.853 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4976 . 1 1 13 TYR HE1 H 12.983 -0.610 5.683 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE1 . . . . . . . . . c30414_6civ 1 . 20 . 4977 . 1 1 13 TYR HE2 H 14.267 2.800 3.464 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HE2 . . . . . . . . . c30414_6civ 1 . 20 . 4978 . 1 1 13 TYR HH H 14.863 2.269 5.730 . . . 1.0 . . . . . . . . . . . . C . 151 TYR HH . . . . . . . . . c30414_6civ 1 . 20 . 4979 . 1 1 13 TYR N N 9.885 -0.216 -0.391 . . . 1.0 . . . . . . . . . . . . C . 151 TYR N . . . . . . . . . c30414_6civ 1 . 20 . 4980 . 1 1 13 TYR O O 10.998 -2.458 0.948 . . . 1.0 . . . . . . . . . . . . C . 151 TYR O . . . . . . . . . c30414_6civ 1 . 20 . 4981 . 1 1 13 TYR OH O 14.755 1.319 5.578 . . . 1.0 . . . . . . . . . . . . C . 151 TYR OH . . . . . . . . . c30414_6civ 1 . 20 . 4982 . 1 1 14 HIS C C 13.937 -3.109 2.161 . . . 1.0 . . . . . . . . . . . . C . 152 HIS C . . . . . . . . . c30414_6civ 1 . 20 . 4983 . 1 1 14 HIS CA C 13.731 -2.754 0.695 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CA . . . . . . . . . c30414_6civ 1 . 20 . 4984 . 1 1 14 HIS CB C 15.079 -2.659 -0.026 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CB . . . . . . . . . c30414_6civ 1 . 20 . 4985 . 1 1 14 HIS CD2 C 15.717 -5.102 -0.611 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CD2 . . . . . . . . . c30414_6civ 1 . 20 . 4986 . 1 1 14 HIS CE1 C 17.481 -5.292 0.670 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CE1 . . . . . . . . . c30414_6civ 1 . 20 . 4987 . 1 1 14 HIS CG C 15.880 -3.924 0.033 . . . 1.0 . . . . . . . . . . . . C . 152 HIS CG . . . . . . . . . c30414_6civ 1 . 20 . 4988 . 1 1 14 HIS H H 13.489 -0.670 0.413 . . . 1.0 . . . . . . . . . . . . C . 152 HIS H . . . . . . . . . c30414_6civ 1 . 20 . 4989 . 1 1 14 HIS HA H 13.139 -3.530 0.231 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HA . . . . . . . . . c30414_6civ 1 . 20 . 4990 . 1 1 14 HIS HB2 H 14.909 -2.422 -1.065 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB2 . . . . . . . . . c30414_6civ 1 . 20 . 4991 . 1 1 14 HIS HB3 H 15.666 -1.872 0.427 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HB3 . . . . . . . . . c30414_6civ 1 . 20 . 4992 . 1 1 14 HIS HD1 H 17.372 -3.394 1.426 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD1 . . . . . . . . . c30414_6civ 1 . 20 . 4993 . 1 1 14 HIS HD2 H 14.934 -5.344 -1.314 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HD2 . . . . . . . . . c30414_6civ 1 . 20 . 4994 . 1 1 14 HIS HE1 H 18.348 -5.694 1.171 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE1 . . . . . . . . . c30414_6civ 1 . 20 . 4995 . 1 1 14 HIS HE2 H 16.935 -6.810 -0.591 . . . 1.0 . . . . . . . . . . . . C . 152 HIS HE2 . . . . . . . . . c30414_6civ 1 . 20 . 4996 . 1 1 14 HIS N N 12.997 -1.504 0.578 . . . 1.0 . . . . . . . . . . . . C . 152 HIS N . . . . . . . . . c30414_6civ 1 . 20 . 4997 . 1 1 14 HIS ND1 N 16.994 -4.077 0.828 . . . 1.0 . . . . . . . . . . . . C . 152 HIS ND1 . . . . . . . . . c30414_6civ 1 . 20 . 4998 . 1 1 14 HIS NE2 N 16.725 -5.933 -0.197 . . . 1.0 . . . . . . . . . . . . C . 152 HIS NE2 . . . . . . . . . c30414_6civ 1 . 20 . 4999 . 1 1 14 HIS O O 14.832 -2.516 2.797 . . . 1.0 . . . . . . . . . . . . C . 152 HIS O . . . . . . . . . c30414_6civ 1 . 20 . 5000 . 1 1 14 HIS OXT O 13.204 -3.980 2.668 . . . 1.0 . . . . . . . . . . . . C . 152 HIS OXT . . . . . . . . . c30414_6civ 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 c30414_6civ _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 6civ.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30414_6civ 1 1 6civ.mr . . XPLOR/CNS 2 'dihedral angle' 'Not applicable' 'Not applicable' 0 c30414_6civ 1 1 6civ.mr . . XPLOR/CNS 3 distance NOE ambi 104 c30414_6civ 1 1 6civ.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 6 c30414_6civ 1 1 6civ.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30414_6civ 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30414_6civ _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30414_6civ 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 14 14 HIS HA H . . . 1 1 14 14 HIS H H . . . . . 2.821 1.826 3.816 . . . . . C . 152 HIS HA . . C . 152 HIS H . C . 152 . HA . . . C . 152 . HN . . c30414_6civ 1 2 1 . . 1 1 6 6 GLN HE22 H . . . 1 1 6 6 GLN HE21 H . . . . . 1.489 1.212 1.766 . . . . . C . 144 GLN HE22 . . C . 144 GLN HE21 . C . 144 . HE22 . . . C . 144 . HE21 . . c30414_6civ 1 3 1 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HD2 H . . . . . 2.567 1.744 3.390 . . . . . C . 150 PHE HB3 . . C . 150 PHE HD2 . C . 150 . HB2 . . . C . 150 . HD2 . . c30414_6civ 1 3 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HD1 H . . . . . 2.567 1.744 3.390 . . . . . C . 150 PHE HB3 . . C . 150 PHE HD1 . C . 150 . HB2 . . . C . 150 . HD1 . . c30414_6civ 1 4 1 OR . 1 1 12 12 PHE HD2 H . . . 1 1 12 12 PHE HB2 H . . . . . 2.228 1.607 2.849 . . . . . C . 150 PHE HD2 . . C . 150 PHE HB2 . C . 150 . HD2 . . . C . 150 . HB1 . . c30414_6civ 1 4 2 OR . 1 1 12 12 PHE HD1 H . . . 1 1 12 12 PHE HB2 H . . . . . 2.228 1.607 2.849 . . . . . C . 150 PHE HD1 . . C . 150 PHE HB2 . C . 150 . HD1 . . . C . 150 . HB1 . . c30414_6civ 1 5 1 OR . 1 1 12 12 PHE HB2 H . . . 1 1 12 12 PHE HE2 H . . . . . 2.945 1.861 6.000 . . . . . C . 150 PHE HB2 . . C . 150 PHE HE2 . C . 150 . HB1 . . . C . 150 . HE2 . . c30414_6civ 1 5 2 OR . 1 1 12 12 PHE HB2 H . . . 1 1 12 12 PHE HE1 H . . . . . 2.945 1.861 6.000 . . . . . C . 150 PHE HB2 . . C . 150 PHE HE1 . C . 150 . HB1 . . . C . 150 . HE1 . . c30414_6civ 1 6 1 . . 1 1 12 12 PHE HB2 H . . . 1 1 12 12 PHE H H . . . . . 2.647 1.771 3.523 . . . . . C . 150 PHE HB2 . . C . 150 PHE H . C . 150 . HB1 . . . C . 150 . HN . . c30414_6civ 1 7 1 . . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE H H . . . . . 3.126 1.904 4.348 . . . . . C . 150 PHE HB3 . . C . 150 PHE H . C . 150 . HB2 . . . C . 150 . HN . . c30414_6civ 1 8 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HB3 H . . . . . 3.689 1.988 5.390 . . . . . C . 152 HIS H . . C . 152 HIS HB3 . C . 152 . HN . . . C . 152 . HB2 . . c30414_6civ 1 9 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HB2 H . . . . . 3.384 1.952 4.816 . . . . . C . 152 HIS H . . C . 152 HIS HB2 . C . 152 . HN . . . C . 152 . HB1 . . c30414_6civ 1 10 1 . . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HB2 H . . . . . 1.865 1.430 2.300 . . . . . C . 150 PHE HB3 . . C . 150 PHE HB2 . C . 150 . HB2 . . . C . 150 . HB1 . . c30414_6civ 1 11 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB2 H . . . . . 2.706 1.790 3.622 . . . . . C . 143 ARG HA . . C . 143 ARG HB2 . C . 143 . HA . . . C . 143 . HB1 . . c30414_6civ 1 12 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 2.929 1.856 4.002 . . . . . C . 143 ARG HA . . C . 143 ARG HB3 . C . 143 . HA . . . C . 143 . HB2 . . c30414_6civ 1 13 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG H H . . . . . 2.679 1.782 3.576 . . . . . C . 143 ARG HB2 . . C . 143 ARG H . C . 143 . HB1 . . . C . 143 . HN . . c30414_6civ 1 14 1 . . 1 1 6 6 GLN HG3 H . . . 1 1 6 6 GLN H H . . . . . 3.634 1.983 5.285 . . . . . C . 144 GLN HG3 . . C . 144 GLN H . C . 144 . HG2 . . . C . 144 . HN . . c30414_6civ 1 15 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB3 H . . . . . 3.202 1.921 4.483 . . . . . C . 144 GLN H . . C . 144 GLN HB3 . C . 144 . HN . . . C . 144 . HB2 . . c30414_6civ 1 16 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB2 H . . . . . 2.914 1.853 3.975 . . . . . C . 144 GLN H . . C . 144 GLN HB2 . C . 144 . HN . . . C . 144 . HB1 . . c30414_6civ 1 17 1 . . 1 1 12 12 PHE HB2 H . . . 1 1 12 12 PHE HA H . . . . . 4.467 1.973 6.961 . . . . . C . 150 PHE HB2 . . C . 150 PHE HA . C . 150 . HB1 . . . C . 150 . HA . . c30414_6civ 1 18 1 . . 1 1 10 10 THR HB H . . . 1 1 10 10 THR H H . . . . . 2.742 1.803 3.681 . . . . . C . 148 THR HB . . C . 148 THR H . C . 148 . HB . . . C . 148 . HN . . c30414_6civ 1 19 1 . . 1 1 10 10 THR MG H . . . 1 1 10 10 THR H H . . . . . 2.726 1.797 3.655 . . . . . C . 148 THR MG . . C . 148 THR H . C . 148 . HG21 . . . C . 148 . HN . . c30414_6civ 1 20 1 . . 1 1 13 13 TYR HB2 H . . . 1 1 13 13 TYR H H . . . . . 3.063 1.891 4.235 . . . . . C . 151 TYR HB2 . . C . 151 TYR H . C . 151 . HB1 . . . C . 151 . HN . . c30414_6civ 1 21 1 . . 1 1 13 13 TYR H H . . . 1 1 13 13 TYR HB3 H . . . . . 2.674 1.780 3.568 . . . . . C . 151 TYR H . . C . 151 TYR HB3 . C . 151 . HN . . . C . 151 . HB2 . . c30414_6civ 1 22 1 OR . 1 1 13 13 TYR HD1 H . . . 1 1 13 13 TYR HE2 H . . . . . 1.764 1.375 2.153 . . . . . C . 151 TYR HD1 . . C . 151 TYR HE2 . C . 151 . HD1 . . . C . 151 . HE2 . . c30414_6civ 1 22 2 OR . 1 1 13 13 TYR HD2 H . . . 1 1 13 13 TYR HE2 H . . . . . 1.764 1.375 2.153 . . . . . C . 151 TYR HD2 . . C . 151 TYR HE2 . C . 151 . HD2 . . . C . 151 . HE2 . . c30414_6civ 1 22 3 OR . 1 1 13 13 TYR HE1 H . . . 1 1 13 13 TYR HD2 H . . . . . 1.764 1.375 2.153 . . . . . C . 151 TYR HE1 . . C . 151 TYR HD2 . C . 151 . HE1 . . . C . 151 . HD2 . . c30414_6civ 1 22 4 OR . 1 1 13 13 TYR HE1 H . . . 1 1 13 13 TYR HD1 H . . . . . 1.764 1.375 2.153 . . . . . C . 151 TYR HE1 . . C . 151 TYR HD1 . C . 151 . HE1 . . . C . 151 . HD1 . . c30414_6civ 1 23 1 . . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU H H . . . . . 2.677 1.781 3.573 . . . . . C . 149 GLU HA . . C . 149 GLU H . C . 149 . HA . . . C . 149 . HN . . c30414_6civ 1 24 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU H H . . . . . 2.652 1.773 3.531 . . . . . C . 149 GLU HB3 . . C . 149 GLU H . C . 149 . HB2 . . . C . 149 . HN . . c30414_6civ 1 25 1 . . 1 1 11 11 GLU HB2 H . . . 1 1 11 11 GLU H H . . . . . 2.565 1.742 3.388 . . . . . C . 149 GLU HB2 . . C . 149 GLU H . C . 149 . HB1 . . . C . 149 . HN . . c30414_6civ 1 26 1 . . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU H H . . . . . 2.450 1.700 3.200 . . . . . C . 149 GLU HG3 . . C . 149 GLU H . C . 149 . HG2 . . . C . 149 . HN . . c30414_6civ 1 27 1 . . 1 1 11 11 GLU HG2 H . . . 1 1 11 11 GLU H H . . . . . 2.780 1.814 3.746 . . . . . C . 149 GLU HG2 . . C . 149 GLU H . C . 149 . HG1 . . . C . 149 . HN . . c30414_6civ 1 28 1 . . 1 1 9 9 MET HA H . . . 1 1 9 9 MET H H . . . . . 3.110 1.901 4.319 . . . . . C . 147 MET HA . . C . 147 MET H . C . 147 . HA . . . C . 147 . HN . . c30414_6civ 1 29 1 . . 1 1 8 8 SER HB3 H . . . 1 1 8 8 SER H H . . . . . 3.309 1.941 4.677 . . . . . C . 146 SER HB3 . . C . 146 SER H . C . 146 . HB2 . . . C . 146 . HN . . c30414_6civ 1 30 1 . . 1 1 8 8 SER H H . . . 1 1 8 8 SER HB2 H . . . . . 3.079 1.894 4.264 . . . . . C . 146 SER H . . C . 146 SER HB2 . C . 146 . HN . . . C . 146 . HB1 . . c30414_6civ 1 31 1 . . 1 1 11 11 GLU HA H . . . 1 1 12 12 PHE H H . . . . . 2.530 1.730 3.330 . . . . . C . 149 GLU HA . . C . 150 PHE H . C . 149 . HA . . . C . 150 . HN . . c30414_6civ 1 32 1 . . 1 1 9 9 MET H H . . . 1 1 8 8 SER HA H . . . . . 2.662 1.776 3.548 . . . . . C . 147 MET H . . C . 146 SER HA . C . 147 . HN . . . C . 146 . HA . . c30414_6civ 1 33 1 . . 1 1 9 9 MET H H . . . 1 1 8 8 SER HB3 H . . . . . 3.514 1.971 5.057 . . . . . C . 147 MET H . . C . 146 SER HB3 . C . 147 . HN . . . C . 146 . HB2 . . c30414_6civ 1 34 1 . . 1 1 9 9 MET H H . . . 1 1 8 8 SER HB2 H . . . . . 3.664 1.985 5.343 . . . . . C . 147 MET H . . C . 146 SER HB2 . C . 147 . HN . . . C . 146 . HB1 . . c30414_6civ 1 35 1 . . 1 1 14 14 HIS H H . . . 1 1 13 13 TYR HA H . . . . . 2.642 1.769 3.515 . . . . . C . 152 HIS H . . C . 151 TYR HA . C . 152 . HN . . . C . 151 . HA . . c30414_6civ 1 36 1 . . 1 1 9 9 MET HA H . . . 1 1 10 10 THR H H . . . . . 2.908 1.851 3.965 . . . . . C . 147 MET HA . . C . 148 THR H . C . 147 . HA . . . C . 148 . HN . . c30414_6civ 1 37 1 . . 1 1 14 14 HIS H H . . . 1 1 13 13 TYR HB2 H . . . . . 3.148 1.909 4.387 . . . . . C . 152 HIS H . . C . 151 TYR HB2 . C . 152 . HN . . . C . 151 . HB1 . . c30414_6civ 1 38 1 . . 1 1 14 14 HIS H H . . . 1 1 13 13 TYR HB3 H . . . . . 3.451 1.962 4.940 . . . . . C . 152 HIS H . . C . 151 TYR HB3 . C . 152 . HN . . . C . 151 . HB2 . . c30414_6civ 1 39 1 . . 1 1 12 12 PHE HB3 H . . . 1 1 13 13 TYR H H . . . . . 3.222 1.924 4.520 . . . . . C . 150 PHE HB3 . . C . 151 TYR H . C . 150 . HB2 . . . C . 151 . HN . . c30414_6civ 1 40 1 . . 1 1 12 12 PHE HB2 H . . . 1 1 13 13 TYR H H . . . . . 3.136 1.907 4.365 . . . . . C . 150 PHE HB2 . . C . 151 TYR H . C . 150 . HB1 . . . C . 151 . HN . . c30414_6civ 1 41 1 . . 1 1 8 8 SER HB2 H . . . 1 1 10 10 THR H H . . . . . 3.142 1.908 4.376 . . . . . C . 146 SER HB2 . . C . 148 THR H . C . 146 . HB1 . . . C . 148 . HN . . c30414_6civ 1 42 1 . . 1 1 8 8 SER HB2 H . . . 1 1 11 11 GLU H H . . . . . 3.346 1.947 4.745 . . . . . C . 146 SER HB2 . . C . 149 GLU H . C . 146 . HB1 . . . C . 149 . HN . . c30414_6civ 1 43 1 . . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 PHE H H . . . . . 2.948 1.862 4.034 . . . . . C . 149 GLU HG3 . . C . 150 PHE H . C . 149 . HG2 . . . C . 150 . HN . . c30414_6civ 1 44 1 . . 1 1 11 11 GLU HB2 H . . . 1 1 12 12 PHE H H . . . . . 3.295 1.938 4.652 . . . . . C . 149 GLU HB2 . . C . 150 PHE H . C . 149 . HB1 . . . C . 150 . HN . . c30414_6civ 1 45 1 . . 1 1 11 11 GLU HG2 H . . . 1 1 12 12 PHE H H . . . . . 3.184 1.917 4.451 . . . . . C . 149 GLU HG2 . . C . 150 PHE H . C . 149 . HG1 . . . C . 150 . HN . . c30414_6civ 1 46 1 . . 1 1 10 10 THR MG H . . . 1 1 11 11 GLU H H . . . . . 3.557 1.976 5.138 . . . . . C . 148 THR MG . . C . 149 GLU H . C . 148 . HG21 . . . C . 149 . HN . . c30414_6civ 1 47 1 OR . 1 1 12 12 PHE HE2 H . . . 1 1 11 11 GLU HG2 H . . . . . 3.403 1.956 4.850 . . . . . C . 150 PHE HE2 . . C . 149 GLU HG2 . C . 150 . HE2 . . . C . 149 . HG1 . . c30414_6civ 1 47 2 OR . 1 1 12 12 PHE HE1 H . . . 1 1 11 11 GLU HG2 H . . . . . 3.403 1.956 4.850 . . . . . C . 150 PHE HE1 . . C . 149 GLU HG2 . C . 150 . HE1 . . . C . 149 . HG1 . . c30414_6civ 1 48 1 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 PHE HE2 H . . . . . 3.587 1.978 5.196 . . . . . C . 149 GLU HG3 . . C . 150 PHE HE2 . C . 149 . HG2 . . . C . 150 . HE2 . . c30414_6civ 1 48 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 PHE HE1 H . . . . . 3.587 1.978 5.196 . . . . . C . 149 GLU HG3 . . C . 150 PHE HE1 . C . 149 . HG2 . . . C . 150 . HE1 . . c30414_6civ 1 49 1 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 PHE HD2 H . . . . . 3.572 1.977 5.167 . . . . . C . 149 GLU HG3 . . C . 150 PHE HD2 . C . 149 . HG2 . . . C . 150 . HD2 . . c30414_6civ 1 49 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 PHE HD1 H . . . . . 3.572 1.977 5.167 . . . . . C . 149 GLU HG3 . . C . 150 PHE HD1 . C . 149 . HG2 . . . C . 150 . HD1 . . c30414_6civ 1 50 1 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HE2 H . . . . . 3.482 1.966 4.998 . . . . . C . 150 PHE HB3 . . C . 150 PHE HE2 . C . 150 . HB2 . . . C . 150 . HE2 . . c30414_6civ 1 50 2 OR . 1 1 12 12 PHE HB3 H . . . 1 1 12 12 PHE HE1 H . . . . . 3.482 1.966 4.998 . . . . . C . 150 PHE HB3 . . C . 150 PHE HE1 . C . 150 . HB2 . . . C . 150 . HE1 . . c30414_6civ 1 51 1 OR . 1 1 13 13 TYR HB2 H . . . 1 1 13 13 TYR HD2 H . . . . . 2.852 1.835 3.869 . . . . . C . 151 TYR HB2 . . C . 151 TYR HD2 . C . 151 . HB1 . . . C . 151 . HD2 . . c30414_6civ 1 51 2 OR . 1 1 13 13 TYR HB2 H . . . 1 1 13 13 TYR HD1 H . . . . . 2.852 1.835 3.869 . . . . . C . 151 TYR HB2 . . C . 151 TYR HD1 . C . 151 . HB1 . . . C . 151 . HD1 . . c30414_6civ 1 52 1 OR . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR HD2 H . . . . . 2.869 1.840 3.898 . . . . . C . 151 TYR HB3 . . C . 151 TYR HD2 . C . 151 . HB2 . . . C . 151 . HD2 . . c30414_6civ 1 52 2 OR . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR HD1 H . . . . . 2.869 1.840 3.898 . . . . . C . 151 TYR HB3 . . C . 151 TYR HD1 . C . 151 . HB2 . . . C . 151 . HD1 . . c30414_6civ 1 53 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 THR H H . . . . . 2.792 1.817 3.767 . . . . . C . 149 GLU H . . C . 148 THR H . C . 149 . HN . . . C . 148 . HN . . c30414_6civ 1 54 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 PHE H H . . . . . 2.669 1.779 3.559 . . . . . C . 151 TYR H . . C . 150 PHE H . C . 151 . HN . . . C . 150 . HN . . c30414_6civ 1 55 1 . . 1 1 9 9 MET H H . . . 1 1 10 10 THR H H . . . . . 3.350 1.948 4.752 . . . . . C . 147 MET H . . C . 148 THR H . C . 147 . HN . . . C . 148 . HN . . c30414_6civ 1 56 1 . . 1 1 10 10 THR HA H . . . 1 1 11 11 GLU H H . . . . . 2.505 1.721 3.289 . . . . . C . 148 THR HA . . C . 149 GLU H . C . 148 . HA . . . C . 149 . HN . . c30414_6civ 1 57 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 PHE H H . . . . . 3.268 1.933 4.603 . . . . . C . 149 GLU HB3 . . C . 150 PHE H . C . 149 . HB2 . . . C . 150 . HN . . c30414_6civ 1 58 1 . . 1 1 10 10 THR MG H . . . 1 1 10 10 THR HA H . . . . . 2.616 1.760 3.472 . . . . . C . 148 THR MG . . C . 148 THR HA . C . 148 . HG21 . . . C . 148 . HA . . c30414_6civ 1 59 1 . . 1 1 10 10 THR HB H . . . 1 1 10 10 THR MG H . . . . . 2.538 1.733 3.343 . . . . . C . 148 THR HB . . C . 148 THR MG . C . 148 . HB . . . C . 148 . HG21 . . c30414_6civ 1 60 1 . . 1 1 11 11 GLU HB2 H . . . 1 1 11 11 GLU HA H . . . . . 2.476 1.710 3.242 . . . . . C . 149 GLU HB2 . . C . 149 GLU HA . C . 149 . HB1 . . . C . 149 . HA . . c30414_6civ 1 61 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU HA H . . . . . 2.537 1.732 3.342 . . . . . C . 149 GLU HB3 . . C . 149 GLU HA . C . 149 . HB2 . . . C . 149 . HA . . c30414_6civ 1 62 1 . . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HG2 H . . . . . 3.258 1.931 4.585 . . . . . C . 149 GLU HA . . C . 149 GLU HG2 . C . 149 . HA . . . C . 149 . HG1 . . c30414_6civ 1 63 1 . . 1 1 6 6 GLN HB3 H . . . 1 1 6 6 GLN HA H . . . . . 3.190 1.918 4.462 . . . . . C . 144 GLN HB3 . . C . 144 GLN HA . C . 144 . HB2 . . . C . 144 . HA . . c30414_6civ 1 64 1 . . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HA H . . . . . 3.235 1.927 4.543 . . . . . C . 149 GLU HG3 . . C . 149 GLU HA . C . 149 . HG2 . . . C . 149 . HA . . c30414_6civ 1 65 1 . . 1 1 8 8 SER HB3 H . . . 1 1 8 8 SER HB2 H . . . . . 1.843 1.418 2.268 . . . . . C . 146 SER HB3 . . C . 146 SER HB2 . C . 146 . HB2 . . . C . 146 . HB1 . . c30414_6civ 1 66 1 . . 1 1 10 10 THR HB H . . . 1 1 10 10 THR HA H . . . . . 2.466 1.706 3.226 . . . . . C . 148 THR HB . . C . 148 THR HA . C . 148 . HB . . . C . 148 . HA . . c30414_6civ 1 67 1 . . 1 1 8 8 SER HB3 H . . . 1 1 8 8 SER HA H . . . . . 3.261 1.932 4.590 . . . . . C . 146 SER HB3 . . C . 146 SER HA . C . 146 . HB2 . . . C . 146 . HA . . c30414_6civ 1 68 1 . . 1 1 8 8 SER HB2 H . . . 1 1 8 8 SER HA H . . . . . 3.446 1.961 4.931 . . . . . C . 146 SER HB2 . . C . 146 SER HA . C . 146 . HB1 . . . C . 146 . HA . . c30414_6civ 1 69 1 . . 1 1 13 13 TYR HB2 H . . . 1 1 13 13 TYR HB3 H . . . . . 1.693 1.335 2.051 . . . . . C . 151 TYR HB2 . . C . 151 TYR HB3 . C . 151 . HB1 . . . C . 151 . HB2 . . c30414_6civ 1 70 1 . . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HG2 H . . . . . 1.932 1.465 2.399 . . . . . C . 149 GLU HG3 . . C . 149 GLU HG2 . C . 149 . HG2 . . . C . 149 . HG1 . . c30414_6civ 1 71 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 6 6 GLN H H . . . . . 3.507 1.969 5.045 . . . . . C . 143 ARG HB2 . . C . 144 GLN H . C . 143 . HB1 . . . C . 144 . HN . . c30414_6civ 1 72 1 . . 1 1 5 5 ARG HB3 H . . . 1 1 6 6 GLN H H . . . . . 3.508 1.970 5.046 . . . . . C . 143 ARG HB3 . . C . 144 GLN H . C . 143 . HB2 . . . C . 144 . HN . . c30414_6civ 1 73 1 OR . 1 1 8 8 SER HB3 H . . . 1 1 10 10 THR H H . . . . . 2.433 1.693 3.173 . . . . . C . 146 SER HB3 . . C . 148 THR H . C . 146 . HB2 . . . C . 148 . HN . . c30414_6civ 1 73 2 OR . 1 1 10 10 THR HA H . . . 1 1 10 10 THR H H . . . . . 2.433 1.693 3.173 . . . . . C . 148 THR HA . . C . 148 THR H . C . 148 . HA . . . C . 148 . HN . . c30414_6civ 1 74 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG2 H . . . . . 3.497 1.968 5.026 . . . . . C . 143 ARG HA . . C . 143 ARG HG2 . C . 143 . HA . . . C . 143 . HG1 . . c30414_6civ 1 74 2 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG3 H . . . . . 3.497 1.968 5.026 . . . . . C . 143 ARG HA . . C . 143 ARG HG3 . C . 143 . HA . . . C . 143 . HG2 . . c30414_6civ 1 75 1 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 ARG HB2 H . . . . . 2.548 1.737 3.359 . . . . . C . 143 ARG H . . C . 142 ARG HB2 . C . 143 . HN . . . C . 142 . HB1 . . c30414_6civ 1 75 2 OR . 1 1 5 5 ARG HB3 H . . . 1 1 5 5 ARG H H . . . . . 2.548 1.737 3.359 . . . . . C . 143 ARG HB3 . . C . 143 ARG H . C . 143 . HB2 . . . C . 143 . HN . . c30414_6civ 1 76 1 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 ARG HG2 H . . . . . 3.116 1.903 4.329 . . . . . C . 143 ARG H . . C . 142 ARG HG2 . C . 143 . HN . . . C . 142 . HG1 . . c30414_6civ 1 76 2 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 3.116 1.903 4.329 . . . . . C . 143 ARG H . . C . 143 ARG HG2 . C . 143 . HN . . . C . 143 . HG1 . . c30414_6civ 1 76 3 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG3 H . . . . . 3.116 1.903 4.329 . . . . . C . 143 ARG H . . C . 143 ARG HG3 . C . 143 . HN . . . C . 143 . HG2 . . c30414_6civ 1 77 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG H H . . . . . 2.052 1.526 2.578 . . . . . C . 143 ARG HA . . C . 143 ARG H . C . 143 . HA . . . C . 143 . HN . . c30414_6civ 1 77 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG H H . . . . . 2.052 1.526 2.578 . . . . . C . 142 ARG HA . . C . 142 ARG H . C . 142 . HA . . . C . 142 . HN . . c30414_6civ 1 77 3 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 ARG HA H . . . . . 2.052 1.526 2.578 . . . . . C . 143 ARG H . . C . 142 ARG HA . C . 143 . HN . . . C . 142 . HA . . c30414_6civ 1 78 1 OR . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HA H . . . . . 2.331 1.652 3.010 . . . . . C . 144 GLN H . . C . 144 GLN HA . C . 144 . HN . . . C . 144 . HA . . c30414_6civ 1 78 2 OR . 1 1 5 5 ARG HA H . . . 1 1 6 6 GLN H H . . . . . 2.331 1.652 3.010 . . . . . C . 143 ARG HA . . C . 144 GLN H . C . 143 . HA . . . C . 144 . HN . . c30414_6civ 1 79 1 OR . 1 1 10 10 THR HA H . . . 1 1 11 11 GLU H H . . . . . 2.486 1.713 3.259 . . . . . C . 148 THR HA . . C . 149 GLU H . C . 148 . HA . . . C . 149 . HN . . c30414_6civ 1 79 2 OR . 1 1 8 8 SER HB3 H . . . 1 1 11 11 GLU H H . . . . . 2.486 1.713 3.259 . . . . . C . 146 SER HB3 . . C . 149 GLU H . C . 146 . HB2 . . . C . 149 . HN . . c30414_6civ 1 80 1 OR . 1 1 9 9 MET HB3 H . . . 1 1 10 10 THR H H . . . . . 2.908 1.851 3.965 . . . . . C . 147 MET HB3 . . C . 148 THR H . C . 147 . HB2 . . . C . 148 . HN . . c30414_6civ 1 80 2 OR . 1 1 9 9 MET HB2 H . . . 1 1 10 10 THR H H . . . . . 2.908 1.851 3.965 . . . . . C . 147 MET HB2 . . C . 148 THR H . C . 147 . HB1 . . . C . 148 . HN . . c30414_6civ 1 81 1 OR . 1 1 9 9 MET HA H . . . 1 1 9 9 MET HB2 H . . . . . 2.915 1.853 3.977 . . . . . C . 147 MET HA . . C . 147 MET HB2 . C . 147 . HA . . . C . 147 . HB1 . . c30414_6civ 1 81 2 OR . 1 1 9 9 MET HA H . . . 1 1 9 9 MET HB3 H . . . . . 2.915 1.853 3.977 . . . . . C . 147 MET HA . . C . 147 MET HB3 . C . 147 . HA . . . C . 147 . HB2 . . c30414_6civ 1 82 1 OR . 1 1 6 6 GLN HB2 H . . . 1 1 6 6 GLN HG2 H . . . . . 2.623 1.763 3.483 . . . . . C . 144 GLN HB2 . . C . 144 GLN HG2 . C . 144 . HB1 . . . C . 144 . HG1 . . c30414_6civ 1 82 2 OR . 1 1 6 6 GLN HG3 H . . . 1 1 6 6 GLN HB2 H . . . . . 2.623 1.763 3.483 . . . . . C . 144 GLN HG3 . . C . 144 GLN HB2 . C . 144 . HG2 . . . C . 144 . HB1 . . c30414_6civ 1 83 1 OR . 1 1 6 6 GLN HG3 H . . . 1 1 6 6 GLN HB3 H . . . . . 2.537 1.733 3.341 . . . . . C . 144 GLN HG3 . . C . 144 GLN HB3 . C . 144 . HG2 . . . C . 144 . HB2 . . c30414_6civ 1 83 2 OR . 1 1 6 6 GLN HB3 H . . . 1 1 6 6 GLN HG2 H . . . . . 2.537 1.733 3.341 . . . . . C . 144 GLN HB3 . . C . 144 GLN HG2 . C . 144 . HB2 . . . C . 144 . HG1 . . c30414_6civ 1 84 1 OR . 1 1 9 9 MET H H . . . 1 1 9 9 MET HB3 H . . . . . 2.806 1.822 3.790 . . . . . C . 147 MET H . . C . 147 MET HB3 . C . 147 . HN . . . C . 147 . HB2 . . c30414_6civ 1 84 2 OR . 1 1 9 9 MET H H . . . 1 1 9 9 MET HB2 H . . . . . 2.806 1.822 3.790 . . . . . C . 147 MET H . . C . 147 MET HB2 . C . 147 . HN . . . C . 147 . HB1 . . c30414_6civ 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 ; # Restraints file 2: ACR2_unambig.tbl Linker ; 1 1 2 6 c30414_6civ 1 2 Intraresidual 7 1 7 13 c30414_6civ 1 3 Sequential 55 1 55 10 c30414_6civ 1 4 Medium 68 1 68 6 c30414_6civ 1 5 '# Restraints file 3: ACR2_ambig.tbl' 115 1 115 35 c30414_6civ 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 'spec=Expt_29, no=50, id=0, vol=3.113779e-03' 3 127 3 172 c30414_6civ 1 2 'spec=Expt_29, no=162, id=67, vol=3.551025e-04' 4 127 4 174 c30414_6civ 1 3 'spec=Expt_29, no=163, id=68, vol=4.636471e-04' 5 127 5 174 c30414_6civ 1 4 'spec=Expt_29, no=53, id=2, vol=4.302774e-04' 8 127 8 172 c30414_6civ 1 5 'spec=Expt_29, no=57, id=4, vol=9.164962e-04' 10 127 10 172 c30414_6civ 1 6 'spec=Expt_29, no=56, id=3, vol=2.252457e-02' 9 127 9 172 c30414_6civ 1 7 'spec=Expt_29, no=58, id=5, vol=2.118430e-03' 12 127 12 172 c30414_6civ 1 8 'spec=Expt_29, no=59, id=6, vol=3.995583e-04' 14 127 14 172 c30414_6civ 1 9 'spec=Expt_29, no=61, id=7, vol=8.321024e-04' 16 127 16 172 c30414_6civ 1 10 'spec=Expt_29, no=62, id=8, vol=3.251855e-04' 17 127 17 172 c30414_6civ 1 11 'spec=Expt_29, no=68, id=9, vol=1.155741e-04' 18 127 18 172 c30414_6civ 1 12 'spec=Expt_29, no=69, id=10, vol=1.718858e-04' 19 127 19 173 c30414_6civ 1 13 'spec=Expt_29, no=71, id=11, vol=5.234028e-04' 20 127 20 173 c30414_6civ 1 14 'spec=Expt_29, no=72, id=12, vol=5.572680e-04' 21 127 21 173 c30414_6civ 1 15 'spec=Expt_29, no=73, id=13, vol=5.572680e-04' 22 127 22 173 c30414_6civ 1 16 'spec=Expt_29, no=75, id=15, vol=4.817269e-04' 23 127 23 173 c30414_6civ 1 17 'spec=Expt_29, no=76, id=16, vol=2.095727e-03' 24 127 24 173 c30414_6civ 1 18 'spec=Expt_29, no=77, id=17, vol=2.850559e-04' 25 127 25 173 c30414_6civ 1 19 'spec=Expt_29, no=81, id=21, vol=3.409168e-04' 26 127 26 173 c30414_6civ 1 20 'spec=Expt_29, no=85, id=23, vol=5.389138e-03' 27 127 27 173 c30414_6civ 1 21 'spec=Expt_29, no=89, id=25, vol=7.794725e-04' 28 127 28 173 c30414_6civ 1 22 'spec=Expt_29, no=90, id=26, vol=4.573789e-04' 29 127 29 173 c30414_6civ 1 23 'spec=Expt_29, no=91, id=27, vol=7.512160e-04' 30 127 30 173 c30414_6civ 1 24 'spec=Expt_29, no=112, id=31, vol=8.496047e-05' 31 127 31 174 c30414_6civ 1 25 'spec=Expt_29, no=115, id=33, vol=2.497173e-04' 32 127 32 174 c30414_6civ 1 26 'spec=Expt_29, no=116, id=34, vol=4.256697e-04' 33 127 33 174 c30414_6civ 1 27 'spec=Expt_29, no=125, id=35, vol=1.033464e-04' 34 127 34 174 c30414_6civ 1 28 'spec=Expt_29, no=127, id=37, vol=6.706406e-04' 36 127 36 174 c30414_6civ 1 29 'spec=Expt_29, no=126, id=36, vol=6.368681e-04' 35 127 35 174 c30414_6civ 1 30 'spec=Expt_29, no=128, id=38, vol=3.974322e-04' 39 127 39 174 c30414_6civ 1 31 'spec=Expt_29, no=129, id=39, vol=3.452060e-04' 40 127 40 174 c30414_6civ 1 32 'spec=Expt_29, no=131, id=41, vol=6.587621e-03' 42 127 42 174 c30414_6civ 1 33 'spec=Expt_29, no=130, id=40, vol=7.805413e-04' 41 127 41 174 c30414_6civ 1 34 'spec=Expt_29, no=134, id=43, vol=7.582373e-04' 46 127 46 174 c30414_6civ 1 35 'spec=Expt_29, no=135, id=44, vol=7.073544e-04' 47 127 47 174 c30414_6civ 1 36 'spec=Expt_29, no=136, id=45, vol=9.103551e-04' 48 127 48 174 c30414_6civ 1 37 'spec=Expt_29, no=137, id=46, vol=1.205105e-03' 49 127 49 174 c30414_6civ 1 38 'spec=Expt_29, no=138, id=47, vol=5.646959e-04' 50 127 50 174 c30414_6civ 1 39 'spec=Expt_29, no=140, id=49, vol=2.860039e-04' 51 127 51 174 c30414_6civ 1 40 'spec=Expt_29, no=147, id=53, vol=2.161969e-04' 52 127 52 174 c30414_6civ 1 41 'spec=Expt_29, no=149, id=55, vol=2.655851e-04' 53 127 53 174 c30414_6civ 1 42 'spec=Expt_29, no=79, id=19, vol=1.134256e-03' 56 127 56 173 c30414_6civ 1 43 'spec=Expt_29, no=139, id=48, vol=7.571013e-04' 57 127 57 174 c30414_6civ 1 44 'spec=Expt_29, no=146, id=52, vol=2.779004e-03' 58 127 58 174 c30414_6civ 1 45 'spec=Expt_29, no=148, id=54, vol=1.360962e-04' 59 127 59 174 c30414_6civ 1 46 'spec=Expt_29, no=150, id=56, vol=8.786049e-05' 60 127 60 174 c30414_6civ 1 47 'spec=Expt_29, no=155, id=60, vol=8.565343e-04' 61 127 61 174 c30414_6civ 1 48 'spec=Expt_29, no=156, id=61, vol=4.876716e-04' 62 127 62 174 c30414_6civ 1 49 'spec=Expt_29, no=157, id=62, vol=2.506358e-04' 63 127 63 174 c30414_6civ 1 50 'spec=Expt_29, no=158, id=63, vol=1.577152e-04' 64 127 64 174 c30414_6civ 1 51 'spec=Expt_29, no=159, id=64, vol=2.570984e-04' 65 127 65 174 c30414_6civ 1 52 'spec=Expt_29, no=160, id=65, vol=2.790593e-04' 66 127 66 174 c30414_6civ 1 53 'spec=Expt_29, no=152, id=58, vol=2.272949e-04' 69 127 69 174 c30414_6civ 1 54 'spec=Expt_29, no=153, id=59, vol=1.903189e-04' 70 127 70 174 c30414_6civ 1 55 'spec=Expt_29, no=164, id=69, vol=4.739641e-04' 71 127 71 174 c30414_6civ 1 56 'spec=Expt_29, no=166, id=71, vol=2.648749e-04' 72 127 72 174 c30414_6civ 1 57 'spec=Expt_29, no=168, id=73, vol=1.255484e-04' 74 127 74 174 c30414_6civ 1 58 'spec=Expt_29, no=167, id=72, vol=2.529226e-04' 73 127 73 174 c30414_6civ 1 59 'spec=Expt_29, no=170, id=75, vol=1.521922e-04' 78 127 78 174 c30414_6civ 1 60 'spec=Expt_29, no=169, id=74, vol=1.106910e-03' 77 127 77 174 c30414_6civ 1 61 'spec=Expt_29, no=171, id=76, vol=1.296833e-04' 80 127 80 174 c30414_6civ 1 62 'spec=Expt_29, no=172, id=77, vol=1.238400e-04' 82 127 82 174 c30414_6civ 1 63 'spec=Expt_29, no=173, id=78, vol=1.330173e-04' 84 127 84 174 c30414_6civ 1 64 'spec=Expt_29, no=174, id=79, vol=5.738145e-04' 86 127 86 174 c30414_6civ 1 65 'spec=Expt_29, no=175, id=80, vol=5.497331e-04' 88 127 88 174 c30414_6civ 1 66 'spec=Expt_29, no=178, id=81, vol=5.726132e-04' 90 127 90 174 c30414_6civ 1 67 'spec=Expt_29, no=179, id=82, vol=6.713382e-04' 91 127 91 174 c30414_6civ 1 68 'spec=Expt_29, no=182, id=85, vol=1.517719e-04' 92 127 92 174 c30414_6civ 1 69 'spec=Expt_29, no=183, id=86, vol=1.443603e-04' 93 127 93 174 c30414_6civ 1 70 'spec=Expt_29, no=188, id=90, vol=1.031336e-03' 94 127 94 174 c30414_6civ 1 71 'spec=Expt_29, no=216, id=117, vol=7.927493e-04' 96 127 96 175 c30414_6civ 1 72 'spec=Expt_29, no=207, id=109, vol=2.037684e-04' 95 127 95 175 c30414_6civ 1 73 'spec=Expt_29, no=217, id=118, vol=1.070491e-03' 99 127 99 175 c30414_6civ 1 74 'spec=Expt_29, no=219, id=119, vol=1.302252e-03' 102 127 102 175 c30414_6civ 1 75 'spec=Expt_29, no=220, id=120, vol=1.085374e-03' 103 127 103 175 c30414_6civ 1 76 'spec=Expt_29, no=221, id=121, vol=1.944347e-04' 104 127 104 175 c30414_6civ 1 77 'spec=Expt_29, no=225, id=124, vol=2.755107e-04' 105 127 105 175 c30414_6civ 1 78 'spec=Expt_29, no=226, id=125, vol=2.305378e-04' 106 127 106 175 c30414_6civ 1 79 'spec=Expt_29, no=227, id=126, vol=6.375701e-03' 107 127 107 175 c30414_6civ 1 80 'spec=Expt_29, no=228, id=127, vol=9.825342e-04' 108 127 108 175 c30414_6civ 1 81 'spec=Expt_29, no=230, id=129, vol=3.341649e-04' 109 127 109 175 c30414_6civ 1 82 'spec=Expt_29, no=231, id=130, vol=2.133134e-04' 110 127 110 175 c30414_6civ 1 83 'spec=Expt_29, no=232, id=131, vol=1.125532e-02' 111 127 111 175 c30414_6civ 1 84 'spec=Expt_29, no=237, id=136, vol=5.800150e-03' 112 127 112 175 c30414_6civ 1 85 'spec=Expt_29, no=243, id=142, vol=1.514962e-04' 113 127 113 175 c30414_6civ 1 86 'spec=Expt_29, no=244, id=143, vol=1.600741e-04' 114 127 114 175 c30414_6civ 1 87 'spec=Expt_29, no=52, id=1, vol=1.202981e-03' 116 127 116 172 c30414_6civ 1 88 'spec=Expt_29, no=74, id=14, vol=1.233550e-03' 120 127 120 173 c30414_6civ 1 89 'spec=Expt_29, no=78, id=18, vol=1.301449e-03' 122 127 122 173 c30414_6civ 1 90 'spec=Expt_29, no=98, id=30, vol=1.292782e-04' 124 127 124 173 c30414_6civ 1 91 'spec=Expt_29, no=92, id=28, vol=9.862478e-04' 127 127 127 173 c30414_6civ 1 92 'spec=Expt_29, no=93, id=29, vol=2.844411e-04' 130 127 130 173 c30414_6civ 1 93 'spec=Expt_29, no=114, id=32, vol=3.846713e-03' 135 127 135 174 c30414_6civ 1 94 'spec=Expt_29, no=142, id=50, vol=1.687954e-03' 138 127 138 174 c30414_6civ 1 95 'spec=Expt_29, no=145, id=51, vol=8.367767e-04' 140 127 140 174 c30414_6civ 1 96 'spec=Expt_29, no=151, id=57, vol=1.100837e-03' 142 127 142 174 c30414_6civ 1 97 'spec=Expt_29, no=161, id=66, vol=4.130181e-04' 144 127 144 174 c30414_6civ 1 98 'spec=Expt_29, no=222, id=122, vol=4.451159e-04' 146 127 146 175 c30414_6civ 1 99 'spec=Expt_29, no=223, id=123, vol=6.799274e-04' 148 127 148 175 c30414_6civ 1 100 'spec=Expt_29, no=235, id=134, vol=9.147500e-04' 150 127 150 175 c30414_6civ 1 101 'spec=Expt_29, no=236, id=135, vol=1.118070e-03' 152 127 152 175 c30414_6civ 1 102 'spec=Expt_29, no=240, id=139, vol=2.706644e-03' 154 127 154 175 c30414_6civ 1 103 'spec=Expt_29, no=241, id=140, vol=5.567745e-04' 157 127 157 175 c30414_6civ 1 104 'spec=Expt_29, no=242, id=141, vol=1.335702e-04' 159 127 159 175 c30414_6civ 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) 'C.145.HD1' (nmrStar names) not linked" c30414_6civ 1 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'C.145.HD1' (nmrStar names) not linked" c30414_6civ 1 3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'C.145.HD1' (nmrStar names) not linked" c30414_6civ 1 4 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'C.145.HA' (nmrStar names),'C.145.HN' (nmrStar names) not linked" c30414_6civ 1 5 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'C.145.HN' (nmrStar names),'C.145.HG2' (nmrStar names) not linked" c30414_6civ 1 6 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'C.145.HN' (nmrStar names),'C.145.HG1' (nmrStar names) not linked" c30414_6civ 1 7 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'C.145.HD1' (nmrStar names),'C.145.HA' (nmrStar names) not linked" c30414_6civ 1 8 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'C.145.HD1' (nmrStar names),'C.145.HG2' (nmrStar names) not linked" c30414_6civ 1 9 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'C.145.HD1' (nmrStar names),'C.145.HG1' (nmrStar names) not linked" c30414_6civ 1 10 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'C.145.HA' (nmrStar names),'C.145.HG1' (nmrStar names) not linked" c30414_6civ 1 11 3 30 1 "Not handling restraint 30, item 1, resonance(s) 'C.145.HA' (nmrStar names),'C.145.HG2' (nmrStar names) not linked" c30414_6civ 1 12 3 44 1 "Not handling restraint 44, item 1, resonance(s) 'C.145.HN' (nmrStar names) not linked" c30414_6civ 1 13 3 59 1 "Not handling restraint 59, item 1, resonance(s) 'C.145.HD1' (nmrStar names) not linked" c30414_6civ 1 14 3 69 1 "Not handling restraint 69, item 1, resonance(s) 'C.145.HD1' (nmrStar names) not linked" c30414_6civ 1 15 3 88 1 "Not handling restraint 88, item 2, resonance(s) 'C.145.HN' (nmrStar names),'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 16 3 88 1 "Not handling restraint 88, item 3, resonance(s) 'C.145.HN' (nmrStar names),'C.145.HB1' (nmrStar names) not linked" c30414_6civ 1 17 3 89 1 "Not handling restraint 89, item 2, resonance(s) 'C.145.HD1' (nmrStar names),'C.145.HB1' (nmrStar names) not linked" c30414_6civ 1 18 3 89 1 "Not handling restraint 89, item 3, resonance(s) 'C.145.HD1' (nmrStar names),'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 19 3 95 1 "Not handling restraint 95, item 3, resonance(s) 'C.145.HA' (nmrStar names) not linked" c30414_6civ 1 20 3 99 1 "Not handling restraint 99, item 2, resonance(s) 'C.145.HA' (nmrStar names),'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 21 3 99 1 "Not handling restraint 99, item 3, resonance(s) 'C.145.HA' (nmrStar names),'C.145.HB1' (nmrStar names) not linked" c30414_6civ 1 22 3 102 1 "Not handling restraint 102, item 2, resonance(s) 'C.145.HG2' (nmrStar names),'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 23 3 102 1 "Not handling restraint 102, item 3, resonance(s) 'C.145.HG1' (nmrStar names),'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 24 3 102 1 "Not handling restraint 102, item 4, resonance(s) 'C.145.HG1' (nmrStar names),'C.145.HB1' (nmrStar names) not linked" c30414_6civ 1 25 3 104 1 "Not handling restraint 104, item 2, resonance(s) 'C.145.HB1' (nmrStar names) not linked" c30414_6civ 1 26 3 104 1 "Not handling restraint 104, item 3, resonance(s) 'C.145.HB2' (nmrStar names) not linked" c30414_6civ 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c30414_6civ _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 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 . . . . c30414_6civ 2 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 11 11 GLU H H . . . 1 1 8 8 SER O O . . . . . 1.8 1.8 2.3 . . . . . C . 149 GLU H . . C . 146 SER O . . . 149 . HN . . . . . 146 . O . . c30414_6civ 2 2 1 . . 1 1 8 8 SER O O . . . 1 1 11 11 GLU N N . . . . . 2.8 2.8 3.3 . . . . . C . 146 SER O . . C . 149 GLU N . . . 146 . O . . . . . 149 . N . . c30414_6civ 2 3 1 . . 1 1 10 10 THR H H . . . 1 1 10 10 THR OG1 O . . . . . 1.8 1.8 2.3 . . . . . C . 148 THR H . . C . 148 THR OG1 . . . 148 . HN . . . . . 148 . OG1 . . c30414_6civ 2 4 1 . . 1 1 11 11 GLU N N . . . 1 1 10 10 THR OG1 O . . . . . 2.8 2.8 3.3 . . . . . C . 149 GLU N . . C . 148 THR OG1 . . . 149 . N . . . . . 148 . OG1 . . c30414_6civ 2 5 1 . . 1 1 12 12 PHE H H . . . 1 1 9 9 MET O O . . . . . 1.8 1.8 2.3 . . . . . C . 150 PHE H . . C . 147 MET O . . . 150 . HN . . . . . 147 . O . . c30414_6civ 2 6 1 . . 1 1 9 9 MET O O . . . 1 1 12 12 PHE N N . . . . . 2.8 2.8 3.3 . . . . . C . 147 MET O . . C . 150 PHE N . . . 147 . O . . . . . 150 . N . . c30414_6civ 2 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 4: ACR2_hbond.tbl' 1 1 1 35 c30414_6civ 2 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Entry_ID c30414_6civ _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 2 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 . . . . c30414_6civ 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '# Restraints file 1: ACR2_scalar_restraints.tbl' 1 1 1 47 c30414_6civ 1 2 'assign (resid 147 and name C ) (resid 148 and name N ) (resid 148 and name CA) (resid 148 and name C ) 6.372 2' 2 1 4 4 c30414_6civ 1 3 'assign (resid 148 and name C ) (resid 149 and name N ) (resid 149 and name CA) (resid 149 and name C ) 5.790 2' 5 1 7 4 c30414_6civ 1 4 'assign (resid 149 and name C ) (resid 150 and name N ) (resid 150 and name CA) (resid 150 and name C ) 7.890 2' 8 1 10 4 c30414_6civ 1 5 'assign (resid 150 and name C ) (resid 151 and name N ) (resid 151 and name CA) (resid 151 and name C ) 6.726 2' 11 1 13 4 c30414_6civ 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 c30414_6civ _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 BIOSYNTHETIC PROTEIN 25-FEB-18 6CIV *TITLE LACTAM CYCLISED MIMETIC OF A FRAGMENT OF P21 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: P21; *COMPND 3 CHAIN: C; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS PIP-BOX MOTIF, P21, CONSTRAINED, PEPTIDOMIMETIC, BIOSYNTHETIC PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR K.L.WEGENER *REVDAT 1 04-JUL-18 6CIV 0' save_