NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
625568 | 6cei | 30406 | cing | 4-filtered-FRED | STAR | entry | full | 89 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6cei # This FRED archive file contains, for PDB entry <6cei>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6cei _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6cei _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3331.84 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $G117 A . 1 1 stop_ save_ save_G117 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name G117 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CAVTHEKCSDDYDCCGSLCCVGICAKTIAPCK _Entity.Number_of_monomers 32 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 CYS . 1 1 2 ALA . 1 1 3 VAL . 1 1 4 THR . 1 1 5 HIS . 1 1 6 GLU . 1 1 7 LYS . 1 1 8 CYS . 1 1 9 SER . 1 1 10 ASP . 1 1 11 ASP . 1 1 12 TYR . 1 1 13 ASP . 1 1 14 CYS . 1 1 15 CYS . 1 1 16 GLY . 1 1 17 SER . 1 1 18 LEU . 1 1 19 CYS . 1 1 20 CYS . 1 1 21 VAL . 1 1 22 GLY . 1 1 23 ILE . 1 1 24 CYS . 1 1 25 ALA . 1 1 26 LYS . 1 1 27 THR . 1 1 28 ILE . 1 1 29 ALA . 1 1 30 PRO . 1 1 31 CYS . 1 1 32 LYS . 1 1 stop_ loop_ _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 CYS 1 1 1 1 ALA 2 2 1 1 VAL 3 3 1 1 THR 4 4 1 1 HIS 5 5 1 1 GLU 6 6 1 1 LYS 7 7 1 1 CYS 8 8 1 1 SER 9 9 1 1 ASP 10 10 1 1 ASP 11 11 1 1 TYR 12 12 1 1 ASP 13 13 1 1 CYS 14 14 1 1 CYS 15 15 1 1 GLY 16 16 1 1 SER 17 17 1 1 LEU 18 18 1 1 CYS 19 19 1 1 CYS 20 20 1 1 VAL 21 21 1 1 GLY 22 22 1 1 ILE 23 23 1 1 CYS 24 24 1 1 ALA 25 25 1 1 LYS 26 26 1 1 THR 27 27 1 1 ILE 28 28 1 1 ALA 29 29 1 1 PRO 30 30 1 1 CYS 31 31 1 1 LYS 32 32 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 ALA H . 2 . HN 1 1 1 1 2 1 1 13 ASP O . 13 . O 1 1 2 1 1 1 1 2 ALA N . 2 . N 1 1 2 1 2 1 1 13 ASP O . 13 . O 1 1 3 1 1 1 1 2 ALA O . 2 . O 1 1 3 1 2 1 1 15 CYS H . 15 . HN 1 1 4 1 1 1 1 2 ALA O . 2 . O 1 1 4 1 2 1 1 15 CYS N . 15 . N 1 1 5 1 1 1 1 3 VAL H . 3 . HN 1 1 5 1 2 1 1 6 GLU OE1 . 6 . OE1 1 1 5 1 2 1 1 6 GLU OE2 . 6 . OE2 1 1 6 1 1 1 1 3 VAL N . 3 . N 1 1 6 1 2 1 1 6 GLU OE1 . 6 . OE1 1 1 6 1 2 1 1 6 GLU OE2 . 6 . OE2 1 1 7 1 1 1 1 3 VAL O . 3 . O 1 1 7 1 2 1 1 6 GLU H . 6 . HN 1 1 8 1 1 1 1 3 VAL O . 3 . O 1 1 8 1 2 1 1 6 GLU N . 6 . N 1 1 9 1 1 1 1 5 HIS H . 5 . HN 1 1 9 1 2 1 1 24 CYS O . 24 . O 1 1 10 1 1 1 1 5 HIS N . 5 . N 1 1 10 1 2 1 1 24 CYS O . 24 . O 1 1 11 1 1 1 1 6 GLU O . 6 . O 1 1 11 1 2 1 1 24 CYS H . 24 . HN 1 1 12 1 1 1 1 6 GLU O . 6 . O 1 1 12 1 2 1 1 24 CYS N . 24 . N 1 1 13 1 1 1 1 8 CYS H . 8 . HN 1 1 13 1 2 1 1 22 GLY O . 22 . O 1 1 14 1 1 1 1 8 CYS N . 8 . N 1 1 14 1 2 1 1 22 GLY O . 22 . O 1 1 15 1 1 1 1 9 SER H . 9 . HN 1 1 15 1 2 1 1 13 ASP OD1 . 13 . OD1 1 1 15 1 2 1 1 13 ASP OD2 . 13 . OD2 1 1 16 1 1 1 1 9 SER N . 9 . N 1 1 16 1 2 1 1 13 ASP OD1 . 13 . OD1 1 1 16 1 2 1 1 13 ASP OD2 . 13 . OD2 1 1 17 1 1 1 1 10 ASP O . 10 . O 1 1 17 1 2 1 1 13 ASP H . 13 . HN 1 1 18 1 1 1 1 10 ASP O . 10 . O 1 1 18 1 2 1 1 13 ASP N . 13 . N 1 1 19 1 1 1 1 10 ASP OD1 . 10 . OD1 1 1 19 1 1 1 1 10 ASP OD2 . 10 . OD2 1 1 19 1 2 1 1 12 TYR H . 12 . HN 1 1 20 1 1 1 1 10 ASP OD1 . 10 . OD1 1 1 20 1 1 1 1 10 ASP OD2 . 10 . OD2 1 1 20 1 2 1 1 12 TYR N . 12 . N 1 1 21 1 1 1 1 11 ASP O . 11 . O 1 1 21 1 2 1 1 14 CYS H . 14 . HN 1 1 22 1 1 1 1 11 ASP O . 11 . O 1 1 22 1 2 1 1 14 CYS N . 14 . N 1 1 23 1 1 1 1 11 ASP OD1 . 11 . OD1 1 1 23 1 1 1 1 11 ASP OD2 . 11 . OD2 1 1 23 1 2 1 1 20 CYS H . 20 . HN 1 1 24 1 1 1 1 11 ASP OD1 . 11 . OD1 1 1 24 1 1 1 1 11 ASP OD2 . 11 . OD2 1 1 24 1 2 1 1 20 CYS N . 20 . N 1 1 25 1 1 1 1 15 CYS O . 15 . O 1 1 25 1 2 1 1 18 LEU H . 18 . HN 1 1 26 1 1 1 1 15 CYS O . 15 . O 1 1 26 1 2 1 1 18 LEU N . 18 . N 1 1 27 1 1 1 1 19 CYS H . 19 . HN 1 1 27 1 2 1 1 25 ALA O . 25 . O 1 1 28 1 1 1 1 19 CYS N . 19 . N 1 1 28 1 2 1 1 25 ALA O . 25 . O 1 1 29 1 1 1 1 19 CYS O . 19 . O 1 1 29 1 2 1 1 25 ALA H . 25 . HN 1 1 30 1 1 1 1 19 CYS O . 19 . O 1 1 30 1 2 1 1 25 ALA N . 25 . N 1 1 31 1 1 1 1 21 VAL H . 21 . HN 1 1 31 1 2 1 1 23 ILE O . 23 . O 1 1 32 1 1 1 1 21 VAL N . 21 . N 1 1 32 1 2 1 1 23 ILE O . 23 . O 1 1 33 1 1 1 1 21 VAL O . 21 . O 1 1 33 1 2 1 1 23 ILE H . 23 . HN 1 1 34 1 1 1 1 21 VAL O . 21 . O 1 1 34 1 2 1 1 23 ILE N . 23 . N 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.3 0.0 2.3 1 1 2 1 . . . . . 3.3 0.0 3.3 1 1 3 1 . . . . . 2.3 0.0 2.3 1 1 4 1 . . . . . 3.3 0.0 3.3 1 1 5 1 . . . . . 2.3 0.0 2.3 1 1 6 1 . . . . . 3.3 0.0 3.3 1 1 7 1 . . . . . 2.3 0.0 2.3 1 1 8 1 . . . . . 3.3 0.0 3.3 1 1 9 1 . . . . . 2.3 0.0 2.3 1 1 10 1 . . . . . 3.3 0.0 3.3 1 1 11 1 . . . . . 2.3 0.0 2.3 1 1 12 1 . . . . . 3.3 0.0 3.3 1 1 13 1 . . . . . 2.3 0.0 2.3 1 1 14 1 . . . . . 3.3 0.0 3.3 1 1 15 1 . . . . . 2.3 0.0 2.3 1 1 16 1 . . . . . 3.3 0.0 3.3 1 1 17 1 . . . . . 2.3 0.0 2.3 1 1 18 1 . . . . . 3.3 0.0 3.3 1 1 19 1 . . . . . 2.3 0.0 2.3 1 1 20 1 . . . . . 3.3 0.0 3.3 1 1 21 1 . . . . . 2.3 0.0 2.3 1 1 22 1 . . . . . 3.3 0.0 3.3 1 1 23 1 . . . . . 2.3 0.0 2.3 1 1 24 1 . . . . . 3.3 1.0 3.3 1 1 25 1 . . . . . 2.3 0.0 2.3 1 1 26 1 . . . . . 3.3 0.0 3.3 1 1 27 1 . . . . . 2.3 0.0 2.3 1 1 28 1 . . . . . 3.3 0.0 3.3 1 1 29 1 . . . . . 2.3 0.0 2.3 1 1 30 1 . . . . . 3.3 0.0 3.3 1 1 31 1 . . . . . 2.3 0.0 2.3 1 1 32 1 . . . . . 3.3 0.0 3.3 1 1 33 1 . . . . . 2.3 0.0 2.3 1 1 34 1 . . . . . 3.3 0.0 3.3 1 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 CYS C 1 1 2 ALA N 1 1 2 ALA CA 1 1 2 ALA C -159.0 -71.8 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 ALA N 1 1 2 ALA CA 1 1 2 ALA C 1 1 3 VAL N 115.9 175.3 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1 3 . 1 1 2 ALA C 1 1 3 VAL N 1 1 3 VAL CA 1 1 3 VAL C -153.5 -64.3 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 4 . 1 1 3 VAL N 1 1 3 VAL CA 1 1 3 VAL C 1 1 4 THR N 137.6 184.2 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 5 . 1 1 3 VAL C 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C -90.1 -30.100002 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 6 . 1 1 5 HIS N 1 1 5 HIS CA 1 1 5 HIS C 1 1 6 GLU N -41.699997 -1.7 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 7 . 1 1 7 LYS C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -159.19998 -118.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 8 . 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C 1 1 9 SER N 137.4 177.4 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 9 . 1 1 9 SER C 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP C -198.5 -73.7 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 10 . 1 1 10 ASP N 1 1 10 ASP CA 1 1 10 ASP C 1 1 11 ASP N 141.6 181.8 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 11 . 1 1 10 ASP C 1 1 11 ASP N 1 1 11 ASP CA 1 1 11 ASP C -81.1 -41.1 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 12 . 1 1 11 ASP N 1 1 11 ASP CA 1 1 11 ASP C 1 1 12 TYR N -52.6 -6.8 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 13 . 1 1 11 ASP C 1 1 12 TYR N 1 1 12 TYR CA 1 1 12 TYR C -93.2 -53.199997 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 14 . 1 1 12 TYR N 1 1 12 TYR CA 1 1 12 TYR C 1 1 13 ASP N -37.1 3.7 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 15 . 1 1 12 TYR C 1 1 13 ASP N 1 1 13 ASP CA 1 1 13 ASP C -105.1 -65.09999 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 16 . 1 1 13 ASP N 1 1 13 ASP CA 1 1 13 ASP C 1 1 14 CYS N -36.1 5.3 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 17 . 1 1 13 ASP C 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C -198.0 -58.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 18 . 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C 1 1 15 CYS N 108.59999 188.19998 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 19 . 1 1 14 CYS C 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS C -186.0 -55.6 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 20 . 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS C 1 1 16 GLY N 125.59999 183.6 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1 21 . 1 1 16 GLY C 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C -130.5 -59.099995 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 22 . 1 1 17 SER C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -141.0 -52.4 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 23 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C 1 1 19 CYS N 117.8 157.8 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 24 . 1 1 18 LEU C 1 1 19 CYS N 1 1 19 CYS CA 1 1 19 CYS C -175.8 -123.200005 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 25 . 1 1 19 CYS N 1 1 19 CYS CA 1 1 19 CYS C 1 1 20 CYS N 143.9 183.9 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 26 . 1 1 19 CYS C 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS C -159.8 -83.2 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 27 . 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS C 1 1 21 VAL N 118.59999 158.59999 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1 28 . 1 1 20 CYS C 1 1 21 VAL N 1 1 21 VAL CA 1 1 21 VAL C -140.89998 -81.49999 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 29 . 1 1 22 GLY C 1 1 23 ILE N 1 1 23 ILE CA 1 1 23 ILE C -163.5 -95.7 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1 30 . 1 1 23 ILE N 1 1 23 ILE CA 1 1 23 ILE C 1 1 24 CYS N 115.5 166.9 . 23 . N . 23 . CA . 23 . C . 24 . N 1 1 31 . 1 1 23 ILE C 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS C -100.09999 -58.300003 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 32 . 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS C 1 1 25 ALA N 109.899994 149.9 . 24 . N . 24 . CA . 24 . C . 25 . N 1 1 33 . 1 1 24 CYS C 1 1 25 ALA N 1 1 25 ALA CA 1 1 25 ALA C -154.4 -93.799995 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1 34 . 1 1 25 ALA N 1 1 25 ALA CA 1 1 25 ALA C 1 1 26 LYS N 103.2 167.39998 . 25 . N . 25 . CA . 25 . C . 26 . N 1 1 35 . 1 1 25 ALA C 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS C -101.8 -58.4 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 36 . 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS C 1 1 27 THR N 110.9 151.5 . 26 . N . 26 . CA . 26 . C . 27 . N 1 1 37 . 1 1 26 LYS C 1 1 27 THR N 1 1 27 THR CA 1 1 27 THR C -166.4 -68.6 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 38 . 1 1 27 THR N 1 1 27 THR CA 1 1 27 THR C 1 1 28 ILE N 116.49999 190.3 . 27 . N . 27 . CA . 27 . C . 28 . N 1 1 39 . 1 1 28 ILE C 1 1 29 ALA N 1 1 29 ALA CA 1 1 29 ALA C -165.1 -53.3 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 40 . 1 1 29 ALA N 1 1 29 ALA CA 1 1 29 ALA C 1 1 30 PRO N 82.1 180.3 . 29 . N . 29 . CA . 29 . C . 30 . N 1 1 41 . 1 1 31 CYS C 1 1 32 LYS N 1 1 32 LYS CA 1 1 32 LYS C -148.3 -36.5 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1 42 . 1 1 1 CYS N 1 1 1 CYS CA 1 1 1 CYS CB 1 1 1 CYS SG 30.0 89.99999 . 1 . N . 1 . CA . 1 . CB . 1 . SG 1 1 43 . 1 1 6 GLU N 1 1 6 GLU CA 1 1 6 GLU CB 1 1 6 GLU CG -89.99999 -30.0 . 6 . N . 6 . CA . 6 . CB . 6 . CG 1 1 44 . 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS CB 1 1 8 CYS SG 30.0 89.99999 . 8 . N . 8 . CA . 8 . CB . 8 . SG 1 1 45 . 1 1 11 ASP N 1 1 11 ASP CA 1 1 11 ASP CB 1 1 11 ASP CG -89.99999 -30.0 . 11 . N . 11 . CA . 11 . CB . 11 . CG 1 1 46 . 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS CB 1 1 14 CYS SG -89.99999 -30.0 . 14 . N . 14 . CA . 14 . CB . 14 . SG 1 1 47 . 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS CB 1 1 15 CYS SG -89.99999 -30.0 . 15 . N . 15 . CA . 15 . CB . 15 . SG 1 1 48 . 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER CB 1 1 17 SER OG 30.0 89.99999 . 17 . N . 17 . CA . 17 . CB . 17 . OG 1 1 49 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU CB 1 1 18 LEU CG -89.99999 -30.0 . 18 . N . 18 . CA . 18 . CB . 18 . CG 1 1 50 . 1 1 19 CYS N 1 1 19 CYS CA 1 1 19 CYS CB 1 1 19 CYS SG -89.99999 -30.0 . 19 . N . 19 . CA . 19 . CB . 19 . SG 1 1 51 . 1 1 20 CYS N 1 1 20 CYS CA 1 1 20 CYS CB 1 1 20 CYS SG 150.0 210.0 . 20 . N . 20 . CA . 20 . CB . 20 . SG 1 1 52 . 1 1 24 CYS N 1 1 24 CYS CA 1 1 24 CYS CB 1 1 24 CYS SG -89.99999 -30.0 . 24 . N . 24 . CA . 24 . CB . 24 . SG 1 1 53 . 1 1 26 LYS N 1 1 26 LYS CA 1 1 26 LYS CB 1 1 26 LYS CG 150.0 210.0 . 26 . N . 26 . CA . 26 . CB . 26 . CG 1 1 54 . 1 1 31 CYS N 1 1 31 CYS CA 1 1 31 CYS CB 1 1 31 CYS SG 30.0 89.99999 . 31 . N . 31 . CA . 31 . CB . 31 . SG 1 1 55 . 1 1 32 LYS N 1 1 32 LYS CA 1 1 32 LYS CB 1 1 32 LYS CG -89.99999 -30.0 . 32 . N . 32 . CA . 32 . CB . 32 . CG 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.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.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _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.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 CYS C C -6.165 3.480 5.428 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C -5.445 4.784 5.789 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C -3.982 4.507 6.167 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS H1 H -7.106 5.630 6.631 1.00 . A A . 1 CYS H1 1 1 1 5 1 1 1 CYS H2 H -5.654 6.367 7.087 1.00 . A A . 1 CYS H2 1 1 1 6 1 1 1 CYS H3 H -6.085 4.858 7.747 1.00 . A A . 1 CYS H3 1 1 1 7 1 1 1 CYS HA H -5.470 5.440 4.931 1.00 . A A . 1 CYS HA 1 1 1 8 1 1 1 CYS HB2 H -3.532 3.900 5.395 1.00 . A A . 1 CYS HB2 1 1 1 9 1 1 1 CYS HB3 H -3.441 5.438 6.236 1.00 . A A . 1 CYS HB3 1 1 1 10 1 1 1 CYS N N -6.117 5.455 6.897 1.00 . A A . 1 CYS N 1 1 1 11 1 1 1 CYS O O -6.998 2.975 6.207 1.00 . A A . 1 CYS O 1 1 1 12 1 1 1 CYS SG S -3.761 3.619 7.746 1.00 . A A . 1 CYS SG 1 1 1 13 1 1 2 ALA C C -5.522 0.574 4.226 1.00 . A A . 2 ALA C 1 1 1 14 1 1 2 ALA CA C -6.437 1.704 3.810 1.00 . A A . 2 ALA CA 1 1 1 15 1 1 2 ALA CB C -6.635 1.713 2.310 1.00 . A A . 2 ALA CB 1 1 1 16 1 1 2 ALA H H -5.267 3.431 3.645 1.00 . A A . 2 ALA H 1 1 1 17 1 1 2 ALA HA H -7.393 1.567 4.291 1.00 . A A . 2 ALA HA 1 1 1 18 1 1 2 ALA HB1 H -7.066 0.775 1.995 1.00 . A A . 2 ALA HB1 1 1 1 19 1 1 2 ALA HB2 H -5.685 1.861 1.818 1.00 . A A . 2 ALA HB2 1 1 1 20 1 1 2 ALA HB3 H -7.307 2.518 2.053 1.00 . A A . 2 ALA HB3 1 1 1 21 1 1 2 ALA N N -5.882 2.958 4.253 1.00 . A A . 2 ALA N 1 1 1 22 1 1 2 ALA O O -4.288 0.727 4.228 1.00 . A A . 2 ALA O 1 1 1 23 1 1 3 VAL C C -4.956 -2.584 3.903 1.00 . A A . 3 VAL C 1 1 1 24 1 1 3 VAL CA C -5.329 -1.668 5.061 1.00 . A A . 3 VAL CA 1 1 1 25 1 1 3 VAL CB C -6.080 -2.477 6.155 1.00 . A A . 3 VAL CB 1 1 1 26 1 1 3 VAL CG1 C -6.376 -1.606 7.367 1.00 . A A . 3 VAL CG1 1 1 1 27 1 1 3 VAL CG2 C -7.359 -3.089 5.601 1.00 . A A . 3 VAL CG2 1 1 1 28 1 1 3 VAL H H -7.083 -0.612 4.515 1.00 . A A . 3 VAL H 1 1 1 29 1 1 3 VAL HA H -4.417 -1.277 5.489 1.00 . A A . 3 VAL HA 1 1 1 30 1 1 3 VAL HB H -5.430 -3.278 6.479 1.00 . A A . 3 VAL HB 1 1 1 31 1 1 3 VAL HG11 H -6.992 -0.771 7.067 1.00 . A A . 3 VAL HG11 1 1 1 32 1 1 3 VAL HG12 H -5.449 -1.238 7.783 1.00 . A A . 3 VAL HG12 1 1 1 33 1 1 3 VAL HG13 H -6.898 -2.190 8.111 1.00 . A A . 3 VAL HG13 1 1 1 34 1 1 3 VAL HG21 H -7.981 -2.299 5.204 1.00 . A A . 3 VAL HG21 1 1 1 35 1 1 3 VAL HG22 H -7.888 -3.616 6.380 1.00 . A A . 3 VAL HG22 1 1 1 36 1 1 3 VAL HG23 H -7.106 -3.769 4.801 1.00 . A A . 3 VAL HG23 1 1 1 37 1 1 3 VAL N N -6.101 -0.534 4.593 1.00 . A A . 3 VAL N 1 1 1 38 1 1 3 VAL O O -5.259 -2.288 2.737 1.00 . A A . 3 VAL O 1 1 1 39 1 1 4 THR C C -5.063 -5.158 2.431 1.00 . A A . 4 THR C 1 1 1 40 1 1 4 THR CA C -3.873 -4.651 3.260 1.00 . A A . 4 THR CA 1 1 1 41 1 1 4 THR CB C -3.205 -5.837 3.982 1.00 . A A . 4 THR CB 1 1 1 42 1 1 4 THR CG2 C -2.444 -6.704 2.990 1.00 . A A . 4 THR CG2 1 1 1 43 1 1 4 THR H H -4.071 -3.842 5.162 1.00 . A A . 4 THR H 1 1 1 44 1 1 4 THR HA H -3.144 -4.196 2.606 1.00 . A A . 4 THR HA 1 1 1 45 1 1 4 THR HB H -3.963 -6.431 4.472 1.00 . A A . 4 THR HB 1 1 1 46 1 1 4 THR HG1 H -1.603 -6.008 5.102 1.00 . A A . 4 THR HG1 1 1 1 47 1 1 4 THR HG21 H -1.977 -7.529 3.507 1.00 . A A . 4 THR HG21 1 1 1 48 1 1 4 THR HG22 H -1.688 -6.105 2.504 1.00 . A A . 4 THR HG22 1 1 1 49 1 1 4 THR HG23 H -3.130 -7.082 2.247 1.00 . A A . 4 THR HG23 1 1 1 50 1 1 4 THR N N -4.300 -3.676 4.224 1.00 . A A . 4 THR N 1 1 1 51 1 1 4 THR O O -6.124 -5.488 2.980 1.00 . A A . 4 THR O 1 1 1 52 1 1 4 THR OG1 O -2.275 -5.329 4.960 1.00 . A A . 4 THR OG1 1 1 1 53 1 1 5 HIS C C -7.004 -4.654 -0.152 1.00 . A A . 5 HIS C 1 1 1 54 1 1 5 HIS CA C -5.864 -5.627 0.133 1.00 . A A . 5 HIS CA 1 1 1 55 1 1 5 HIS CB C -6.380 -7.057 0.427 1.00 . A A . 5 HIS CB 1 1 1 56 1 1 5 HIS CD2 C -4.592 -8.542 -0.720 1.00 . A A . 5 HIS CD2 1 1 1 57 1 1 5 HIS CE1 C -3.966 -9.728 0.979 1.00 . A A . 5 HIS CE1 1 1 1 58 1 1 5 HIS CG C -5.318 -8.119 0.342 1.00 . A A . 5 HIS CG 1 1 1 59 1 1 5 HIS H H -4.047 -4.749 0.778 1.00 . A A . 5 HIS H 1 1 1 60 1 1 5 HIS HA H -5.300 -5.666 -0.787 1.00 . A A . 5 HIS HA 1 1 1 61 1 1 5 HIS HB2 H -6.790 -7.082 1.425 1.00 . A A . 5 HIS HB2 1 1 1 62 1 1 5 HIS HB3 H -7.159 -7.301 -0.280 1.00 . A A . 5 HIS HB3 1 1 1 63 1 1 5 HIS HD1 H -5.253 -8.839 2.325 1.00 . A A . 5 HIS HD1 1 1 1 64 1 1 5 HIS HD2 H -4.663 -8.166 -1.730 1.00 . A A . 5 HIS HD2 1 1 1 65 1 1 5 HIS HE1 H -3.463 -10.452 1.602 1.00 . A A . 5 HIS HE1 1 1 1 66 1 1 5 HIS N N -4.888 -5.136 1.117 1.00 . A A . 5 HIS N 1 1 1 67 1 1 5 HIS ND1 N -4.906 -8.885 1.407 1.00 . A A . 5 HIS ND1 1 1 1 68 1 1 5 HIS NE2 N -3.733 -9.560 -0.316 1.00 . A A . 5 HIS NE2 1 1 1 69 1 1 5 HIS O O -7.837 -4.916 -1.022 1.00 . A A . 5 HIS O 1 1 1 70 1 1 6 GLU C C -7.492 -1.706 -0.924 1.00 . A A . 6 GLU C 1 1 1 71 1 1 6 GLU CA C -8.024 -2.519 0.221 1.00 . A A . 6 GLU CA 1 1 1 72 1 1 6 GLU CB C -8.320 -1.586 1.386 1.00 . A A . 6 GLU CB 1 1 1 73 1 1 6 GLU CD C -9.644 -1.079 3.391 1.00 . A A . 6 GLU CD 1 1 1 74 1 1 6 GLU CG C -9.122 -2.170 2.504 1.00 . A A . 6 GLU CG 1 1 1 75 1 1 6 GLU H H -6.414 -3.380 1.280 1.00 . A A . 6 GLU H 1 1 1 76 1 1 6 GLU HA H -8.932 -3.013 -0.091 1.00 . A A . 6 GLU HA 1 1 1 77 1 1 6 GLU HB2 H -7.380 -1.310 1.843 1.00 . A A . 6 GLU HB2 1 1 1 78 1 1 6 GLU HB3 H -8.824 -0.703 1.024 1.00 . A A . 6 GLU HB3 1 1 1 79 1 1 6 GLU HG2 H -9.953 -2.723 2.093 1.00 . A A . 6 GLU HG2 1 1 1 80 1 1 6 GLU HG3 H -8.496 -2.827 3.090 1.00 . A A . 6 GLU HG3 1 1 1 81 1 1 6 GLU N N -7.050 -3.540 0.549 1.00 . A A . 6 GLU N 1 1 1 82 1 1 6 GLU O O -6.282 -1.661 -1.126 1.00 . A A . 6 GLU O 1 1 1 83 1 1 6 GLU OE1 O -8.909 -0.583 4.271 1.00 . A A . 6 GLU OE1 1 1 1 84 1 1 6 GLU OE2 O -10.812 -0.675 3.207 1.00 . A A . 6 GLU OE2 1 1 1 85 1 1 7 LYS C C -7.234 0.980 -2.247 1.00 . A A . 7 LYS C 1 1 1 86 1 1 7 LYS CA C -7.926 -0.245 -2.772 1.00 . A A . 7 LYS CA 1 1 1 87 1 1 7 LYS CB C -9.060 0.141 -3.728 1.00 . A A . 7 LYS CB 1 1 1 88 1 1 7 LYS CD C -9.967 -2.189 -4.198 1.00 . A A . 7 LYS CD 1 1 1 89 1 1 7 LYS CE C -10.189 -3.227 -5.289 1.00 . A A . 7 LYS CE 1 1 1 90 1 1 7 LYS CG C -9.401 -0.909 -4.780 1.00 . A A . 7 LYS CG 1 1 1 91 1 1 7 LYS H H -9.323 -1.166 -1.490 1.00 . A A . 7 LYS H 1 1 1 92 1 1 7 LYS HA H -7.196 -0.820 -3.320 1.00 . A A . 7 LYS HA 1 1 1 93 1 1 7 LYS HB2 H -9.950 0.333 -3.148 1.00 . A A . 7 LYS HB2 1 1 1 94 1 1 7 LYS HB3 H -8.776 1.050 -4.238 1.00 . A A . 7 LYS HB3 1 1 1 95 1 1 7 LYS HD2 H -9.276 -2.581 -3.466 1.00 . A A . 7 LYS HD2 1 1 1 96 1 1 7 LYS HD3 H -10.910 -1.969 -3.722 1.00 . A A . 7 LYS HD3 1 1 1 97 1 1 7 LYS HE2 H -9.238 -3.465 -5.739 1.00 . A A . 7 LYS HE2 1 1 1 98 1 1 7 LYS HE3 H -10.601 -4.114 -4.832 1.00 . A A . 7 LYS HE3 1 1 1 99 1 1 7 LYS HG2 H -10.135 -0.494 -5.454 1.00 . A A . 7 LYS HG2 1 1 1 100 1 1 7 LYS HG3 H -8.503 -1.140 -5.336 1.00 . A A . 7 LYS HG3 1 1 1 101 1 1 7 LYS HZ1 H -11.217 -3.455 -7.102 1.00 . A A . 7 LYS HZ1 1 1 1 102 1 1 7 LYS HZ2 H -10.754 -1.882 -6.790 1.00 . A A . 7 LYS HZ2 1 1 1 103 1 1 7 LYS HZ3 H -12.058 -2.536 -5.966 1.00 . A A . 7 LYS HZ3 1 1 1 104 1 1 7 LYS N N -8.365 -1.084 -1.682 1.00 . A A . 7 LYS N 1 1 1 105 1 1 7 LYS NZ N -11.114 -2.750 -6.344 1.00 . A A . 7 LYS NZ 1 1 1 106 1 1 7 LYS O O -7.587 1.502 -1.177 1.00 . A A . 7 LYS O 1 1 1 107 1 1 8 CYS C C -5.679 3.708 -3.498 1.00 . A A . 8 CYS C 1 1 1 108 1 1 8 CYS CA C -5.506 2.557 -2.553 1.00 . A A . 8 CYS CA 1 1 1 109 1 1 8 CYS CB C -4.042 2.155 -2.486 1.00 . A A . 8 CYS CB 1 1 1 110 1 1 8 CYS H H -6.063 1.020 -3.834 1.00 . A A . 8 CYS H 1 1 1 111 1 1 8 CYS HA H -5.821 2.847 -1.562 1.00 . A A . 8 CYS HA 1 1 1 112 1 1 8 CYS HB2 H -3.443 3.034 -2.297 1.00 . A A . 8 CYS HB2 1 1 1 113 1 1 8 CYS HB3 H -3.904 1.451 -1.678 1.00 . A A . 8 CYS HB3 1 1 1 114 1 1 8 CYS N N -6.282 1.439 -2.974 1.00 . A A . 8 CYS N 1 1 1 115 1 1 8 CYS O O -5.797 3.518 -4.725 1.00 . A A . 8 CYS O 1 1 1 116 1 1 8 CYS SG S -3.417 1.374 -4.018 1.00 . A A . 8 CYS SG 1 1 1 117 1 1 9 SER C C -4.387 6.451 -4.125 1.00 . A A . 9 SER C 1 1 1 118 1 1 9 SER CA C -5.813 6.069 -3.715 1.00 . A A . 9 SER CA 1 1 1 119 1 1 9 SER CB C -6.483 7.164 -2.896 1.00 . A A . 9 SER CB 1 1 1 120 1 1 9 SER H H -5.794 4.956 -1.958 1.00 . A A . 9 SER H 1 1 1 121 1 1 9 SER HA H -6.398 5.870 -4.600 1.00 . A A . 9 SER HA 1 1 1 122 1 1 9 SER HB2 H -5.884 7.370 -2.022 1.00 . A A . 9 SER HB2 1 1 1 123 1 1 9 SER HB3 H -6.579 8.057 -3.494 1.00 . A A . 9 SER HB3 1 1 1 124 1 1 9 SER HG H -8.372 7.501 -2.595 1.00 . A A . 9 SER HG 1 1 1 125 1 1 9 SER N N -5.754 4.880 -2.943 1.00 . A A . 9 SER N 1 1 1 126 1 1 9 SER O O -4.141 6.853 -5.275 1.00 . A A . 9 SER O 1 1 1 127 1 1 9 SER OG O -7.786 6.744 -2.476 1.00 . A A . 9 SER OG 1 1 1 128 1 1 10 ASP C C -1.249 5.712 -2.389 1.00 . A A . 10 ASP C 1 1 1 129 1 1 10 ASP CA C -2.042 6.512 -3.421 1.00 . A A . 10 ASP CA 1 1 1 130 1 1 10 ASP CB C -1.685 8.005 -3.333 1.00 . A A . 10 ASP CB 1 1 1 131 1 1 10 ASP CG C -1.618 8.559 -1.927 1.00 . A A . 10 ASP CG 1 1 1 132 1 1 10 ASP H H -3.687 5.936 -2.303 1.00 . A A . 10 ASP H 1 1 1 133 1 1 10 ASP HA H -1.806 6.132 -4.405 1.00 . A A . 10 ASP HA 1 1 1 134 1 1 10 ASP HB2 H -0.717 8.136 -3.785 1.00 . A A . 10 ASP HB2 1 1 1 135 1 1 10 ASP HB3 H -2.414 8.571 -3.896 1.00 . A A . 10 ASP HB3 1 1 1 136 1 1 10 ASP N N -3.451 6.267 -3.195 1.00 . A A . 10 ASP N 1 1 1 137 1 1 10 ASP O O -1.847 5.062 -1.535 1.00 . A A . 10 ASP O 1 1 1 138 1 1 10 ASP OD1 O -0.512 8.566 -1.339 1.00 . A A . 10 ASP OD1 1 1 1 139 1 1 10 ASP OD2 O -2.641 9.054 -1.412 1.00 . A A . 10 ASP OD2 1 1 1 140 1 1 11 ASP C C 0.840 5.333 -0.116 1.00 . A A . 11 ASP C 1 1 1 141 1 1 11 ASP CA C 0.955 4.959 -1.577 1.00 . A A . 11 ASP CA 1 1 1 142 1 1 11 ASP CB C 2.421 5.060 -2.001 1.00 . A A . 11 ASP CB 1 1 1 143 1 1 11 ASP CG C 2.678 4.515 -3.374 1.00 . A A . 11 ASP CG 1 1 1 144 1 1 11 ASP H H 0.475 6.362 -3.127 1.00 . A A . 11 ASP H 1 1 1 145 1 1 11 ASP HA H 0.650 3.929 -1.679 1.00 . A A . 11 ASP HA 1 1 1 146 1 1 11 ASP HB2 H 2.719 6.098 -1.991 1.00 . A A . 11 ASP HB2 1 1 1 147 1 1 11 ASP HB3 H 3.029 4.514 -1.294 1.00 . A A . 11 ASP HB3 1 1 1 148 1 1 11 ASP N N 0.072 5.766 -2.457 1.00 . A A . 11 ASP N 1 1 1 149 1 1 11 ASP O O 0.827 4.469 0.760 1.00 . A A . 11 ASP O 1 1 1 150 1 1 11 ASP OD1 O 2.764 3.291 -3.533 1.00 . A A . 11 ASP OD1 1 1 1 151 1 1 11 ASP OD2 O 2.807 5.315 -4.323 1.00 . A A . 11 ASP OD2 1 1 1 152 1 1 12 TYR C C -0.741 6.988 2.101 1.00 . A A . 12 TYR C 1 1 1 153 1 1 12 TYR CA C 0.655 7.089 1.519 1.00 . A A . 12 TYR CA 1 1 1 154 1 1 12 TYR CB C 1.222 8.501 1.610 1.00 . A A . 12 TYR CB 1 1 1 155 1 1 12 TYR CD1 C 3.281 8.687 0.146 1.00 . A A . 12 TYR CD1 1 1 1 156 1 1 12 TYR CD2 C 3.582 8.438 2.489 1.00 . A A . 12 TYR CD2 1 1 1 157 1 1 12 TYR CE1 C 4.652 8.713 -0.032 1.00 . A A . 12 TYR CE1 1 1 1 158 1 1 12 TYR CE2 C 4.948 8.466 2.322 1.00 . A A . 12 TYR CE2 1 1 1 159 1 1 12 TYR CG C 2.724 8.549 1.409 1.00 . A A . 12 TYR CG 1 1 1 160 1 1 12 TYR CZ C 5.479 8.602 1.063 1.00 . A A . 12 TYR CZ 1 1 1 161 1 1 12 TYR H H 0.562 7.252 -0.577 1.00 . A A . 12 TYR H 1 1 1 162 1 1 12 TYR HA H 1.286 6.428 2.094 1.00 . A A . 12 TYR HA 1 1 1 163 1 1 12 TYR HB2 H 0.762 9.114 0.849 1.00 . A A . 12 TYR HB2 1 1 1 164 1 1 12 TYR HB3 H 0.997 8.912 2.581 1.00 . A A . 12 TYR HB3 1 1 1 165 1 1 12 TYR HD1 H 2.625 8.775 -0.705 1.00 . A A . 12 TYR HD1 1 1 1 166 1 1 12 TYR HD2 H 3.167 8.329 3.480 1.00 . A A . 12 TYR HD2 1 1 1 167 1 1 12 TYR HE1 H 5.067 8.822 -1.023 1.00 . A A . 12 TYR HE1 1 1 1 168 1 1 12 TYR HE2 H 5.596 8.377 3.179 1.00 . A A . 12 TYR HE2 1 1 1 169 1 1 12 TYR HH H 7.040 9.356 0.294 1.00 . A A . 12 TYR HH 1 1 1 170 1 1 12 TYR N N 0.695 6.602 0.153 1.00 . A A . 12 TYR N 1 1 1 171 1 1 12 TYR O O -0.980 7.307 3.268 1.00 . A A . 12 TYR O 1 1 1 172 1 1 12 TYR OH O 6.845 8.629 0.899 1.00 . A A . 12 TYR OH 1 1 1 173 1 1 13 ASP C C -3.107 4.872 2.326 1.00 . A A . 13 ASP C 1 1 1 174 1 1 13 ASP CA C -3.010 6.247 1.664 1.00 . A A . 13 ASP CA 1 1 1 175 1 1 13 ASP CB C -3.890 6.342 0.409 1.00 . A A . 13 ASP CB 1 1 1 176 1 1 13 ASP CG C -5.317 5.902 0.587 1.00 . A A . 13 ASP CG 1 1 1 177 1 1 13 ASP H H -1.364 6.307 0.362 1.00 . A A . 13 ASP H 1 1 1 178 1 1 13 ASP HA H -3.315 7.004 2.371 1.00 . A A . 13 ASP HA 1 1 1 179 1 1 13 ASP HB2 H -3.903 7.366 0.069 1.00 . A A . 13 ASP HB2 1 1 1 180 1 1 13 ASP HB3 H -3.439 5.735 -0.362 1.00 . A A . 13 ASP HB3 1 1 1 181 1 1 13 ASP N N -1.638 6.503 1.285 1.00 . A A . 13 ASP N 1 1 1 182 1 1 13 ASP O O -4.067 4.558 3.018 1.00 . A A . 13 ASP O 1 1 1 183 1 1 13 ASP OD1 O -6.029 6.438 1.473 1.00 . A A . 13 ASP OD1 1 1 1 184 1 1 13 ASP OD2 O -5.772 5.063 -0.209 1.00 . A A . 13 ASP OD2 1 1 1 185 1 1 14 CYS C C -1.374 2.743 4.095 1.00 . A A . 14 CYS C 1 1 1 186 1 1 14 CYS CA C -2.021 2.751 2.714 1.00 . A A . 14 CYS CA 1 1 1 187 1 1 14 CYS CB C -1.268 1.836 1.768 1.00 . A A . 14 CYS CB 1 1 1 188 1 1 14 CYS H H -1.308 4.409 1.637 1.00 . A A . 14 CYS H 1 1 1 189 1 1 14 CYS HA H -3.035 2.390 2.803 1.00 . A A . 14 CYS HA 1 1 1 190 1 1 14 CYS HB2 H -0.264 2.208 1.631 1.00 . A A . 14 CYS HB2 1 1 1 191 1 1 14 CYS HB3 H -1.233 0.844 2.191 1.00 . A A . 14 CYS HB3 1 1 1 192 1 1 14 CYS N N -2.074 4.086 2.158 1.00 . A A . 14 CYS N 1 1 1 193 1 1 14 CYS O O -0.439 3.511 4.362 1.00 . A A . 14 CYS O 1 1 1 194 1 1 14 CYS SG S -2.050 1.715 0.139 1.00 . A A . 14 CYS SG 1 1 1 195 1 1 15 CYS C C -0.035 1.020 6.329 1.00 . A A . 15 CYS C 1 1 1 196 1 1 15 CYS CA C -1.375 1.751 6.332 1.00 . A A . 15 CYS CA 1 1 1 197 1 1 15 CYS CB C -2.371 0.962 7.192 1.00 . A A . 15 CYS CB 1 1 1 198 1 1 15 CYS H H -2.657 1.344 4.701 1.00 . A A . 15 CYS H 1 1 1 199 1 1 15 CYS HA H -1.250 2.736 6.757 1.00 . A A . 15 CYS HA 1 1 1 200 1 1 15 CYS HB2 H -2.465 -0.036 6.791 1.00 . A A . 15 CYS HB2 1 1 1 201 1 1 15 CYS HB3 H -1.986 0.902 8.199 1.00 . A A . 15 CYS HB3 1 1 1 202 1 1 15 CYS N N -1.887 1.897 4.970 1.00 . A A . 15 CYS N 1 1 1 203 1 1 15 CYS O O 0.354 0.422 5.314 1.00 . A A . 15 CYS O 1 1 1 204 1 1 15 CYS SG S -4.050 1.671 7.279 1.00 . A A . 15 CYS SG 1 1 1 205 1 1 16 GLY C C 2.958 0.846 6.612 1.00 . A A . 16 GLY C 1 1 1 206 1 1 16 GLY CA C 1.928 0.402 7.613 1.00 . A A . 16 GLY CA 1 1 1 207 1 1 16 GLY H H 0.337 1.641 8.190 1.00 . A A . 16 GLY H 1 1 1 208 1 1 16 GLY HA2 H 2.303 0.584 8.609 1.00 . A A . 16 GLY HA2 1 1 1 209 1 1 16 GLY HA3 H 1.759 -0.657 7.494 1.00 . A A . 16 GLY HA3 1 1 1 210 1 1 16 GLY N N 0.669 1.089 7.449 1.00 . A A . 16 GLY N 1 1 1 211 1 1 16 GLY O O 3.050 2.043 6.282 1.00 . A A . 16 GLY O 1 1 1 212 1 1 17 SER C C 4.244 -0.336 3.762 1.00 . A A . 17 SER C 1 1 1 213 1 1 17 SER CA C 4.709 0.173 5.121 1.00 . A A . 17 SER CA 1 1 1 214 1 1 17 SER CB C 6.011 -0.506 5.547 1.00 . A A . 17 SER CB 1 1 1 215 1 1 17 SER H H 3.563 -1.032 6.369 1.00 . A A . 17 SER H 1 1 1 216 1 1 17 SER HA H 4.863 1.241 5.073 1.00 . A A . 17 SER HA 1 1 1 217 1 1 17 SER HB2 H 6.762 -0.347 4.787 1.00 . A A . 17 SER HB2 1 1 1 218 1 1 17 SER HB3 H 6.348 -0.077 6.480 1.00 . A A . 17 SER HB3 1 1 1 219 1 1 17 SER HG H 5.795 -2.078 6.676 1.00 . A A . 17 SER HG 1 1 1 220 1 1 17 SER N N 3.693 -0.097 6.098 1.00 . A A . 17 SER N 1 1 1 221 1 1 17 SER O O 5.052 -0.639 2.877 1.00 . A A . 17 SER O 1 1 1 222 1 1 17 SER OG O 5.831 -1.910 5.725 1.00 . A A . 17 SER OG 1 1 1 223 1 1 18 LEU C C 2.380 0.225 1.352 1.00 . A A . 18 LEU C 1 1 1 224 1 1 18 LEU CA C 2.331 -0.884 2.378 1.00 . A A . 18 LEU CA 1 1 1 225 1 1 18 LEU CB C 0.873 -1.283 2.597 1.00 . A A . 18 LEU CB 1 1 1 226 1 1 18 LEU CD1 C -0.899 -2.574 3.760 1.00 . A A . 18 LEU CD1 1 1 1 227 1 1 18 LEU CD2 C 1.297 -3.655 3.323 1.00 . A A . 18 LEU CD2 1 1 1 228 1 1 18 LEU CG C 0.589 -2.352 3.650 1.00 . A A . 18 LEU CG 1 1 1 229 1 1 18 LEU H H 2.345 -0.156 4.350 1.00 . A A . 18 LEU H 1 1 1 230 1 1 18 LEU HA H 2.882 -1.739 2.017 1.00 . A A . 18 LEU HA 1 1 1 231 1 1 18 LEU HB2 H 0.333 -0.393 2.884 1.00 . A A . 18 LEU HB2 1 1 1 232 1 1 18 LEU HB3 H 0.477 -1.627 1.653 1.00 . A A . 18 LEU HB3 1 1 1 233 1 1 18 LEU HD11 H -1.095 -3.345 4.491 1.00 . A A . 18 LEU HD11 1 1 1 234 1 1 18 LEU HD12 H -1.289 -2.880 2.801 1.00 . A A . 18 LEU HD12 1 1 1 235 1 1 18 LEU HD13 H -1.380 -1.658 4.069 1.00 . A A . 18 LEU HD13 1 1 1 236 1 1 18 LEU HD21 H 1.048 -4.397 4.067 1.00 . A A . 18 LEU HD21 1 1 1 237 1 1 18 LEU HD22 H 2.364 -3.487 3.334 1.00 . A A . 18 LEU HD22 1 1 1 238 1 1 18 LEU HD23 H 0.993 -4.002 2.346 1.00 . A A . 18 LEU HD23 1 1 1 239 1 1 18 LEU HG H 0.942 -1.998 4.608 1.00 . A A . 18 LEU HG 1 1 1 240 1 1 18 LEU N N 2.930 -0.426 3.610 1.00 . A A . 18 LEU N 1 1 1 241 1 1 18 LEU O O 2.431 1.413 1.709 1.00 . A A . 18 LEU O 1 1 1 242 1 1 19 CYS C C 1.149 0.575 -1.834 1.00 . A A . 19 CYS C 1 1 1 243 1 1 19 CYS CA C 2.378 0.772 -0.974 1.00 . A A . 19 CYS CA 1 1 1 244 1 1 19 CYS CB C 3.661 0.571 -1.779 1.00 . A A . 19 CYS CB 1 1 1 245 1 1 19 CYS H H 2.240 -1.099 -0.127 1.00 . A A . 19 CYS H 1 1 1 246 1 1 19 CYS HA H 2.367 1.772 -0.566 1.00 . A A . 19 CYS HA 1 1 1 247 1 1 19 CYS HB2 H 3.696 -0.444 -2.146 1.00 . A A . 19 CYS HB2 1 1 1 248 1 1 19 CYS HB3 H 3.666 1.254 -2.616 1.00 . A A . 19 CYS HB3 1 1 1 249 1 1 19 CYS N N 2.335 -0.152 0.113 1.00 . A A . 19 CYS N 1 1 1 250 1 1 19 CYS O O 0.346 -0.345 -1.588 1.00 . A A . 19 CYS O 1 1 1 251 1 1 19 CYS SG S 5.176 0.868 -0.808 1.00 . A A . 19 CYS SG 1 1 1 252 1 1 20 CYS C C 0.144 0.658 -4.954 1.00 . A A . 20 CYS C 1 1 1 253 1 1 20 CYS CA C -0.174 1.329 -3.643 1.00 . A A . 20 CYS CA 1 1 1 254 1 1 20 CYS CB C -0.717 2.727 -3.887 1.00 . A A . 20 CYS CB 1 1 1 255 1 1 20 CYS H H 1.669 2.080 -3.029 1.00 . A A . 20 CYS H 1 1 1 256 1 1 20 CYS HA H -0.935 0.755 -3.136 1.00 . A A . 20 CYS HA 1 1 1 257 1 1 20 CYS HB2 H -0.922 3.195 -2.935 1.00 . A A . 20 CYS HB2 1 1 1 258 1 1 20 CYS HB3 H 0.030 3.306 -4.410 1.00 . A A . 20 CYS HB3 1 1 1 259 1 1 20 CYS N N 0.983 1.398 -2.820 1.00 . A A . 20 CYS N 1 1 1 260 1 1 20 CYS O O 0.989 1.128 -5.729 1.00 . A A . 20 CYS O 1 1 1 261 1 1 20 CYS SG S -2.254 2.794 -4.857 1.00 . A A . 20 CYS SG 1 1 1 262 1 1 21 VAL C C -1.800 -1.685 -6.752 1.00 . A A . 21 VAL C 1 1 1 263 1 1 21 VAL CA C -0.409 -1.143 -6.430 1.00 . A A . 21 VAL CA 1 1 1 264 1 1 21 VAL CB C 0.728 -2.235 -6.437 1.00 . A A . 21 VAL CB 1 1 1 265 1 1 21 VAL CG1 C 0.578 -3.254 -5.305 1.00 . A A . 21 VAL CG1 1 1 1 266 1 1 21 VAL CG2 C 0.840 -2.922 -7.796 1.00 . A A . 21 VAL CG2 1 1 1 267 1 1 21 VAL H H -1.074 -0.823 -4.482 1.00 . A A . 21 VAL H 1 1 1 268 1 1 21 VAL HA H -0.192 -0.385 -7.171 1.00 . A A . 21 VAL HA 1 1 1 269 1 1 21 VAL HB H 1.655 -1.711 -6.252 1.00 . A A . 21 VAL HB 1 1 1 270 1 1 21 VAL HG11 H -0.364 -3.772 -5.410 1.00 . A A . 21 VAL HG11 1 1 1 271 1 1 21 VAL HG12 H 0.600 -2.740 -4.356 1.00 . A A . 21 VAL HG12 1 1 1 272 1 1 21 VAL HG13 H 1.390 -3.965 -5.348 1.00 . A A . 21 VAL HG13 1 1 1 273 1 1 21 VAL HG21 H 1.631 -3.657 -7.762 1.00 . A A . 21 VAL HG21 1 1 1 274 1 1 21 VAL HG22 H 1.063 -2.187 -8.555 1.00 . A A . 21 VAL HG22 1 1 1 275 1 1 21 VAL HG23 H -0.095 -3.409 -8.029 1.00 . A A . 21 VAL HG23 1 1 1 276 1 1 21 VAL N N -0.497 -0.444 -5.186 1.00 . A A . 21 VAL N 1 1 1 277 1 1 21 VAL O O -2.093 -2.879 -6.648 1.00 . A A . 21 VAL O 1 1 1 278 1 1 22 GLY C C -4.786 -1.190 -5.836 1.00 . A A . 22 GLY C 1 1 1 279 1 1 22 GLY CA C -4.107 -1.072 -7.186 1.00 . A A . 22 GLY CA 1 1 1 280 1 1 22 GLY H H -2.416 0.187 -7.013 1.00 . A A . 22 GLY H 1 1 1 281 1 1 22 GLY HA2 H -4.577 -0.294 -7.769 1.00 . A A . 22 GLY HA2 1 1 1 282 1 1 22 GLY HA3 H -4.187 -2.017 -7.702 1.00 . A A . 22 GLY HA3 1 1 1 283 1 1 22 GLY N N -2.703 -0.750 -6.988 1.00 . A A . 22 GLY N 1 1 1 284 1 1 22 GLY O O -5.782 -0.508 -5.535 1.00 . A A . 22 GLY O 1 1 1 285 1 1 23 ILE C C -3.399 -1.983 -2.788 1.00 . A A . 23 ILE C 1 1 1 286 1 1 23 ILE CA C -4.605 -2.236 -3.674 1.00 . A A . 23 ILE CA 1 1 1 287 1 1 23 ILE CB C -5.127 -3.685 -3.447 1.00 . A A . 23 ILE CB 1 1 1 288 1 1 23 ILE CD1 C -4.484 -6.167 -3.653 1.00 . A A . 23 ILE CD1 1 1 1 289 1 1 23 ILE CG1 C -4.066 -4.726 -3.868 1.00 . A A . 23 ILE CG1 1 1 1 290 1 1 23 ILE CG2 C -6.442 -3.905 -4.189 1.00 . A A . 23 ILE CG2 1 1 1 291 1 1 23 ILE H H -3.426 -2.511 -5.356 1.00 . A A . 23 ILE H 1 1 1 292 1 1 23 ILE HA H -5.381 -1.530 -3.424 1.00 . A A . 23 ILE HA 1 1 1 293 1 1 23 ILE HB H -5.326 -3.798 -2.391 1.00 . A A . 23 ILE HB 1 1 1 294 1 1 23 ILE HD11 H -5.375 -6.373 -4.228 1.00 . A A . 23 ILE HD11 1 1 1 295 1 1 23 ILE HD12 H -4.690 -6.323 -2.605 1.00 . A A . 23 ILE HD12 1 1 1 296 1 1 23 ILE HD13 H -3.690 -6.827 -3.966 1.00 . A A . 23 ILE HD13 1 1 1 297 1 1 23 ILE HG12 H -3.851 -4.602 -4.919 1.00 . A A . 23 ILE HG12 1 1 1 298 1 1 23 ILE HG13 H -3.162 -4.551 -3.303 1.00 . A A . 23 ILE HG13 1 1 1 299 1 1 23 ILE HG21 H -7.183 -3.210 -3.823 1.00 . A A . 23 ILE HG21 1 1 1 300 1 1 23 ILE HG22 H -6.783 -4.916 -4.024 1.00 . A A . 23 ILE HG22 1 1 1 301 1 1 23 ILE HG23 H -6.289 -3.744 -5.246 1.00 . A A . 23 ILE HG23 1 1 1 302 1 1 23 ILE N N -4.208 -2.020 -5.022 1.00 . A A . 23 ILE N 1 1 1 303 1 1 23 ILE O O -2.259 -1.910 -3.290 1.00 . A A . 23 ILE O 1 1 1 304 1 1 24 CYS C C -1.881 -2.924 -0.325 1.00 . A A . 24 CYS C 1 1 1 305 1 1 24 CYS CA C -2.580 -1.623 -0.572 1.00 . A A . 24 CYS CA 1 1 1 306 1 1 24 CYS CB C -3.108 -1.032 0.722 1.00 . A A . 24 CYS CB 1 1 1 307 1 1 24 CYS H H -4.571 -1.785 -1.214 1.00 . A A . 24 CYS H 1 1 1 308 1 1 24 CYS HA H -1.872 -0.932 -1.006 1.00 . A A . 24 CYS HA 1 1 1 309 1 1 24 CYS HB2 H -3.906 -1.655 1.098 1.00 . A A . 24 CYS HB2 1 1 1 310 1 1 24 CYS HB3 H -2.309 -1.005 1.449 1.00 . A A . 24 CYS HB3 1 1 1 311 1 1 24 CYS N N -3.636 -1.807 -1.524 1.00 . A A . 24 CYS N 1 1 1 312 1 1 24 CYS O O -2.451 -3.865 0.263 1.00 . A A . 24 CYS O 1 1 1 313 1 1 24 CYS SG S -3.738 0.655 0.525 1.00 . A A . 24 CYS SG 1 1 1 314 1 1 25 ALA C C 1.557 -3.736 -0.613 1.00 . A A . 25 ALA C 1 1 1 315 1 1 25 ALA CA C 0.126 -4.161 -0.699 1.00 . A A . 25 ALA CA 1 1 1 316 1 1 25 ALA CB C -0.082 -5.047 -1.913 1.00 . A A . 25 ALA CB 1 1 1 317 1 1 25 ALA H H -0.285 -2.204 -1.243 1.00 . A A . 25 ALA H 1 1 1 318 1 1 25 ALA HA H -0.160 -4.707 0.187 1.00 . A A . 25 ALA HA 1 1 1 319 1 1 25 ALA HB1 H -1.120 -5.342 -1.968 1.00 . A A . 25 ALA HB1 1 1 1 320 1 1 25 ALA HB2 H 0.540 -5.925 -1.823 1.00 . A A . 25 ALA HB2 1 1 1 321 1 1 25 ALA HB3 H 0.187 -4.504 -2.807 1.00 . A A . 25 ALA HB3 1 1 1 322 1 1 25 ALA N N -0.677 -2.995 -0.803 1.00 . A A . 25 ALA N 1 1 1 323 1 1 25 ALA O O 1.914 -2.663 -1.088 1.00 . A A . 25 ALA O 1 1 1 324 1 1 26 LYS C C 4.467 -4.647 -1.137 1.00 . A A . 26 LYS C 1 1 1 325 1 1 26 LYS CA C 3.739 -4.195 0.111 1.00 . A A . 26 LYS CA 1 1 1 326 1 1 26 LYS CB C 4.351 -4.806 1.351 1.00 . A A . 26 LYS CB 1 1 1 327 1 1 26 LYS CD C 6.296 -4.762 2.894 1.00 . A A . 26 LYS CD 1 1 1 328 1 1 26 LYS CE C 7.606 -4.077 3.163 1.00 . A A . 26 LYS CE 1 1 1 329 1 1 26 LYS CG C 5.706 -4.239 1.628 1.00 . A A . 26 LYS CG 1 1 1 330 1 1 26 LYS H H 2.019 -5.359 0.382 1.00 . A A . 26 LYS H 1 1 1 331 1 1 26 LYS HA H 3.832 -3.121 0.171 1.00 . A A . 26 LYS HA 1 1 1 332 1 1 26 LYS HB2 H 3.708 -4.614 2.197 1.00 . A A . 26 LYS HB2 1 1 1 333 1 1 26 LYS HB3 H 4.447 -5.871 1.211 1.00 . A A . 26 LYS HB3 1 1 1 334 1 1 26 LYS HD2 H 5.614 -4.569 3.709 1.00 . A A . 26 LYS HD2 1 1 1 335 1 1 26 LYS HD3 H 6.467 -5.824 2.794 1.00 . A A . 26 LYS HD3 1 1 1 336 1 1 26 LYS HE2 H 8.061 -4.500 4.045 1.00 . A A . 26 LYS HE2 1 1 1 337 1 1 26 LYS HE3 H 8.230 -4.248 2.299 1.00 . A A . 26 LYS HE3 1 1 1 338 1 1 26 LYS HG2 H 6.365 -4.482 0.808 1.00 . A A . 26 LYS HG2 1 1 1 339 1 1 26 LYS HG3 H 5.610 -3.166 1.703 1.00 . A A . 26 LYS HG3 1 1 1 340 1 1 26 LYS HZ1 H 8.372 -2.199 3.529 1.00 . A A . 26 LYS HZ1 1 1 1 341 1 1 26 LYS HZ2 H 6.834 -2.406 4.165 1.00 . A A . 26 LYS HZ2 1 1 1 342 1 1 26 LYS HZ3 H 7.039 -2.157 2.496 1.00 . A A . 26 LYS HZ3 1 1 1 343 1 1 26 LYS N N 2.364 -4.525 -0.001 1.00 . A A . 26 LYS N 1 1 1 344 1 1 26 LYS NZ N 7.437 -2.615 3.342 1.00 . A A . 26 LYS NZ 1 1 1 345 1 1 26 LYS O O 4.398 -5.826 -1.528 1.00 . A A . 26 LYS O 1 1 1 346 1 1 27 THR C C 7.269 -4.389 -2.655 1.00 . A A . 27 THR C 1 1 1 347 1 1 27 THR CA C 5.836 -3.939 -2.976 1.00 . A A . 27 THR CA 1 1 1 348 1 1 27 THR CB C 5.827 -2.630 -3.769 1.00 . A A . 27 THR CB 1 1 1 349 1 1 27 THR CG2 C 4.485 -2.431 -4.463 1.00 . A A . 27 THR CG2 1 1 1 350 1 1 27 THR H H 5.114 -2.792 -1.445 1.00 . A A . 27 THR H 1 1 1 351 1 1 27 THR HA H 5.330 -4.695 -3.556 1.00 . A A . 27 THR HA 1 1 1 352 1 1 27 THR HB H 6.617 -2.653 -4.503 1.00 . A A . 27 THR HB 1 1 1 353 1 1 27 THR HG1 H 6.936 -1.173 -2.963 1.00 . A A . 27 THR HG1 1 1 1 354 1 1 27 THR HG21 H 3.700 -2.403 -3.722 1.00 . A A . 27 THR HG21 1 1 1 355 1 1 27 THR HG22 H 4.305 -3.246 -5.147 1.00 . A A . 27 THR HG22 1 1 1 356 1 1 27 THR HG23 H 4.497 -1.499 -5.008 1.00 . A A . 27 THR HG23 1 1 1 357 1 1 27 THR N N 5.103 -3.717 -1.773 1.00 . A A . 27 THR N 1 1 1 358 1 1 27 THR O O 7.574 -4.709 -1.502 1.00 . A A . 27 THR O 1 1 1 359 1 1 27 THR OG1 O 6.050 -1.547 -2.851 1.00 . A A . 27 THR OG1 1 1 1 360 1 1 28 ILE C C 10.280 -3.583 -2.982 1.00 . A A . 28 ILE C 1 1 1 361 1 1 28 ILE CA C 9.512 -4.824 -3.429 1.00 . A A . 28 ILE CA 1 1 1 362 1 1 28 ILE CB C 10.173 -5.421 -4.714 1.00 . A A . 28 ILE CB 1 1 1 363 1 1 28 ILE CD1 C 9.206 -7.777 -4.274 1.00 . A A . 28 ILE CD1 1 1 1 364 1 1 28 ILE CG1 C 9.361 -6.620 -5.252 1.00 . A A . 28 ILE CG1 1 1 1 365 1 1 28 ILE CG2 C 11.623 -5.837 -4.448 1.00 . A A . 28 ILE CG2 1 1 1 366 1 1 28 ILE H H 7.829 -4.246 -4.566 1.00 . A A . 28 ILE H 1 1 1 367 1 1 28 ILE HA H 9.539 -5.556 -2.635 1.00 . A A . 28 ILE HA 1 1 1 368 1 1 28 ILE HB H 10.188 -4.647 -5.467 1.00 . A A . 28 ILE HB 1 1 1 369 1 1 28 ILE HD11 H 8.684 -7.438 -3.392 1.00 . A A . 28 ILE HD11 1 1 1 370 1 1 28 ILE HD12 H 10.182 -8.145 -3.995 1.00 . A A . 28 ILE HD12 1 1 1 371 1 1 28 ILE HD13 H 8.643 -8.571 -4.743 1.00 . A A . 28 ILE HD13 1 1 1 372 1 1 28 ILE HG12 H 8.370 -6.280 -5.513 1.00 . A A . 28 ILE HG12 1 1 1 373 1 1 28 ILE HG13 H 9.845 -6.997 -6.141 1.00 . A A . 28 ILE HG13 1 1 1 374 1 1 28 ILE HG21 H 11.643 -6.593 -3.677 1.00 . A A . 28 ILE HG21 1 1 1 375 1 1 28 ILE HG22 H 12.190 -4.978 -4.121 1.00 . A A . 28 ILE HG22 1 1 1 376 1 1 28 ILE HG23 H 12.058 -6.233 -5.354 1.00 . A A . 28 ILE HG23 1 1 1 377 1 1 28 ILE N N 8.125 -4.453 -3.655 1.00 . A A . 28 ILE N 1 1 1 378 1 1 28 ILE O O 11.091 -3.626 -2.045 1.00 . A A . 28 ILE O 1 1 1 379 1 1 29 ALA C C 9.773 -0.495 -2.286 1.00 . A A . 29 ALA C 1 1 1 380 1 1 29 ALA CA C 10.607 -1.218 -3.322 1.00 . A A . 29 ALA CA 1 1 1 381 1 1 29 ALA CB C 10.726 -0.357 -4.569 1.00 . A A . 29 ALA CB 1 1 1 382 1 1 29 ALA H H 9.345 -2.519 -4.367 1.00 . A A . 29 ALA H 1 1 1 383 1 1 29 ALA HA H 11.597 -1.405 -2.935 1.00 . A A . 29 ALA HA 1 1 1 384 1 1 29 ALA HB1 H 11.307 -0.866 -5.322 1.00 . A A . 29 ALA HB1 1 1 1 385 1 1 29 ALA HB2 H 11.211 0.575 -4.316 1.00 . A A . 29 ALA HB2 1 1 1 386 1 1 29 ALA HB3 H 9.739 -0.150 -4.955 1.00 . A A . 29 ALA HB3 1 1 1 387 1 1 29 ALA N N 9.996 -2.482 -3.637 1.00 . A A . 29 ALA N 1 1 1 388 1 1 29 ALA O O 8.532 -0.494 -2.374 1.00 . A A . 29 ALA O 1 1 1 389 1 1 30 PRO C C 9.349 2.257 -0.767 1.00 . A A . 30 PRO C 1 1 1 390 1 1 30 PRO CA C 9.730 0.858 -0.265 1.00 . A A . 30 PRO CA 1 1 1 391 1 1 30 PRO CB C 10.742 0.942 0.871 1.00 . A A . 30 PRO CB 1 1 1 392 1 1 30 PRO CD C 11.879 0.046 -1.049 1.00 . A A . 30 PRO CD 1 1 1 393 1 1 30 PRO CG C 12.079 0.832 0.218 1.00 . A A . 30 PRO CG 1 1 1 394 1 1 30 PRO HA H 8.837 0.353 0.071 1.00 . A A . 30 PRO HA 1 1 1 395 1 1 30 PRO HB2 H 10.621 1.893 1.369 1.00 . A A . 30 PRO HB2 1 1 1 396 1 1 30 PRO HB3 H 10.573 0.137 1.570 1.00 . A A . 30 PRO HB3 1 1 1 397 1 1 30 PRO HD2 H 12.413 0.506 -1.868 1.00 . A A . 30 PRO HD2 1 1 1 398 1 1 30 PRO HD3 H 12.208 -0.973 -0.909 1.00 . A A . 30 PRO HD3 1 1 1 399 1 1 30 PRO HG2 H 12.456 1.818 -0.010 1.00 . A A . 30 PRO HG2 1 1 1 400 1 1 30 PRO HG3 H 12.763 0.315 0.875 1.00 . A A . 30 PRO HG3 1 1 1 401 1 1 30 PRO N N 10.416 0.096 -1.282 1.00 . A A . 30 PRO N 1 1 1 402 1 1 30 PRO O O 10.209 3.126 -0.967 1.00 . A A . 30 PRO O 1 1 1 403 1 1 31 CYS C C 7.716 4.827 -0.426 1.00 . A A . 31 CYS C 1 1 1 404 1 1 31 CYS CA C 7.554 3.730 -1.473 1.00 . A A . 31 CYS CA 1 1 1 405 1 1 31 CYS CB C 6.085 3.561 -1.831 1.00 . A A . 31 CYS CB 1 1 1 406 1 1 31 CYS H H 7.426 1.742 -0.811 1.00 . A A . 31 CYS H 1 1 1 407 1 1 31 CYS HA H 8.101 4.000 -2.363 1.00 . A A . 31 CYS HA 1 1 1 408 1 1 31 CYS HB2 H 5.663 4.522 -2.088 1.00 . A A . 31 CYS HB2 1 1 1 409 1 1 31 CYS HB3 H 5.995 2.891 -2.672 1.00 . A A . 31 CYS HB3 1 1 1 410 1 1 31 CYS N N 8.072 2.462 -0.978 1.00 . A A . 31 CYS N 1 1 1 411 1 1 31 CYS O O 7.895 6.006 -0.755 1.00 . A A . 31 CYS O 1 1 1 412 1 1 31 CYS SG S 5.104 2.862 -0.466 1.00 . A A . 31 CYS SG 1 1 1 413 1 1 32 LYS C C 9.234 5.358 2.391 1.00 . A A . 32 LYS C 1 1 1 414 1 1 32 LYS CA C 7.798 5.334 1.922 1.00 . A A . 32 LYS CA 1 1 1 415 1 1 32 LYS CB C 6.866 4.911 3.056 1.00 . A A . 32 LYS CB 1 1 1 416 1 1 32 LYS CD C 4.531 4.427 3.801 1.00 . A A . 32 LYS CD 1 1 1 417 1 1 32 LYS CE C 3.087 4.238 3.378 1.00 . A A . 32 LYS CE 1 1 1 418 1 1 32 LYS CG C 5.414 4.773 2.630 1.00 . A A . 32 LYS CG 1 1 1 419 1 1 32 LYS H H 7.590 3.472 1.009 1.00 . A A . 32 LYS H 1 1 1 420 1 1 32 LYS HA H 7.517 6.319 1.580 1.00 . A A . 32 LYS HA 1 1 1 421 1 1 32 LYS HB2 H 7.200 3.959 3.440 1.00 . A A . 32 LYS HB2 1 1 1 422 1 1 32 LYS HB3 H 6.920 5.646 3.845 1.00 . A A . 32 LYS HB3 1 1 1 423 1 1 32 LYS HD2 H 4.886 3.513 4.254 1.00 . A A . 32 LYS HD2 1 1 1 424 1 1 32 LYS HD3 H 4.585 5.232 4.519 1.00 . A A . 32 LYS HD3 1 1 1 425 1 1 32 LYS HE2 H 2.766 5.115 2.836 1.00 . A A . 32 LYS HE2 1 1 1 426 1 1 32 LYS HE3 H 3.020 3.372 2.735 1.00 . A A . 32 LYS HE3 1 1 1 427 1 1 32 LYS HG2 H 5.082 5.709 2.205 1.00 . A A . 32 LYS HG2 1 1 1 428 1 1 32 LYS HG3 H 5.339 3.993 1.886 1.00 . A A . 32 LYS HG3 1 1 1 429 1 1 32 LYS HZ1 H 2.228 4.902 5.132 1.00 . A A . 32 LYS HZ1 1 1 1 430 1 1 32 LYS HZ2 H 2.539 3.259 5.147 1.00 . A A . 32 LYS HZ2 1 1 1 431 1 1 32 LYS HZ3 H 1.219 3.870 4.267 1.00 . A A . 32 LYS HZ3 1 1 1 432 1 1 32 LYS N N 7.683 4.429 0.821 1.00 . A A . 32 LYS N 1 1 1 433 1 1 32 LYS NZ N 2.209 4.043 4.545 1.00 . A A . 32 LYS NZ 1 1 1 434 1 1 32 LYS O O 9.958 6.313 2.073 1.00 . A A . 32 LYS O 1 1 1 435 1 1 32 LYS OXT O 9.677 4.393 3.026 1.00 . A A . 32 LYS OXT 1 1 2 436 1 1 1 CYS C C -5.906 3.122 5.611 1.00 . A A . 1 CYS C 1 1 2 437 1 1 1 CYS CA C -5.280 4.452 5.986 1.00 . A A . 1 CYS CA 1 1 2 438 1 1 1 CYS CB C -3.825 4.262 6.419 1.00 . A A . 1 CYS CB 1 1 2 439 1 1 1 CYS H1 H -7.018 5.197 6.744 1.00 . A A . 1 CYS H1 1 1 2 440 1 1 1 CYS H2 H -5.631 5.965 7.359 1.00 . A A . 1 CYS H2 1 1 2 441 1 1 1 CYS H3 H -6.064 4.406 7.870 1.00 . A A . 1 CYS H3 1 1 2 442 1 1 1 CYS HA H -5.316 5.103 5.125 1.00 . A A . 1 CYS HA 1 1 2 443 1 1 1 CYS HB2 H -3.273 3.783 5.624 1.00 . A A . 1 CYS HB2 1 1 2 444 1 1 1 CYS HB3 H -3.394 5.232 6.615 1.00 . A A . 1 CYS HB3 1 1 2 445 1 1 1 CYS N N -6.039 5.058 7.060 1.00 . A A . 1 CYS N 1 1 2 446 1 1 1 CYS O O -6.541 2.466 6.456 1.00 . A A . 1 CYS O 1 1 2 447 1 1 1 CYS SG S -3.600 3.257 7.925 1.00 . A A . 1 CYS SG 1 1 2 448 1 1 2 ALA C C -5.317 0.365 4.209 1.00 . A A . 2 ALA C 1 1 2 449 1 1 2 ALA CA C -6.284 1.485 3.882 1.00 . A A . 2 ALA CA 1 1 2 450 1 1 2 ALA CB C -6.534 1.572 2.389 1.00 . A A . 2 ALA CB 1 1 2 451 1 1 2 ALA H H -5.252 3.295 3.734 1.00 . A A . 2 ALA H 1 1 2 452 1 1 2 ALA HA H -7.223 1.300 4.382 1.00 . A A . 2 ALA HA 1 1 2 453 1 1 2 ALA HB1 H -5.599 1.751 1.879 1.00 . A A . 2 ALA HB1 1 1 2 454 1 1 2 ALA HB2 H -7.214 2.387 2.191 1.00 . A A . 2 ALA HB2 1 1 2 455 1 1 2 ALA HB3 H -6.967 0.649 2.037 1.00 . A A . 2 ALA HB3 1 1 2 456 1 1 2 ALA N N -5.754 2.733 4.366 1.00 . A A . 2 ALA N 1 1 2 457 1 1 2 ALA O O -4.083 0.556 4.148 1.00 . A A . 2 ALA O 1 1 2 458 1 1 3 VAL C C -4.709 -2.773 3.750 1.00 . A A . 3 VAL C 1 1 2 459 1 1 3 VAL CA C -5.020 -1.898 4.959 1.00 . A A . 3 VAL CA 1 1 2 460 1 1 3 VAL CB C -5.668 -2.754 6.084 1.00 . A A . 3 VAL CB 1 1 2 461 1 1 3 VAL CG1 C -5.904 -1.913 7.326 1.00 . A A . 3 VAL CG1 1 1 2 462 1 1 3 VAL CG2 C -6.963 -3.406 5.612 1.00 . A A . 3 VAL CG2 1 1 2 463 1 1 3 VAL H H -6.828 -0.865 4.588 1.00 . A A . 3 VAL H 1 1 2 464 1 1 3 VAL HA H -4.087 -1.497 5.328 1.00 . A A . 3 VAL HA 1 1 2 465 1 1 3 VAL HB H -4.967 -3.532 6.347 1.00 . A A . 3 VAL HB 1 1 2 466 1 1 3 VAL HG11 H -4.967 -1.499 7.665 1.00 . A A . 3 VAL HG11 1 1 2 467 1 1 3 VAL HG12 H -6.318 -2.537 8.105 1.00 . A A . 3 VAL HG12 1 1 2 468 1 1 3 VAL HG13 H -6.592 -1.113 7.096 1.00 . A A . 3 VAL HG13 1 1 2 469 1 1 3 VAL HG21 H -6.747 -4.074 4.792 1.00 . A A . 3 VAL HG21 1 1 2 470 1 1 3 VAL HG22 H -7.632 -2.634 5.257 1.00 . A A . 3 VAL HG22 1 1 2 471 1 1 3 VAL HG23 H -7.425 -3.951 6.421 1.00 . A A . 3 VAL HG23 1 1 2 472 1 1 3 VAL N N -5.845 -0.769 4.584 1.00 . A A . 3 VAL N 1 1 2 473 1 1 3 VAL O O -5.076 -2.440 2.613 1.00 . A A . 3 VAL O 1 1 2 474 1 1 4 THR C C -4.870 -5.321 2.212 1.00 . A A . 4 THR C 1 1 2 475 1 1 4 THR CA C -3.638 -4.794 2.967 1.00 . A A . 4 THR CA 1 1 2 476 1 1 4 THR CB C -2.885 -5.967 3.607 1.00 . A A . 4 THR CB 1 1 2 477 1 1 4 THR CG2 C -2.122 -6.747 2.545 1.00 . A A . 4 THR CG2 1 1 2 478 1 1 4 THR H H -3.774 -4.083 4.914 1.00 . A A . 4 THR H 1 1 2 479 1 1 4 THR HA H -2.975 -4.292 2.278 1.00 . A A . 4 THR HA 1 1 2 480 1 1 4 THR HB H -3.589 -6.621 4.100 1.00 . A A . 4 THR HB 1 1 2 481 1 1 4 THR HG1 H -1.361 -6.169 4.820 1.00 . A A . 4 THR HG1 1 1 2 482 1 1 4 THR HG21 H -1.588 -7.565 3.006 1.00 . A A . 4 THR HG21 1 1 2 483 1 1 4 THR HG22 H -1.426 -6.082 2.057 1.00 . A A . 4 THR HG22 1 1 2 484 1 1 4 THR HG23 H -2.820 -7.129 1.815 1.00 . A A . 4 THR HG23 1 1 2 485 1 1 4 THR N N -4.034 -3.870 3.994 1.00 . A A . 4 THR N 1 1 2 486 1 1 4 THR O O -5.852 -5.748 2.837 1.00 . A A . 4 THR O 1 1 2 487 1 1 4 THR OG1 O -1.947 -5.443 4.569 1.00 . A A . 4 THR OG1 1 1 2 488 1 1 5 HIS C C -7.049 -4.707 -0.152 1.00 . A A . 5 HIS C 1 1 2 489 1 1 5 HIS CA C -5.882 -5.687 -0.022 1.00 . A A . 5 HIS CA 1 1 2 490 1 1 5 HIS CB C -6.353 -7.142 0.238 1.00 . A A . 5 HIS CB 1 1 2 491 1 1 5 HIS CD2 C -4.630 -8.470 -1.177 1.00 . A A . 5 HIS CD2 1 1 2 492 1 1 5 HIS CE1 C -3.924 -9.861 0.317 1.00 . A A . 5 HIS CE1 1 1 2 493 1 1 5 HIS CG C -5.299 -8.185 -0.033 1.00 . A A . 5 HIS CG 1 1 2 494 1 1 5 HIS H H -4.025 -4.805 0.486 1.00 . A A . 5 HIS H 1 1 2 495 1 1 5 HIS HA H -5.405 -5.662 -0.991 1.00 . A A . 5 HIS HA 1 1 2 496 1 1 5 HIS HB2 H -6.646 -7.234 1.274 1.00 . A A . 5 HIS HB2 1 1 2 497 1 1 5 HIS HB3 H -7.204 -7.351 -0.392 1.00 . A A . 5 HIS HB3 1 1 2 498 1 1 5 HIS HD1 H -5.146 -9.184 1.832 1.00 . A A . 5 HIS HD1 1 1 2 499 1 1 5 HIS HD2 H -4.750 -7.967 -2.125 1.00 . A A . 5 HIS HD2 1 1 2 500 1 1 5 HIS HE1 H -3.390 -10.661 0.810 1.00 . A A . 5 HIS HE1 1 1 2 501 1 1 5 HIS N N -4.821 -5.226 0.888 1.00 . A A . 5 HIS N 1 1 2 502 1 1 5 HIS ND1 N -4.837 -9.086 0.905 1.00 . A A . 5 HIS ND1 1 1 2 503 1 1 5 HIS NE2 N -3.760 -9.531 -0.949 1.00 . A A . 5 HIS NE2 1 1 2 504 1 1 5 HIS O O -8.010 -4.968 -0.886 1.00 . A A . 5 HIS O 1 1 2 505 1 1 6 GLU C C -7.510 -1.670 -0.779 1.00 . A A . 6 GLU C 1 1 2 506 1 1 6 GLU CA C -7.980 -2.551 0.353 1.00 . A A . 6 GLU CA 1 1 2 507 1 1 6 GLU CB C -8.224 -1.691 1.599 1.00 . A A . 6 GLU CB 1 1 2 508 1 1 6 GLU CD C -9.429 -1.375 3.756 1.00 . A A . 6 GLU CD 1 1 2 509 1 1 6 GLU CG C -8.946 -2.372 2.729 1.00 . A A . 6 GLU CG 1 1 2 510 1 1 6 GLU H H -6.278 -3.445 1.215 1.00 . A A . 6 GLU H 1 1 2 511 1 1 6 GLU HA H -8.900 -3.033 0.055 1.00 . A A . 6 GLU HA 1 1 2 512 1 1 6 GLU HB2 H -7.263 -1.409 2.003 1.00 . A A . 6 GLU HB2 1 1 2 513 1 1 6 GLU HB3 H -8.775 -0.805 1.321 1.00 . A A . 6 GLU HB3 1 1 2 514 1 1 6 GLU HG2 H -9.797 -2.906 2.332 1.00 . A A . 6 GLU HG2 1 1 2 515 1 1 6 GLU HG3 H -8.272 -3.066 3.209 1.00 . A A . 6 GLU HG3 1 1 2 516 1 1 6 GLU N N -6.993 -3.594 0.560 1.00 . A A . 6 GLU N 1 1 2 517 1 1 6 GLU O O -6.310 -1.596 -1.032 1.00 . A A . 6 GLU O 1 1 2 518 1 1 6 GLU OE1 O -8.640 -0.929 4.615 1.00 . A A . 6 GLU OE1 1 1 2 519 1 1 6 GLU OE2 O -10.620 -1.017 3.718 1.00 . A A . 6 GLU OE2 1 1 2 520 1 1 7 LYS C C -7.222 1.015 -2.092 1.00 . A A . 7 LYS C 1 1 2 521 1 1 7 LYS CA C -8.119 -0.130 -2.569 1.00 . A A . 7 LYS CA 1 1 2 522 1 1 7 LYS CB C -9.398 0.435 -3.174 1.00 . A A . 7 LYS CB 1 1 2 523 1 1 7 LYS CD C -11.512 1.692 -2.817 1.00 . A A . 7 LYS CD 1 1 2 524 1 1 7 LYS CE C -12.410 2.332 -1.793 1.00 . A A . 7 LYS CE 1 1 2 525 1 1 7 LYS CG C -10.273 1.151 -2.173 1.00 . A A . 7 LYS CG 1 1 2 526 1 1 7 LYS H H -9.378 -1.197 -1.226 1.00 . A A . 7 LYS H 1 1 2 527 1 1 7 LYS HA H -7.604 -0.699 -3.324 1.00 . A A . 7 LYS HA 1 1 2 528 1 1 7 LYS HB2 H -9.134 1.135 -3.953 1.00 . A A . 7 LYS HB2 1 1 2 529 1 1 7 LYS HB3 H -9.969 -0.371 -3.607 1.00 . A A . 7 LYS HB3 1 1 2 530 1 1 7 LYS HD2 H -11.229 2.432 -3.550 1.00 . A A . 7 LYS HD2 1 1 2 531 1 1 7 LYS HD3 H -12.042 0.884 -3.297 1.00 . A A . 7 LYS HD3 1 1 2 532 1 1 7 LYS HE2 H -13.323 2.654 -2.270 1.00 . A A . 7 LYS HE2 1 1 2 533 1 1 7 LYS HE3 H -12.620 1.568 -1.061 1.00 . A A . 7 LYS HE3 1 1 2 534 1 1 7 LYS HG2 H -10.552 0.465 -1.389 1.00 . A A . 7 LYS HG2 1 1 2 535 1 1 7 LYS HG3 H -9.710 1.969 -1.745 1.00 . A A . 7 LYS HG3 1 1 2 536 1 1 7 LYS HZ1 H -10.931 3.172 -0.583 1.00 . A A . 7 LYS HZ1 1 1 2 537 1 1 7 LYS HZ2 H -12.432 3.920 -0.448 1.00 . A A . 7 LYS HZ2 1 1 2 538 1 1 7 LYS HZ3 H -11.476 4.195 -1.811 1.00 . A A . 7 LYS HZ3 1 1 2 539 1 1 7 LYS N N -8.439 -1.039 -1.468 1.00 . A A . 7 LYS N 1 1 2 540 1 1 7 LYS NZ N -11.767 3.478 -1.116 1.00 . A A . 7 LYS NZ 1 1 2 541 1 1 7 LYS O O -7.343 1.475 -0.953 1.00 . A A . 7 LYS O 1 1 2 542 1 1 8 CYS C C -5.695 3.771 -3.389 1.00 . A A . 8 CYS C 1 1 2 543 1 1 8 CYS CA C -5.455 2.544 -2.550 1.00 . A A . 8 CYS CA 1 1 2 544 1 1 8 CYS CB C -3.997 2.100 -2.671 1.00 . A A . 8 CYS CB 1 1 2 545 1 1 8 CYS H H -6.284 1.117 -3.849 1.00 . A A . 8 CYS H 1 1 2 546 1 1 8 CYS HA H -5.656 2.783 -1.516 1.00 . A A . 8 CYS HA 1 1 2 547 1 1 8 CYS HB2 H -3.355 2.924 -2.393 1.00 . A A . 8 CYS HB2 1 1 2 548 1 1 8 CYS HB3 H -3.823 1.277 -1.993 1.00 . A A . 8 CYS HB3 1 1 2 549 1 1 8 CYS N N -6.349 1.482 -2.939 1.00 . A A . 8 CYS N 1 1 2 550 1 1 8 CYS O O -5.977 3.673 -4.595 1.00 . A A . 8 CYS O 1 1 2 551 1 1 8 CYS SG S -3.497 1.561 -4.339 1.00 . A A . 8 CYS SG 1 1 2 552 1 1 9 SER C C -4.405 6.619 -3.906 1.00 . A A . 9 SER C 1 1 2 553 1 1 9 SER CA C -5.800 6.160 -3.459 1.00 . A A . 9 SER CA 1 1 2 554 1 1 9 SER CB C -6.437 7.178 -2.526 1.00 . A A . 9 SER CB 1 1 2 555 1 1 9 SER H H -5.596 4.922 -1.773 1.00 . A A . 9 SER H 1 1 2 556 1 1 9 SER HA H -6.428 6.013 -4.325 1.00 . A A . 9 SER HA 1 1 2 557 1 1 9 SER HB2 H -5.707 7.515 -1.806 1.00 . A A . 9 SER HB2 1 1 2 558 1 1 9 SER HB3 H -6.804 8.017 -3.099 1.00 . A A . 9 SER HB3 1 1 2 559 1 1 9 SER HG H -7.145 6.092 -1.091 1.00 . A A . 9 SER HG 1 1 2 560 1 1 9 SER N N -5.668 4.911 -2.757 1.00 . A A . 9 SER N 1 1 2 561 1 1 9 SER O O -4.227 7.165 -5.002 1.00 . A A . 9 SER O 1 1 2 562 1 1 9 SER OG O -7.538 6.576 -1.835 1.00 . A A . 9 SER OG 1 1 2 563 1 1 10 ASP C C -1.243 5.813 -2.282 1.00 . A A . 10 ASP C 1 1 2 564 1 1 10 ASP CA C -2.031 6.639 -3.272 1.00 . A A . 10 ASP CA 1 1 2 565 1 1 10 ASP CB C -1.705 8.147 -3.116 1.00 . A A . 10 ASP CB 1 1 2 566 1 1 10 ASP CG C -1.985 8.731 -1.744 1.00 . A A . 10 ASP CG 1 1 2 567 1 1 10 ASP H H -3.615 5.881 -2.211 1.00 . A A . 10 ASP H 1 1 2 568 1 1 10 ASP HA H -1.784 6.305 -4.269 1.00 . A A . 10 ASP HA 1 1 2 569 1 1 10 ASP HB2 H -0.651 8.278 -3.305 1.00 . A A . 10 ASP HB2 1 1 2 570 1 1 10 ASP HB3 H -2.265 8.701 -3.855 1.00 . A A . 10 ASP HB3 1 1 2 571 1 1 10 ASP N N -3.429 6.340 -3.058 1.00 . A A . 10 ASP N 1 1 2 572 1 1 10 ASP O O -1.849 5.151 -1.439 1.00 . A A . 10 ASP O 1 1 2 573 1 1 10 ASP OD1 O -1.113 8.673 -0.867 1.00 . A A . 10 ASP OD1 1 1 2 574 1 1 10 ASP OD2 O -3.081 9.307 -1.540 1.00 . A A . 10 ASP OD2 1 1 2 575 1 1 11 ASP C C 0.786 5.396 -0.045 1.00 . A A . 11 ASP C 1 1 2 576 1 1 11 ASP CA C 0.940 5.008 -1.499 1.00 . A A . 11 ASP CA 1 1 2 577 1 1 11 ASP CB C 2.427 5.137 -1.872 1.00 . A A . 11 ASP CB 1 1 2 578 1 1 11 ASP CG C 2.762 4.668 -3.264 1.00 . A A . 11 ASP CG 1 1 2 579 1 1 11 ASP H H 0.477 6.386 -3.080 1.00 . A A . 11 ASP H 1 1 2 580 1 1 11 ASP HA H 0.647 3.975 -1.613 1.00 . A A . 11 ASP HA 1 1 2 581 1 1 11 ASP HB2 H 2.714 6.175 -1.797 1.00 . A A . 11 ASP HB2 1 1 2 582 1 1 11 ASP HB3 H 3.011 4.565 -1.166 1.00 . A A . 11 ASP HB3 1 1 2 583 1 1 11 ASP N N 0.071 5.827 -2.380 1.00 . A A . 11 ASP N 1 1 2 584 1 1 11 ASP O O 0.763 4.551 0.849 1.00 . A A . 11 ASP O 1 1 2 585 1 1 11 ASP OD1 O 3.185 5.499 -4.094 1.00 . A A . 11 ASP OD1 1 1 2 586 1 1 11 ASP OD2 O 2.606 3.479 -3.565 1.00 . A A . 11 ASP OD2 1 1 2 587 1 1 12 TYR C C -0.850 7.156 2.087 1.00 . A A . 12 TYR C 1 1 2 588 1 1 12 TYR CA C 0.564 7.213 1.524 1.00 . A A . 12 TYR CA 1 1 2 589 1 1 12 TYR CB C 1.136 8.634 1.521 1.00 . A A . 12 TYR CB 1 1 2 590 1 1 12 TYR CD1 C 3.647 8.387 1.714 1.00 . A A . 12 TYR CD1 1 1 2 591 1 1 12 TYR CD2 C 2.743 9.008 -0.401 1.00 . A A . 12 TYR CD2 1 1 2 592 1 1 12 TYR CE1 C 4.920 8.405 1.174 1.00 . A A . 12 TYR CE1 1 1 2 593 1 1 12 TYR CE2 C 4.011 9.032 -0.943 1.00 . A A . 12 TYR CE2 1 1 2 594 1 1 12 TYR CG C 2.537 8.686 0.938 1.00 . A A . 12 TYR CG 1 1 2 595 1 1 12 TYR CZ C 5.095 8.726 -0.153 1.00 . A A . 12 TYR CZ 1 1 2 596 1 1 12 TYR H H 0.445 7.285 -0.562 1.00 . A A . 12 TYR H 1 1 2 597 1 1 12 TYR HA H 1.190 6.589 2.144 1.00 . A A . 12 TYR HA 1 1 2 598 1 1 12 TYR HB2 H 0.498 9.275 0.930 1.00 . A A . 12 TYR HB2 1 1 2 599 1 1 12 TYR HB3 H 1.183 9.006 2.533 1.00 . A A . 12 TYR HB3 1 1 2 600 1 1 12 TYR HD1 H 3.508 8.136 2.754 1.00 . A A . 12 TYR HD1 1 1 2 601 1 1 12 TYR HD2 H 1.890 9.248 -1.018 1.00 . A A . 12 TYR HD2 1 1 2 602 1 1 12 TYR HE1 H 5.772 8.169 1.794 1.00 . A A . 12 TYR HE1 1 1 2 603 1 1 12 TYR HE2 H 4.148 9.283 -1.985 1.00 . A A . 12 TYR HE2 1 1 2 604 1 1 12 TYR HH H 6.783 7.881 -0.531 1.00 . A A . 12 TYR HH 1 1 2 605 1 1 12 TYR N N 0.603 6.666 0.186 1.00 . A A . 12 TYR N 1 1 2 606 1 1 12 TYR O O -1.131 7.654 3.172 1.00 . A A . 12 TYR O 1 1 2 607 1 1 12 TYR OH O 6.361 8.738 -0.697 1.00 . A A . 12 TYR OH 1 1 2 608 1 1 13 ASP C C -3.201 4.911 2.355 1.00 . A A . 13 ASP C 1 1 2 609 1 1 13 ASP CA C -3.120 6.298 1.712 1.00 . A A . 13 ASP CA 1 1 2 610 1 1 13 ASP CB C -4.022 6.388 0.463 1.00 . A A . 13 ASP CB 1 1 2 611 1 1 13 ASP CG C -5.490 6.078 0.690 1.00 . A A . 13 ASP CG 1 1 2 612 1 1 13 ASP H H -1.438 6.283 0.421 1.00 . A A . 13 ASP H 1 1 2 613 1 1 13 ASP HA H -3.418 7.045 2.432 1.00 . A A . 13 ASP HA 1 1 2 614 1 1 13 ASP HB2 H -3.961 7.386 0.055 1.00 . A A . 13 ASP HB2 1 1 2 615 1 1 13 ASP HB3 H -3.641 5.698 -0.276 1.00 . A A . 13 ASP HB3 1 1 2 616 1 1 13 ASP N N -1.733 6.557 1.317 1.00 . A A . 13 ASP N 1 1 2 617 1 1 13 ASP O O -4.160 4.569 3.047 1.00 . A A . 13 ASP O 1 1 2 618 1 1 13 ASP OD1 O -6.156 6.789 1.466 1.00 . A A . 13 ASP OD1 1 1 2 619 1 1 13 ASP OD2 O -6.028 5.186 0.003 1.00 . A A . 13 ASP OD2 1 1 2 620 1 1 14 CYS C C -1.342 2.801 4.032 1.00 . A A . 14 CYS C 1 1 2 621 1 1 14 CYS CA C -2.053 2.801 2.685 1.00 . A A . 14 CYS CA 1 1 2 622 1 1 14 CYS CB C -1.297 1.930 1.695 1.00 . A A . 14 CYS CB 1 1 2 623 1 1 14 CYS H H -1.394 4.503 1.653 1.00 . A A . 14 CYS H 1 1 2 624 1 1 14 CYS HA H -3.051 2.407 2.805 1.00 . A A . 14 CYS HA 1 1 2 625 1 1 14 CYS HB2 H -0.295 2.313 1.571 1.00 . A A . 14 CYS HB2 1 1 2 626 1 1 14 CYS HB3 H -1.254 0.922 2.079 1.00 . A A . 14 CYS HB3 1 1 2 627 1 1 14 CYS N N -2.152 4.147 2.164 1.00 . A A . 14 CYS N 1 1 2 628 1 1 14 CYS O O -0.495 3.658 4.292 1.00 . A A . 14 CYS O 1 1 2 629 1 1 14 CYS SG S -2.076 1.863 0.060 1.00 . A A . 14 CYS SG 1 1 2 630 1 1 15 CYS C C 0.302 1.153 6.162 1.00 . A A . 15 CYS C 1 1 2 631 1 1 15 CYS CA C -1.107 1.737 6.214 1.00 . A A . 15 CYS CA 1 1 2 632 1 1 15 CYS CB C -1.966 0.823 7.087 1.00 . A A . 15 CYS CB 1 1 2 633 1 1 15 CYS H H -2.414 1.239 4.620 1.00 . A A . 15 CYS H 1 1 2 634 1 1 15 CYS HA H -1.082 2.714 6.671 1.00 . A A . 15 CYS HA 1 1 2 635 1 1 15 CYS HB2 H -1.970 -0.166 6.655 1.00 . A A . 15 CYS HB2 1 1 2 636 1 1 15 CYS HB3 H -1.529 0.772 8.073 1.00 . A A . 15 CYS HB3 1 1 2 637 1 1 15 CYS N N -1.701 1.868 4.882 1.00 . A A . 15 CYS N 1 1 2 638 1 1 15 CYS O O 0.642 0.418 5.235 1.00 . A A . 15 CYS O 1 1 2 639 1 1 15 CYS SG S -3.694 1.341 7.268 1.00 . A A . 15 CYS SG 1 1 2 640 1 1 16 GLY C C 3.347 1.042 6.139 1.00 . A A . 16 GLY C 1 1 2 641 1 1 16 GLY CA C 2.431 0.942 7.337 1.00 . A A . 16 GLY CA 1 1 2 642 1 1 16 GLY H H 0.812 2.220 7.764 1.00 . A A . 16 GLY H 1 1 2 643 1 1 16 GLY HA2 H 2.904 1.446 8.167 1.00 . A A . 16 GLY HA2 1 1 2 644 1 1 16 GLY HA3 H 2.303 -0.098 7.596 1.00 . A A . 16 GLY HA3 1 1 2 645 1 1 16 GLY N N 1.110 1.518 7.146 1.00 . A A . 16 GLY N 1 1 2 646 1 1 16 GLY O O 3.429 2.076 5.499 1.00 . A A . 16 GLY O 1 1 2 647 1 1 17 SER C C 4.301 -0.511 3.404 1.00 . A A . 17 SER C 1 1 2 648 1 1 17 SER CA C 4.948 -0.088 4.736 1.00 . A A . 17 SER CA 1 1 2 649 1 1 17 SER CB C 6.056 -1.054 5.132 1.00 . A A . 17 SER CB 1 1 2 650 1 1 17 SER H H 3.851 -0.869 6.331 1.00 . A A . 17 SER H 1 1 2 651 1 1 17 SER HA H 5.382 0.895 4.625 1.00 . A A . 17 SER HA 1 1 2 652 1 1 17 SER HB2 H 6.694 -1.235 4.278 1.00 . A A . 17 SER HB2 1 1 2 653 1 1 17 SER HB3 H 6.641 -0.635 5.937 1.00 . A A . 17 SER HB3 1 1 2 654 1 1 17 SER HG H 5.910 -2.530 6.409 1.00 . A A . 17 SER HG 1 1 2 655 1 1 17 SER N N 3.991 -0.044 5.819 1.00 . A A . 17 SER N 1 1 2 656 1 1 17 SER O O 5.003 -0.893 2.453 1.00 . A A . 17 SER O 1 1 2 657 1 1 17 SER OG O 5.504 -2.297 5.563 1.00 . A A . 17 SER OG 1 1 2 658 1 1 18 LEU C C 2.348 0.266 1.078 1.00 . A A . 18 LEU C 1 1 2 659 1 1 18 LEU CA C 2.259 -0.822 2.128 1.00 . A A . 18 LEU CA 1 1 2 660 1 1 18 LEU CB C 0.787 -1.088 2.421 1.00 . A A . 18 LEU CB 1 1 2 661 1 1 18 LEU CD1 C -1.043 -2.244 3.612 1.00 . A A . 18 LEU CD1 1 1 2 662 1 1 18 LEU CD2 C 0.994 -3.521 3.008 1.00 . A A . 18 LEU CD2 1 1 2 663 1 1 18 LEU CG C 0.450 -2.173 3.438 1.00 . A A . 18 LEU CG 1 1 2 664 1 1 18 LEU H H 2.476 -0.075 4.093 1.00 . A A . 18 LEU H 1 1 2 665 1 1 18 LEU HA H 2.707 -1.725 1.741 1.00 . A A . 18 LEU HA 1 1 2 666 1 1 18 LEU HB2 H 0.362 -0.164 2.786 1.00 . A A . 18 LEU HB2 1 1 2 667 1 1 18 LEU HB3 H 0.301 -1.336 1.488 1.00 . A A . 18 LEU HB3 1 1 2 668 1 1 18 LEU HD11 H -1.412 -1.305 3.993 1.00 . A A . 18 LEU HD11 1 1 2 669 1 1 18 LEU HD12 H -1.287 -3.043 4.296 1.00 . A A . 18 LEU HD12 1 1 2 670 1 1 18 LEU HD13 H -1.496 -2.444 2.652 1.00 . A A . 18 LEU HD13 1 1 2 671 1 1 18 LEU HD21 H 0.574 -3.792 2.051 1.00 . A A . 18 LEU HD21 1 1 2 672 1 1 18 LEU HD22 H 0.723 -4.266 3.743 1.00 . A A . 18 LEU HD22 1 1 2 673 1 1 18 LEU HD23 H 2.069 -3.469 2.929 1.00 . A A . 18 LEU HD23 1 1 2 674 1 1 18 LEU HG H 0.886 -1.909 4.390 1.00 . A A . 18 LEU HG 1 1 2 675 1 1 18 LEU N N 2.979 -0.431 3.330 1.00 . A A . 18 LEU N 1 1 2 676 1 1 18 LEU O O 2.420 1.458 1.406 1.00 . A A . 18 LEU O 1 1 2 677 1 1 19 CYS C C 1.144 0.556 -2.143 1.00 . A A . 19 CYS C 1 1 2 678 1 1 19 CYS CA C 2.369 0.751 -1.272 1.00 . A A . 19 CYS CA 1 1 2 679 1 1 19 CYS CB C 3.663 0.529 -2.051 1.00 . A A . 19 CYS CB 1 1 2 680 1 1 19 CYS H H 2.206 -1.101 -0.350 1.00 . A A . 19 CYS H 1 1 2 681 1 1 19 CYS HA H 2.358 1.759 -0.885 1.00 . A A . 19 CYS HA 1 1 2 682 1 1 19 CYS HB2 H 3.721 -0.506 -2.352 1.00 . A A . 19 CYS HB2 1 1 2 683 1 1 19 CYS HB3 H 3.670 1.157 -2.929 1.00 . A A . 19 CYS HB3 1 1 2 684 1 1 19 CYS N N 2.305 -0.142 -0.154 1.00 . A A . 19 CYS N 1 1 2 685 1 1 19 CYS O O 0.397 -0.431 -1.976 1.00 . A A . 19 CYS O 1 1 2 686 1 1 19 CYS SG S 5.153 0.915 -1.071 1.00 . A A . 19 CYS SG 1 1 2 687 1 1 20 CYS C C -0.005 0.795 -5.204 1.00 . A A . 20 CYS C 1 1 2 688 1 1 20 CYS CA C -0.256 1.447 -3.856 1.00 . A A . 20 CYS CA 1 1 2 689 1 1 20 CYS CB C -0.758 2.877 -4.045 1.00 . A A . 20 CYS CB 1 1 2 690 1 1 20 CYS H H 1.588 2.179 -3.213 1.00 . A A . 20 CYS H 1 1 2 691 1 1 20 CYS HA H -1.023 0.893 -3.335 1.00 . A A . 20 CYS HA 1 1 2 692 1 1 20 CYS HB2 H -0.942 3.314 -3.076 1.00 . A A . 20 CYS HB2 1 1 2 693 1 1 20 CYS HB3 H 0.010 3.450 -4.544 1.00 . A A . 20 CYS HB3 1 1 2 694 1 1 20 CYS N N 0.923 1.462 -3.049 1.00 . A A . 20 CYS N 1 1 2 695 1 1 20 CYS O O 0.816 1.260 -6.004 1.00 . A A . 20 CYS O 1 1 2 696 1 1 20 CYS SG S -2.298 3.049 -5.013 1.00 . A A . 20 CYS SG 1 1 2 697 1 1 21 VAL C C -2.102 -1.443 -7.017 1.00 . A A . 21 VAL C 1 1 2 698 1 1 21 VAL CA C -0.672 -0.961 -6.708 1.00 . A A . 21 VAL CA 1 1 2 699 1 1 21 VAL CB C 0.418 -2.105 -6.749 1.00 . A A . 21 VAL CB 1 1 2 700 1 1 21 VAL CG1 C 0.231 -3.139 -5.641 1.00 . A A . 21 VAL CG1 1 1 2 701 1 1 21 VAL CG2 C 0.507 -2.765 -8.124 1.00 . A A . 21 VAL CG2 1 1 2 702 1 1 21 VAL H H -1.273 -0.648 -4.733 1.00 . A A . 21 VAL H 1 1 2 703 1 1 21 VAL HA H -0.435 -0.205 -7.444 1.00 . A A . 21 VAL HA 1 1 2 704 1 1 21 VAL HB H 1.364 -1.622 -6.550 1.00 . A A . 21 VAL HB 1 1 2 705 1 1 21 VAL HG11 H -0.738 -3.604 -5.744 1.00 . A A . 21 VAL HG11 1 1 2 706 1 1 21 VAL HG12 H 0.296 -2.651 -4.680 1.00 . A A . 21 VAL HG12 1 1 2 707 1 1 21 VAL HG13 H 1.004 -3.891 -5.716 1.00 . A A . 21 VAL HG13 1 1 2 708 1 1 21 VAL HG21 H 0.783 -2.029 -8.863 1.00 . A A . 21 VAL HG21 1 1 2 709 1 1 21 VAL HG22 H -0.454 -3.188 -8.380 1.00 . A A . 21 VAL HG22 1 1 2 710 1 1 21 VAL HG23 H 1.249 -3.550 -8.099 1.00 . A A . 21 VAL HG23 1 1 2 711 1 1 21 VAL N N -0.699 -0.280 -5.445 1.00 . A A . 21 VAL N 1 1 2 712 1 1 21 VAL O O -2.428 -2.644 -6.995 1.00 . A A . 21 VAL O 1 1 2 713 1 1 22 GLY C C -5.083 -0.881 -6.008 1.00 . A A . 22 GLY C 1 1 2 714 1 1 22 GLY CA C -4.414 -0.733 -7.362 1.00 . A A . 22 GLY CA 1 1 2 715 1 1 22 GLY H H -2.680 0.464 -7.146 1.00 . A A . 22 GLY H 1 1 2 716 1 1 22 GLY HA2 H -4.865 0.086 -7.904 1.00 . A A . 22 GLY HA2 1 1 2 717 1 1 22 GLY HA3 H -4.538 -1.650 -7.918 1.00 . A A . 22 GLY HA3 1 1 2 718 1 1 22 GLY N N -2.990 -0.466 -7.173 1.00 . A A . 22 GLY N 1 1 2 719 1 1 22 GLY O O -6.106 -0.240 -5.697 1.00 . A A . 22 GLY O 1 1 2 720 1 1 23 ILE C C -3.563 -1.751 -3.013 1.00 . A A . 23 ILE C 1 1 2 721 1 1 23 ILE CA C -4.824 -1.948 -3.847 1.00 . A A . 23 ILE CA 1 1 2 722 1 1 23 ILE CB C -5.341 -3.402 -3.647 1.00 . A A . 23 ILE CB 1 1 2 723 1 1 23 ILE CD1 C -4.664 -5.863 -3.946 1.00 . A A . 23 ILE CD1 1 1 2 724 1 1 23 ILE CG1 C -4.294 -4.417 -4.161 1.00 . A A . 23 ILE CG1 1 1 2 725 1 1 23 ILE CG2 C -6.696 -3.600 -4.331 1.00 . A A . 23 ILE CG2 1 1 2 726 1 1 23 ILE H H -3.691 -2.180 -5.566 1.00 . A A . 23 ILE H 1 1 2 727 1 1 23 ILE HA H -5.583 -1.243 -3.542 1.00 . A A . 23 ILE HA 1 1 2 728 1 1 23 ILE HB H -5.483 -3.557 -2.587 1.00 . A A . 23 ILE HB 1 1 2 729 1 1 23 ILE HD11 H -5.589 -6.076 -4.462 1.00 . A A . 23 ILE HD11 1 1 2 730 1 1 23 ILE HD12 H -4.790 -6.044 -2.889 1.00 . A A . 23 ILE HD12 1 1 2 731 1 1 23 ILE HD13 H -3.881 -6.499 -4.331 1.00 . A A . 23 ILE HD13 1 1 2 732 1 1 23 ILE HG12 H -4.156 -4.272 -5.222 1.00 . A A . 23 ILE HG12 1 1 2 733 1 1 23 ILE HG13 H -3.355 -4.233 -3.658 1.00 . A A . 23 ILE HG13 1 1 2 734 1 1 23 ILE HG21 H -7.421 -2.923 -3.903 1.00 . A A . 23 ILE HG21 1 1 2 735 1 1 23 ILE HG22 H -7.027 -4.619 -4.188 1.00 . A A . 23 ILE HG22 1 1 2 736 1 1 23 ILE HG23 H -6.596 -3.401 -5.388 1.00 . A A . 23 ILE HG23 1 1 2 737 1 1 23 ILE N N -4.470 -1.700 -5.208 1.00 . A A . 23 ILE N 1 1 2 738 1 1 23 ILE O O -2.454 -1.655 -3.576 1.00 . A A . 23 ILE O 1 1 2 739 1 1 24 CYS C C -1.944 -2.892 -0.648 1.00 . A A . 24 CYS C 1 1 2 740 1 1 24 CYS CA C -2.589 -1.540 -0.837 1.00 . A A . 24 CYS CA 1 1 2 741 1 1 24 CYS CB C -3.024 -0.966 0.501 1.00 . A A . 24 CYS CB 1 1 2 742 1 1 24 CYS H H -4.624 -1.660 -1.349 1.00 . A A . 24 CYS H 1 1 2 743 1 1 24 CYS HA H -1.873 -0.872 -1.293 1.00 . A A . 24 CYS HA 1 1 2 744 1 1 24 CYS HB2 H -3.763 -1.618 0.943 1.00 . A A . 24 CYS HB2 1 1 2 745 1 1 24 CYS HB3 H -2.164 -0.922 1.154 1.00 . A A . 24 CYS HB3 1 1 2 746 1 1 24 CYS N N -3.715 -1.660 -1.728 1.00 . A A . 24 CYS N 1 1 2 747 1 1 24 CYS O O -2.574 -3.832 -0.123 1.00 . A A . 24 CYS O 1 1 2 748 1 1 24 CYS SG S -3.716 0.710 0.378 1.00 . A A . 24 CYS SG 1 1 2 749 1 1 25 ALA C C 1.427 -3.955 -0.585 1.00 . A A . 25 ALA C 1 1 2 750 1 1 25 ALA CA C 0.008 -4.239 -1.009 1.00 . A A . 25 ALA CA 1 1 2 751 1 1 25 ALA CB C -0.019 -4.957 -2.351 1.00 . A A . 25 ALA CB 1 1 2 752 1 1 25 ALA H H -0.269 -2.212 -1.462 1.00 . A A . 25 ALA H 1 1 2 753 1 1 25 ALA HA H -0.468 -4.865 -0.270 1.00 . A A . 25 ALA HA 1 1 2 754 1 1 25 ALA HB1 H -1.041 -5.154 -2.636 1.00 . A A . 25 ALA HB1 1 1 2 755 1 1 25 ALA HB2 H 0.521 -5.890 -2.272 1.00 . A A . 25 ALA HB2 1 1 2 756 1 1 25 ALA HB3 H 0.451 -4.336 -3.100 1.00 . A A . 25 ALA HB3 1 1 2 757 1 1 25 ALA N N -0.722 -3.004 -1.086 1.00 . A A . 25 ALA N 1 1 2 758 1 1 25 ALA O O 1.908 -2.825 -0.717 1.00 . A A . 25 ALA O 1 1 2 759 1 1 26 LYS C C 4.392 -5.143 -0.745 1.00 . A A . 26 LYS C 1 1 2 760 1 1 26 LYS CA C 3.435 -4.807 0.385 1.00 . A A . 26 LYS CA 1 1 2 761 1 1 26 LYS CB C 3.687 -5.703 1.613 1.00 . A A . 26 LYS CB 1 1 2 762 1 1 26 LYS CD C 5.506 -4.230 2.554 1.00 . A A . 26 LYS CD 1 1 2 763 1 1 26 LYS CE C 6.924 -4.184 3.088 1.00 . A A . 26 LYS CE 1 1 2 764 1 1 26 LYS CG C 5.105 -5.644 2.165 1.00 . A A . 26 LYS CG 1 1 2 765 1 1 26 LYS H H 1.635 -5.819 0.016 1.00 . A A . 26 LYS H 1 1 2 766 1 1 26 LYS HA H 3.578 -3.776 0.671 1.00 . A A . 26 LYS HA 1 1 2 767 1 1 26 LYS HB2 H 3.008 -5.410 2.401 1.00 . A A . 26 LYS HB2 1 1 2 768 1 1 26 LYS HB3 H 3.472 -6.725 1.339 1.00 . A A . 26 LYS HB3 1 1 2 769 1 1 26 LYS HD2 H 5.446 -3.596 1.682 1.00 . A A . 26 LYS HD2 1 1 2 770 1 1 26 LYS HD3 H 4.829 -3.868 3.314 1.00 . A A . 26 LYS HD3 1 1 2 771 1 1 26 LYS HE2 H 7.181 -3.161 3.314 1.00 . A A . 26 LYS HE2 1 1 2 772 1 1 26 LYS HE3 H 6.971 -4.767 3.996 1.00 . A A . 26 LYS HE3 1 1 2 773 1 1 26 LYS HG2 H 5.169 -6.274 3.041 1.00 . A A . 26 LYS HG2 1 1 2 774 1 1 26 LYS HG3 H 5.785 -6.007 1.409 1.00 . A A . 26 LYS HG3 1 1 2 775 1 1 26 LYS HZ1 H 8.873 -4.610 2.469 1.00 . A A . 26 LYS HZ1 1 1 2 776 1 1 26 LYS HZ2 H 7.840 -4.254 1.187 1.00 . A A . 26 LYS HZ2 1 1 2 777 1 1 26 LYS HZ3 H 7.743 -5.735 1.960 1.00 . A A . 26 LYS HZ3 1 1 2 778 1 1 26 LYS N N 2.081 -4.947 -0.064 1.00 . A A . 26 LYS N 1 1 2 779 1 1 26 LYS NZ N 7.901 -4.720 2.117 1.00 . A A . 26 LYS NZ 1 1 2 780 1 1 26 LYS O O 4.470 -6.294 -1.185 1.00 . A A . 26 LYS O 1 1 2 781 1 1 27 THR C C 7.444 -4.417 -1.681 1.00 . A A . 27 THR C 1 1 2 782 1 1 27 THR CA C 6.036 -4.288 -2.281 1.00 . A A . 27 THR CA 1 1 2 783 1 1 27 THR CB C 5.959 -3.040 -3.170 1.00 . A A . 27 THR CB 1 1 2 784 1 1 27 THR CG2 C 4.705 -3.061 -4.033 1.00 . A A . 27 THR CG2 1 1 2 785 1 1 27 THR H H 4.941 -3.229 -0.902 1.00 . A A . 27 THR H 1 1 2 786 1 1 27 THR HA H 5.798 -5.156 -2.877 1.00 . A A . 27 THR HA 1 1 2 787 1 1 27 THR HB H 6.836 -2.990 -3.799 1.00 . A A . 27 THR HB 1 1 2 788 1 1 27 THR HG1 H 6.625 -1.274 -2.567 1.00 . A A . 27 THR HG1 1 1 2 789 1 1 27 THR HG21 H 4.717 -3.936 -4.666 1.00 . A A . 27 THR HG21 1 1 2 790 1 1 27 THR HG22 H 4.672 -2.173 -4.647 1.00 . A A . 27 THR HG22 1 1 2 791 1 1 27 THR HG23 H 3.833 -3.090 -3.398 1.00 . A A . 27 THR HG23 1 1 2 792 1 1 27 THR N N 5.069 -4.146 -1.229 1.00 . A A . 27 THR N 1 1 2 793 1 1 27 THR O O 7.652 -4.079 -0.505 1.00 . A A . 27 THR O 1 1 2 794 1 1 27 THR OG1 O 5.926 -1.891 -2.317 1.00 . A A . 27 THR OG1 1 1 2 795 1 1 28 ILE C C 10.415 -3.644 -1.994 1.00 . A A . 28 ILE C 1 1 2 796 1 1 28 ILE CA C 9.779 -5.029 -2.017 1.00 . A A . 28 ILE CA 1 1 2 797 1 1 28 ILE CB C 10.609 -5.967 -2.952 1.00 . A A . 28 ILE CB 1 1 2 798 1 1 28 ILE CD1 C 10.677 -8.334 -3.933 1.00 . A A . 28 ILE CD1 1 1 2 799 1 1 28 ILE CG1 C 9.963 -7.355 -3.024 1.00 . A A . 28 ILE CG1 1 1 2 800 1 1 28 ILE CG2 C 12.062 -6.078 -2.469 1.00 . A A . 28 ILE CG2 1 1 2 801 1 1 28 ILE H H 8.176 -5.171 -3.382 1.00 . A A . 28 ILE H 1 1 2 802 1 1 28 ILE HA H 9.774 -5.432 -1.014 1.00 . A A . 28 ILE HA 1 1 2 803 1 1 28 ILE HB H 10.619 -5.533 -3.941 1.00 . A A . 28 ILE HB 1 1 2 804 1 1 28 ILE HD11 H 10.695 -7.941 -4.938 1.00 . A A . 28 ILE HD11 1 1 2 805 1 1 28 ILE HD12 H 10.158 -9.280 -3.923 1.00 . A A . 28 ILE HD12 1 1 2 806 1 1 28 ILE HD13 H 11.690 -8.475 -3.584 1.00 . A A . 28 ILE HD13 1 1 2 807 1 1 28 ILE HG12 H 9.942 -7.786 -2.034 1.00 . A A . 28 ILE HG12 1 1 2 808 1 1 28 ILE HG13 H 8.950 -7.245 -3.384 1.00 . A A . 28 ILE HG13 1 1 2 809 1 1 28 ILE HG21 H 12.079 -6.477 -1.465 1.00 . A A . 28 ILE HG21 1 1 2 810 1 1 28 ILE HG22 H 12.518 -5.099 -2.474 1.00 . A A . 28 ILE HG22 1 1 2 811 1 1 28 ILE HG23 H 12.610 -6.735 -3.127 1.00 . A A . 28 ILE HG23 1 1 2 812 1 1 28 ILE N N 8.395 -4.902 -2.465 1.00 . A A . 28 ILE N 1 1 2 813 1 1 28 ILE O O 11.219 -3.320 -1.115 1.00 . A A . 28 ILE O 1 1 2 814 1 1 29 ALA C C 9.667 -0.546 -2.187 1.00 . A A . 29 ALA C 1 1 2 815 1 1 29 ALA CA C 10.516 -1.480 -3.051 1.00 . A A . 29 ALA CA 1 1 2 816 1 1 29 ALA CB C 10.484 -1.028 -4.499 1.00 . A A . 29 ALA CB 1 1 2 817 1 1 29 ALA H H 9.372 -3.147 -3.605 1.00 . A A . 29 ALA H 1 1 2 818 1 1 29 ALA HA H 11.541 -1.468 -2.710 1.00 . A A . 29 ALA HA 1 1 2 819 1 1 29 ALA HB1 H 9.465 -1.036 -4.856 1.00 . A A . 29 ALA HB1 1 1 2 820 1 1 29 ALA HB2 H 11.081 -1.697 -5.100 1.00 . A A . 29 ALA HB2 1 1 2 821 1 1 29 ALA HB3 H 10.882 -0.026 -4.570 1.00 . A A . 29 ALA HB3 1 1 2 822 1 1 29 ALA N N 10.025 -2.829 -2.945 1.00 . A A . 29 ALA N 1 1 2 823 1 1 29 ALA O O 8.466 -0.379 -2.447 1.00 . A A . 29 ALA O 1 1 2 824 1 1 30 PRO C C 9.224 2.291 -0.952 1.00 . A A . 30 PRO C 1 1 2 825 1 1 30 PRO CA C 9.552 0.973 -0.252 1.00 . A A . 30 PRO CA 1 1 2 826 1 1 30 PRO CB C 10.531 1.225 0.901 1.00 . A A . 30 PRO CB 1 1 2 827 1 1 30 PRO CD C 11.647 -0.154 -0.701 1.00 . A A . 30 PRO CD 1 1 2 828 1 1 30 PRO CG C 11.613 0.212 0.749 1.00 . A A . 30 PRO CG 1 1 2 829 1 1 30 PRO HA H 8.638 0.544 0.128 1.00 . A A . 30 PRO HA 1 1 2 830 1 1 30 PRO HB2 H 10.909 2.231 0.815 1.00 . A A . 30 PRO HB2 1 1 2 831 1 1 30 PRO HB3 H 10.016 1.113 1.843 1.00 . A A . 30 PRO HB3 1 1 2 832 1 1 30 PRO HD2 H 12.320 0.496 -1.239 1.00 . A A . 30 PRO HD2 1 1 2 833 1 1 30 PRO HD3 H 11.943 -1.187 -0.805 1.00 . A A . 30 PRO HD3 1 1 2 834 1 1 30 PRO HG2 H 12.558 0.637 1.050 1.00 . A A . 30 PRO HG2 1 1 2 835 1 1 30 PRO HG3 H 11.390 -0.657 1.350 1.00 . A A . 30 PRO HG3 1 1 2 836 1 1 30 PRO N N 10.256 0.044 -1.132 1.00 . A A . 30 PRO N 1 1 2 837 1 1 30 PRO O O 10.110 2.995 -1.446 1.00 . A A . 30 PRO O 1 1 2 838 1 1 31 CYS C C 7.476 4.989 -0.627 1.00 . A A . 31 CYS C 1 1 2 839 1 1 31 CYS CA C 7.477 3.832 -1.616 1.00 . A A . 31 CYS CA 1 1 2 840 1 1 31 CYS CB C 6.070 3.585 -2.113 1.00 . A A . 31 CYS CB 1 1 2 841 1 1 31 CYS H H 7.299 2.005 -0.597 1.00 . A A . 31 CYS H 1 1 2 842 1 1 31 CYS HA H 8.108 4.072 -2.457 1.00 . A A . 31 CYS HA 1 1 2 843 1 1 31 CYS HB2 H 5.641 4.515 -2.456 1.00 . A A . 31 CYS HB2 1 1 2 844 1 1 31 CYS HB3 H 6.088 2.870 -2.922 1.00 . A A . 31 CYS HB3 1 1 2 845 1 1 31 CYS N N 7.965 2.614 -0.987 1.00 . A A . 31 CYS N 1 1 2 846 1 1 31 CYS O O 7.369 6.156 -1.003 1.00 . A A . 31 CYS O 1 1 2 847 1 1 31 CYS SG S 5.002 2.913 -0.805 1.00 . A A . 31 CYS SG 1 1 2 848 1 1 32 LYS C C 8.980 5.826 2.161 1.00 . A A . 32 LYS C 1 1 2 849 1 1 32 LYS CA C 7.585 5.664 1.659 1.00 . A A . 32 LYS CA 1 1 2 850 1 1 32 LYS CB C 6.660 5.275 2.800 1.00 . A A . 32 LYS CB 1 1 2 851 1 1 32 LYS CD C 4.390 4.670 3.568 1.00 . A A . 32 LYS CD 1 1 2 852 1 1 32 LYS CE C 2.973 4.362 3.169 1.00 . A A . 32 LYS CE 1 1 2 853 1 1 32 LYS CG C 5.239 4.999 2.376 1.00 . A A . 32 LYS CG 1 1 2 854 1 1 32 LYS H H 7.706 3.732 0.891 1.00 . A A . 32 LYS H 1 1 2 855 1 1 32 LYS HA H 7.251 6.595 1.226 1.00 . A A . 32 LYS HA 1 1 2 856 1 1 32 LYS HB2 H 7.044 4.389 3.280 1.00 . A A . 32 LYS HB2 1 1 2 857 1 1 32 LYS HB3 H 6.646 6.080 3.521 1.00 . A A . 32 LYS HB3 1 1 2 858 1 1 32 LYS HD2 H 4.805 3.808 4.071 1.00 . A A . 32 LYS HD2 1 1 2 859 1 1 32 LYS HD3 H 4.389 5.513 4.243 1.00 . A A . 32 LYS HD3 1 1 2 860 1 1 32 LYS HE2 H 2.577 5.198 2.616 1.00 . A A . 32 LYS HE2 1 1 2 861 1 1 32 LYS HE3 H 2.967 3.480 2.544 1.00 . A A . 32 LYS HE3 1 1 2 862 1 1 32 LYS HG2 H 4.838 5.876 1.887 1.00 . A A . 32 LYS HG2 1 1 2 863 1 1 32 LYS HG3 H 5.229 4.164 1.690 1.00 . A A . 32 LYS HG3 1 1 2 864 1 1 32 LYS HZ1 H 1.158 3.885 4.113 1.00 . A A . 32 LYS HZ1 1 1 2 865 1 1 32 LYS HZ2 H 2.140 4.954 4.969 1.00 . A A . 32 LYS HZ2 1 1 2 866 1 1 32 LYS HZ3 H 2.548 3.338 4.910 1.00 . A A . 32 LYS HZ3 1 1 2 867 1 1 32 LYS N N 7.591 4.669 0.632 1.00 . A A . 32 LYS N 1 1 2 868 1 1 32 LYS NZ N 2.145 4.120 4.350 1.00 . A A . 32 LYS NZ 1 1 2 869 1 1 32 LYS O O 9.597 6.867 1.896 1.00 . A A . 32 LYS O 1 1 2 870 1 1 32 LYS OXT O 9.506 4.872 2.754 1.00 . A A . 32 LYS OXT 1 1 3 871 1 1 1 CYS C C -6.417 3.263 5.389 1.00 . A A . 1 CYS C 1 1 3 872 1 1 1 CYS CA C -5.808 4.580 5.858 1.00 . A A . 1 CYS CA 1 1 3 873 1 1 1 CYS CB C -4.327 4.409 6.262 1.00 . A A . 1 CYS CB 1 1 3 874 1 1 1 CYS H1 H -6.530 4.427 7.761 1.00 . A A . 1 CYS H1 1 1 3 875 1 1 1 CYS H2 H -7.561 5.213 6.698 1.00 . A A . 1 CYS H2 1 1 3 876 1 1 1 CYS H3 H -6.189 6.018 7.293 1.00 . A A . 1 CYS H3 1 1 3 877 1 1 1 CYS HA H -5.872 5.291 5.047 1.00 . A A . 1 CYS HA 1 1 3 878 1 1 1 CYS HB2 H -3.799 3.911 5.463 1.00 . A A . 1 CYS HB2 1 1 3 879 1 1 1 CYS HB3 H -3.894 5.387 6.412 1.00 . A A . 1 CYS HB3 1 1 3 880 1 1 1 CYS N N -6.566 5.106 6.976 1.00 . A A . 1 CYS N 1 1 3 881 1 1 1 CYS O O -7.280 2.685 6.077 1.00 . A A . 1 CYS O 1 1 3 882 1 1 1 CYS SG S -4.047 3.439 7.788 1.00 . A A . 1 CYS SG 1 1 3 883 1 1 2 ALA C C -5.520 0.469 4.093 1.00 . A A . 2 ALA C 1 1 3 884 1 1 2 ALA CA C -6.471 1.565 3.675 1.00 . A A . 2 ALA CA 1 1 3 885 1 1 2 ALA CB C -6.560 1.652 2.164 1.00 . A A . 2 ALA CB 1 1 3 886 1 1 2 ALA H H -5.365 3.332 3.695 1.00 . A A . 2 ALA H 1 1 3 887 1 1 2 ALA HA H -7.450 1.354 4.076 1.00 . A A . 2 ALA HA 1 1 3 888 1 1 2 ALA HB1 H -7.240 2.443 1.891 1.00 . A A . 2 ALA HB1 1 1 3 889 1 1 2 ALA HB2 H -6.920 0.715 1.767 1.00 . A A . 2 ALA HB2 1 1 3 890 1 1 2 ALA HB3 H -5.582 1.863 1.757 1.00 . A A . 2 ALA HB3 1 1 3 891 1 1 2 ALA N N -6.014 2.812 4.223 1.00 . A A . 2 ALA N 1 1 3 892 1 1 2 ALA O O -4.296 0.648 4.052 1.00 . A A . 2 ALA O 1 1 3 893 1 1 3 VAL C C -4.861 -2.665 3.853 1.00 . A A . 3 VAL C 1 1 3 894 1 1 3 VAL CA C -5.244 -1.728 4.989 1.00 . A A . 3 VAL CA 1 1 3 895 1 1 3 VAL CB C -5.944 -2.516 6.127 1.00 . A A . 3 VAL CB 1 1 3 896 1 1 3 VAL CG1 C -6.204 -1.620 7.328 1.00 . A A . 3 VAL CG1 1 1 3 897 1 1 3 VAL CG2 C -7.233 -3.156 5.638 1.00 . A A . 3 VAL CG2 1 1 3 898 1 1 3 VAL H H -7.037 -0.742 4.444 1.00 . A A . 3 VAL H 1 1 3 899 1 1 3 VAL HA H -4.336 -1.292 5.383 1.00 . A A . 3 VAL HA 1 1 3 900 1 1 3 VAL HB H -5.273 -3.299 6.444 1.00 . A A . 3 VAL HB 1 1 3 901 1 1 3 VAL HG11 H -6.694 -2.191 8.103 1.00 . A A . 3 VAL HG11 1 1 3 902 1 1 3 VAL HG12 H -6.837 -0.797 7.031 1.00 . A A . 3 VAL HG12 1 1 3 903 1 1 3 VAL HG13 H -5.267 -1.235 7.701 1.00 . A A . 3 VAL HG13 1 1 3 904 1 1 3 VAL HG21 H -7.741 -3.649 6.453 1.00 . A A . 3 VAL HG21 1 1 3 905 1 1 3 VAL HG22 H -6.993 -3.874 4.867 1.00 . A A . 3 VAL HG22 1 1 3 906 1 1 3 VAL HG23 H -7.871 -2.395 5.209 1.00 . A A . 3 VAL HG23 1 1 3 907 1 1 3 VAL N N -6.057 -0.637 4.503 1.00 . A A . 3 VAL N 1 1 3 908 1 1 3 VAL O O -5.182 -2.402 2.682 1.00 . A A . 3 VAL O 1 1 3 909 1 1 4 THR C C -4.893 -5.247 2.386 1.00 . A A . 4 THR C 1 1 3 910 1 1 4 THR CA C -3.720 -4.704 3.234 1.00 . A A . 4 THR CA 1 1 3 911 1 1 4 THR CB C -2.992 -5.855 3.960 1.00 . A A . 4 THR CB 1 1 3 912 1 1 4 THR CG2 C -2.256 -6.742 2.963 1.00 . A A . 4 THR CG2 1 1 3 913 1 1 4 THR H H -3.951 -3.896 5.134 1.00 . A A . 4 THR H 1 1 3 914 1 1 4 THR HA H -3.014 -4.215 2.578 1.00 . A A . 4 THR HA 1 1 3 915 1 1 4 THR HB H -3.711 -6.443 4.511 1.00 . A A . 4 THR HB 1 1 3 916 1 1 4 THR HG1 H -1.177 -5.716 4.742 1.00 . A A . 4 THR HG1 1 1 3 917 1 1 4 THR HG21 H -1.755 -7.542 3.487 1.00 . A A . 4 THR HG21 1 1 3 918 1 1 4 THR HG22 H -1.531 -6.149 2.426 1.00 . A A . 4 THR HG22 1 1 3 919 1 1 4 THR HG23 H -2.967 -7.157 2.262 1.00 . A A . 4 THR HG23 1 1 3 920 1 1 4 THR N N -4.176 -3.737 4.192 1.00 . A A . 4 THR N 1 1 3 921 1 1 4 THR O O -5.960 -5.614 2.923 1.00 . A A . 4 THR O 1 1 3 922 1 1 4 THR OG1 O -2.032 -5.289 4.884 1.00 . A A . 4 THR OG1 1 1 3 923 1 1 5 HIS C C -6.820 -4.730 -0.206 1.00 . A A . 5 HIS C 1 1 3 924 1 1 5 HIS CA C -5.661 -5.683 0.059 1.00 . A A . 5 HIS CA 1 1 3 925 1 1 5 HIS CB C -6.156 -7.126 0.299 1.00 . A A . 5 HIS CB 1 1 3 926 1 1 5 HIS CD2 C -4.427 -8.564 -0.978 1.00 . A A . 5 HIS CD2 1 1 3 927 1 1 5 HIS CE1 C -3.717 -9.799 0.645 1.00 . A A . 5 HIS CE1 1 1 3 928 1 1 5 HIS CG C -5.099 -8.178 0.130 1.00 . A A . 5 HIS CG 1 1 3 929 1 1 5 HIS H H -3.857 -4.813 0.748 1.00 . A A . 5 HIS H 1 1 3 930 1 1 5 HIS HA H -5.087 -5.684 -0.857 1.00 . A A . 5 HIS HA 1 1 3 931 1 1 5 HIS HB2 H -6.529 -7.200 1.311 1.00 . A A . 5 HIS HB2 1 1 3 932 1 1 5 HIS HB3 H -6.960 -7.339 -0.388 1.00 . A A . 5 HIS HB3 1 1 3 933 1 1 5 HIS HD1 H -4.939 -8.955 2.080 1.00 . A A . 5 HIS HD1 1 1 3 934 1 1 5 HIS HD2 H -4.551 -8.159 -1.971 1.00 . A A . 5 HIS HD2 1 1 3 935 1 1 5 HIS HE1 H -3.181 -10.538 1.222 1.00 . A A . 5 HIS HE1 1 1 3 936 1 1 5 HIS N N -4.702 -5.202 1.070 1.00 . A A . 5 HIS N 1 1 3 937 1 1 5 HIS ND1 N -4.636 -8.975 1.146 1.00 . A A . 5 HIS ND1 1 1 3 938 1 1 5 HIS NE2 N -3.549 -9.593 -0.649 1.00 . A A . 5 HIS NE2 1 1 3 939 1 1 5 HIS O O -7.644 -4.997 -1.075 1.00 . A A . 5 HIS O 1 1 3 940 1 1 6 GLU C C -7.489 -1.756 -0.913 1.00 . A A . 6 GLU C 1 1 3 941 1 1 6 GLU CA C -7.923 -2.644 0.228 1.00 . A A . 6 GLU CA 1 1 3 942 1 1 6 GLU CB C -8.271 -1.787 1.439 1.00 . A A . 6 GLU CB 1 1 3 943 1 1 6 GLU CD C -9.532 -1.545 3.549 1.00 . A A . 6 GLU CD 1 1 3 944 1 1 6 GLU CG C -8.942 -2.512 2.562 1.00 . A A . 6 GLU CG 1 1 3 945 1 1 6 GLU H H -6.233 -3.439 1.218 1.00 . A A . 6 GLU H 1 1 3 946 1 1 6 GLU HA H -8.799 -3.192 -0.084 1.00 . A A . 6 GLU HA 1 1 3 947 1 1 6 GLU HB2 H -7.356 -1.401 1.865 1.00 . A A . 6 GLU HB2 1 1 3 948 1 1 6 GLU HB3 H -8.904 -0.968 1.133 1.00 . A A . 6 GLU HB3 1 1 3 949 1 1 6 GLU HG2 H -9.728 -3.135 2.161 1.00 . A A . 6 GLU HG2 1 1 3 950 1 1 6 GLU HG3 H -8.216 -3.128 3.070 1.00 . A A . 6 GLU HG3 1 1 3 951 1 1 6 GLU N N -6.887 -3.621 0.508 1.00 . A A . 6 GLU N 1 1 3 952 1 1 6 GLU O O -6.297 -1.631 -1.171 1.00 . A A . 6 GLU O 1 1 3 953 1 1 6 GLU OE1 O -10.760 -1.542 3.720 1.00 . A A . 6 GLU OE1 1 1 3 954 1 1 6 GLU OE2 O -8.792 -0.733 4.139 1.00 . A A . 6 GLU OE2 1 1 3 955 1 1 7 LYS C C -7.500 0.997 -2.178 1.00 . A A . 7 LYS C 1 1 3 956 1 1 7 LYS CA C -8.151 -0.267 -2.701 1.00 . A A . 7 LYS CA 1 1 3 957 1 1 7 LYS CB C -9.412 0.057 -3.499 1.00 . A A . 7 LYS CB 1 1 3 958 1 1 7 LYS CD C -11.218 -0.748 -5.042 1.00 . A A . 7 LYS CD 1 1 3 959 1 1 7 LYS CE C -11.680 -1.879 -5.956 1.00 . A A . 7 LYS CE 1 1 3 960 1 1 7 LYS CG C -9.981 -1.135 -4.252 1.00 . A A . 7 LYS CG 1 1 3 961 1 1 7 LYS H H -9.380 -1.335 -1.357 1.00 . A A . 7 LYS H 1 1 3 962 1 1 7 LYS HA H -7.445 -0.769 -3.346 1.00 . A A . 7 LYS HA 1 1 3 963 1 1 7 LYS HB2 H -10.169 0.423 -2.822 1.00 . A A . 7 LYS HB2 1 1 3 964 1 1 7 LYS HB3 H -9.179 0.829 -4.217 1.00 . A A . 7 LYS HB3 1 1 3 965 1 1 7 LYS HD2 H -12.012 -0.507 -4.352 1.00 . A A . 7 LYS HD2 1 1 3 966 1 1 7 LYS HD3 H -10.989 0.120 -5.641 1.00 . A A . 7 LYS HD3 1 1 3 967 1 1 7 LYS HE2 H -11.819 -2.771 -5.362 1.00 . A A . 7 LYS HE2 1 1 3 968 1 1 7 LYS HE3 H -12.621 -1.598 -6.408 1.00 . A A . 7 LYS HE3 1 1 3 969 1 1 7 LYS HG2 H -9.232 -1.525 -4.923 1.00 . A A . 7 LYS HG2 1 1 3 970 1 1 7 LYS HG3 H -10.246 -1.900 -3.538 1.00 . A A . 7 LYS HG3 1 1 3 971 1 1 7 LYS HZ1 H -10.545 -1.324 -7.612 1.00 . A A . 7 LYS HZ1 1 1 3 972 1 1 7 LYS HZ2 H -11.038 -2.925 -7.655 1.00 . A A . 7 LYS HZ2 1 1 3 973 1 1 7 LYS HZ3 H -9.774 -2.462 -6.649 1.00 . A A . 7 LYS HZ3 1 1 3 974 1 1 7 LYS N N -8.445 -1.168 -1.603 1.00 . A A . 7 LYS N 1 1 3 975 1 1 7 LYS NZ N -10.698 -2.171 -7.026 1.00 . A A . 7 LYS NZ 1 1 3 976 1 1 7 LYS O O -7.880 1.511 -1.106 1.00 . A A . 7 LYS O 1 1 3 977 1 1 8 CYS C C -5.962 3.835 -3.346 1.00 . A A . 8 CYS C 1 1 3 978 1 1 8 CYS CA C -5.776 2.630 -2.460 1.00 . A A . 8 CYS CA 1 1 3 979 1 1 8 CYS CB C -4.305 2.246 -2.430 1.00 . A A . 8 CYS CB 1 1 3 980 1 1 8 CYS H H -6.338 1.110 -3.792 1.00 . A A . 8 CYS H 1 1 3 981 1 1 8 CYS HA H -6.075 2.872 -1.451 1.00 . A A . 8 CYS HA 1 1 3 982 1 1 8 CYS HB2 H -3.716 3.123 -2.202 1.00 . A A . 8 CYS HB2 1 1 3 983 1 1 8 CYS HB3 H -4.149 1.505 -1.660 1.00 . A A . 8 CYS HB3 1 1 3 984 1 1 8 CYS N N -6.551 1.501 -2.915 1.00 . A A . 8 CYS N 1 1 3 985 1 1 8 CYS O O -6.205 3.708 -4.556 1.00 . A A . 8 CYS O 1 1 3 986 1 1 8 CYS SG S -3.676 1.554 -4.005 1.00 . A A . 8 CYS SG 1 1 3 987 1 1 9 SER C C -4.530 6.663 -3.799 1.00 . A A . 9 SER C 1 1 3 988 1 1 9 SER CA C -5.962 6.217 -3.482 1.00 . A A . 9 SER CA 1 1 3 989 1 1 9 SER CB C -6.707 7.286 -2.665 1.00 . A A . 9 SER CB 1 1 3 990 1 1 9 SER H H -5.860 5.033 -1.762 1.00 . A A . 9 SER H 1 1 3 991 1 1 9 SER HA H -6.492 6.035 -4.404 1.00 . A A . 9 SER HA 1 1 3 992 1 1 9 SER HB2 H -7.670 6.899 -2.366 1.00 . A A . 9 SER HB2 1 1 3 993 1 1 9 SER HB3 H -6.129 7.519 -1.783 1.00 . A A . 9 SER HB3 1 1 3 994 1 1 9 SER HG H -6.083 8.980 -3.400 1.00 . A A . 9 SER HG 1 1 3 995 1 1 9 SER N N -5.905 4.995 -2.750 1.00 . A A . 9 SER N 1 1 3 996 1 1 9 SER O O -4.266 7.240 -4.851 1.00 . A A . 9 SER O 1 1 3 997 1 1 9 SER OG O -6.906 8.477 -3.412 1.00 . A A . 9 SER OG 1 1 3 998 1 1 10 ASP C C -1.404 5.835 -2.095 1.00 . A A . 10 ASP C 1 1 3 999 1 1 10 ASP CA C -2.216 6.707 -3.034 1.00 . A A . 10 ASP CA 1 1 3 1000 1 1 10 ASP CB C -1.960 8.205 -2.749 1.00 . A A . 10 ASP CB 1 1 3 1001 1 1 10 ASP CG C -2.269 8.631 -1.334 1.00 . A A . 10 ASP CG 1 1 3 1002 1 1 10 ASP H H -3.848 5.864 -2.080 1.00 . A A . 10 ASP H 1 1 3 1003 1 1 10 ASP HA H -1.928 6.476 -4.048 1.00 . A A . 10 ASP HA 1 1 3 1004 1 1 10 ASP HB2 H -0.914 8.401 -2.921 1.00 . A A . 10 ASP HB2 1 1 3 1005 1 1 10 ASP HB3 H -2.549 8.800 -3.431 1.00 . A A . 10 ASP HB3 1 1 3 1006 1 1 10 ASP N N -3.615 6.359 -2.893 1.00 . A A . 10 ASP N 1 1 3 1007 1 1 10 ASP O O -1.976 5.079 -1.315 1.00 . A A . 10 ASP O 1 1 3 1008 1 1 10 ASP OD1 O -3.419 9.035 -1.054 1.00 . A A . 10 ASP OD1 1 1 3 1009 1 1 10 ASP OD2 O -1.363 8.594 -0.487 1.00 . A A . 10 ASP OD2 1 1 3 1010 1 1 11 ASP C C 0.701 5.376 0.124 1.00 . A A . 11 ASP C 1 1 3 1011 1 1 11 ASP CA C 0.800 5.074 -1.362 1.00 . A A . 11 ASP CA 1 1 3 1012 1 1 11 ASP CB C 2.268 5.194 -1.822 1.00 . A A . 11 ASP CB 1 1 3 1013 1 1 11 ASP CG C 2.501 4.745 -3.255 1.00 . A A . 11 ASP CG 1 1 3 1014 1 1 11 ASP H H 0.285 6.613 -2.759 1.00 . A A . 11 ASP H 1 1 3 1015 1 1 11 ASP HA H 0.475 4.055 -1.517 1.00 . A A . 11 ASP HA 1 1 3 1016 1 1 11 ASP HB2 H 2.576 6.225 -1.738 1.00 . A A . 11 ASP HB2 1 1 3 1017 1 1 11 ASP HB3 H 2.885 4.593 -1.169 1.00 . A A . 11 ASP HB3 1 1 3 1018 1 1 11 ASP N N -0.093 5.938 -2.154 1.00 . A A . 11 ASP N 1 1 3 1019 1 1 11 ASP O O 0.724 4.471 0.969 1.00 . A A . 11 ASP O 1 1 3 1020 1 1 11 ASP OD1 O 2.670 5.610 -4.148 1.00 . A A . 11 ASP OD1 1 1 3 1021 1 1 11 ASP OD2 O 2.519 3.544 -3.522 1.00 . A A . 11 ASP OD2 1 1 3 1022 1 1 12 TYR C C -0.943 6.845 2.377 1.00 . A A . 12 TYR C 1 1 3 1023 1 1 12 TYR CA C 0.465 7.047 1.843 1.00 . A A . 12 TYR CA 1 1 3 1024 1 1 12 TYR CB C 0.885 8.504 1.985 1.00 . A A . 12 TYR CB 1 1 3 1025 1 1 12 TYR CD1 C 2.549 9.138 0.184 1.00 . A A . 12 TYR CD1 1 1 3 1026 1 1 12 TYR CD2 C 3.359 8.805 2.394 1.00 . A A . 12 TYR CD2 1 1 3 1027 1 1 12 TYR CE1 C 3.822 9.443 -0.243 1.00 . A A . 12 TYR CE1 1 1 3 1028 1 1 12 TYR CE2 C 4.639 9.107 1.973 1.00 . A A . 12 TYR CE2 1 1 3 1029 1 1 12 TYR CG C 2.293 8.814 1.511 1.00 . A A . 12 TYR CG 1 1 3 1030 1 1 12 TYR CZ C 4.863 9.425 0.654 1.00 . A A . 12 TYR CZ 1 1 3 1031 1 1 12 TYR H H 0.372 7.308 -0.242 1.00 . A A . 12 TYR H 1 1 3 1032 1 1 12 TYR HA H 1.144 6.421 2.403 1.00 . A A . 12 TYR HA 1 1 3 1033 1 1 12 TYR HB2 H 0.200 9.121 1.425 1.00 . A A . 12 TYR HB2 1 1 3 1034 1 1 12 TYR HB3 H 0.820 8.771 3.029 1.00 . A A . 12 TYR HB3 1 1 3 1035 1 1 12 TYR HD1 H 1.731 9.147 -0.520 1.00 . A A . 12 TYR HD1 1 1 3 1036 1 1 12 TYR HD2 H 3.177 8.551 3.428 1.00 . A A . 12 TYR HD2 1 1 3 1037 1 1 12 TYR HE1 H 3.998 9.693 -1.278 1.00 . A A . 12 TYR HE1 1 1 3 1038 1 1 12 TYR HE2 H 5.456 9.095 2.678 1.00 . A A . 12 TYR HE2 1 1 3 1039 1 1 12 TYR HH H 6.041 10.464 -0.407 1.00 . A A . 12 TYR HH 1 1 3 1040 1 1 12 TYR N N 0.523 6.628 0.453 1.00 . A A . 12 TYR N 1 1 3 1041 1 1 12 TYR O O -1.217 7.021 3.562 1.00 . A A . 12 TYR O 1 1 3 1042 1 1 12 TYR OH O 6.137 9.743 0.230 1.00 . A A . 12 TYR OH 1 1 3 1043 1 1 13 ASP C C -3.284 4.772 2.356 1.00 . A A . 13 ASP C 1 1 3 1044 1 1 13 ASP CA C -3.200 6.172 1.796 1.00 . A A . 13 ASP CA 1 1 3 1045 1 1 13 ASP CB C -4.061 6.335 0.544 1.00 . A A . 13 ASP CB 1 1 3 1046 1 1 13 ASP CG C -5.515 6.018 0.720 1.00 . A A . 13 ASP CG 1 1 3 1047 1 1 13 ASP H H -1.542 6.421 0.540 1.00 . A A . 13 ASP H 1 1 3 1048 1 1 13 ASP HA H -3.527 6.871 2.547 1.00 . A A . 13 ASP HA 1 1 3 1049 1 1 13 ASP HB2 H -3.989 7.356 0.202 1.00 . A A . 13 ASP HB2 1 1 3 1050 1 1 13 ASP HB3 H -3.659 5.690 -0.224 1.00 . A A . 13 ASP HB3 1 1 3 1051 1 1 13 ASP N N -1.825 6.475 1.478 1.00 . A A . 13 ASP N 1 1 3 1052 1 1 13 ASP O O -4.228 4.417 3.040 1.00 . A A . 13 ASP O 1 1 3 1053 1 1 13 ASP OD1 O -6.198 6.693 1.532 1.00 . A A . 13 ASP OD1 1 1 3 1054 1 1 13 ASP OD2 O -6.019 5.156 -0.018 1.00 . A A . 13 ASP OD2 1 1 3 1055 1 1 14 CYS C C -1.464 2.666 3.952 1.00 . A A . 14 CYS C 1 1 3 1056 1 1 14 CYS CA C -2.164 2.662 2.607 1.00 . A A . 14 CYS CA 1 1 3 1057 1 1 14 CYS CB C -1.408 1.797 1.630 1.00 . A A . 14 CYS CB 1 1 3 1058 1 1 14 CYS H H -1.532 4.348 1.540 1.00 . A A . 14 CYS H 1 1 3 1059 1 1 14 CYS HA H -3.163 2.269 2.724 1.00 . A A . 14 CYS HA 1 1 3 1060 1 1 14 CYS HB2 H -0.411 2.188 1.493 1.00 . A A . 14 CYS HB2 1 1 3 1061 1 1 14 CYS HB3 H -1.356 0.797 2.035 1.00 . A A . 14 CYS HB3 1 1 3 1062 1 1 14 CYS N N -2.261 4.002 2.097 1.00 . A A . 14 CYS N 1 1 3 1063 1 1 14 CYS O O -0.456 3.359 4.127 1.00 . A A . 14 CYS O 1 1 3 1064 1 1 14 CYS SG S -2.199 1.692 0.014 1.00 . A A . 14 CYS SG 1 1 3 1065 1 1 15 CYS C C -0.063 1.241 6.279 1.00 . A A . 15 CYS C 1 1 3 1066 1 1 15 CYS CA C -1.477 1.818 6.241 1.00 . A A . 15 CYS CA 1 1 3 1067 1 1 15 CYS CB C -2.398 0.947 7.104 1.00 . A A . 15 CYS CB 1 1 3 1068 1 1 15 CYS H H -2.792 1.367 4.658 1.00 . A A . 15 CYS H 1 1 3 1069 1 1 15 CYS HA H -1.466 2.811 6.660 1.00 . A A . 15 CYS HA 1 1 3 1070 1 1 15 CYS HB2 H -2.404 -0.051 6.693 1.00 . A A . 15 CYS HB2 1 1 3 1071 1 1 15 CYS HB3 H -2.009 0.915 8.111 1.00 . A A . 15 CYS HB3 1 1 3 1072 1 1 15 CYS N N -1.997 1.904 4.883 1.00 . A A . 15 CYS N 1 1 3 1073 1 1 15 CYS O O 0.317 0.398 5.439 1.00 . A A . 15 CYS O 1 1 3 1074 1 1 15 CYS SG S -4.138 1.505 7.188 1.00 . A A . 15 CYS SG 1 1 3 1075 1 1 16 GLY C C 2.980 1.518 6.315 1.00 . A A . 16 GLY C 1 1 3 1076 1 1 16 GLY CA C 2.043 1.215 7.449 1.00 . A A . 16 GLY CA 1 1 3 1077 1 1 16 GLY H H 0.382 2.452 7.787 1.00 . A A . 16 GLY H 1 1 3 1078 1 1 16 GLY HA2 H 2.433 1.663 8.351 1.00 . A A . 16 GLY HA2 1 1 3 1079 1 1 16 GLY HA3 H 1.992 0.146 7.586 1.00 . A A . 16 GLY HA3 1 1 3 1080 1 1 16 GLY N N 0.715 1.717 7.227 1.00 . A A . 16 GLY N 1 1 3 1081 1 1 16 GLY O O 3.017 2.642 5.805 1.00 . A A . 16 GLY O 1 1 3 1082 1 1 17 SER C C 4.152 0.175 3.513 1.00 . A A . 17 SER C 1 1 3 1083 1 1 17 SER CA C 4.676 0.691 4.853 1.00 . A A . 17 SER CA 1 1 3 1084 1 1 17 SER CB C 5.971 -0.007 5.271 1.00 . A A . 17 SER CB 1 1 3 1085 1 1 17 SER H H 3.583 -0.373 6.264 1.00 . A A . 17 SER H 1 1 3 1086 1 1 17 SER HA H 4.876 1.747 4.747 1.00 . A A . 17 SER HA 1 1 3 1087 1 1 17 SER HB2 H 6.642 -0.060 4.426 1.00 . A A . 17 SER HB2 1 1 3 1088 1 1 17 SER HB3 H 6.439 0.550 6.069 1.00 . A A . 17 SER HB3 1 1 3 1089 1 1 17 SER HG H 5.480 -1.275 6.671 1.00 . A A . 17 SER HG 1 1 3 1090 1 1 17 SER N N 3.701 0.529 5.888 1.00 . A A . 17 SER N 1 1 3 1091 1 1 17 SER O O 4.910 0.054 2.545 1.00 . A A . 17 SER O 1 1 3 1092 1 1 17 SER OG O 5.705 -1.330 5.732 1.00 . A A . 17 SER OG 1 1 3 1093 1 1 18 LEU C C 2.277 0.499 1.152 1.00 . A A . 18 LEU C 1 1 3 1094 1 1 18 LEU CA C 2.227 -0.578 2.223 1.00 . A A . 18 LEU CA 1 1 3 1095 1 1 18 LEU CB C 0.768 -0.972 2.444 1.00 . A A . 18 LEU CB 1 1 3 1096 1 1 18 LEU CD1 C -1.021 -2.323 3.509 1.00 . A A . 18 LEU CD1 1 1 3 1097 1 1 18 LEU CD2 C 1.201 -3.356 3.111 1.00 . A A . 18 LEU CD2 1 1 3 1098 1 1 18 LEU CG C 0.468 -2.076 3.452 1.00 . A A . 18 LEU CG 1 1 3 1099 1 1 18 LEU H H 2.290 0.023 4.255 1.00 . A A . 18 LEU H 1 1 3 1100 1 1 18 LEU HA H 2.775 -1.442 1.877 1.00 . A A . 18 LEU HA 1 1 3 1101 1 1 18 LEU HB2 H 0.256 -0.086 2.788 1.00 . A A . 18 LEU HB2 1 1 3 1102 1 1 18 LEU HB3 H 0.348 -1.258 1.490 1.00 . A A . 18 LEU HB3 1 1 3 1103 1 1 18 LEU HD11 H -1.370 -2.620 2.531 1.00 . A A . 18 LEU HD11 1 1 3 1104 1 1 18 LEU HD12 H -1.527 -1.420 3.815 1.00 . A A . 18 LEU HD12 1 1 3 1105 1 1 18 LEU HD13 H -1.229 -3.112 4.217 1.00 . A A . 18 LEU HD13 1 1 3 1106 1 1 18 LEU HD21 H 2.265 -3.194 3.187 1.00 . A A . 18 LEU HD21 1 1 3 1107 1 1 18 LEU HD22 H 0.958 -3.646 2.100 1.00 . A A . 18 LEU HD22 1 1 3 1108 1 1 18 LEU HD23 H 0.905 -4.142 3.790 1.00 . A A . 18 LEU HD23 1 1 3 1109 1 1 18 LEU HG H 0.785 -1.744 4.430 1.00 . A A . 18 LEU HG 1 1 3 1110 1 1 18 LEU N N 2.845 -0.100 3.453 1.00 . A A . 18 LEU N 1 1 3 1111 1 1 18 LEU O O 2.324 1.705 1.465 1.00 . A A . 18 LEU O 1 1 3 1112 1 1 19 CYS C C 0.993 0.739 -2.022 1.00 . A A . 19 CYS C 1 1 3 1113 1 1 19 CYS CA C 2.254 0.945 -1.215 1.00 . A A . 19 CYS CA 1 1 3 1114 1 1 19 CYS CB C 3.485 0.631 -2.077 1.00 . A A . 19 CYS CB 1 1 3 1115 1 1 19 CYS H H 2.106 -0.884 -0.278 1.00 . A A . 19 CYS H 1 1 3 1116 1 1 19 CYS HA H 2.308 1.967 -0.870 1.00 . A A . 19 CYS HA 1 1 3 1117 1 1 19 CYS HB2 H 3.444 -0.403 -2.385 1.00 . A A . 19 CYS HB2 1 1 3 1118 1 1 19 CYS HB3 H 3.468 1.262 -2.952 1.00 . A A . 19 CYS HB3 1 1 3 1119 1 1 19 CYS N N 2.209 0.072 -0.077 1.00 . A A . 19 CYS N 1 1 3 1120 1 1 19 CYS O O 0.231 -0.215 -1.766 1.00 . A A . 19 CYS O 1 1 3 1121 1 1 19 CYS SG S 5.077 0.890 -1.233 1.00 . A A . 19 CYS SG 1 1 3 1122 1 1 20 CYS C C -0.111 0.872 -5.085 1.00 . A A . 20 CYS C 1 1 3 1123 1 1 20 CYS CA C -0.428 1.528 -3.751 1.00 . A A . 20 CYS CA 1 1 3 1124 1 1 20 CYS CB C -0.970 2.941 -3.959 1.00 . A A . 20 CYS CB 1 1 3 1125 1 1 20 CYS H H 1.414 2.312 -3.160 1.00 . A A . 20 CYS H 1 1 3 1126 1 1 20 CYS HA H -1.166 0.945 -3.222 1.00 . A A . 20 CYS HA 1 1 3 1127 1 1 20 CYS HB2 H -1.093 3.414 -2.995 1.00 . A A . 20 CYS HB2 1 1 3 1128 1 1 20 CYS HB3 H -0.252 3.506 -4.534 1.00 . A A . 20 CYS HB3 1 1 3 1129 1 1 20 CYS N N 0.758 1.599 -2.963 1.00 . A A . 20 CYS N 1 1 3 1130 1 1 20 CYS O O 0.698 1.378 -5.864 1.00 . A A . 20 CYS O 1 1 3 1131 1 1 20 CYS SG S -2.574 3.052 -4.812 1.00 . A A . 20 CYS SG 1 1 3 1132 1 1 21 VAL C C -1.945 -1.501 -6.988 1.00 . A A . 21 VAL C 1 1 3 1133 1 1 21 VAL CA C -0.567 -1.015 -6.562 1.00 . A A . 21 VAL CA 1 1 3 1134 1 1 21 VAL CB C 0.432 -2.226 -6.394 1.00 . A A . 21 VAL CB 1 1 3 1135 1 1 21 VAL CG1 C 1.861 -1.732 -6.223 1.00 . A A . 21 VAL CG1 1 1 3 1136 1 1 21 VAL CG2 C 0.053 -3.111 -5.203 1.00 . A A . 21 VAL CG2 1 1 3 1137 1 1 21 VAL H H -1.313 -0.634 -4.630 1.00 . A A . 21 VAL H 1 1 3 1138 1 1 21 VAL HA H -0.192 -0.332 -7.312 1.00 . A A . 21 VAL HA 1 1 3 1139 1 1 21 VAL HB H 0.387 -2.820 -7.294 1.00 . A A . 21 VAL HB 1 1 3 1140 1 1 21 VAL HG11 H 1.922 -1.105 -5.345 1.00 . A A . 21 VAL HG11 1 1 3 1141 1 1 21 VAL HG12 H 2.154 -1.159 -7.091 1.00 . A A . 21 VAL HG12 1 1 3 1142 1 1 21 VAL HG13 H 2.525 -2.576 -6.108 1.00 . A A . 21 VAL HG13 1 1 3 1143 1 1 21 VAL HG21 H 0.078 -2.523 -4.297 1.00 . A A . 21 VAL HG21 1 1 3 1144 1 1 21 VAL HG22 H 0.756 -3.928 -5.123 1.00 . A A . 21 VAL HG22 1 1 3 1145 1 1 21 VAL HG23 H -0.942 -3.504 -5.349 1.00 . A A . 21 VAL HG23 1 1 3 1146 1 1 21 VAL N N -0.722 -0.259 -5.323 1.00 . A A . 21 VAL N 1 1 3 1147 1 1 21 VAL O O -2.160 -2.672 -7.323 1.00 . A A . 21 VAL O 1 1 3 1148 1 1 22 GLY C C -4.916 -1.109 -5.827 1.00 . A A . 22 GLY C 1 1 3 1149 1 1 22 GLY CA C -4.277 -0.891 -7.167 1.00 . A A . 22 GLY CA 1 1 3 1150 1 1 22 GLY H H -2.631 0.351 -6.772 1.00 . A A . 22 GLY H 1 1 3 1151 1 1 22 GLY HA2 H -4.761 -0.077 -7.686 1.00 . A A . 22 GLY HA2 1 1 3 1152 1 1 22 GLY HA3 H -4.361 -1.800 -7.744 1.00 . A A . 22 GLY HA3 1 1 3 1153 1 1 22 GLY N N -2.884 -0.580 -6.949 1.00 . A A . 22 GLY N 1 1 3 1154 1 1 22 GLY O O -5.937 -0.489 -5.466 1.00 . A A . 22 GLY O 1 1 3 1155 1 1 23 ILE C C -3.421 -1.973 -2.864 1.00 . A A . 23 ILE C 1 1 3 1156 1 1 23 ILE CA C -4.635 -2.241 -3.729 1.00 . A A . 23 ILE CA 1 1 3 1157 1 1 23 ILE CB C -5.096 -3.708 -3.534 1.00 . A A . 23 ILE CB 1 1 3 1158 1 1 23 ILE CD1 C -4.341 -6.144 -3.793 1.00 . A A . 23 ILE CD1 1 1 3 1159 1 1 23 ILE CG1 C -4.019 -4.690 -4.042 1.00 . A A . 23 ILE CG1 1 1 3 1160 1 1 23 ILE CG2 C -6.438 -3.943 -4.222 1.00 . A A . 23 ILE CG2 1 1 3 1161 1 1 23 ILE H H -3.506 -2.413 -5.465 1.00 . A A . 23 ILE H 1 1 3 1162 1 1 23 ILE HA H -5.431 -1.573 -3.438 1.00 . A A . 23 ILE HA 1 1 3 1163 1 1 23 ILE HB H -5.241 -3.865 -2.475 1.00 . A A . 23 ILE HB 1 1 3 1164 1 1 23 ILE HD11 H -3.541 -6.764 -4.172 1.00 . A A . 23 ILE HD11 1 1 3 1165 1 1 23 ILE HD12 H -5.266 -6.399 -4.288 1.00 . A A . 23 ILE HD12 1 1 3 1166 1 1 23 ILE HD13 H -4.444 -6.301 -2.731 1.00 . A A . 23 ILE HD13 1 1 3 1167 1 1 23 ILE HG12 H -3.898 -4.560 -5.106 1.00 . A A . 23 ILE HG12 1 1 3 1168 1 1 23 ILE HG13 H -3.082 -4.465 -3.552 1.00 . A A . 23 ILE HG13 1 1 3 1169 1 1 23 ILE HG21 H -6.341 -3.743 -5.279 1.00 . A A . 23 ILE HG21 1 1 3 1170 1 1 23 ILE HG22 H -7.183 -3.286 -3.797 1.00 . A A . 23 ILE HG22 1 1 3 1171 1 1 23 ILE HG23 H -6.741 -4.970 -4.076 1.00 . A A . 23 ILE HG23 1 1 3 1172 1 1 23 ILE N N -4.283 -1.958 -5.078 1.00 . A A . 23 ILE N 1 1 3 1173 1 1 23 ILE O O -2.309 -1.790 -3.386 1.00 . A A . 23 ILE O 1 1 3 1174 1 1 24 CYS C C -1.778 -2.961 -0.388 1.00 . A A . 24 CYS C 1 1 3 1175 1 1 24 CYS CA C -2.558 -1.694 -0.658 1.00 . A A . 24 CYS CA 1 1 3 1176 1 1 24 CYS CB C -3.097 -1.104 0.625 1.00 . A A . 24 CYS CB 1 1 3 1177 1 1 24 CYS H H -4.549 -1.983 -1.261 1.00 . A A . 24 CYS H 1 1 3 1178 1 1 24 CYS HA H -1.888 -0.973 -1.104 1.00 . A A . 24 CYS HA 1 1 3 1179 1 1 24 CYS HB2 H -3.856 -1.760 1.027 1.00 . A A . 24 CYS HB2 1 1 3 1180 1 1 24 CYS HB3 H -2.292 -1.013 1.338 1.00 . A A . 24 CYS HB3 1 1 3 1181 1 1 24 CYS N N -3.625 -1.914 -1.592 1.00 . A A . 24 CYS N 1 1 3 1182 1 1 24 CYS O O -2.307 -3.935 0.182 1.00 . A A . 24 CYS O 1 1 3 1183 1 1 24 CYS SG S -3.821 0.537 0.392 1.00 . A A . 24 CYS SG 1 1 3 1184 1 1 25 ALA C C 1.775 -3.446 -0.656 1.00 . A A . 25 ALA C 1 1 3 1185 1 1 25 ALA CA C 0.382 -4.034 -0.638 1.00 . A A . 25 ALA CA 1 1 3 1186 1 1 25 ALA CB C 0.228 -5.061 -1.754 1.00 . A A . 25 ALA CB 1 1 3 1187 1 1 25 ALA H H -0.216 -2.160 -1.315 1.00 . A A . 25 ALA H 1 1 3 1188 1 1 25 ALA HA H 0.186 -4.503 0.315 1.00 . A A . 25 ALA HA 1 1 3 1189 1 1 25 ALA HB1 H 0.398 -4.583 -2.707 1.00 . A A . 25 ALA HB1 1 1 3 1190 1 1 25 ALA HB2 H -0.771 -5.471 -1.731 1.00 . A A . 25 ALA HB2 1 1 3 1191 1 1 25 ALA HB3 H 0.947 -5.855 -1.616 1.00 . A A . 25 ALA HB3 1 1 3 1192 1 1 25 ALA N N -0.544 -2.951 -0.826 1.00 . A A . 25 ALA N 1 1 3 1193 1 1 25 ALA O O 2.022 -2.482 -1.373 1.00 . A A . 25 ALA O 1 1 3 1194 1 1 26 LYS C C 4.809 -4.136 -0.935 1.00 . A A . 26 LYS C 1 1 3 1195 1 1 26 LYS CA C 4.013 -3.464 0.157 1.00 . A A . 26 LYS CA 1 1 3 1196 1 1 26 LYS CB C 4.663 -3.612 1.541 1.00 . A A . 26 LYS CB 1 1 3 1197 1 1 26 LYS CD C 6.584 -2.990 3.058 1.00 . A A . 26 LYS CD 1 1 3 1198 1 1 26 LYS CE C 6.305 -4.204 3.927 1.00 . A A . 26 LYS CE 1 1 3 1199 1 1 26 LYS CG C 6.129 -3.183 1.616 1.00 . A A . 26 LYS CG 1 1 3 1200 1 1 26 LYS H H 2.419 -4.698 0.748 1.00 . A A . 26 LYS H 1 1 3 1201 1 1 26 LYS HA H 3.952 -2.415 -0.093 1.00 . A A . 26 LYS HA 1 1 3 1202 1 1 26 LYS HB2 H 4.112 -3.020 2.256 1.00 . A A . 26 LYS HB2 1 1 3 1203 1 1 26 LYS HB3 H 4.605 -4.651 1.830 1.00 . A A . 26 LYS HB3 1 1 3 1204 1 1 26 LYS HD2 H 7.647 -2.800 3.066 1.00 . A A . 26 LYS HD2 1 1 3 1205 1 1 26 LYS HD3 H 6.068 -2.136 3.471 1.00 . A A . 26 LYS HD3 1 1 3 1206 1 1 26 LYS HE2 H 5.254 -4.442 3.867 1.00 . A A . 26 LYS HE2 1 1 3 1207 1 1 26 LYS HE3 H 6.884 -5.039 3.561 1.00 . A A . 26 LYS HE3 1 1 3 1208 1 1 26 LYS HG2 H 6.742 -3.942 1.153 1.00 . A A . 26 LYS HG2 1 1 3 1209 1 1 26 LYS HG3 H 6.247 -2.252 1.080 1.00 . A A . 26 LYS HG3 1 1 3 1210 1 1 26 LYS HZ1 H 6.365 -4.756 5.939 1.00 . A A . 26 LYS HZ1 1 1 3 1211 1 1 26 LYS HZ2 H 6.178 -3.099 5.700 1.00 . A A . 26 LYS HZ2 1 1 3 1212 1 1 26 LYS HZ3 H 7.675 -3.814 5.461 1.00 . A A . 26 LYS HZ3 1 1 3 1213 1 1 26 LYS N N 2.660 -3.959 0.147 1.00 . A A . 26 LYS N 1 1 3 1214 1 1 26 LYS NZ N 6.653 -3.955 5.339 1.00 . A A . 26 LYS NZ 1 1 3 1215 1 1 26 LYS O O 4.719 -5.357 -1.139 1.00 . A A . 26 LYS O 1 1 3 1216 1 1 27 THR C C 7.657 -4.348 -2.358 1.00 . A A . 27 THR C 1 1 3 1217 1 1 27 THR CA C 6.301 -3.765 -2.772 1.00 . A A . 27 THR CA 1 1 3 1218 1 1 27 THR CB C 6.506 -2.551 -3.667 1.00 . A A . 27 THR CB 1 1 3 1219 1 1 27 THR CG2 C 5.243 -2.232 -4.455 1.00 . A A . 27 THR CG2 1 1 3 1220 1 1 27 THR H H 5.598 -2.383 -1.455 1.00 . A A . 27 THR H 1 1 3 1221 1 1 27 THR HA H 5.735 -4.491 -3.331 1.00 . A A . 27 THR HA 1 1 3 1222 1 1 27 THR HB H 7.321 -2.751 -4.346 1.00 . A A . 27 THR HB 1 1 3 1223 1 1 27 THR HG1 H 7.722 -1.102 -3.059 1.00 . A A . 27 THR HG1 1 1 3 1224 1 1 27 THR HG21 H 4.984 -3.071 -5.083 1.00 . A A . 27 THR HG21 1 1 3 1225 1 1 27 THR HG22 H 5.409 -1.360 -5.069 1.00 . A A . 27 THR HG22 1 1 3 1226 1 1 27 THR HG23 H 4.432 -2.037 -3.767 1.00 . A A . 27 THR HG23 1 1 3 1227 1 1 27 THR N N 5.536 -3.343 -1.652 1.00 . A A . 27 THR N 1 1 3 1228 1 1 27 THR O O 8.010 -4.375 -1.152 1.00 . A A . 27 THR O 1 1 3 1229 1 1 27 THR OG1 O 6.845 -1.437 -2.827 1.00 . A A . 27 THR OG1 1 1 3 1230 1 1 28 ILE C C 10.649 -4.228 -2.715 1.00 . A A . 28 ILE C 1 1 3 1231 1 1 28 ILE CA C 9.726 -5.364 -3.140 1.00 . A A . 28 ILE CA 1 1 3 1232 1 1 28 ILE CB C 10.265 -6.021 -4.439 1.00 . A A . 28 ILE CB 1 1 3 1233 1 1 28 ILE CD1 C 9.704 -7.777 -6.230 1.00 . A A . 28 ILE CD1 1 1 3 1234 1 1 28 ILE CG1 C 9.308 -7.130 -4.915 1.00 . A A . 28 ILE CG1 1 1 3 1235 1 1 28 ILE CG2 C 11.665 -6.582 -4.207 1.00 . A A . 28 ILE CG2 1 1 3 1236 1 1 28 ILE H H 8.035 -4.827 -4.259 1.00 . A A . 28 ILE H 1 1 3 1237 1 1 28 ILE HA H 9.680 -6.104 -2.354 1.00 . A A . 28 ILE HA 1 1 3 1238 1 1 28 ILE HB H 10.328 -5.261 -5.203 1.00 . A A . 28 ILE HB 1 1 3 1239 1 1 28 ILE HD11 H 8.983 -8.539 -6.487 1.00 . A A . 28 ILE HD11 1 1 3 1240 1 1 28 ILE HD12 H 10.682 -8.223 -6.130 1.00 . A A . 28 ILE HD12 1 1 3 1241 1 1 28 ILE HD13 H 9.728 -7.027 -7.007 1.00 . A A . 28 ILE HD13 1 1 3 1242 1 1 28 ILE HG12 H 9.277 -7.910 -4.170 1.00 . A A . 28 ILE HG12 1 1 3 1243 1 1 28 ILE HG13 H 8.317 -6.717 -5.030 1.00 . A A . 28 ILE HG13 1 1 3 1244 1 1 28 ILE HG21 H 12.018 -7.055 -5.111 1.00 . A A . 28 ILE HG21 1 1 3 1245 1 1 28 ILE HG22 H 11.633 -7.305 -3.406 1.00 . A A . 28 ILE HG22 1 1 3 1246 1 1 28 ILE HG23 H 12.331 -5.777 -3.938 1.00 . A A . 28 ILE HG23 1 1 3 1247 1 1 28 ILE N N 8.397 -4.828 -3.347 1.00 . A A . 28 ILE N 1 1 3 1248 1 1 28 ILE O O 11.378 -4.331 -1.731 1.00 . A A . 28 ILE O 1 1 3 1249 1 1 29 ALA C C 10.387 -0.959 -2.499 1.00 . A A . 29 ALA C 1 1 3 1250 1 1 29 ALA CA C 11.338 -1.969 -3.123 1.00 . A A . 29 ALA CA 1 1 3 1251 1 1 29 ALA CB C 12.005 -1.395 -4.354 1.00 . A A . 29 ALA CB 1 1 3 1252 1 1 29 ALA H H 10.030 -3.126 -4.254 1.00 . A A . 29 ALA H 1 1 3 1253 1 1 29 ALA HA H 12.096 -2.247 -2.405 1.00 . A A . 29 ALA HA 1 1 3 1254 1 1 29 ALA HB1 H 12.649 -2.139 -4.797 1.00 . A A . 29 ALA HB1 1 1 3 1255 1 1 29 ALA HB2 H 12.593 -0.538 -4.064 1.00 . A A . 29 ALA HB2 1 1 3 1256 1 1 29 ALA HB3 H 11.255 -1.089 -5.069 1.00 . A A . 29 ALA HB3 1 1 3 1257 1 1 29 ALA N N 10.595 -3.147 -3.452 1.00 . A A . 29 ALA N 1 1 3 1258 1 1 29 ALA O O 9.416 -0.534 -3.154 1.00 . A A . 29 ALA O 1 1 3 1259 1 1 30 PRO C C 9.544 1.656 -1.192 1.00 . A A . 30 PRO C 1 1 3 1260 1 1 30 PRO CA C 9.766 0.329 -0.466 1.00 . A A . 30 PRO CA 1 1 3 1261 1 1 30 PRO CB C 10.571 0.577 0.810 1.00 . A A . 30 PRO CB 1 1 3 1262 1 1 30 PRO CD C 11.698 -1.155 -0.378 1.00 . A A . 30 PRO CD 1 1 3 1263 1 1 30 PRO CG C 11.362 -0.660 0.998 1.00 . A A . 30 PRO CG 1 1 3 1264 1 1 30 PRO HA H 8.815 -0.110 -0.207 1.00 . A A . 30 PRO HA 1 1 3 1265 1 1 30 PRO HB2 H 11.207 1.440 0.673 1.00 . A A . 30 PRO HB2 1 1 3 1266 1 1 30 PRO HB3 H 9.900 0.746 1.637 1.00 . A A . 30 PRO HB3 1 1 3 1267 1 1 30 PRO HD2 H 12.654 -0.776 -0.702 1.00 . A A . 30 PRO HD2 1 1 3 1268 1 1 30 PRO HD3 H 11.695 -2.234 -0.396 1.00 . A A . 30 PRO HD3 1 1 3 1269 1 1 30 PRO HG2 H 12.263 -0.442 1.554 1.00 . A A . 30 PRO HG2 1 1 3 1270 1 1 30 PRO HG3 H 10.764 -1.390 1.521 1.00 . A A . 30 PRO HG3 1 1 3 1271 1 1 30 PRO N N 10.607 -0.618 -1.219 1.00 . A A . 30 PRO N 1 1 3 1272 1 1 30 PRO O O 10.476 2.229 -1.792 1.00 . A A . 30 PRO O 1 1 3 1273 1 1 31 CYS C C 7.933 4.449 -0.641 1.00 . A A . 31 CYS C 1 1 3 1274 1 1 31 CYS CA C 7.973 3.397 -1.748 1.00 . A A . 31 CYS CA 1 1 3 1275 1 1 31 CYS CB C 6.595 3.283 -2.400 1.00 . A A . 31 CYS CB 1 1 3 1276 1 1 31 CYS H H 7.620 1.602 -0.713 1.00 . A A . 31 CYS H 1 1 3 1277 1 1 31 CYS HA H 8.710 3.659 -2.492 1.00 . A A . 31 CYS HA 1 1 3 1278 1 1 31 CYS HB2 H 6.352 4.211 -2.892 1.00 . A A . 31 CYS HB2 1 1 3 1279 1 1 31 CYS HB3 H 6.621 2.486 -3.128 1.00 . A A . 31 CYS HB3 1 1 3 1280 1 1 31 CYS N N 8.329 2.123 -1.155 1.00 . A A . 31 CYS N 1 1 3 1281 1 1 31 CYS O O 7.983 5.668 -0.882 1.00 . A A . 31 CYS O 1 1 3 1282 1 1 31 CYS SG S 5.249 2.908 -1.218 1.00 . A A . 31 CYS SG 1 1 3 1283 1 1 32 LYS C C 8.815 4.253 2.703 1.00 . A A . 32 LYS C 1 1 3 1284 1 1 32 LYS CA C 7.760 4.735 1.757 1.00 . A A . 32 LYS CA 1 1 3 1285 1 1 32 LYS CB C 6.361 4.567 2.361 1.00 . A A . 32 LYS CB 1 1 3 1286 1 1 32 LYS CD C 3.909 4.503 1.778 1.00 . A A . 32 LYS CD 1 1 3 1287 1 1 32 LYS CE C 3.434 4.708 3.197 1.00 . A A . 32 LYS CE 1 1 3 1288 1 1 32 LYS CG C 5.254 5.143 1.490 1.00 . A A . 32 LYS CG 1 1 3 1289 1 1 32 LYS H H 7.897 2.982 0.677 1.00 . A A . 32 LYS H 1 1 3 1290 1 1 32 LYS HA H 7.927 5.773 1.517 1.00 . A A . 32 LYS HA 1 1 3 1291 1 1 32 LYS HB2 H 6.169 3.515 2.509 1.00 . A A . 32 LYS HB2 1 1 3 1292 1 1 32 LYS HB3 H 6.335 5.066 3.318 1.00 . A A . 32 LYS HB3 1 1 3 1293 1 1 32 LYS HD2 H 3.169 4.920 1.113 1.00 . A A . 32 LYS HD2 1 1 3 1294 1 1 32 LYS HD3 H 3.992 3.441 1.593 1.00 . A A . 32 LYS HD3 1 1 3 1295 1 1 32 LYS HE2 H 4.172 4.306 3.877 1.00 . A A . 32 LYS HE2 1 1 3 1296 1 1 32 LYS HE3 H 3.309 5.766 3.378 1.00 . A A . 32 LYS HE3 1 1 3 1297 1 1 32 LYS HG2 H 5.179 6.204 1.674 1.00 . A A . 32 LYS HG2 1 1 3 1298 1 1 32 LYS HG3 H 5.509 4.976 0.453 1.00 . A A . 32 LYS HG3 1 1 3 1299 1 1 32 LYS HZ1 H 1.820 4.148 4.399 1.00 . A A . 32 LYS HZ1 1 1 3 1300 1 1 32 LYS HZ2 H 2.239 3.006 3.223 1.00 . A A . 32 LYS HZ2 1 1 3 1301 1 1 32 LYS HZ3 H 1.406 4.379 2.777 1.00 . A A . 32 LYS HZ3 1 1 3 1302 1 1 32 LYS N N 7.862 3.955 0.567 1.00 . A A . 32 LYS N 1 1 3 1303 1 1 32 LYS NZ N 2.145 4.023 3.417 1.00 . A A . 32 LYS NZ 1 1 3 1304 1 1 32 LYS O O 9.863 4.931 2.822 1.00 . A A . 32 LYS O 1 1 3 1305 1 1 32 LYS OXT O 8.657 3.154 3.267 1.00 . A A . 32 LYS OXT 1 1 4 1306 1 1 1 CYS C C -6.035 3.307 5.378 1.00 . A A . 1 CYS C 1 1 4 1307 1 1 1 CYS CA C -5.405 4.632 5.774 1.00 . A A . 1 CYS CA 1 1 4 1308 1 1 1 CYS CB C -3.964 4.426 6.277 1.00 . A A . 1 CYS CB 1 1 4 1309 1 1 1 CYS H1 H -6.241 4.663 7.627 1.00 . A A . 1 CYS H1 1 1 4 1310 1 1 1 CYS H2 H -7.179 5.393 6.440 1.00 . A A . 1 CYS H2 1 1 4 1311 1 1 1 CYS H3 H -5.808 6.201 7.064 1.00 . A A . 1 CYS H3 1 1 4 1312 1 1 1 CYS HA H -5.385 5.268 4.902 1.00 . A A . 1 CYS HA 1 1 4 1313 1 1 1 CYS HB2 H -3.399 3.907 5.517 1.00 . A A . 1 CYS HB2 1 1 4 1314 1 1 1 CYS HB3 H -3.513 5.391 6.446 1.00 . A A . 1 CYS HB3 1 1 4 1315 1 1 1 CYS N N -6.209 5.282 6.793 1.00 . A A . 1 CYS N 1 1 4 1316 1 1 1 CYS O O -6.765 2.693 6.170 1.00 . A A . 1 CYS O 1 1 4 1317 1 1 1 CYS SG S -3.802 3.459 7.825 1.00 . A A . 1 CYS SG 1 1 4 1318 1 1 2 ALA C C -5.347 0.510 4.074 1.00 . A A . 2 ALA C 1 1 4 1319 1 1 2 ALA CA C -6.301 1.626 3.678 1.00 . A A . 2 ALA CA 1 1 4 1320 1 1 2 ALA CB C -6.495 1.682 2.173 1.00 . A A . 2 ALA CB 1 1 4 1321 1 1 2 ALA H H -5.228 3.425 3.563 1.00 . A A . 2 ALA H 1 1 4 1322 1 1 2 ALA HA H -7.256 1.453 4.151 1.00 . A A . 2 ALA HA 1 1 4 1323 1 1 2 ALA HB1 H -5.542 1.848 1.694 1.00 . A A . 2 ALA HB1 1 1 4 1324 1 1 2 ALA HB2 H -7.166 2.492 1.926 1.00 . A A . 2 ALA HB2 1 1 4 1325 1 1 2 ALA HB3 H -6.915 0.750 1.825 1.00 . A A . 2 ALA HB3 1 1 4 1326 1 1 2 ALA N N -5.789 2.880 4.163 1.00 . A A . 2 ALA N 1 1 4 1327 1 1 2 ALA O O -4.115 0.684 4.033 1.00 . A A . 2 ALA O 1 1 4 1328 1 1 3 VAL C C -4.803 -2.688 3.809 1.00 . A A . 3 VAL C 1 1 4 1329 1 1 3 VAL CA C -5.088 -1.712 4.943 1.00 . A A . 3 VAL CA 1 1 4 1330 1 1 3 VAL CB C -5.739 -2.454 6.144 1.00 . A A . 3 VAL CB 1 1 4 1331 1 1 3 VAL CG1 C -5.921 -1.514 7.318 1.00 . A A . 3 VAL CG1 1 1 4 1332 1 1 3 VAL CG2 C -7.061 -3.098 5.757 1.00 . A A . 3 VAL CG2 1 1 4 1333 1 1 3 VAL H H -6.874 -0.690 4.449 1.00 . A A . 3 VAL H 1 1 4 1334 1 1 3 VAL HA H -4.144 -1.301 5.267 1.00 . A A . 3 VAL HA 1 1 4 1335 1 1 3 VAL HB H -5.056 -3.230 6.454 1.00 . A A . 3 VAL HB 1 1 4 1336 1 1 3 VAL HG11 H -6.523 -0.672 7.011 1.00 . A A . 3 VAL HG11 1 1 4 1337 1 1 3 VAL HG12 H -4.957 -1.163 7.658 1.00 . A A . 3 VAL HG12 1 1 4 1338 1 1 3 VAL HG13 H -6.420 -2.035 8.119 1.00 . A A . 3 VAL HG13 1 1 4 1339 1 1 3 VAL HG21 H -6.885 -3.851 5.003 1.00 . A A . 3 VAL HG21 1 1 4 1340 1 1 3 VAL HG22 H -7.707 -2.340 5.338 1.00 . A A . 3 VAL HG22 1 1 4 1341 1 1 3 VAL HG23 H -7.527 -3.543 6.623 1.00 . A A . 3 VAL HG23 1 1 4 1342 1 1 3 VAL N N -5.891 -0.601 4.483 1.00 . A A . 3 VAL N 1 1 4 1343 1 1 3 VAL O O -5.148 -2.425 2.648 1.00 . A A . 3 VAL O 1 1 4 1344 1 1 4 THR C C -5.010 -5.299 2.400 1.00 . A A . 4 THR C 1 1 4 1345 1 1 4 THR CA C -3.785 -4.804 3.193 1.00 . A A . 4 THR CA 1 1 4 1346 1 1 4 THR CB C -3.131 -5.993 3.923 1.00 . A A . 4 THR CB 1 1 4 1347 1 1 4 THR CG2 C -2.492 -6.934 2.922 1.00 . A A . 4 THR CG2 1 1 4 1348 1 1 4 THR H H -3.913 -3.933 5.081 1.00 . A A . 4 THR H 1 1 4 1349 1 1 4 THR HA H -3.061 -4.384 2.509 1.00 . A A . 4 THR HA 1 1 4 1350 1 1 4 THR HB H -3.887 -6.525 4.483 1.00 . A A . 4 THR HB 1 1 4 1351 1 1 4 THR HG1 H -2.491 -5.516 5.711 1.00 . A A . 4 THR HG1 1 1 4 1352 1 1 4 THR HG21 H -3.252 -7.313 2.254 1.00 . A A . 4 THR HG21 1 1 4 1353 1 1 4 THR HG22 H -2.010 -7.751 3.437 1.00 . A A . 4 THR HG22 1 1 4 1354 1 1 4 THR HG23 H -1.764 -6.379 2.348 1.00 . A A . 4 THR HG23 1 1 4 1355 1 1 4 THR N N -4.156 -3.787 4.144 1.00 . A A . 4 THR N 1 1 4 1356 1 1 4 THR O O -6.041 -5.650 2.990 1.00 . A A . 4 THR O 1 1 4 1357 1 1 4 THR OG1 O -2.111 -5.504 4.823 1.00 . A A . 4 THR OG1 1 1 4 1358 1 1 5 HIS C C -7.071 -4.721 -0.059 1.00 . A A . 5 HIS C 1 1 4 1359 1 1 5 HIS CA C -5.923 -5.714 0.123 1.00 . A A . 5 HIS CA 1 1 4 1360 1 1 5 HIS CB C -6.439 -7.152 0.407 1.00 . A A . 5 HIS CB 1 1 4 1361 1 1 5 HIS CD2 C -4.639 -8.599 -0.783 1.00 . A A . 5 HIS CD2 1 1 4 1362 1 1 5 HIS CE1 C -4.069 -9.886 0.863 1.00 . A A . 5 HIS CE1 1 1 4 1363 1 1 5 HIS CG C -5.384 -8.223 0.286 1.00 . A A . 5 HIS CG 1 1 4 1364 1 1 5 HIS H H -4.064 -4.876 0.702 1.00 . A A . 5 HIS H 1 1 4 1365 1 1 5 HIS HA H -5.410 -5.728 -0.827 1.00 . A A . 5 HIS HA 1 1 4 1366 1 1 5 HIS HB2 H -6.830 -7.191 1.413 1.00 . A A . 5 HIS HB2 1 1 4 1367 1 1 5 HIS HB3 H -7.232 -7.381 -0.288 1.00 . A A . 5 HIS HB3 1 1 4 1368 1 1 5 HIS HD1 H -5.365 -9.062 2.233 1.00 . A A . 5 HIS HD1 1 1 4 1369 1 1 5 HIS HD2 H -4.677 -8.163 -1.769 1.00 . A A . 5 HIS HD2 1 1 4 1370 1 1 5 HIS HE1 H -3.589 -10.649 1.457 1.00 . A A . 5 HIS HE1 1 1 4 1371 1 1 5 HIS N N -4.892 -5.254 1.074 1.00 . A A . 5 HIS N 1 1 4 1372 1 1 5 HIS ND1 N -5.006 -9.056 1.318 1.00 . A A . 5 HIS ND1 1 1 4 1373 1 1 5 HIS NE2 N -3.805 -9.655 -0.411 1.00 . A A . 5 HIS NE2 1 1 4 1374 1 1 5 HIS O O -7.990 -4.966 -0.848 1.00 . A A . 5 HIS O 1 1 4 1375 1 1 6 GLU C C -7.531 -1.726 -0.735 1.00 . A A . 6 GLU C 1 1 4 1376 1 1 6 GLU CA C -8.007 -2.568 0.417 1.00 . A A . 6 GLU CA 1 1 4 1377 1 1 6 GLU CB C -8.264 -1.690 1.639 1.00 . A A . 6 GLU CB 1 1 4 1378 1 1 6 GLU CD C -9.446 -1.394 3.802 1.00 . A A . 6 GLU CD 1 1 4 1379 1 1 6 GLU CG C -8.944 -2.383 2.786 1.00 . A A . 6 GLU CG 1 1 4 1380 1 1 6 GLU H H -6.345 -3.470 1.340 1.00 . A A . 6 GLU H 1 1 4 1381 1 1 6 GLU HA H -8.925 -3.051 0.116 1.00 . A A . 6 GLU HA 1 1 4 1382 1 1 6 GLU HB2 H -7.313 -1.351 2.023 1.00 . A A . 6 GLU HB2 1 1 4 1383 1 1 6 GLU HB3 H -8.861 -0.838 1.350 1.00 . A A . 6 GLU HB3 1 1 4 1384 1 1 6 GLU HG2 H -9.781 -2.951 2.407 1.00 . A A . 6 GLU HG2 1 1 4 1385 1 1 6 GLU HG3 H -8.241 -3.049 3.265 1.00 . A A . 6 GLU HG3 1 1 4 1386 1 1 6 GLU N N -7.036 -3.608 0.655 1.00 . A A . 6 GLU N 1 1 4 1387 1 1 6 GLU O O -6.329 -1.688 -1.020 1.00 . A A . 6 GLU O 1 1 4 1388 1 1 6 GLU OE1 O -10.672 -1.281 3.971 1.00 . A A . 6 GLU OE1 1 1 4 1389 1 1 6 GLU OE2 O -8.641 -0.662 4.420 1.00 . A A . 6 GLU OE2 1 1 4 1390 1 1 7 LYS C C -7.442 1.009 -2.105 1.00 . A A . 7 LYS C 1 1 4 1391 1 1 7 LYS CA C -8.110 -0.273 -2.541 1.00 . A A . 7 LYS CA 1 1 4 1392 1 1 7 LYS CB C -9.344 -0.020 -3.395 1.00 . A A . 7 LYS CB 1 1 4 1393 1 1 7 LYS CD C -11.163 -1.060 -4.784 1.00 . A A . 7 LYS CD 1 1 4 1394 1 1 7 LYS CE C -11.745 -2.365 -5.317 1.00 . A A . 7 LYS CE 1 1 4 1395 1 1 7 LYS CG C -9.955 -1.310 -3.912 1.00 . A A . 7 LYS CG 1 1 4 1396 1 1 7 LYS H H -9.372 -1.112 -1.088 1.00 . A A . 7 LYS H 1 1 4 1397 1 1 7 LYS HA H -7.397 -0.838 -3.122 1.00 . A A . 7 LYS HA 1 1 4 1398 1 1 7 LYS HB2 H -10.082 0.502 -2.802 1.00 . A A . 7 LYS HB2 1 1 4 1399 1 1 7 LYS HB3 H -9.070 0.590 -4.243 1.00 . A A . 7 LYS HB3 1 1 4 1400 1 1 7 LYS HD2 H -11.917 -0.551 -4.202 1.00 . A A . 7 LYS HD2 1 1 4 1401 1 1 7 LYS HD3 H -10.868 -0.441 -5.618 1.00 . A A . 7 LYS HD3 1 1 4 1402 1 1 7 LYS HE2 H -12.036 -2.984 -4.480 1.00 . A A . 7 LYS HE2 1 1 4 1403 1 1 7 LYS HE3 H -12.619 -2.136 -5.908 1.00 . A A . 7 LYS HE3 1 1 4 1404 1 1 7 LYS HG2 H -9.214 -1.848 -4.483 1.00 . A A . 7 LYS HG2 1 1 4 1405 1 1 7 LYS HG3 H -10.246 -1.912 -3.065 1.00 . A A . 7 LYS HG3 1 1 4 1406 1 1 7 LYS HZ1 H -10.434 -2.543 -6.942 1.00 . A A . 7 LYS HZ1 1 1 4 1407 1 1 7 LYS HZ2 H -11.244 -3.967 -6.541 1.00 . A A . 7 LYS HZ2 1 1 4 1408 1 1 7 LYS HZ3 H -9.969 -3.451 -5.585 1.00 . A A . 7 LYS HZ3 1 1 4 1409 1 1 7 LYS N N -8.442 -1.076 -1.398 1.00 . A A . 7 LYS N 1 1 4 1410 1 1 7 LYS NZ N -10.778 -3.122 -6.150 1.00 . A A . 7 LYS NZ 1 1 4 1411 1 1 7 LYS O O -7.809 1.599 -1.081 1.00 . A A . 7 LYS O 1 1 4 1412 1 1 8 CYS C C -5.859 3.722 -3.436 1.00 . A A . 8 CYS C 1 1 4 1413 1 1 8 CYS CA C -5.690 2.571 -2.484 1.00 . A A . 8 CYS CA 1 1 4 1414 1 1 8 CYS CB C -4.232 2.157 -2.447 1.00 . A A . 8 CYS CB 1 1 4 1415 1 1 8 CYS H H -6.299 1.012 -3.729 1.00 . A A . 8 CYS H 1 1 4 1416 1 1 8 CYS HA H -5.974 2.875 -1.488 1.00 . A A . 8 CYS HA 1 1 4 1417 1 1 8 CYS HB2 H -3.623 3.024 -2.239 1.00 . A A . 8 CYS HB2 1 1 4 1418 1 1 8 CYS HB3 H -4.091 1.427 -1.663 1.00 . A A . 8 CYS HB3 1 1 4 1419 1 1 8 CYS N N -6.491 1.447 -2.870 1.00 . A A . 8 CYS N 1 1 4 1420 1 1 8 CYS O O -6.030 3.530 -4.654 1.00 . A A . 8 CYS O 1 1 4 1421 1 1 8 CYS SG S -3.636 1.420 -4.005 1.00 . A A . 8 CYS SG 1 1 4 1422 1 1 9 SER C C -4.513 6.658 -3.898 1.00 . A A . 9 SER C 1 1 4 1423 1 1 9 SER CA C -5.922 6.103 -3.671 1.00 . A A . 9 SER CA 1 1 4 1424 1 1 9 SER CB C -6.791 7.117 -2.938 1.00 . A A . 9 SER CB 1 1 4 1425 1 1 9 SER H H -5.771 4.982 -1.905 1.00 . A A . 9 SER H 1 1 4 1426 1 1 9 SER HA H -6.377 5.863 -4.621 1.00 . A A . 9 SER HA 1 1 4 1427 1 1 9 SER HB2 H -6.288 7.438 -2.037 1.00 . A A . 9 SER HB2 1 1 4 1428 1 1 9 SER HB3 H -6.973 7.969 -3.577 1.00 . A A . 9 SER HB3 1 1 4 1429 1 1 9 SER HG H -7.848 5.801 -1.986 1.00 . A A . 9 SER HG 1 1 4 1430 1 1 9 SER N N -5.837 4.905 -2.890 1.00 . A A . 9 SER N 1 1 4 1431 1 1 9 SER O O -4.278 7.430 -4.823 1.00 . A A . 9 SER O 1 1 4 1432 1 1 9 SER OG O -8.039 6.532 -2.586 1.00 . A A . 9 SER OG 1 1 4 1433 1 1 10 ASP C C -1.350 5.736 -2.260 1.00 . A A . 10 ASP C 1 1 4 1434 1 1 10 ASP CA C -2.184 6.662 -3.126 1.00 . A A . 10 ASP CA 1 1 4 1435 1 1 10 ASP CB C -2.028 8.130 -2.655 1.00 . A A . 10 ASP CB 1 1 4 1436 1 1 10 ASP CG C -0.598 8.628 -2.713 1.00 . A A . 10 ASP CG 1 1 4 1437 1 1 10 ASP H H -3.806 5.578 -2.359 1.00 . A A . 10 ASP H 1 1 4 1438 1 1 10 ASP HA H -1.855 6.572 -4.151 1.00 . A A . 10 ASP HA 1 1 4 1439 1 1 10 ASP HB2 H -2.632 8.770 -3.280 1.00 . A A . 10 ASP HB2 1 1 4 1440 1 1 10 ASP HB3 H -2.371 8.198 -1.634 1.00 . A A . 10 ASP HB3 1 1 4 1441 1 1 10 ASP N N -3.578 6.231 -3.058 1.00 . A A . 10 ASP N 1 1 4 1442 1 1 10 ASP O O -1.899 4.979 -1.469 1.00 . A A . 10 ASP O 1 1 4 1443 1 1 10 ASP OD1 O 0.027 8.799 -1.648 1.00 . A A . 10 ASP OD1 1 1 4 1444 1 1 10 ASP OD2 O -0.057 8.791 -3.820 1.00 . A A . 10 ASP OD2 1 1 4 1445 1 1 11 ASP C C 0.851 5.304 -0.197 1.00 . A A . 11 ASP C 1 1 4 1446 1 1 11 ASP CA C 0.870 4.945 -1.654 1.00 . A A . 11 ASP CA 1 1 4 1447 1 1 11 ASP CB C 2.289 5.084 -2.189 1.00 . A A . 11 ASP CB 1 1 4 1448 1 1 11 ASP CG C 2.417 4.620 -3.604 1.00 . A A . 11 ASP CG 1 1 4 1449 1 1 11 ASP H H 0.310 6.434 -3.053 1.00 . A A . 11 ASP H 1 1 4 1450 1 1 11 ASP HA H 0.559 3.918 -1.768 1.00 . A A . 11 ASP HA 1 1 4 1451 1 1 11 ASP HB2 H 2.583 6.123 -2.144 1.00 . A A . 11 ASP HB2 1 1 4 1452 1 1 11 ASP HB3 H 2.957 4.500 -1.573 1.00 . A A . 11 ASP HB3 1 1 4 1453 1 1 11 ASP N N -0.052 5.789 -2.409 1.00 . A A . 11 ASP N 1 1 4 1454 1 1 11 ASP O O 0.829 4.441 0.672 1.00 . A A . 11 ASP O 1 1 4 1455 1 1 11 ASP OD1 O 2.371 5.467 -4.525 1.00 . A A . 11 ASP OD1 1 1 4 1456 1 1 11 ASP OD2 O 2.538 3.413 -3.829 1.00 . A A . 11 ASP OD2 1 1 4 1457 1 1 12 TYR C C -0.602 7.020 2.053 1.00 . A A . 12 TYR C 1 1 4 1458 1 1 12 TYR CA C 0.798 7.058 1.450 1.00 . A A . 12 TYR CA 1 1 4 1459 1 1 12 TYR CB C 1.438 8.444 1.540 1.00 . A A . 12 TYR CB 1 1 4 1460 1 1 12 TYR CD1 C 3.911 8.146 1.961 1.00 . A A . 12 TYR CD1 1 1 4 1461 1 1 12 TYR CD2 C 3.222 8.769 -0.229 1.00 . A A . 12 TYR CD2 1 1 4 1462 1 1 12 TYR CE1 C 5.228 8.144 1.549 1.00 . A A . 12 TYR CE1 1 1 4 1463 1 1 12 TYR CE2 C 4.536 8.771 -0.648 1.00 . A A . 12 TYR CE2 1 1 4 1464 1 1 12 TYR CG C 2.886 8.457 1.083 1.00 . A A . 12 TYR CG 1 1 4 1465 1 1 12 TYR CZ C 5.534 8.455 0.245 1.00 . A A . 12 TYR CZ 1 1 4 1466 1 1 12 TYR H H 0.701 7.250 -0.646 1.00 . A A . 12 TYR H 1 1 4 1467 1 1 12 TYR HA H 1.406 6.357 2.002 1.00 . A A . 12 TYR HA 1 1 4 1468 1 1 12 TYR HB2 H 0.888 9.130 0.913 1.00 . A A . 12 TYR HB2 1 1 4 1469 1 1 12 TYR HB3 H 1.407 8.787 2.563 1.00 . A A . 12 TYR HB3 1 1 4 1470 1 1 12 TYR HD1 H 3.670 7.899 2.984 1.00 . A A . 12 TYR HD1 1 1 4 1471 1 1 12 TYR HD2 H 2.435 9.014 -0.925 1.00 . A A . 12 TYR HD2 1 1 4 1472 1 1 12 TYR HE1 H 6.012 7.898 2.249 1.00 . A A . 12 TYR HE1 1 1 4 1473 1 1 12 TYR HE2 H 4.776 9.015 -1.673 1.00 . A A . 12 TYR HE2 1 1 4 1474 1 1 12 TYR HH H 7.228 7.576 -0.022 1.00 . A A . 12 TYR HH 1 1 4 1475 1 1 12 TYR N N 0.781 6.587 0.081 1.00 . A A . 12 TYR N 1 1 4 1476 1 1 12 TYR O O -0.820 7.393 3.209 1.00 . A A . 12 TYR O 1 1 4 1477 1 1 12 TYR OH O 6.852 8.459 -0.169 1.00 . A A . 12 TYR OH 1 1 4 1478 1 1 13 ASP C C -3.063 4.940 2.285 1.00 . A A . 13 ASP C 1 1 4 1479 1 1 13 ASP CA C -2.915 6.321 1.643 1.00 . A A . 13 ASP CA 1 1 4 1480 1 1 13 ASP CB C -3.797 6.474 0.383 1.00 . A A . 13 ASP CB 1 1 4 1481 1 1 13 ASP CG C -5.240 6.049 0.531 1.00 . A A . 13 ASP CG 1 1 4 1482 1 1 13 ASP H H -1.258 6.257 0.354 1.00 . A A . 13 ASP H 1 1 4 1483 1 1 13 ASP HA H -3.183 7.078 2.364 1.00 . A A . 13 ASP HA 1 1 4 1484 1 1 13 ASP HB2 H -3.799 7.512 0.090 1.00 . A A . 13 ASP HB2 1 1 4 1485 1 1 13 ASP HB3 H -3.351 5.897 -0.414 1.00 . A A . 13 ASP HB3 1 1 4 1486 1 1 13 ASP N N -1.525 6.522 1.261 1.00 . A A . 13 ASP N 1 1 4 1487 1 1 13 ASP O O -4.025 4.659 2.988 1.00 . A A . 13 ASP O 1 1 4 1488 1 1 13 ASP OD1 O -5.977 6.662 1.316 1.00 . A A . 13 ASP OD1 1 1 4 1489 1 1 13 ASP OD2 O -5.680 5.151 -0.212 1.00 . A A . 13 ASP OD2 1 1 4 1490 1 1 14 CYS C C -1.338 2.783 3.995 1.00 . A A . 14 CYS C 1 1 4 1491 1 1 14 CYS CA C -2.050 2.777 2.647 1.00 . A A . 14 CYS CA 1 1 4 1492 1 1 14 CYS CB C -1.352 1.829 1.693 1.00 . A A . 14 CYS CB 1 1 4 1493 1 1 14 CYS H H -1.304 4.390 1.539 1.00 . A A . 14 CYS H 1 1 4 1494 1 1 14 CYS HA H -3.070 2.451 2.783 1.00 . A A . 14 CYS HA 1 1 4 1495 1 1 14 CYS HB2 H -0.331 2.149 1.546 1.00 . A A . 14 CYS HB2 1 1 4 1496 1 1 14 CYS HB3 H -1.360 0.840 2.125 1.00 . A A . 14 CYS HB3 1 1 4 1497 1 1 14 CYS N N -2.069 4.109 2.085 1.00 . A A . 14 CYS N 1 1 4 1498 1 1 14 CYS O O -0.433 3.586 4.216 1.00 . A A . 14 CYS O 1 1 4 1499 1 1 14 CYS SG S -2.146 1.725 0.073 1.00 . A A . 14 CYS SG 1 1 4 1500 1 1 15 CYS C C 0.203 1.147 6.205 1.00 . A A . 15 CYS C 1 1 4 1501 1 1 15 CYS CA C -1.188 1.814 6.236 1.00 . A A . 15 CYS CA 1 1 4 1502 1 1 15 CYS CB C -2.109 0.979 7.138 1.00 . A A . 15 CYS CB 1 1 4 1503 1 1 15 CYS H H -2.511 1.319 4.649 1.00 . A A . 15 CYS H 1 1 4 1504 1 1 15 CYS HA H -1.110 2.808 6.647 1.00 . A A . 15 CYS HA 1 1 4 1505 1 1 15 CYS HB2 H -2.113 -0.039 6.776 1.00 . A A . 15 CYS HB2 1 1 4 1506 1 1 15 CYS HB3 H -1.717 0.987 8.144 1.00 . A A . 15 CYS HB3 1 1 4 1507 1 1 15 CYS N N -1.764 1.915 4.890 1.00 . A A . 15 CYS N 1 1 4 1508 1 1 15 CYS O O 0.576 0.522 5.209 1.00 . A A . 15 CYS O 1 1 4 1509 1 1 15 CYS SG S -3.853 1.525 7.209 1.00 . A A . 15 CYS SG 1 1 4 1510 1 1 16 GLY C C 3.242 0.948 6.349 1.00 . A A . 16 GLY C 1 1 4 1511 1 1 16 GLY CA C 2.247 0.652 7.448 1.00 . A A . 16 GLY CA 1 1 4 1512 1 1 16 GLY H H 0.675 1.961 7.968 1.00 . A A . 16 GLY H 1 1 4 1513 1 1 16 GLY HA2 H 2.680 0.963 8.387 1.00 . A A . 16 GLY HA2 1 1 4 1514 1 1 16 GLY HA3 H 2.073 -0.414 7.483 1.00 . A A . 16 GLY HA3 1 1 4 1515 1 1 16 GLY N N 0.967 1.326 7.278 1.00 . A A . 16 GLY N 1 1 4 1516 1 1 16 GLY O O 3.467 2.111 5.995 1.00 . A A . 16 GLY O 1 1 4 1517 1 1 17 SER C C 4.175 -0.344 3.399 1.00 . A A . 17 SER C 1 1 4 1518 1 1 17 SER CA C 4.794 0.026 4.746 1.00 . A A . 17 SER CA 1 1 4 1519 1 1 17 SER CB C 5.983 -0.880 5.079 1.00 . A A . 17 SER CB 1 1 4 1520 1 1 17 SER H H 3.597 -0.997 6.108 1.00 . A A . 17 SER H 1 1 4 1521 1 1 17 SER HA H 5.137 1.050 4.712 1.00 . A A . 17 SER HA 1 1 4 1522 1 1 17 SER HB2 H 6.620 -0.968 4.212 1.00 . A A . 17 SER HB2 1 1 4 1523 1 1 17 SER HB3 H 6.543 -0.454 5.898 1.00 . A A . 17 SER HB3 1 1 4 1524 1 1 17 SER HG H 6.330 -2.692 5.686 1.00 . A A . 17 SER HG 1 1 4 1525 1 1 17 SER N N 3.816 -0.090 5.804 1.00 . A A . 17 SER N 1 1 4 1526 1 1 17 SER O O 4.879 -0.577 2.419 1.00 . A A . 17 SER O 1 1 4 1527 1 1 17 SER OG O 5.538 -2.185 5.457 1.00 . A A . 17 SER OG 1 1 4 1528 1 1 18 LEU C C 2.178 0.384 1.148 1.00 . A A . 18 LEU C 1 1 4 1529 1 1 18 LEU CA C 2.137 -0.740 2.156 1.00 . A A . 18 LEU CA 1 1 4 1530 1 1 18 LEU CB C 0.684 -1.064 2.473 1.00 . A A . 18 LEU CB 1 1 4 1531 1 1 18 LEU CD1 C -1.050 -2.326 3.722 1.00 . A A . 18 LEU CD1 1 1 4 1532 1 1 18 LEU CD2 C 1.054 -3.458 3.061 1.00 . A A . 18 LEU CD2 1 1 4 1533 1 1 18 LEU CG C 0.433 -2.156 3.499 1.00 . A A . 18 LEU CG 1 1 4 1534 1 1 18 LEU H H 2.338 -0.120 4.154 1.00 . A A . 18 LEU H 1 1 4 1535 1 1 18 LEU HA H 2.602 -1.616 1.732 1.00 . A A . 18 LEU HA 1 1 4 1536 1 1 18 LEU HB2 H 0.232 -0.158 2.850 1.00 . A A . 18 LEU HB2 1 1 4 1537 1 1 18 LEU HB3 H 0.189 -1.339 1.554 1.00 . A A . 18 LEU HB3 1 1 4 1538 1 1 18 LEU HD11 H -1.527 -2.585 2.787 1.00 . A A . 18 LEU HD11 1 1 4 1539 1 1 18 LEU HD12 H -1.470 -1.404 4.098 1.00 . A A . 18 LEU HD12 1 1 4 1540 1 1 18 LEU HD13 H -1.217 -3.117 4.437 1.00 . A A . 18 LEU HD13 1 1 4 1541 1 1 18 LEU HD21 H 0.623 -3.769 2.121 1.00 . A A . 18 LEU HD21 1 1 4 1542 1 1 18 LEU HD22 H 0.860 -4.203 3.816 1.00 . A A . 18 LEU HD22 1 1 4 1543 1 1 18 LEU HD23 H 2.120 -3.332 2.949 1.00 . A A . 18 LEU HD23 1 1 4 1544 1 1 18 LEU HG H 0.878 -1.862 4.439 1.00 . A A . 18 LEU HG 1 1 4 1545 1 1 18 LEU N N 2.853 -0.372 3.358 1.00 . A A . 18 LEU N 1 1 4 1546 1 1 18 LEU O O 2.208 1.566 1.517 1.00 . A A . 18 LEU O 1 1 4 1547 1 1 19 CYS C C 0.962 0.681 -2.048 1.00 . A A . 19 CYS C 1 1 4 1548 1 1 19 CYS CA C 2.171 0.937 -1.180 1.00 . A A . 19 CYS CA 1 1 4 1549 1 1 19 CYS CB C 3.464 0.809 -1.973 1.00 . A A . 19 CYS CB 1 1 4 1550 1 1 19 CYS H H 2.125 -0.940 -0.332 1.00 . A A . 19 CYS H 1 1 4 1551 1 1 19 CYS HA H 2.103 1.934 -0.768 1.00 . A A . 19 CYS HA 1 1 4 1552 1 1 19 CYS HB2 H 3.567 -0.205 -2.331 1.00 . A A . 19 CYS HB2 1 1 4 1553 1 1 19 CYS HB3 H 3.428 1.487 -2.812 1.00 . A A . 19 CYS HB3 1 1 4 1554 1 1 19 CYS N N 2.162 0.013 -0.094 1.00 . A A . 19 CYS N 1 1 4 1555 1 1 19 CYS O O 0.221 -0.297 -1.826 1.00 . A A . 19 CYS O 1 1 4 1556 1 1 19 CYS SG S 4.943 1.213 -0.998 1.00 . A A . 19 CYS SG 1 1 4 1557 1 1 20 CYS C C -0.113 0.781 -5.159 1.00 . A A . 20 CYS C 1 1 4 1558 1 1 20 CYS CA C -0.410 1.428 -3.822 1.00 . A A . 20 CYS CA 1 1 4 1559 1 1 20 CYS CB C -0.971 2.828 -4.024 1.00 . A A . 20 CYS CB 1 1 4 1560 1 1 20 CYS H H 1.428 2.204 -3.250 1.00 . A A . 20 CYS H 1 1 4 1561 1 1 20 CYS HA H -1.150 0.843 -3.295 1.00 . A A . 20 CYS HA 1 1 4 1562 1 1 20 CYS HB2 H -1.101 3.296 -3.060 1.00 . A A . 20 CYS HB2 1 1 4 1563 1 1 20 CYS HB3 H -0.263 3.404 -4.600 1.00 . A A . 20 CYS HB3 1 1 4 1564 1 1 20 CYS N N 0.761 1.509 -3.023 1.00 . A A . 20 CYS N 1 1 4 1565 1 1 20 CYS O O 0.725 1.268 -5.932 1.00 . A A . 20 CYS O 1 1 4 1566 1 1 20 CYS SG S -2.571 2.903 -4.872 1.00 . A A . 20 CYS SG 1 1 4 1567 1 1 21 VAL C C -2.113 -1.508 -6.927 1.00 . A A . 21 VAL C 1 1 4 1568 1 1 21 VAL CA C -0.699 -1.018 -6.681 1.00 . A A . 21 VAL CA 1 1 4 1569 1 1 21 VAL CB C 0.294 -2.242 -6.718 1.00 . A A . 21 VAL CB 1 1 4 1570 1 1 21 VAL CG1 C 0.418 -2.804 -8.130 1.00 . A A . 21 VAL CG1 1 1 4 1571 1 1 21 VAL CG2 C 1.674 -1.879 -6.178 1.00 . A A . 21 VAL CG2 1 1 4 1572 1 1 21 VAL H H -1.288 -0.744 -4.684 1.00 . A A . 21 VAL H 1 1 4 1573 1 1 21 VAL HA H -0.440 -0.291 -7.439 1.00 . A A . 21 VAL HA 1 1 4 1574 1 1 21 VAL HB H -0.128 -3.019 -6.096 1.00 . A A . 21 VAL HB 1 1 4 1575 1 1 21 VAL HG11 H -0.553 -3.134 -8.472 1.00 . A A . 21 VAL HG11 1 1 4 1576 1 1 21 VAL HG12 H 1.102 -3.640 -8.128 1.00 . A A . 21 VAL HG12 1 1 4 1577 1 1 21 VAL HG13 H 0.790 -2.036 -8.790 1.00 . A A . 21 VAL HG13 1 1 4 1578 1 1 21 VAL HG21 H 1.585 -1.547 -5.155 1.00 . A A . 21 VAL HG21 1 1 4 1579 1 1 21 VAL HG22 H 2.096 -1.087 -6.778 1.00 . A A . 21 VAL HG22 1 1 4 1580 1 1 21 VAL HG23 H 2.318 -2.745 -6.222 1.00 . A A . 21 VAL HG23 1 1 4 1581 1 1 21 VAL N N -0.747 -0.340 -5.402 1.00 . A A . 21 VAL N 1 1 4 1582 1 1 21 VAL O O -2.415 -2.701 -6.803 1.00 . A A . 21 VAL O 1 1 4 1583 1 1 22 GLY C C -5.053 -1.047 -5.854 1.00 . A A . 22 GLY C 1 1 4 1584 1 1 22 GLY CA C -4.434 -0.861 -7.234 1.00 . A A . 22 GLY CA 1 1 4 1585 1 1 22 GLY H H -2.707 0.373 -7.136 1.00 . A A . 22 GLY H 1 1 4 1586 1 1 22 GLY HA2 H -4.928 -0.049 -7.748 1.00 . A A . 22 GLY HA2 1 1 4 1587 1 1 22 GLY HA3 H -4.557 -1.775 -7.797 1.00 . A A . 22 GLY HA3 1 1 4 1588 1 1 22 GLY N N -3.014 -0.560 -7.106 1.00 . A A . 22 GLY N 1 1 4 1589 1 1 22 GLY O O -6.079 -0.438 -5.506 1.00 . A A . 22 GLY O 1 1 4 1590 1 1 23 ILE C C -3.491 -1.967 -2.883 1.00 . A A . 23 ILE C 1 1 4 1591 1 1 23 ILE CA C -4.748 -2.148 -3.717 1.00 . A A . 23 ILE CA 1 1 4 1592 1 1 23 ILE CB C -5.292 -3.590 -3.523 1.00 . A A . 23 ILE CB 1 1 4 1593 1 1 23 ILE CD1 C -4.702 -6.068 -3.832 1.00 . A A . 23 ILE CD1 1 1 4 1594 1 1 23 ILE CG1 C -4.274 -4.631 -4.025 1.00 . A A . 23 ILE CG1 1 1 4 1595 1 1 23 ILE CG2 C -6.634 -3.753 -4.223 1.00 . A A . 23 ILE CG2 1 1 4 1596 1 1 23 ILE H H -3.626 -2.332 -5.455 1.00 . A A . 23 ILE H 1 1 4 1597 1 1 23 ILE HA H -5.491 -1.433 -3.396 1.00 . A A . 23 ILE HA 1 1 4 1598 1 1 23 ILE HB H -5.453 -3.741 -2.466 1.00 . A A . 23 ILE HB 1 1 4 1599 1 1 23 ILE HD11 H -3.942 -6.727 -4.222 1.00 . A A . 23 ILE HD11 1 1 4 1600 1 1 23 ILE HD12 H -5.631 -6.238 -4.357 1.00 . A A . 23 ILE HD12 1 1 4 1601 1 1 23 ILE HD13 H -4.843 -6.263 -2.780 1.00 . A A . 23 ILE HD13 1 1 4 1602 1 1 23 ILE HG12 H -4.110 -4.479 -5.081 1.00 . A A . 23 ILE HG12 1 1 4 1603 1 1 23 ILE HG13 H -3.340 -4.486 -3.501 1.00 . A A . 23 ILE HG13 1 1 4 1604 1 1 23 ILE HG21 H -7.352 -3.069 -3.794 1.00 . A A . 23 ILE HG21 1 1 4 1605 1 1 23 ILE HG22 H -6.981 -4.769 -4.096 1.00 . A A . 23 ILE HG22 1 1 4 1606 1 1 23 ILE HG23 H -6.518 -3.542 -5.275 1.00 . A A . 23 ILE HG23 1 1 4 1607 1 1 23 ILE N N -4.411 -1.877 -5.080 1.00 . A A . 23 ILE N 1 1 4 1608 1 1 23 ILE O O -2.373 -1.897 -3.440 1.00 . A A . 23 ILE O 1 1 4 1609 1 1 24 CYS C C -1.827 -3.011 -0.451 1.00 . A A . 24 CYS C 1 1 4 1610 1 1 24 CYS CA C -2.546 -1.706 -0.695 1.00 . A A . 24 CYS CA 1 1 4 1611 1 1 24 CYS CB C -3.015 -1.112 0.615 1.00 . A A . 24 CYS CB 1 1 4 1612 1 1 24 CYS H H -4.572 -1.883 -1.237 1.00 . A A . 24 CYS H 1 1 4 1613 1 1 24 CYS HA H -1.856 -1.013 -1.152 1.00 . A A . 24 CYS HA 1 1 4 1614 1 1 24 CYS HB2 H -3.738 -1.776 1.064 1.00 . A A . 24 CYS HB2 1 1 4 1615 1 1 24 CYS HB3 H -2.167 -1.022 1.277 1.00 . A A . 24 CYS HB3 1 1 4 1616 1 1 24 CYS N N -3.656 -1.870 -1.601 1.00 . A A . 24 CYS N 1 1 4 1617 1 1 24 CYS O O -2.421 -3.992 0.042 1.00 . A A . 24 CYS O 1 1 4 1618 1 1 24 CYS SG S -3.751 0.534 0.426 1.00 . A A . 24 CYS SG 1 1 4 1619 1 1 25 ALA C C 1.724 -3.624 -0.589 1.00 . A A . 25 ALA C 1 1 4 1620 1 1 25 ALA CA C 0.312 -4.153 -0.641 1.00 . A A . 25 ALA CA 1 1 4 1621 1 1 25 ALA CB C 0.170 -5.130 -1.794 1.00 . A A . 25 ALA CB 1 1 4 1622 1 1 25 ALA H H -0.189 -2.224 -1.255 1.00 . A A . 25 ALA H 1 1 4 1623 1 1 25 ALA HA H 0.062 -4.648 0.286 1.00 . A A . 25 ALA HA 1 1 4 1624 1 1 25 ALA HB1 H -0.847 -5.490 -1.831 1.00 . A A . 25 ALA HB1 1 1 4 1625 1 1 25 ALA HB2 H 0.842 -5.961 -1.646 1.00 . A A . 25 ALA HB2 1 1 4 1626 1 1 25 ALA HB3 H 0.410 -4.630 -2.720 1.00 . A A . 25 ALA HB3 1 1 4 1627 1 1 25 ALA N N -0.569 -3.026 -0.826 1.00 . A A . 25 ALA N 1 1 4 1628 1 1 25 ALA O O 1.993 -2.554 -1.140 1.00 . A A . 25 ALA O 1 1 4 1629 1 1 26 LYS C C 4.720 -4.369 -1.099 1.00 . A A . 26 LYS C 1 1 4 1630 1 1 26 LYS CA C 3.978 -3.852 0.122 1.00 . A A . 26 LYS CA 1 1 4 1631 1 1 26 LYS CB C 4.697 -4.271 1.420 1.00 . A A . 26 LYS CB 1 1 4 1632 1 1 26 LYS CD C 6.809 -4.047 2.839 1.00 . A A . 26 LYS CD 1 1 4 1633 1 1 26 LYS CE C 7.073 -5.539 2.954 1.00 . A A . 26 LYS CE 1 1 4 1634 1 1 26 LYS CG C 6.104 -3.675 1.540 1.00 . A A . 26 LYS CG 1 1 4 1635 1 1 26 LYS H H 2.352 -5.135 0.540 1.00 . A A . 26 LYS H 1 1 4 1636 1 1 26 LYS HA H 3.951 -2.774 0.061 1.00 . A A . 26 LYS HA 1 1 4 1637 1 1 26 LYS HB2 H 4.112 -3.947 2.269 1.00 . A A . 26 LYS HB2 1 1 4 1638 1 1 26 LYS HB3 H 4.782 -5.347 1.437 1.00 . A A . 26 LYS HB3 1 1 4 1639 1 1 26 LYS HD2 H 7.754 -3.527 2.887 1.00 . A A . 26 LYS HD2 1 1 4 1640 1 1 26 LYS HD3 H 6.192 -3.734 3.668 1.00 . A A . 26 LYS HD3 1 1 4 1641 1 1 26 LYS HE2 H 6.125 -6.050 3.018 1.00 . A A . 26 LYS HE2 1 1 4 1642 1 1 26 LYS HE3 H 7.603 -5.878 2.077 1.00 . A A . 26 LYS HE3 1 1 4 1643 1 1 26 LYS HG2 H 6.701 -4.032 0.714 1.00 . A A . 26 LYS HG2 1 1 4 1644 1 1 26 LYS HG3 H 6.025 -2.600 1.477 1.00 . A A . 26 LYS HG3 1 1 4 1645 1 1 26 LYS HZ1 H 7.392 -5.523 5.021 1.00 . A A . 26 LYS HZ1 1 1 4 1646 1 1 26 LYS HZ2 H 8.798 -5.399 4.102 1.00 . A A . 26 LYS HZ2 1 1 4 1647 1 1 26 LYS HZ3 H 8.024 -6.882 4.240 1.00 . A A . 26 LYS HZ3 1 1 4 1648 1 1 26 LYS N N 2.612 -4.308 0.078 1.00 . A A . 26 LYS N 1 1 4 1649 1 1 26 LYS NZ N 7.866 -5.858 4.158 1.00 . A A . 26 LYS NZ 1 1 4 1650 1 1 26 LYS O O 4.593 -5.546 -1.466 1.00 . A A . 26 LYS O 1 1 4 1651 1 1 27 THR C C 7.597 -4.342 -2.494 1.00 . A A . 27 THR C 1 1 4 1652 1 1 27 THR CA C 6.214 -3.800 -2.897 1.00 . A A . 27 THR CA 1 1 4 1653 1 1 27 THR CB C 6.357 -2.503 -3.699 1.00 . A A . 27 THR CB 1 1 4 1654 1 1 27 THR CG2 C 5.044 -2.155 -4.383 1.00 . A A . 27 THR CG2 1 1 4 1655 1 1 27 THR H H 5.496 -2.566 -1.426 1.00 . A A . 27 THR H 1 1 4 1656 1 1 27 THR HA H 5.685 -4.523 -3.499 1.00 . A A . 27 THR HA 1 1 4 1657 1 1 27 THR HB H 7.133 -2.625 -4.439 1.00 . A A . 27 THR HB 1 1 4 1658 1 1 27 THR HG1 H 7.585 -1.093 -3.028 1.00 . A A . 27 THR HG1 1 1 4 1659 1 1 27 THR HG21 H 5.152 -1.222 -4.915 1.00 . A A . 27 THR HG21 1 1 4 1660 1 1 27 THR HG22 H 4.266 -2.059 -3.640 1.00 . A A . 27 THR HG22 1 1 4 1661 1 1 27 THR HG23 H 4.780 -2.937 -5.079 1.00 . A A . 27 THR HG23 1 1 4 1662 1 1 27 THR N N 5.442 -3.497 -1.728 1.00 . A A . 27 THR N 1 1 4 1663 1 1 27 THR O O 7.836 -4.608 -1.306 1.00 . A A . 27 THR O 1 1 4 1664 1 1 27 THR OG1 O 6.714 -1.437 -2.788 1.00 . A A . 27 THR OG1 1 1 4 1665 1 1 28 ILE C C 10.552 -3.860 -2.389 1.00 . A A . 28 ILE C 1 1 4 1666 1 1 28 ILE CA C 9.844 -4.974 -3.160 1.00 . A A . 28 ILE CA 1 1 4 1667 1 1 28 ILE CB C 10.648 -5.333 -4.445 1.00 . A A . 28 ILE CB 1 1 4 1668 1 1 28 ILE CD1 C 10.585 -6.782 -6.554 1.00 . A A . 28 ILE CD1 1 1 4 1669 1 1 28 ILE CG1 C 9.921 -6.428 -5.239 1.00 . A A . 28 ILE CG1 1 1 4 1670 1 1 28 ILE CG2 C 12.059 -5.797 -4.077 1.00 . A A . 28 ILE CG2 1 1 4 1671 1 1 28 ILE H H 8.213 -4.397 -4.395 1.00 . A A . 28 ILE H 1 1 4 1672 1 1 28 ILE HA H 9.771 -5.842 -2.521 1.00 . A A . 28 ILE HA 1 1 4 1673 1 1 28 ILE HB H 10.732 -4.449 -5.060 1.00 . A A . 28 ILE HB 1 1 4 1674 1 1 28 ILE HD11 H 10.006 -7.541 -7.058 1.00 . A A . 28 ILE HD11 1 1 4 1675 1 1 28 ILE HD12 H 11.581 -7.154 -6.365 1.00 . A A . 28 ILE HD12 1 1 4 1676 1 1 28 ILE HD13 H 10.642 -5.901 -7.175 1.00 . A A . 28 ILE HD13 1 1 4 1677 1 1 28 ILE HG12 H 9.885 -7.327 -4.641 1.00 . A A . 28 ILE HG12 1 1 4 1678 1 1 28 ILE HG13 H 8.913 -6.106 -5.448 1.00 . A A . 28 ILE HG13 1 1 4 1679 1 1 28 ILE HG21 H 12.000 -6.690 -3.473 1.00 . A A . 28 ILE HG21 1 1 4 1680 1 1 28 ILE HG22 H 12.556 -5.021 -3.515 1.00 . A A . 28 ILE HG22 1 1 4 1681 1 1 28 ILE HG23 H 12.617 -6.006 -4.979 1.00 . A A . 28 ILE HG23 1 1 4 1682 1 1 28 ILE N N 8.486 -4.538 -3.462 1.00 . A A . 28 ILE N 1 1 4 1683 1 1 28 ILE O O 10.995 -4.057 -1.252 1.00 . A A . 28 ILE O 1 1 4 1684 1 1 29 ALA C C 9.999 -0.659 -1.926 1.00 . A A . 29 ALA C 1 1 4 1685 1 1 29 ALA CA C 11.155 -1.535 -2.337 1.00 . A A . 29 ALA CA 1 1 4 1686 1 1 29 ALA CB C 12.083 -0.766 -3.268 1.00 . A A . 29 ALA CB 1 1 4 1687 1 1 29 ALA H H 10.257 -2.602 -3.898 1.00 . A A . 29 ALA H 1 1 4 1688 1 1 29 ALA HA H 11.706 -1.857 -1.465 1.00 . A A . 29 ALA HA 1 1 4 1689 1 1 29 ALA HB1 H 12.468 0.100 -2.750 1.00 . A A . 29 ALA HB1 1 1 4 1690 1 1 29 ALA HB2 H 11.530 -0.444 -4.137 1.00 . A A . 29 ALA HB2 1 1 4 1691 1 1 29 ALA HB3 H 12.902 -1.398 -3.574 1.00 . A A . 29 ALA HB3 1 1 4 1692 1 1 29 ALA N N 10.611 -2.695 -2.988 1.00 . A A . 29 ALA N 1 1 4 1693 1 1 29 ALA O O 9.233 -0.205 -2.795 1.00 . A A . 29 ALA O 1 1 4 1694 1 1 30 PRO C C 8.826 1.817 -0.644 1.00 . A A . 30 PRO C 1 1 4 1695 1 1 30 PRO CA C 8.712 0.387 -0.116 1.00 . A A . 30 PRO CA 1 1 4 1696 1 1 30 PRO CB C 8.896 0.354 1.403 1.00 . A A . 30 PRO CB 1 1 4 1697 1 1 30 PRO CD C 10.548 -1.076 0.486 1.00 . A A . 30 PRO CD 1 1 4 1698 1 1 30 PRO CG C 9.614 -0.920 1.649 1.00 . A A . 30 PRO CG 1 1 4 1699 1 1 30 PRO HA H 7.744 -0.012 -0.381 1.00 . A A . 30 PRO HA 1 1 4 1700 1 1 30 PRO HB2 H 9.477 1.211 1.713 1.00 . A A . 30 PRO HB2 1 1 4 1701 1 1 30 PRO HB3 H 7.933 0.367 1.892 1.00 . A A . 30 PRO HB3 1 1 4 1702 1 1 30 PRO HD2 H 11.473 -0.550 0.666 1.00 . A A . 30 PRO HD2 1 1 4 1703 1 1 30 PRO HD3 H 10.731 -2.122 0.292 1.00 . A A . 30 PRO HD3 1 1 4 1704 1 1 30 PRO HG2 H 10.160 -0.864 2.579 1.00 . A A . 30 PRO HG2 1 1 4 1705 1 1 30 PRO HG3 H 8.910 -1.739 1.676 1.00 . A A . 30 PRO HG3 1 1 4 1706 1 1 30 PRO N N 9.786 -0.463 -0.618 1.00 . A A . 30 PRO N 1 1 4 1707 1 1 30 PRO O O 9.924 2.369 -0.784 1.00 . A A . 30 PRO O 1 1 4 1708 1 1 31 CYS C C 7.728 4.795 -0.419 1.00 . A A . 31 CYS C 1 1 4 1709 1 1 31 CYS CA C 7.558 3.718 -1.488 1.00 . A A . 31 CYS CA 1 1 4 1710 1 1 31 CYS CB C 6.163 3.800 -2.075 1.00 . A A . 31 CYS CB 1 1 4 1711 1 1 31 CYS H H 6.861 1.892 -0.774 1.00 . A A . 31 CYS H 1 1 4 1712 1 1 31 CYS HA H 8.271 3.857 -2.286 1.00 . A A . 31 CYS HA 1 1 4 1713 1 1 31 CYS HB2 H 5.945 4.821 -2.349 1.00 . A A . 31 CYS HB2 1 1 4 1714 1 1 31 CYS HB3 H 6.098 3.161 -2.943 1.00 . A A . 31 CYS HB3 1 1 4 1715 1 1 31 CYS N N 7.699 2.384 -0.927 1.00 . A A . 31 CYS N 1 1 4 1716 1 1 31 CYS O O 7.798 5.987 -0.718 1.00 . A A . 31 CYS O 1 1 4 1717 1 1 31 CYS SG S 4.888 3.246 -0.885 1.00 . A A . 31 CYS SG 1 1 4 1718 1 1 32 LYS C C 9.322 5.261 2.408 1.00 . A A . 32 LYS C 1 1 4 1719 1 1 32 LYS CA C 7.895 5.281 1.916 1.00 . A A . 32 LYS CA 1 1 4 1720 1 1 32 LYS CB C 6.929 4.874 3.034 1.00 . A A . 32 LYS CB 1 1 4 1721 1 1 32 LYS CD C 4.562 4.377 3.699 1.00 . A A . 32 LYS CD 1 1 4 1722 1 1 32 LYS CE C 3.157 4.133 3.188 1.00 . A A . 32 LYS CE 1 1 4 1723 1 1 32 LYS CG C 5.495 4.712 2.562 1.00 . A A . 32 LYS CG 1 1 4 1724 1 1 32 LYS H H 7.763 3.412 0.992 1.00 . A A . 32 LYS H 1 1 4 1725 1 1 32 LYS HA H 7.644 6.274 1.573 1.00 . A A . 32 LYS HA 1 1 4 1726 1 1 32 LYS HB2 H 7.258 3.935 3.454 1.00 . A A . 32 LYS HB2 1 1 4 1727 1 1 32 LYS HB3 H 6.948 5.629 3.806 1.00 . A A . 32 LYS HB3 1 1 4 1728 1 1 32 LYS HD2 H 4.916 3.487 4.198 1.00 . A A . 32 LYS HD2 1 1 4 1729 1 1 32 LYS HD3 H 4.544 5.201 4.397 1.00 . A A . 32 LYS HD3 1 1 4 1730 1 1 32 LYS HE2 H 2.836 4.996 2.626 1.00 . A A . 32 LYS HE2 1 1 4 1731 1 1 32 LYS HE3 H 3.166 3.268 2.541 1.00 . A A . 32 LYS HE3 1 1 4 1732 1 1 32 LYS HG2 H 5.171 5.636 2.106 1.00 . A A . 32 LYS HG2 1 1 4 1733 1 1 32 LYS HG3 H 5.459 3.920 1.828 1.00 . A A . 32 LYS HG3 1 1 4 1734 1 1 32 LYS HZ1 H 2.525 3.121 4.911 1.00 . A A . 32 LYS HZ1 1 1 4 1735 1 1 32 LYS HZ2 H 1.261 3.674 3.940 1.00 . A A . 32 LYS HZ2 1 1 4 1736 1 1 32 LYS HZ3 H 2.103 4.749 4.878 1.00 . A A . 32 LYS HZ3 1 1 4 1737 1 1 32 LYS N N 7.778 4.374 0.815 1.00 . A A . 32 LYS N 1 1 4 1738 1 1 32 LYS NZ N 2.215 3.898 4.291 1.00 . A A . 32 LYS NZ 1 1 4 1739 1 1 32 LYS O O 9.647 4.427 3.270 1.00 . A A . 32 LYS O 1 1 4 1740 1 1 32 LYS OXT O 10.141 6.037 1.907 1.00 . A A . 32 LYS OXT 1 1 5 1741 1 1 1 CYS C C -6.071 3.043 5.413 1.00 . A A . 1 CYS C 1 1 5 1742 1 1 1 CYS CA C -5.505 4.364 5.903 1.00 . A A . 1 CYS CA 1 1 5 1743 1 1 1 CYS CB C -4.104 4.180 6.511 1.00 . A A . 1 CYS CB 1 1 5 1744 1 1 1 CYS H1 H -6.511 4.281 7.673 1.00 . A A . 1 CYS H1 1 1 5 1745 1 1 1 CYS H2 H -7.332 5.049 6.418 1.00 . A A . 1 CYS H2 1 1 5 1746 1 1 1 CYS H3 H -6.081 5.860 7.208 1.00 . A A . 1 CYS H3 1 1 5 1747 1 1 1 CYS HA H -5.440 5.038 5.062 1.00 . A A . 1 CYS HA 1 1 5 1748 1 1 1 CYS HB2 H -3.440 3.777 5.761 1.00 . A A . 1 CYS HB2 1 1 5 1749 1 1 1 CYS HB3 H -3.738 5.148 6.821 1.00 . A A . 1 CYS HB3 1 1 5 1750 1 1 1 CYS N N -6.404 4.932 6.871 1.00 . A A . 1 CYS N 1 1 5 1751 1 1 1 CYS O O -6.838 2.373 6.130 1.00 . A A . 1 CYS O 1 1 5 1752 1 1 1 CYS SG S -4.018 3.072 7.965 1.00 . A A . 1 CYS SG 1 1 5 1753 1 1 2 ALA C C -5.215 0.340 3.963 1.00 . A A . 2 ALA C 1 1 5 1754 1 1 2 ALA CA C -6.203 1.444 3.643 1.00 . A A . 2 ALA CA 1 1 5 1755 1 1 2 ALA CB C -6.403 1.594 2.153 1.00 . A A . 2 ALA CB 1 1 5 1756 1 1 2 ALA H H -5.180 3.271 3.658 1.00 . A A . 2 ALA H 1 1 5 1757 1 1 2 ALA HA H -7.150 1.195 4.098 1.00 . A A . 2 ALA HA 1 1 5 1758 1 1 2 ALA HB1 H -6.787 0.674 1.741 1.00 . A A . 2 ALA HB1 1 1 5 1759 1 1 2 ALA HB2 H -5.457 1.829 1.688 1.00 . A A . 2 ALA HB2 1 1 5 1760 1 1 2 ALA HB3 H -7.104 2.392 1.966 1.00 . A A . 2 ALA HB3 1 1 5 1761 1 1 2 ALA N N -5.750 2.682 4.206 1.00 . A A . 2 ALA N 1 1 5 1762 1 1 2 ALA O O -3.993 0.537 3.880 1.00 . A A . 2 ALA O 1 1 5 1763 1 1 3 VAL C C -4.641 -2.802 3.516 1.00 . A A . 3 VAL C 1 1 5 1764 1 1 3 VAL CA C -4.883 -1.915 4.725 1.00 . A A . 3 VAL CA 1 1 5 1765 1 1 3 VAL CB C -5.477 -2.759 5.885 1.00 . A A . 3 VAL CB 1 1 5 1766 1 1 3 VAL CG1 C -5.560 -1.945 7.160 1.00 . A A . 3 VAL CG1 1 1 5 1767 1 1 3 VAL CG2 C -6.846 -3.306 5.513 1.00 . A A . 3 VAL CG2 1 1 5 1768 1 1 3 VAL H H -6.707 -0.871 4.407 1.00 . A A . 3 VAL H 1 1 5 1769 1 1 3 VAL HA H -3.931 -1.515 5.043 1.00 . A A . 3 VAL HA 1 1 5 1770 1 1 3 VAL HB H -4.815 -3.592 6.066 1.00 . A A . 3 VAL HB 1 1 5 1771 1 1 3 VAL HG11 H -4.571 -1.613 7.442 1.00 . A A . 3 VAL HG11 1 1 5 1772 1 1 3 VAL HG12 H -5.972 -2.555 7.949 1.00 . A A . 3 VAL HG12 1 1 5 1773 1 1 3 VAL HG13 H -6.195 -1.086 6.998 1.00 . A A . 3 VAL HG13 1 1 5 1774 1 1 3 VAL HG21 H -7.508 -2.480 5.299 1.00 . A A . 3 VAL HG21 1 1 5 1775 1 1 3 VAL HG22 H -7.244 -3.895 6.326 1.00 . A A . 3 VAL HG22 1 1 5 1776 1 1 3 VAL HG23 H -6.750 -3.918 4.628 1.00 . A A . 3 VAL HG23 1 1 5 1777 1 1 3 VAL N N -5.723 -0.788 4.370 1.00 . A A . 3 VAL N 1 1 5 1778 1 1 3 VAL O O -5.063 -2.476 2.400 1.00 . A A . 3 VAL O 1 1 5 1779 1 1 4 THR C C -4.940 -5.347 2.038 1.00 . A A . 4 THR C 1 1 5 1780 1 1 4 THR CA C -3.644 -4.840 2.687 1.00 . A A . 4 THR CA 1 1 5 1781 1 1 4 THR CB C -2.835 -6.019 3.262 1.00 . A A . 4 THR CB 1 1 5 1782 1 1 4 THR CG2 C -2.254 -6.875 2.145 1.00 . A A . 4 THR CG2 1 1 5 1783 1 1 4 THR H H -3.629 -4.112 4.633 1.00 . A A . 4 THR H 1 1 5 1784 1 1 4 THR HA H -3.046 -4.336 1.944 1.00 . A A . 4 THR HA 1 1 5 1785 1 1 4 THR HB H -3.479 -6.622 3.886 1.00 . A A . 4 THR HB 1 1 5 1786 1 1 4 THR HG1 H -0.911 -5.824 3.713 1.00 . A A . 4 THR HG1 1 1 5 1787 1 1 4 THR HG21 H -1.606 -6.265 1.533 1.00 . A A . 4 THR HG21 1 1 5 1788 1 1 4 THR HG22 H -3.058 -7.265 1.538 1.00 . A A . 4 THR HG22 1 1 5 1789 1 1 4 THR HG23 H -1.689 -7.692 2.568 1.00 . A A . 4 THR HG23 1 1 5 1790 1 1 4 THR N N -3.953 -3.904 3.732 1.00 . A A . 4 THR N 1 1 5 1791 1 1 4 THR O O -5.904 -5.677 2.745 1.00 . A A . 4 THR O 1 1 5 1792 1 1 4 THR OG1 O -1.752 -5.489 4.055 1.00 . A A . 4 THR OG1 1 1 5 1793 1 1 5 HIS C C -7.140 -4.658 -0.325 1.00 . A A . 5 HIS C 1 1 5 1794 1 1 5 HIS CA C -6.094 -5.750 -0.142 1.00 . A A . 5 HIS CA 1 1 5 1795 1 1 5 HIS CB C -6.753 -7.078 0.298 1.00 . A A . 5 HIS CB 1 1 5 1796 1 1 5 HIS CD2 C -5.376 -8.923 -0.888 1.00 . A A . 5 HIS CD2 1 1 5 1797 1 1 5 HIS CE1 C -4.717 -10.036 0.850 1.00 . A A . 5 HIS CE1 1 1 5 1798 1 1 5 HIS CG C -5.870 -8.286 0.201 1.00 . A A . 5 HIS CG 1 1 5 1799 1 1 5 HIS H H -4.154 -4.977 0.253 1.00 . A A . 5 HIS H 1 1 5 1800 1 1 5 HIS HA H -5.660 -5.897 -1.121 1.00 . A A . 5 HIS HA 1 1 5 1801 1 1 5 HIS HB2 H -7.062 -6.986 1.329 1.00 . A A . 5 HIS HB2 1 1 5 1802 1 1 5 HIS HB3 H -7.626 -7.247 -0.315 1.00 . A A . 5 HIS HB3 1 1 5 1803 1 1 5 HIS HD1 H -5.609 -8.813 2.239 1.00 . A A . 5 HIS HD1 1 1 5 1804 1 1 5 HIS HD2 H -5.519 -8.624 -1.915 1.00 . A A . 5 HIS HD2 1 1 5 1805 1 1 5 HIS HE1 H -4.255 -10.776 1.486 1.00 . A A . 5 HIS HE1 1 1 5 1806 1 1 5 HIS N N -4.958 -5.324 0.704 1.00 . A A . 5 HIS N 1 1 5 1807 1 1 5 HIS ND1 N -5.437 -9.011 1.291 1.00 . A A . 5 HIS ND1 1 1 5 1808 1 1 5 HIS NE2 N -4.646 -10.035 -0.474 1.00 . A A . 5 HIS NE2 1 1 5 1809 1 1 5 HIS O O -8.001 -4.769 -1.198 1.00 . A A . 5 HIS O 1 1 5 1810 1 1 6 GLU C C -7.561 -1.648 -0.853 1.00 . A A . 6 GLU C 1 1 5 1811 1 1 6 GLU CA C -8.010 -2.510 0.297 1.00 . A A . 6 GLU CA 1 1 5 1812 1 1 6 GLU CB C -8.169 -1.641 1.544 1.00 . A A . 6 GLU CB 1 1 5 1813 1 1 6 GLU CD C -9.333 -1.256 3.698 1.00 . A A . 6 GLU CD 1 1 5 1814 1 1 6 GLU CG C -8.853 -2.291 2.711 1.00 . A A . 6 GLU CG 1 1 5 1815 1 1 6 GLU H H -6.403 -3.552 1.184 1.00 . A A . 6 GLU H 1 1 5 1816 1 1 6 GLU HA H -8.966 -2.941 0.042 1.00 . A A . 6 GLU HA 1 1 5 1817 1 1 6 GLU HB2 H -7.183 -1.381 1.901 1.00 . A A . 6 GLU HB2 1 1 5 1818 1 1 6 GLU HB3 H -8.708 -0.741 1.287 1.00 . A A . 6 GLU HB3 1 1 5 1819 1 1 6 GLU HG2 H -9.698 -2.861 2.353 1.00 . A A . 6 GLU HG2 1 1 5 1820 1 1 6 GLU HG3 H -8.158 -2.950 3.209 1.00 . A A . 6 GLU HG3 1 1 5 1821 1 1 6 GLU N N -7.083 -3.608 0.477 1.00 . A A . 6 GLU N 1 1 5 1822 1 1 6 GLU O O -6.378 -1.645 -1.204 1.00 . A A . 6 GLU O 1 1 5 1823 1 1 6 GLU OE1 O -10.543 -0.962 3.700 1.00 . A A . 6 GLU OE1 1 1 5 1824 1 1 6 GLU OE2 O -8.515 -0.680 4.455 1.00 . A A . 6 GLU OE2 1 1 5 1825 1 1 7 LYS C C -7.319 1.084 -2.066 1.00 . A A . 7 LYS C 1 1 5 1826 1 1 7 LYS CA C -8.216 -0.045 -2.546 1.00 . A A . 7 LYS CA 1 1 5 1827 1 1 7 LYS CB C -9.528 0.520 -3.131 1.00 . A A . 7 LYS CB 1 1 5 1828 1 1 7 LYS CD C -11.668 1.848 -2.800 1.00 . A A . 7 LYS CD 1 1 5 1829 1 1 7 LYS CE C -12.612 0.679 -3.054 1.00 . A A . 7 LYS CE 1 1 5 1830 1 1 7 LYS CG C -10.354 1.390 -2.168 1.00 . A A . 7 LYS CG 1 1 5 1831 1 1 7 LYS H H -9.418 -1.023 -1.120 1.00 . A A . 7 LYS H 1 1 5 1832 1 1 7 LYS HA H -7.700 -0.605 -3.312 1.00 . A A . 7 LYS HA 1 1 5 1833 1 1 7 LYS HB2 H -9.287 1.123 -3.995 1.00 . A A . 7 LYS HB2 1 1 5 1834 1 1 7 LYS HB3 H -10.135 -0.314 -3.445 1.00 . A A . 7 LYS HB3 1 1 5 1835 1 1 7 LYS HD2 H -12.152 2.547 -2.133 1.00 . A A . 7 LYS HD2 1 1 5 1836 1 1 7 LYS HD3 H -11.451 2.339 -3.737 1.00 . A A . 7 LYS HD3 1 1 5 1837 1 1 7 LYS HE2 H -12.096 -0.070 -3.632 1.00 . A A . 7 LYS HE2 1 1 5 1838 1 1 7 LYS HE3 H -12.903 0.257 -2.103 1.00 . A A . 7 LYS HE3 1 1 5 1839 1 1 7 LYS HG2 H -10.573 0.824 -1.275 1.00 . A A . 7 LYS HG2 1 1 5 1840 1 1 7 LYS HG3 H -9.770 2.258 -1.902 1.00 . A A . 7 LYS HG3 1 1 5 1841 1 1 7 LYS HZ1 H -14.444 0.272 -3.949 1.00 . A A . 7 LYS HZ1 1 1 5 1842 1 1 7 LYS HZ2 H -13.564 1.475 -4.718 1.00 . A A . 7 LYS HZ2 1 1 5 1843 1 1 7 LYS HZ3 H -14.359 1.815 -3.269 1.00 . A A . 7 LYS HZ3 1 1 5 1844 1 1 7 LYS N N -8.497 -0.940 -1.444 1.00 . A A . 7 LYS N 1 1 5 1845 1 1 7 LYS NZ N -13.823 1.090 -3.786 1.00 . A A . 7 LYS NZ 1 1 5 1846 1 1 7 LYS O O -7.444 1.538 -0.931 1.00 . A A . 7 LYS O 1 1 5 1847 1 1 8 CYS C C -5.771 3.814 -3.324 1.00 . A A . 8 CYS C 1 1 5 1848 1 1 8 CYS CA C -5.548 2.582 -2.496 1.00 . A A . 8 CYS CA 1 1 5 1849 1 1 8 CYS CB C -4.098 2.120 -2.618 1.00 . A A . 8 CYS CB 1 1 5 1850 1 1 8 CYS H H -6.366 1.176 -3.807 1.00 . A A . 8 CYS H 1 1 5 1851 1 1 8 CYS HA H -5.746 2.812 -1.460 1.00 . A A . 8 CYS HA 1 1 5 1852 1 1 8 CYS HB2 H -3.445 2.942 -2.367 1.00 . A A . 8 CYS HB2 1 1 5 1853 1 1 8 CYS HB3 H -3.928 1.310 -1.923 1.00 . A A . 8 CYS HB3 1 1 5 1854 1 1 8 CYS N N -6.442 1.540 -2.898 1.00 . A A . 8 CYS N 1 1 5 1855 1 1 8 CYS O O -5.992 3.735 -4.537 1.00 . A A . 8 CYS O 1 1 5 1856 1 1 8 CYS SG S -3.624 1.535 -4.278 1.00 . A A . 8 CYS SG 1 1 5 1857 1 1 9 SER C C -4.504 6.753 -3.640 1.00 . A A . 9 SER C 1 1 5 1858 1 1 9 SER CA C -5.895 6.194 -3.367 1.00 . A A . 9 SER CA 1 1 5 1859 1 1 9 SER CB C -6.697 7.169 -2.515 1.00 . A A . 9 SER CB 1 1 5 1860 1 1 9 SER H H -5.710 4.942 -1.689 1.00 . A A . 9 SER H 1 1 5 1861 1 1 9 SER HA H -6.413 6.024 -4.299 1.00 . A A . 9 SER HA 1 1 5 1862 1 1 9 SER HB2 H -6.139 7.398 -1.619 1.00 . A A . 9 SER HB2 1 1 5 1863 1 1 9 SER HB3 H -6.876 8.076 -3.073 1.00 . A A . 9 SER HB3 1 1 5 1864 1 1 9 SER HG H -7.787 5.750 -1.716 1.00 . A A . 9 SER HG 1 1 5 1865 1 1 9 SER N N -5.772 4.944 -2.676 1.00 . A A . 9 SER N 1 1 5 1866 1 1 9 SER O O -4.295 7.523 -4.581 1.00 . A A . 9 SER O 1 1 5 1867 1 1 9 SER OG O -7.950 6.599 -2.146 1.00 . A A . 9 SER OG 1 1 5 1868 1 1 10 ASP C C -1.354 5.781 -2.128 1.00 . A A . 10 ASP C 1 1 5 1869 1 1 10 ASP CA C -2.188 6.787 -2.899 1.00 . A A . 10 ASP CA 1 1 5 1870 1 1 10 ASP CB C -2.114 8.162 -2.194 1.00 . A A . 10 ASP CB 1 1 5 1871 1 1 10 ASP CG C -0.801 8.890 -2.367 1.00 . A A . 10 ASP CG 1 1 5 1872 1 1 10 ASP H H -3.738 5.597 -2.197 1.00 . A A . 10 ASP H 1 1 5 1873 1 1 10 ASP HA H -1.860 6.872 -3.923 1.00 . A A . 10 ASP HA 1 1 5 1874 1 1 10 ASP HB2 H -2.898 8.798 -2.577 1.00 . A A . 10 ASP HB2 1 1 5 1875 1 1 10 ASP HB3 H -2.276 8.004 -1.138 1.00 . A A . 10 ASP HB3 1 1 5 1876 1 1 10 ASP N N -3.554 6.308 -2.847 1.00 . A A . 10 ASP N 1 1 5 1877 1 1 10 ASP O O -1.919 4.943 -1.426 1.00 . A A . 10 ASP O 1 1 5 1878 1 1 10 ASP OD1 O -0.751 9.864 -3.134 1.00 . A A . 10 ASP OD1 1 1 5 1879 1 1 10 ASP OD2 O 0.195 8.521 -1.739 1.00 . A A . 10 ASP OD2 1 1 5 1880 1 1 11 ASP C C 0.802 5.360 -0.027 1.00 . A A . 11 ASP C 1 1 5 1881 1 1 11 ASP CA C 0.851 4.976 -1.489 1.00 . A A . 11 ASP CA 1 1 5 1882 1 1 11 ASP CB C 2.311 5.070 -1.997 1.00 . A A . 11 ASP CB 1 1 5 1883 1 1 11 ASP CG C 2.527 4.509 -3.393 1.00 . A A . 11 ASP CG 1 1 5 1884 1 1 11 ASP H H 0.319 6.558 -2.815 1.00 . A A . 11 ASP H 1 1 5 1885 1 1 11 ASP HA H 0.496 3.962 -1.596 1.00 . A A . 11 ASP HA 1 1 5 1886 1 1 11 ASP HB2 H 2.608 6.109 -2.011 1.00 . A A . 11 ASP HB2 1 1 5 1887 1 1 11 ASP HB3 H 2.952 4.537 -1.310 1.00 . A A . 11 ASP HB3 1 1 5 1888 1 1 11 ASP N N -0.049 5.854 -2.238 1.00 . A A . 11 ASP N 1 1 5 1889 1 1 11 ASP O O 0.826 4.517 0.864 1.00 . A A . 11 ASP O 1 1 5 1890 1 1 11 ASP OD1 O 2.575 3.282 -3.554 1.00 . A A . 11 ASP OD1 1 1 5 1891 1 1 11 ASP OD2 O 2.677 5.293 -4.364 1.00 . A A . 11 ASP OD2 1 1 5 1892 1 1 12 TYR C C -0.837 7.135 2.094 1.00 . A A . 12 TYR C 1 1 5 1893 1 1 12 TYR CA C 0.586 7.194 1.554 1.00 . A A . 12 TYR CA 1 1 5 1894 1 1 12 TYR CB C 1.139 8.615 1.584 1.00 . A A . 12 TYR CB 1 1 5 1895 1 1 12 TYR CD1 C 2.914 9.211 -0.107 1.00 . A A . 12 TYR CD1 1 1 5 1896 1 1 12 TYR CD2 C 3.604 8.219 1.941 1.00 . A A . 12 TYR CD2 1 1 5 1897 1 1 12 TYR CE1 C 4.225 9.259 -0.530 1.00 . A A . 12 TYR CE1 1 1 5 1898 1 1 12 TYR CE2 C 4.919 8.268 1.526 1.00 . A A . 12 TYR CE2 1 1 5 1899 1 1 12 TYR CG C 2.581 8.692 1.133 1.00 . A A . 12 TYR CG 1 1 5 1900 1 1 12 TYR CZ C 5.223 8.787 0.291 1.00 . A A . 12 TYR CZ 1 1 5 1901 1 1 12 TYR H H 0.568 7.277 -0.548 1.00 . A A . 12 TYR H 1 1 5 1902 1 1 12 TYR HA H 1.203 6.566 2.179 1.00 . A A . 12 TYR HA 1 1 5 1903 1 1 12 TYR HB2 H 0.547 9.244 0.936 1.00 . A A . 12 TYR HB2 1 1 5 1904 1 1 12 TYR HB3 H 1.085 8.987 2.596 1.00 . A A . 12 TYR HB3 1 1 5 1905 1 1 12 TYR HD1 H 2.130 9.583 -0.748 1.00 . A A . 12 TYR HD1 1 1 5 1906 1 1 12 TYR HD2 H 3.361 7.811 2.910 1.00 . A A . 12 TYR HD2 1 1 5 1907 1 1 12 TYR HE1 H 4.462 9.666 -1.502 1.00 . A A . 12 TYR HE1 1 1 5 1908 1 1 12 TYR HE2 H 5.704 7.900 2.169 1.00 . A A . 12 TYR HE2 1 1 5 1909 1 1 12 TYR HH H 6.930 7.946 -0.086 1.00 . A A . 12 TYR HH 1 1 5 1910 1 1 12 TYR N N 0.650 6.649 0.211 1.00 . A A . 12 TYR N 1 1 5 1911 1 1 12 TYR O O -1.136 7.641 3.167 1.00 . A A . 12 TYR O 1 1 5 1912 1 1 12 TYR OH O 6.535 8.829 -0.130 1.00 . A A . 12 TYR OH 1 1 5 1913 1 1 13 ASP C C -3.177 4.883 2.301 1.00 . A A . 13 ASP C 1 1 5 1914 1 1 13 ASP CA C -3.088 6.291 1.712 1.00 . A A . 13 ASP CA 1 1 5 1915 1 1 13 ASP CB C -4.006 6.464 0.482 1.00 . A A . 13 ASP CB 1 1 5 1916 1 1 13 ASP CG C -5.456 6.064 0.672 1.00 . A A . 13 ASP CG 1 1 5 1917 1 1 13 ASP H H -1.406 6.235 0.433 1.00 . A A . 13 ASP H 1 1 5 1918 1 1 13 ASP HA H -3.353 7.010 2.473 1.00 . A A . 13 ASP HA 1 1 5 1919 1 1 13 ASP HB2 H -3.999 7.505 0.192 1.00 . A A . 13 ASP HB2 1 1 5 1920 1 1 13 ASP HB3 H -3.594 5.883 -0.330 1.00 . A A . 13 ASP HB3 1 1 5 1921 1 1 13 ASP N N -1.707 6.536 1.317 1.00 . A A . 13 ASP N 1 1 5 1922 1 1 13 ASP O O -4.147 4.516 2.962 1.00 . A A . 13 ASP O 1 1 5 1923 1 1 13 ASP OD1 O -5.878 5.070 0.065 1.00 . A A . 13 ASP OD1 1 1 5 1924 1 1 13 ASP OD2 O -6.219 6.778 1.371 1.00 . A A . 13 ASP OD2 1 1 5 1925 1 1 14 CYS C C -1.327 2.769 3.956 1.00 . A A . 14 CYS C 1 1 5 1926 1 1 14 CYS CA C -2.011 2.776 2.599 1.00 . A A . 14 CYS CA 1 1 5 1927 1 1 14 CYS CB C -1.238 1.915 1.615 1.00 . A A . 14 CYS CB 1 1 5 1928 1 1 14 CYS H H -1.358 4.488 1.593 1.00 . A A . 14 CYS H 1 1 5 1929 1 1 14 CYS HA H -3.010 2.376 2.703 1.00 . A A . 14 CYS HA 1 1 5 1930 1 1 14 CYS HB2 H -0.247 2.322 1.482 1.00 . A A . 14 CYS HB2 1 1 5 1931 1 1 14 CYS HB3 H -1.165 0.914 2.014 1.00 . A A . 14 CYS HB3 1 1 5 1932 1 1 14 CYS N N -2.117 4.125 2.097 1.00 . A A . 14 CYS N 1 1 5 1933 1 1 14 CYS O O -0.374 3.528 4.183 1.00 . A A . 14 CYS O 1 1 5 1934 1 1 14 CYS SG S -2.015 1.798 -0.016 1.00 . A A . 14 CYS SG 1 1 5 1935 1 1 15 CYS C C 0.152 1.383 6.272 1.00 . A A . 15 CYS C 1 1 5 1936 1 1 15 CYS CA C -1.314 1.823 6.214 1.00 . A A . 15 CYS CA 1 1 5 1937 1 1 15 CYS CB C -2.156 0.822 7.008 1.00 . A A . 15 CYS CB 1 1 5 1938 1 1 15 CYS H H -2.553 1.334 4.574 1.00 . A A . 15 CYS H 1 1 5 1939 1 1 15 CYS HA H -1.413 2.790 6.685 1.00 . A A . 15 CYS HA 1 1 5 1940 1 1 15 CYS HB2 H -2.093 -0.132 6.509 1.00 . A A . 15 CYS HB2 1 1 5 1941 1 1 15 CYS HB3 H -1.748 0.725 8.002 1.00 . A A . 15 CYS HB3 1 1 5 1942 1 1 15 CYS N N -1.815 1.927 4.846 1.00 . A A . 15 CYS N 1 1 5 1943 1 1 15 CYS O O 0.632 0.656 5.395 1.00 . A A . 15 CYS O 1 1 5 1944 1 1 15 CYS SG S -3.935 1.213 7.156 1.00 . A A . 15 CYS SG 1 1 5 1945 1 1 16 GLY C C 3.185 1.560 6.464 1.00 . A A . 16 GLY C 1 1 5 1946 1 1 16 GLY CA C 2.208 1.487 7.608 1.00 . A A . 16 GLY CA 1 1 5 1947 1 1 16 GLY H H 0.411 2.547 7.859 1.00 . A A . 16 GLY H 1 1 5 1948 1 1 16 GLY HA2 H 2.566 2.147 8.384 1.00 . A A . 16 GLY HA2 1 1 5 1949 1 1 16 GLY HA3 H 2.206 0.485 8.005 1.00 . A A . 16 GLY HA3 1 1 5 1950 1 1 16 GLY N N 0.846 1.877 7.289 1.00 . A A . 16 GLY N 1 1 5 1951 1 1 16 GLY O O 3.453 2.631 5.940 1.00 . A A . 16 GLY O 1 1 5 1952 1 1 17 SER C C 4.159 -0.102 3.694 1.00 . A A . 17 SER C 1 1 5 1953 1 1 17 SER CA C 4.709 0.327 5.057 1.00 . A A . 17 SER CA 1 1 5 1954 1 1 17 SER CB C 5.748 -0.658 5.564 1.00 . A A . 17 SER CB 1 1 5 1955 1 1 17 SER H H 3.355 -0.424 6.444 1.00 . A A . 17 SER H 1 1 5 1956 1 1 17 SER HA H 5.185 1.292 4.962 1.00 . A A . 17 SER HA 1 1 5 1957 1 1 17 SER HB2 H 6.355 -0.997 4.737 1.00 . A A . 17 SER HB2 1 1 5 1958 1 1 17 SER HB3 H 6.373 -0.182 6.305 1.00 . A A . 17 SER HB3 1 1 5 1959 1 1 17 SER HG H 5.261 -2.566 5.617 1.00 . A A . 17 SER HG 1 1 5 1960 1 1 17 SER N N 3.677 0.422 6.063 1.00 . A A . 17 SER N 1 1 5 1961 1 1 17 SER O O 4.924 -0.291 2.732 1.00 . A A . 17 SER O 1 1 5 1962 1 1 17 SER OG O 5.100 -1.785 6.163 1.00 . A A . 17 SER OG 1 1 5 1963 1 1 18 LEU C C 2.286 0.376 1.292 1.00 . A A . 18 LEU C 1 1 5 1964 1 1 18 LEU CA C 2.202 -0.675 2.380 1.00 . A A . 18 LEU CA 1 1 5 1965 1 1 18 LEU CB C 0.740 -1.000 2.636 1.00 . A A . 18 LEU CB 1 1 5 1966 1 1 18 LEU CD1 C -1.042 -2.222 3.831 1.00 . A A . 18 LEU CD1 1 1 5 1967 1 1 18 LEU CD2 C 1.043 -3.412 3.208 1.00 . A A . 18 LEU CD2 1 1 5 1968 1 1 18 LEU CG C 0.448 -2.091 3.649 1.00 . A A . 18 LEU CG 1 1 5 1969 1 1 18 LEU H H 2.293 0.001 4.382 1.00 . A A . 18 LEU H 1 1 5 1970 1 1 18 LEU HA H 2.698 -1.572 2.041 1.00 . A A . 18 LEU HA 1 1 5 1971 1 1 18 LEU HB2 H 0.272 -0.095 2.994 1.00 . A A . 18 LEU HB2 1 1 5 1972 1 1 18 LEU HB3 H 0.284 -1.276 1.696 1.00 . A A . 18 LEU HB3 1 1 5 1973 1 1 18 LEU HD11 H -1.448 -1.290 4.195 1.00 . A A . 18 LEU HD11 1 1 5 1974 1 1 18 LEU HD12 H -1.250 -3.012 4.538 1.00 . A A . 18 LEU HD12 1 1 5 1975 1 1 18 LEU HD13 H -1.495 -2.464 2.882 1.00 . A A . 18 LEU HD13 1 1 5 1976 1 1 18 LEU HD21 H 2.116 -3.321 3.123 1.00 . A A . 18 LEU HD21 1 1 5 1977 1 1 18 LEU HD22 H 0.628 -3.696 2.252 1.00 . A A . 18 LEU HD22 1 1 5 1978 1 1 18 LEU HD23 H 0.805 -4.164 3.945 1.00 . A A . 18 LEU HD23 1 1 5 1979 1 1 18 LEU HG H 0.881 -1.818 4.601 1.00 . A A . 18 LEU HG 1 1 5 1980 1 1 18 LEU N N 2.849 -0.228 3.604 1.00 . A A . 18 LEU N 1 1 5 1981 1 1 18 LEU O O 2.375 1.577 1.572 1.00 . A A . 18 LEU O 1 1 5 1982 1 1 19 CYS C C 1.038 0.533 -1.932 1.00 . A A . 19 CYS C 1 1 5 1983 1 1 19 CYS CA C 2.273 0.780 -1.075 1.00 . A A . 19 CYS CA 1 1 5 1984 1 1 19 CYS CB C 3.555 0.560 -1.879 1.00 . A A . 19 CYS CB 1 1 5 1985 1 1 19 CYS H H 2.159 -1.047 -0.081 1.00 . A A . 19 CYS H 1 1 5 1986 1 1 19 CYS HA H 2.247 1.800 -0.721 1.00 . A A . 19 CYS HA 1 1 5 1987 1 1 19 CYS HB2 H 3.618 -0.477 -2.171 1.00 . A A . 19 CYS HB2 1 1 5 1988 1 1 19 CYS HB3 H 3.514 1.177 -2.764 1.00 . A A . 19 CYS HB3 1 1 5 1989 1 1 19 CYS N N 2.239 -0.078 0.073 1.00 . A A . 19 CYS N 1 1 5 1990 1 1 19 CYS O O 0.315 -0.460 -1.728 1.00 . A A . 19 CYS O 1 1 5 1991 1 1 19 CYS SG S 5.088 0.979 -0.975 1.00 . A A . 19 CYS SG 1 1 5 1992 1 1 20 CYS C C -0.065 0.714 -5.042 1.00 . A A . 20 CYS C 1 1 5 1993 1 1 20 CYS CA C -0.363 1.360 -3.701 1.00 . A A . 20 CYS CA 1 1 5 1994 1 1 20 CYS CB C -0.885 2.788 -3.906 1.00 . A A . 20 CYS CB 1 1 5 1995 1 1 20 CYS H H 1.480 2.106 -3.061 1.00 . A A . 20 CYS H 1 1 5 1996 1 1 20 CYS HA H -1.126 0.794 -3.189 1.00 . A A . 20 CYS HA 1 1 5 1997 1 1 20 CYS HB2 H -1.146 3.206 -2.945 1.00 . A A . 20 CYS HB2 1 1 5 1998 1 1 20 CYS HB3 H -0.097 3.386 -4.340 1.00 . A A . 20 CYS HB3 1 1 5 1999 1 1 20 CYS N N 0.811 1.400 -2.875 1.00 . A A . 20 CYS N 1 1 5 2000 1 1 20 CYS O O 0.780 1.194 -5.801 1.00 . A A . 20 CYS O 1 1 5 2001 1 1 20 CYS SG S -2.358 2.945 -4.977 1.00 . A A . 20 CYS SG 1 1 5 2002 1 1 21 VAL C C -2.072 -1.393 -7.049 1.00 . A A . 21 VAL C 1 1 5 2003 1 1 21 VAL CA C -0.648 -1.087 -6.584 1.00 . A A . 21 VAL CA 1 1 5 2004 1 1 21 VAL CB C 0.192 -2.410 -6.469 1.00 . A A . 21 VAL CB 1 1 5 2005 1 1 21 VAL CG1 C 1.651 -2.100 -6.199 1.00 . A A . 21 VAL CG1 1 1 5 2006 1 1 21 VAL CG2 C -0.348 -3.335 -5.381 1.00 . A A . 21 VAL CG2 1 1 5 2007 1 1 21 VAL H H -1.318 -0.763 -4.612 1.00 . A A . 21 VAL H 1 1 5 2008 1 1 21 VAL HA H -0.185 -0.419 -7.296 1.00 . A A . 21 VAL HA 1 1 5 2009 1 1 21 VAL HB H 0.131 -2.923 -7.418 1.00 . A A . 21 VAL HB 1 1 5 2010 1 1 21 VAL HG11 H 1.732 -1.519 -5.293 1.00 . A A . 21 VAL HG11 1 1 5 2011 1 1 21 VAL HG12 H 2.063 -1.543 -7.028 1.00 . A A . 21 VAL HG12 1 1 5 2012 1 1 21 VAL HG13 H 2.195 -3.025 -6.079 1.00 . A A . 21 VAL HG13 1 1 5 2013 1 1 21 VAL HG21 H 0.256 -4.229 -5.332 1.00 . A A . 21 VAL HG21 1 1 5 2014 1 1 21 VAL HG22 H -1.369 -3.601 -5.608 1.00 . A A . 21 VAL HG22 1 1 5 2015 1 1 21 VAL HG23 H -0.315 -2.824 -4.429 1.00 . A A . 21 VAL HG23 1 1 5 2016 1 1 21 VAL N N -0.734 -0.383 -5.309 1.00 . A A . 21 VAL N 1 1 5 2017 1 1 21 VAL O O -2.377 -2.457 -7.571 1.00 . A A . 21 VAL O 1 1 5 2018 1 1 22 GLY C C -5.036 -0.961 -5.830 1.00 . A A . 22 GLY C 1 1 5 2019 1 1 22 GLY CA C -4.359 -0.626 -7.115 1.00 . A A . 22 GLY CA 1 1 5 2020 1 1 22 GLY H H -2.639 0.410 -6.448 1.00 . A A . 22 GLY H 1 1 5 2021 1 1 22 GLY HA2 H -4.778 0.278 -7.529 1.00 . A A . 22 GLY HA2 1 1 5 2022 1 1 22 GLY HA3 H -4.486 -1.447 -7.802 1.00 . A A . 22 GLY HA3 1 1 5 2023 1 1 22 GLY N N -2.948 -0.439 -6.831 1.00 . A A . 22 GLY N 1 1 5 2024 1 1 22 GLY O O -6.085 -0.407 -5.471 1.00 . A A . 22 GLY O 1 1 5 2025 1 1 23 ILE C C -3.524 -1.928 -2.936 1.00 . A A . 23 ILE C 1 1 5 2026 1 1 23 ILE CA C -4.748 -2.198 -3.792 1.00 . A A . 23 ILE CA 1 1 5 2027 1 1 23 ILE CB C -5.140 -3.702 -3.665 1.00 . A A . 23 ILE CB 1 1 5 2028 1 1 23 ILE CD1 C -4.249 -6.103 -3.949 1.00 . A A . 23 ILE CD1 1 1 5 2029 1 1 23 ILE CG1 C -3.985 -4.620 -4.134 1.00 . A A . 23 ILE CG1 1 1 5 2030 1 1 23 ILE CG2 C -6.416 -3.988 -4.447 1.00 . A A . 23 ILE CG2 1 1 5 2031 1 1 23 ILE H H -3.623 -2.264 -5.554 1.00 . A A . 23 ILE H 1 1 5 2032 1 1 23 ILE HA H -5.567 -1.574 -3.464 1.00 . A A . 23 ILE HA 1 1 5 2033 1 1 23 ILE HB H -5.344 -3.901 -2.622 1.00 . A A . 23 ILE HB 1 1 5 2034 1 1 23 ILE HD11 H -5.133 -6.380 -4.504 1.00 . A A . 23 ILE HD11 1 1 5 2035 1 1 23 ILE HD12 H -4.396 -6.318 -2.902 1.00 . A A . 23 ILE HD12 1 1 5 2036 1 1 23 ILE HD13 H -3.403 -6.665 -4.317 1.00 . A A . 23 ILE HD13 1 1 5 2037 1 1 23 ILE HG12 H -3.807 -4.449 -5.184 1.00 . A A . 23 ILE HG12 1 1 5 2038 1 1 23 ILE HG13 H -3.093 -4.367 -3.580 1.00 . A A . 23 ILE HG13 1 1 5 2039 1 1 23 ILE HG21 H -7.223 -3.388 -4.053 1.00 . A A . 23 ILE HG21 1 1 5 2040 1 1 23 ILE HG22 H -6.666 -5.035 -4.358 1.00 . A A . 23 ILE HG22 1 1 5 2041 1 1 23 ILE HG23 H -6.261 -3.744 -5.487 1.00 . A A . 23 ILE HG23 1 1 5 2042 1 1 23 ILE N N -4.400 -1.838 -5.129 1.00 . A A . 23 ILE N 1 1 5 2043 1 1 23 ILE O O -2.415 -1.776 -3.476 1.00 . A A . 23 ILE O 1 1 5 2044 1 1 24 CYS C C -1.921 -2.998 -0.562 1.00 . A A . 24 CYS C 1 1 5 2045 1 1 24 CYS CA C -2.574 -1.654 -0.781 1.00 . A A . 24 CYS CA 1 1 5 2046 1 1 24 CYS CB C -2.988 -1.018 0.532 1.00 . A A . 24 CYS CB 1 1 5 2047 1 1 24 CYS H H -4.615 -1.811 -1.300 1.00 . A A . 24 CYS H 1 1 5 2048 1 1 24 CYS HA H -1.864 -1.012 -1.282 1.00 . A A . 24 CYS HA 1 1 5 2049 1 1 24 CYS HB2 H -3.741 -1.636 1.000 1.00 . A A . 24 CYS HB2 1 1 5 2050 1 1 24 CYS HB3 H -2.127 -0.959 1.180 1.00 . A A . 24 CYS HB3 1 1 5 2051 1 1 24 CYS N N -3.699 -1.812 -1.663 1.00 . A A . 24 CYS N 1 1 5 2052 1 1 24 CYS O O -2.577 -3.966 -0.138 1.00 . A A . 24 CYS O 1 1 5 2053 1 1 24 CYS SG S -3.658 0.660 0.338 1.00 . A A . 24 CYS SG 1 1 5 2054 1 1 25 ALA C C 1.520 -3.982 -0.455 1.00 . A A . 25 ALA C 1 1 5 2055 1 1 25 ALA CA C 0.087 -4.297 -0.801 1.00 . A A . 25 ALA CA 1 1 5 2056 1 1 25 ALA CB C 0.015 -5.051 -2.121 1.00 . A A . 25 ALA CB 1 1 5 2057 1 1 25 ALA H H -0.198 -2.261 -1.199 1.00 . A A . 25 ALA H 1 1 5 2058 1 1 25 ALA HA H -0.346 -4.913 -0.027 1.00 . A A . 25 ALA HA 1 1 5 2059 1 1 25 ALA HB1 H 0.432 -4.435 -2.905 1.00 . A A . 25 ALA HB1 1 1 5 2060 1 1 25 ALA HB2 H -1.015 -5.278 -2.351 1.00 . A A . 25 ALA HB2 1 1 5 2061 1 1 25 ALA HB3 H 0.580 -5.968 -2.048 1.00 . A A . 25 ALA HB3 1 1 5 2062 1 1 25 ALA N N -0.661 -3.075 -0.889 1.00 . A A . 25 ALA N 1 1 5 2063 1 1 25 ALA O O 1.929 -2.815 -0.490 1.00 . A A . 25 ALA O 1 1 5 2064 1 1 26 LYS C C 4.478 -4.991 -1.036 1.00 . A A . 26 LYS C 1 1 5 2065 1 1 26 LYS CA C 3.652 -4.839 0.230 1.00 . A A . 26 LYS CA 1 1 5 2066 1 1 26 LYS CB C 4.064 -5.904 1.252 1.00 . A A . 26 LYS CB 1 1 5 2067 1 1 26 LYS CD C 5.891 -6.959 2.658 1.00 . A A . 26 LYS CD 1 1 5 2068 1 1 26 LYS CE C 5.738 -8.337 2.019 1.00 . A A . 26 LYS CE 1 1 5 2069 1 1 26 LYS CG C 5.525 -5.833 1.692 1.00 . A A . 26 LYS CG 1 1 5 2070 1 1 26 LYS H H 1.880 -5.896 -0.091 1.00 . A A . 26 LYS H 1 1 5 2071 1 1 26 LYS HA H 3.805 -3.858 0.654 1.00 . A A . 26 LYS HA 1 1 5 2072 1 1 26 LYS HB2 H 3.440 -5.806 2.128 1.00 . A A . 26 LYS HB2 1 1 5 2073 1 1 26 LYS HB3 H 3.890 -6.873 0.808 1.00 . A A . 26 LYS HB3 1 1 5 2074 1 1 26 LYS HD2 H 6.917 -6.833 2.969 1.00 . A A . 26 LYS HD2 1 1 5 2075 1 1 26 LYS HD3 H 5.247 -6.900 3.524 1.00 . A A . 26 LYS HD3 1 1 5 2076 1 1 26 LYS HE2 H 4.701 -8.494 1.759 1.00 . A A . 26 LYS HE2 1 1 5 2077 1 1 26 LYS HE3 H 6.342 -8.376 1.125 1.00 . A A . 26 LYS HE3 1 1 5 2078 1 1 26 LYS HG2 H 6.156 -5.905 0.818 1.00 . A A . 26 LYS HG2 1 1 5 2079 1 1 26 LYS HG3 H 5.695 -4.883 2.177 1.00 . A A . 26 LYS HG3 1 1 5 2080 1 1 26 LYS HZ1 H 6.043 -10.351 2.477 1.00 . A A . 26 LYS HZ1 1 1 5 2081 1 1 26 LYS HZ2 H 5.606 -9.405 3.814 1.00 . A A . 26 LYS HZ2 1 1 5 2082 1 1 26 LYS HZ3 H 7.152 -9.307 3.195 1.00 . A A . 26 LYS HZ3 1 1 5 2083 1 1 26 LYS N N 2.264 -4.992 -0.104 1.00 . A A . 26 LYS N 1 1 5 2084 1 1 26 LYS NZ N 6.154 -9.422 2.929 1.00 . A A . 26 LYS NZ 1 1 5 2085 1 1 26 LYS O O 4.293 -5.951 -1.801 1.00 . A A . 26 LYS O 1 1 5 2086 1 1 27 THR C C 7.639 -4.368 -1.970 1.00 . A A . 27 THR C 1 1 5 2087 1 1 27 THR CA C 6.202 -4.122 -2.417 1.00 . A A . 27 THR CA 1 1 5 2088 1 1 27 THR CB C 6.080 -2.824 -3.245 1.00 . A A . 27 THR CB 1 1 5 2089 1 1 27 THR CG2 C 4.746 -2.766 -3.973 1.00 . A A . 27 THR CG2 1 1 5 2090 1 1 27 THR H H 5.458 -3.301 -0.673 1.00 . A A . 27 THR H 1 1 5 2091 1 1 27 THR HA H 5.880 -4.956 -3.023 1.00 . A A . 27 THR HA 1 1 5 2092 1 1 27 THR HB H 6.879 -2.805 -3.972 1.00 . A A . 27 THR HB 1 1 5 2093 1 1 27 THR HG1 H 7.142 -1.493 -2.273 1.00 . A A . 27 THR HG1 1 1 5 2094 1 1 27 THR HG21 H 3.943 -2.823 -3.253 1.00 . A A . 27 THR HG21 1 1 5 2095 1 1 27 THR HG22 H 4.675 -3.591 -4.665 1.00 . A A . 27 THR HG22 1 1 5 2096 1 1 27 THR HG23 H 4.673 -1.836 -4.518 1.00 . A A . 27 THR HG23 1 1 5 2097 1 1 27 THR N N 5.347 -4.069 -1.275 1.00 . A A . 27 THR N 1 1 5 2098 1 1 27 THR O O 7.992 -4.065 -0.820 1.00 . A A . 27 THR O 1 1 5 2099 1 1 27 THR OG1 O 6.196 -1.678 -2.387 1.00 . A A . 27 THR OG1 1 1 5 2100 1 1 28 ILE C C 10.569 -3.892 -2.382 1.00 . A A . 28 ILE C 1 1 5 2101 1 1 28 ILE CA C 9.844 -5.227 -2.524 1.00 . A A . 28 ILE CA 1 1 5 2102 1 1 28 ILE CB C 10.525 -6.093 -3.625 1.00 . A A . 28 ILE CB 1 1 5 2103 1 1 28 ILE CD1 C 10.267 -8.273 -4.957 1.00 . A A . 28 ILE CD1 1 1 5 2104 1 1 28 ILE CG1 C 9.740 -7.400 -3.833 1.00 . A A . 28 ILE CG1 1 1 5 2105 1 1 28 ILE CG2 C 11.975 -6.403 -3.241 1.00 . A A . 28 ILE CG2 1 1 5 2106 1 1 28 ILE H H 8.093 -5.237 -3.713 1.00 . A A . 28 ILE H 1 1 5 2107 1 1 28 ILE HA H 9.882 -5.748 -1.579 1.00 . A A . 28 ILE HA 1 1 5 2108 1 1 28 ILE HB H 10.529 -5.534 -4.548 1.00 . A A . 28 ILE HB 1 1 5 2109 1 1 28 ILE HD11 H 11.290 -8.549 -4.749 1.00 . A A . 28 ILE HD11 1 1 5 2110 1 1 28 ILE HD12 H 10.224 -7.726 -5.887 1.00 . A A . 28 ILE HD12 1 1 5 2111 1 1 28 ILE HD13 H 9.662 -9.164 -5.035 1.00 . A A . 28 ILE HD13 1 1 5 2112 1 1 28 ILE HG12 H 9.784 -7.982 -2.925 1.00 . A A . 28 ILE HG12 1 1 5 2113 1 1 28 ILE HG13 H 8.709 -7.163 -4.048 1.00 . A A . 28 ILE HG13 1 1 5 2114 1 1 28 ILE HG21 H 11.989 -6.962 -2.318 1.00 . A A . 28 ILE HG21 1 1 5 2115 1 1 28 ILE HG22 H 12.518 -5.478 -3.104 1.00 . A A . 28 ILE HG22 1 1 5 2116 1 1 28 ILE HG23 H 12.441 -6.984 -4.023 1.00 . A A . 28 ILE HG23 1 1 5 2117 1 1 28 ILE N N 8.445 -4.962 -2.838 1.00 . A A . 28 ILE N 1 1 5 2118 1 1 28 ILE O O 11.356 -3.674 -1.445 1.00 . A A . 28 ILE O 1 1 5 2119 1 1 29 ALA C C 9.869 -0.807 -2.407 1.00 . A A . 29 ALA C 1 1 5 2120 1 1 29 ALA CA C 10.787 -1.667 -3.263 1.00 . A A . 29 ALA CA 1 1 5 2121 1 1 29 ALA CB C 10.862 -1.112 -4.669 1.00 . A A . 29 ALA CB 1 1 5 2122 1 1 29 ALA H H 9.675 -3.266 -4.023 1.00 . A A . 29 ALA H 1 1 5 2123 1 1 29 ALA HA H 11.778 -1.683 -2.835 1.00 . A A . 29 ALA HA 1 1 5 2124 1 1 29 ALA HB1 H 9.872 -1.094 -5.099 1.00 . A A . 29 ALA HB1 1 1 5 2125 1 1 29 ALA HB2 H 11.503 -1.740 -5.269 1.00 . A A . 29 ALA HB2 1 1 5 2126 1 1 29 ALA HB3 H 11.259 -0.109 -4.635 1.00 . A A . 29 ALA HB3 1 1 5 2127 1 1 29 ALA N N 10.273 -3.005 -3.291 1.00 . A A . 29 ALA N 1 1 5 2128 1 1 29 ALA O O 8.658 -0.819 -2.604 1.00 . A A . 29 ALA O 1 1 5 2129 1 1 30 PRO C C 9.252 2.082 -1.241 1.00 . A A . 30 PRO C 1 1 5 2130 1 1 30 PRO CA C 9.608 0.757 -0.561 1.00 . A A . 30 PRO CA 1 1 5 2131 1 1 30 PRO CB C 10.528 0.991 0.630 1.00 . A A . 30 PRO CB 1 1 5 2132 1 1 30 PRO CD C 11.839 -0.050 -1.086 1.00 . A A . 30 PRO CD 1 1 5 2133 1 1 30 PRO CG C 11.899 0.935 0.050 1.00 . A A . 30 PRO CG 1 1 5 2134 1 1 30 PRO HA H 8.704 0.258 -0.241 1.00 . A A . 30 PRO HA 1 1 5 2135 1 1 30 PRO HB2 H 10.315 1.955 1.066 1.00 . A A . 30 PRO HB2 1 1 5 2136 1 1 30 PRO HB3 H 10.381 0.214 1.366 1.00 . A A . 30 PRO HB3 1 1 5 2137 1 1 30 PRO HD2 H 12.423 0.306 -1.921 1.00 . A A . 30 PRO HD2 1 1 5 2138 1 1 30 PRO HD3 H 12.187 -1.022 -0.771 1.00 . A A . 30 PRO HD3 1 1 5 2139 1 1 30 PRO HG2 H 12.163 1.912 -0.325 1.00 . A A . 30 PRO HG2 1 1 5 2140 1 1 30 PRO HG3 H 12.614 0.615 0.791 1.00 . A A . 30 PRO HG3 1 1 5 2141 1 1 30 PRO N N 10.407 -0.093 -1.431 1.00 . A A . 30 PRO N 1 1 5 2142 1 1 30 PRO O O 10.058 2.649 -1.992 1.00 . A A . 30 PRO O 1 1 5 2143 1 1 31 CYS C C 7.672 4.930 -0.565 1.00 . A A . 31 CYS C 1 1 5 2144 1 1 31 CYS CA C 7.604 3.800 -1.587 1.00 . A A . 31 CYS CA 1 1 5 2145 1 1 31 CYS CB C 6.170 3.614 -2.089 1.00 . A A . 31 CYS CB 1 1 5 2146 1 1 31 CYS H H 7.454 2.075 -0.392 1.00 . A A . 31 CYS H 1 1 5 2147 1 1 31 CYS HA H 8.241 4.035 -2.426 1.00 . A A . 31 CYS HA 1 1 5 2148 1 1 31 CYS HB2 H 5.794 4.561 -2.447 1.00 . A A . 31 CYS HB2 1 1 5 2149 1 1 31 CYS HB3 H 6.168 2.900 -2.899 1.00 . A A . 31 CYS HB3 1 1 5 2150 1 1 31 CYS N N 8.066 2.561 -0.993 1.00 . A A . 31 CYS N 1 1 5 2151 1 1 31 CYS O O 7.491 6.118 -0.887 1.00 . A A . 31 CYS O 1 1 5 2152 1 1 31 CYS SG S 5.017 3.004 -0.803 1.00 . A A . 31 CYS SG 1 1 5 2153 1 1 32 LYS C C 9.415 5.593 2.238 1.00 . A A . 32 LYS C 1 1 5 2154 1 1 32 LYS CA C 7.993 5.500 1.733 1.00 . A A . 32 LYS CA 1 1 5 2155 1 1 32 LYS CB C 7.034 5.081 2.852 1.00 . A A . 32 LYS CB 1 1 5 2156 1 1 32 LYS CD C 4.663 4.600 3.524 1.00 . A A . 32 LYS CD 1 1 5 2157 1 1 32 LYS CE C 3.227 4.427 3.047 1.00 . A A . 32 LYS CE 1 1 5 2158 1 1 32 LYS CG C 5.597 4.891 2.377 1.00 . A A . 32 LYS CG 1 1 5 2159 1 1 32 LYS H H 8.117 3.618 0.859 1.00 . A A . 32 LYS H 1 1 5 2160 1 1 32 LYS HA H 7.688 6.463 1.351 1.00 . A A . 32 LYS HA 1 1 5 2161 1 1 32 LYS HB2 H 7.381 4.150 3.273 1.00 . A A . 32 LYS HB2 1 1 5 2162 1 1 32 LYS HB3 H 7.040 5.841 3.620 1.00 . A A . 32 LYS HB3 1 1 5 2163 1 1 32 LYS HD2 H 4.982 3.693 4.017 1.00 . A A . 32 LYS HD2 1 1 5 2164 1 1 32 LYS HD3 H 4.712 5.425 4.217 1.00 . A A . 32 LYS HD3 1 1 5 2165 1 1 32 LYS HE2 H 2.948 5.292 2.465 1.00 . A A . 32 LYS HE2 1 1 5 2166 1 1 32 LYS HE3 H 3.169 3.545 2.427 1.00 . A A . 32 LYS HE3 1 1 5 2167 1 1 32 LYS HG2 H 5.267 5.790 1.877 1.00 . A A . 32 LYS HG2 1 1 5 2168 1 1 32 LYS HG3 H 5.569 4.066 1.679 1.00 . A A . 32 LYS HG3 1 1 5 2169 1 1 32 LYS HZ1 H 2.609 3.522 4.813 1.00 . A A . 32 LYS HZ1 1 1 5 2170 1 1 32 LYS HZ2 H 1.319 4.066 3.874 1.00 . A A . 32 LYS HZ2 1 1 5 2171 1 1 32 LYS HZ3 H 2.243 5.159 4.744 1.00 . A A . 32 LYS HZ3 1 1 5 2172 1 1 32 LYS N N 7.937 4.562 0.662 1.00 . A A . 32 LYS N 1 1 5 2173 1 1 32 LYS NZ N 2.291 4.285 4.180 1.00 . A A . 32 LYS NZ 1 1 5 2174 1 1 32 LYS O O 10.118 6.556 1.894 1.00 . A A . 32 LYS O 1 1 5 2175 1 1 32 LYS OXT O 9.866 4.677 2.937 1.00 . A A . 32 LYS OXT 1 1 6 2176 1 1 1 CYS C C -6.342 3.214 5.602 1.00 . A A . 1 CYS C 1 1 6 2177 1 1 1 CYS CA C -5.854 4.600 6.013 1.00 . A A . 1 CYS CA 1 1 6 2178 1 1 1 CYS CB C -4.326 4.625 6.249 1.00 . A A . 1 CYS CB 1 1 6 2179 1 1 1 CYS H1 H -7.581 5.126 6.984 1.00 . A A . 1 CYS H1 1 1 6 2180 1 1 1 CYS H2 H -6.211 5.986 7.525 1.00 . A A . 1 CYS H2 1 1 6 2181 1 1 1 CYS H3 H -6.440 4.374 7.951 1.00 . A A . 1 CYS H3 1 1 6 2182 1 1 1 CYS HA H -6.093 5.277 5.209 1.00 . A A . 1 CYS HA 1 1 6 2183 1 1 1 CYS HB2 H -3.843 4.138 5.414 1.00 . A A . 1 CYS HB2 1 1 6 2184 1 1 1 CYS HB3 H -3.991 5.650 6.288 1.00 . A A . 1 CYS HB3 1 1 6 2185 1 1 1 CYS N N -6.564 5.067 7.188 1.00 . A A . 1 CYS N 1 1 6 2186 1 1 1 CYS O O -7.111 2.562 6.341 1.00 . A A . 1 CYS O 1 1 6 2187 1 1 1 CYS SG S -3.736 3.783 7.766 1.00 . A A . 1 CYS SG 1 1 6 2188 1 1 2 ALA C C -5.249 0.440 4.242 1.00 . A A . 2 ALA C 1 1 6 2189 1 1 2 ALA CA C -6.315 1.481 3.908 1.00 . A A . 2 ALA CA 1 1 6 2190 1 1 2 ALA CB C -6.529 1.567 2.410 1.00 . A A . 2 ALA CB 1 1 6 2191 1 1 2 ALA H H -5.366 3.348 3.865 1.00 . A A . 2 ALA H 1 1 6 2192 1 1 2 ALA HA H -7.245 1.189 4.371 1.00 . A A . 2 ALA HA 1 1 6 2193 1 1 2 ALA HB1 H -6.855 0.610 2.031 1.00 . A A . 2 ALA HB1 1 1 6 2194 1 1 2 ALA HB2 H -5.604 1.849 1.930 1.00 . A A . 2 ALA HB2 1 1 6 2195 1 1 2 ALA HB3 H -7.284 2.310 2.203 1.00 . A A . 2 ALA HB3 1 1 6 2196 1 1 2 ALA N N -5.940 2.777 4.425 1.00 . A A . 2 ALA N 1 1 6 2197 1 1 2 ALA O O -4.047 0.721 4.183 1.00 . A A . 2 ALA O 1 1 6 2198 1 1 3 VAL C C -4.495 -2.719 3.770 1.00 . A A . 3 VAL C 1 1 6 2199 1 1 3 VAL CA C -4.794 -1.826 4.980 1.00 . A A . 3 VAL CA 1 1 6 2200 1 1 3 VAL CB C -5.397 -2.682 6.121 1.00 . A A . 3 VAL CB 1 1 6 2201 1 1 3 VAL CG1 C -5.628 -1.836 7.365 1.00 . A A . 3 VAL CG1 1 1 6 2202 1 1 3 VAL CG2 C -6.688 -3.356 5.669 1.00 . A A . 3 VAL CG2 1 1 6 2203 1 1 3 VAL H H -6.662 -0.880 4.605 1.00 . A A . 3 VAL H 1 1 6 2204 1 1 3 VAL HA H -3.867 -1.390 5.323 1.00 . A A . 3 VAL HA 1 1 6 2205 1 1 3 VAL HB H -4.680 -3.448 6.376 1.00 . A A . 3 VAL HB 1 1 6 2206 1 1 3 VAL HG11 H -6.060 -2.449 8.143 1.00 . A A . 3 VAL HG11 1 1 6 2207 1 1 3 VAL HG12 H -6.298 -1.024 7.129 1.00 . A A . 3 VAL HG12 1 1 6 2208 1 1 3 VAL HG13 H -4.686 -1.435 7.708 1.00 . A A . 3 VAL HG13 1 1 6 2209 1 1 3 VAL HG21 H -7.387 -2.595 5.348 1.00 . A A . 3 VAL HG21 1 1 6 2210 1 1 3 VAL HG22 H -7.115 -3.934 6.474 1.00 . A A . 3 VAL HG22 1 1 6 2211 1 1 3 VAL HG23 H -6.471 -4.001 4.830 1.00 . A A . 3 VAL HG23 1 1 6 2212 1 1 3 VAL N N -5.685 -0.733 4.604 1.00 . A A . 3 VAL N 1 1 6 2213 1 1 3 VAL O O -4.919 -2.413 2.645 1.00 . A A . 3 VAL O 1 1 6 2214 1 1 4 THR C C -4.701 -5.316 2.300 1.00 . A A . 4 THR C 1 1 6 2215 1 1 4 THR CA C -3.424 -4.719 2.921 1.00 . A A . 4 THR CA 1 1 6 2216 1 1 4 THR CB C -2.496 -5.862 3.425 1.00 . A A . 4 THR CB 1 1 6 2217 1 1 4 THR CG2 C -1.996 -6.708 2.262 1.00 . A A . 4 THR CG2 1 1 6 2218 1 1 4 THR H H -3.493 -4.031 4.908 1.00 . A A . 4 THR H 1 1 6 2219 1 1 4 THR HA H -2.903 -4.151 2.163 1.00 . A A . 4 THR HA 1 1 6 2220 1 1 4 THR HB H -3.048 -6.491 4.106 1.00 . A A . 4 THR HB 1 1 6 2221 1 1 4 THR HG1 H -1.667 -4.994 4.966 1.00 . A A . 4 THR HG1 1 1 6 2222 1 1 4 THR HG21 H -1.436 -6.084 1.579 1.00 . A A . 4 THR HG21 1 1 6 2223 1 1 4 THR HG22 H -2.840 -7.139 1.743 1.00 . A A . 4 THR HG22 1 1 6 2224 1 1 4 THR HG23 H -1.361 -7.497 2.633 1.00 . A A . 4 THR HG23 1 1 6 2225 1 1 4 THR N N -3.772 -3.811 3.993 1.00 . A A . 4 THR N 1 1 6 2226 1 1 4 THR O O -5.610 -5.753 3.024 1.00 . A A . 4 THR O 1 1 6 2227 1 1 4 THR OG1 O -1.360 -5.300 4.104 1.00 . A A . 4 THR OG1 1 1 6 2228 1 1 5 HIS C C -7.053 -4.819 -0.001 1.00 . A A . 5 HIS C 1 1 6 2229 1 1 5 HIS CA C -5.890 -5.790 0.150 1.00 . A A . 5 HIS CA 1 1 6 2230 1 1 5 HIS CB C -6.356 -7.211 0.554 1.00 . A A . 5 HIS CB 1 1 6 2231 1 1 5 HIS CD2 C -4.672 -8.680 -0.744 1.00 . A A . 5 HIS CD2 1 1 6 2232 1 1 5 HIS CE1 C -3.882 -9.850 0.897 1.00 . A A . 5 HIS CE1 1 1 6 2233 1 1 5 HIS CG C -5.305 -8.264 0.377 1.00 . A A . 5 HIS CG 1 1 6 2234 1 1 5 HIS H H -4.030 -4.812 0.500 1.00 . A A . 5 HIS H 1 1 6 2235 1 1 5 HIS HA H -5.465 -5.851 -0.843 1.00 . A A . 5 HIS HA 1 1 6 2236 1 1 5 HIS HB2 H -6.637 -7.202 1.597 1.00 . A A . 5 HIS HB2 1 1 6 2237 1 1 5 HIS HB3 H -7.214 -7.486 -0.042 1.00 . A A . 5 HIS HB3 1 1 6 2238 1 1 5 HIS HD1 H -5.052 -8.986 2.350 1.00 . A A . 5 HIS HD1 1 1 6 2239 1 1 5 HIS HD2 H -4.836 -8.302 -1.741 1.00 . A A . 5 HIS HD2 1 1 6 2240 1 1 5 HIS HE1 H -3.316 -10.564 1.475 1.00 . A A . 5 HIS HE1 1 1 6 2241 1 1 5 HIS N N -4.774 -5.258 0.966 1.00 . A A . 5 HIS N 1 1 6 2242 1 1 5 HIS ND1 N -4.790 -9.022 1.404 1.00 . A A . 5 HIS ND1 1 1 6 2243 1 1 5 HIS NE2 N -3.768 -9.686 -0.412 1.00 . A A . 5 HIS NE2 1 1 6 2244 1 1 5 HIS O O -8.053 -5.131 -0.669 1.00 . A A . 5 HIS O 1 1 6 2245 1 1 6 GLU C C -7.441 -1.794 -0.801 1.00 . A A . 6 GLU C 1 1 6 2246 1 1 6 GLU CA C -7.911 -2.607 0.387 1.00 . A A . 6 GLU CA 1 1 6 2247 1 1 6 GLU CB C -8.089 -1.692 1.603 1.00 . A A . 6 GLU CB 1 1 6 2248 1 1 6 GLU CD C -9.210 -1.251 3.780 1.00 . A A . 6 GLU CD 1 1 6 2249 1 1 6 GLU CG C -8.811 -2.302 2.772 1.00 . A A . 6 GLU CG 1 1 6 2250 1 1 6 GLU H H -6.201 -3.489 1.234 1.00 . A A . 6 GLU H 1 1 6 2251 1 1 6 GLU HA H -8.852 -3.073 0.134 1.00 . A A . 6 GLU HA 1 1 6 2252 1 1 6 GLU HB2 H -7.109 -1.454 1.990 1.00 . A A . 6 GLU HB2 1 1 6 2253 1 1 6 GLU HB3 H -8.604 -0.790 1.310 1.00 . A A . 6 GLU HB3 1 1 6 2254 1 1 6 GLU HG2 H -9.700 -2.800 2.412 1.00 . A A . 6 GLU HG2 1 1 6 2255 1 1 6 GLU HG3 H -8.164 -3.020 3.253 1.00 . A A . 6 GLU HG3 1 1 6 2256 1 1 6 GLU N N -6.947 -3.662 0.619 1.00 . A A . 6 GLU N 1 1 6 2257 1 1 6 GLU O O -6.240 -1.774 -1.093 1.00 . A A . 6 GLU O 1 1 6 2258 1 1 6 GLU OE1 O -10.370 -0.798 3.750 1.00 . A A . 6 GLU OE1 1 1 6 2259 1 1 6 GLU OE2 O -8.385 -0.841 4.612 1.00 . A A . 6 GLU OE2 1 1 6 2260 1 1 7 LYS C C -7.282 0.922 -2.212 1.00 . A A . 7 LYS C 1 1 6 2261 1 1 7 LYS CA C -8.005 -0.350 -2.657 1.00 . A A . 7 LYS CA 1 1 6 2262 1 1 7 LYS CB C -9.246 -0.022 -3.499 1.00 . A A . 7 LYS CB 1 1 6 2263 1 1 7 LYS CD C -11.524 0.994 -3.636 1.00 . A A . 7 LYS CD 1 1 6 2264 1 1 7 LYS CE C -12.585 1.783 -2.898 1.00 . A A . 7 LYS CE 1 1 6 2265 1 1 7 LYS CG C -10.310 0.767 -2.766 1.00 . A A . 7 LYS CG 1 1 6 2266 1 1 7 LYS H H -9.295 -1.221 -1.208 1.00 . A A . 7 LYS H 1 1 6 2267 1 1 7 LYS HA H -7.319 -0.936 -3.249 1.00 . A A . 7 LYS HA 1 1 6 2268 1 1 7 LYS HB2 H -8.939 0.554 -4.359 1.00 . A A . 7 LYS HB2 1 1 6 2269 1 1 7 LYS HB3 H -9.686 -0.947 -3.841 1.00 . A A . 7 LYS HB3 1 1 6 2270 1 1 7 LYS HD2 H -11.230 1.538 -4.520 1.00 . A A . 7 LYS HD2 1 1 6 2271 1 1 7 LYS HD3 H -11.933 0.035 -3.921 1.00 . A A . 7 LYS HD3 1 1 6 2272 1 1 7 LYS HE2 H -12.892 1.227 -2.025 1.00 . A A . 7 LYS HE2 1 1 6 2273 1 1 7 LYS HE3 H -12.159 2.725 -2.589 1.00 . A A . 7 LYS HE3 1 1 6 2274 1 1 7 LYS HG2 H -10.601 0.218 -1.886 1.00 . A A . 7 LYS HG2 1 1 6 2275 1 1 7 LYS HG3 H -9.897 1.722 -2.476 1.00 . A A . 7 LYS HG3 1 1 6 2276 1 1 7 LYS HZ1 H -13.511 2.586 -4.589 1.00 . A A . 7 LYS HZ1 1 1 6 2277 1 1 7 LYS HZ2 H -14.462 2.599 -3.200 1.00 . A A . 7 LYS HZ2 1 1 6 2278 1 1 7 LYS HZ3 H -14.225 1.155 -4.035 1.00 . A A . 7 LYS HZ3 1 1 6 2279 1 1 7 LYS N N -8.359 -1.156 -1.495 1.00 . A A . 7 LYS N 1 1 6 2280 1 1 7 LYS NZ N -13.769 2.044 -3.740 1.00 . A A . 7 LYS NZ 1 1 6 2281 1 1 7 LYS O O -7.546 1.447 -1.122 1.00 . A A . 7 LYS O 1 1 6 2282 1 1 8 CYS C C -5.831 3.748 -3.554 1.00 . A A . 8 CYS C 1 1 6 2283 1 1 8 CYS CA C -5.593 2.555 -2.655 1.00 . A A . 8 CYS CA 1 1 6 2284 1 1 8 CYS CB C -4.119 2.177 -2.690 1.00 . A A . 8 CYS CB 1 1 6 2285 1 1 8 CYS H H -6.253 1.019 -3.918 1.00 . A A . 8 CYS H 1 1 6 2286 1 1 8 CYS HA H -5.840 2.822 -1.638 1.00 . A A . 8 CYS HA 1 1 6 2287 1 1 8 CYS HB2 H -3.525 3.055 -2.487 1.00 . A A . 8 CYS HB2 1 1 6 2288 1 1 8 CYS HB3 H -3.926 1.436 -1.929 1.00 . A A . 8 CYS HB3 1 1 6 2289 1 1 8 CYS N N -6.395 1.414 -3.031 1.00 . A A . 8 CYS N 1 1 6 2290 1 1 8 CYS O O -6.010 3.603 -4.775 1.00 . A A . 8 CYS O 1 1 6 2291 1 1 8 CYS SG S -3.561 1.492 -4.289 1.00 . A A . 8 CYS SG 1 1 6 2292 1 1 9 SER C C -4.537 6.701 -3.874 1.00 . A A . 9 SER C 1 1 6 2293 1 1 9 SER CA C -5.954 6.147 -3.699 1.00 . A A . 9 SER CA 1 1 6 2294 1 1 9 SER CB C -6.823 7.149 -2.937 1.00 . A A . 9 SER CB 1 1 6 2295 1 1 9 SER H H -5.884 4.954 -1.967 1.00 . A A . 9 SER H 1 1 6 2296 1 1 9 SER HA H -6.388 5.950 -4.666 1.00 . A A . 9 SER HA 1 1 6 2297 1 1 9 SER HB2 H -6.320 7.437 -2.024 1.00 . A A . 9 SER HB2 1 1 6 2298 1 1 9 SER HB3 H -6.990 8.022 -3.549 1.00 . A A . 9 SER HB3 1 1 6 2299 1 1 9 SER HG H -8.073 6.422 -1.650 1.00 . A A . 9 SER HG 1 1 6 2300 1 1 9 SER N N -5.875 4.914 -2.955 1.00 . A A . 9 SER N 1 1 6 2301 1 1 9 SER O O -4.221 7.382 -4.853 1.00 . A A . 9 SER O 1 1 6 2302 1 1 9 SER OG O -8.082 6.570 -2.606 1.00 . A A . 9 SER OG 1 1 6 2303 1 1 10 ASP C C -1.510 5.873 -2.046 1.00 . A A . 10 ASP C 1 1 6 2304 1 1 10 ASP CA C -2.310 6.822 -2.900 1.00 . A A . 10 ASP CA 1 1 6 2305 1 1 10 ASP CB C -2.247 8.243 -2.319 1.00 . A A . 10 ASP CB 1 1 6 2306 1 1 10 ASP CG C -0.847 8.795 -2.191 1.00 . A A . 10 ASP CG 1 1 6 2307 1 1 10 ASP H H -3.958 5.743 -2.219 1.00 . A A . 10 ASP H 1 1 6 2308 1 1 10 ASP HA H -1.925 6.827 -3.908 1.00 . A A . 10 ASP HA 1 1 6 2309 1 1 10 ASP HB2 H -2.810 8.908 -2.954 1.00 . A A . 10 ASP HB2 1 1 6 2310 1 1 10 ASP HB3 H -2.693 8.219 -1.336 1.00 . A A . 10 ASP HB3 1 1 6 2311 1 1 10 ASP N N -3.682 6.359 -2.933 1.00 . A A . 10 ASP N 1 1 6 2312 1 1 10 ASP O O -2.084 5.101 -1.289 1.00 . A A . 10 ASP O 1 1 6 2313 1 1 10 ASP OD1 O -0.243 9.156 -3.211 1.00 . A A . 10 ASP OD1 1 1 6 2314 1 1 10 ASP OD2 O -0.340 8.877 -1.054 1.00 . A A . 10 ASP OD2 1 1 6 2315 1 1 11 ASP C C 0.581 5.349 0.087 1.00 . A A . 11 ASP C 1 1 6 2316 1 1 11 ASP CA C 0.675 5.061 -1.393 1.00 . A A . 11 ASP CA 1 1 6 2317 1 1 11 ASP CB C 2.122 5.221 -1.854 1.00 . A A . 11 ASP CB 1 1 6 2318 1 1 11 ASP CG C 2.321 4.841 -3.295 1.00 . A A . 11 ASP CG 1 1 6 2319 1 1 11 ASP H H 0.152 6.620 -2.751 1.00 . A A . 11 ASP H 1 1 6 2320 1 1 11 ASP HA H 0.365 4.042 -1.570 1.00 . A A . 11 ASP HA 1 1 6 2321 1 1 11 ASP HB2 H 2.419 6.252 -1.732 1.00 . A A . 11 ASP HB2 1 1 6 2322 1 1 11 ASP HB3 H 2.758 4.596 -1.243 1.00 . A A . 11 ASP HB3 1 1 6 2323 1 1 11 ASP N N -0.214 5.938 -2.147 1.00 . A A . 11 ASP N 1 1 6 2324 1 1 11 ASP O O 0.543 4.441 0.911 1.00 . A A . 11 ASP O 1 1 6 2325 1 1 11 ASP OD1 O 2.339 5.743 -4.170 1.00 . A A . 11 ASP OD1 1 1 6 2326 1 1 11 ASP OD2 O 2.452 3.658 -3.592 1.00 . A A . 11 ASP OD2 1 1 6 2327 1 1 12 TYR C C -1.005 6.894 2.348 1.00 . A A . 12 TYR C 1 1 6 2328 1 1 12 TYR CA C 0.417 7.023 1.817 1.00 . A A . 12 TYR CA 1 1 6 2329 1 1 12 TYR CB C 0.984 8.435 1.995 1.00 . A A . 12 TYR CB 1 1 6 2330 1 1 12 TYR CD1 C 2.857 8.707 0.293 1.00 . A A . 12 TYR CD1 1 1 6 2331 1 1 12 TYR CD2 C 3.457 8.515 2.591 1.00 . A A . 12 TYR CD2 1 1 6 2332 1 1 12 TYR CE1 C 4.187 8.821 -0.054 1.00 . A A . 12 TYR CE1 1 1 6 2333 1 1 12 TYR CE2 C 4.797 8.628 2.248 1.00 . A A . 12 TYR CE2 1 1 6 2334 1 1 12 TYR CG C 2.463 8.552 1.619 1.00 . A A . 12 TYR CG 1 1 6 2335 1 1 12 TYR CZ C 5.153 8.782 0.923 1.00 . A A . 12 TYR CZ 1 1 6 2336 1 1 12 TYR H H 0.407 7.314 -0.262 1.00 . A A . 12 TYR H 1 1 6 2337 1 1 12 TYR HA H 1.031 6.324 2.369 1.00 . A A . 12 TYR HA 1 1 6 2338 1 1 12 TYR HB2 H 0.427 9.117 1.370 1.00 . A A . 12 TYR HB2 1 1 6 2339 1 1 12 TYR HB3 H 0.877 8.730 3.028 1.00 . A A . 12 TYR HB3 1 1 6 2340 1 1 12 TYR HD1 H 2.099 8.735 -0.475 1.00 . A A . 12 TYR HD1 1 1 6 2341 1 1 12 TYR HD2 H 3.175 8.394 3.626 1.00 . A A . 12 TYR HD2 1 1 6 2342 1 1 12 TYR HE1 H 4.468 8.940 -1.090 1.00 . A A . 12 TYR HE1 1 1 6 2343 1 1 12 TYR HE2 H 5.555 8.596 3.016 1.00 . A A . 12 TYR HE2 1 1 6 2344 1 1 12 TYR HH H 6.546 9.663 -0.023 1.00 . A A . 12 TYR HH 1 1 6 2345 1 1 12 TYR N N 0.475 6.614 0.429 1.00 . A A . 12 TYR N 1 1 6 2346 1 1 12 TYR O O -1.250 6.988 3.545 1.00 . A A . 12 TYR O 1 1 6 2347 1 1 12 TYR OH O 6.481 8.904 0.571 1.00 . A A . 12 TYR OH 1 1 6 2348 1 1 13 ASP C C -3.417 4.939 2.357 1.00 . A A . 13 ASP C 1 1 6 2349 1 1 13 ASP CA C -3.330 6.337 1.752 1.00 . A A . 13 ASP CA 1 1 6 2350 1 1 13 ASP CB C -4.181 6.468 0.468 1.00 . A A . 13 ASP CB 1 1 6 2351 1 1 13 ASP CG C -5.608 5.971 0.567 1.00 . A A . 13 ASP CG 1 1 6 2352 1 1 13 ASP H H -1.653 6.567 0.488 1.00 . A A . 13 ASP H 1 1 6 2353 1 1 13 ASP HA H -3.656 7.057 2.487 1.00 . A A . 13 ASP HA 1 1 6 2354 1 1 13 ASP HB2 H -4.225 7.511 0.191 1.00 . A A . 13 ASP HB2 1 1 6 2355 1 1 13 ASP HB3 H -3.683 5.927 -0.323 1.00 . A A . 13 ASP HB3 1 1 6 2356 1 1 13 ASP N N -1.926 6.612 1.430 1.00 . A A . 13 ASP N 1 1 6 2357 1 1 13 ASP O O -4.351 4.597 3.080 1.00 . A A . 13 ASP O 1 1 6 2358 1 1 13 ASP OD1 O -5.999 5.102 -0.239 1.00 . A A . 13 ASP OD1 1 1 6 2359 1 1 13 ASP OD2 O -6.373 6.462 1.405 1.00 . A A . 13 ASP OD2 1 1 6 2360 1 1 14 CYS C C -1.475 2.935 3.936 1.00 . A A . 14 CYS C 1 1 6 2361 1 1 14 CYS CA C -2.249 2.844 2.637 1.00 . A A . 14 CYS CA 1 1 6 2362 1 1 14 CYS CB C -1.490 1.973 1.659 1.00 . A A . 14 CYS CB 1 1 6 2363 1 1 14 CYS H H -1.690 4.502 1.501 1.00 . A A . 14 CYS H 1 1 6 2364 1 1 14 CYS HA H -3.228 2.420 2.812 1.00 . A A . 14 CYS HA 1 1 6 2365 1 1 14 CYS HB2 H -0.486 2.356 1.547 1.00 . A A . 14 CYS HB2 1 1 6 2366 1 1 14 CYS HB3 H -1.449 0.969 2.053 1.00 . A A . 14 CYS HB3 1 1 6 2367 1 1 14 CYS N N -2.394 4.165 2.093 1.00 . A A . 14 CYS N 1 1 6 2368 1 1 14 CYS O O -0.538 3.729 4.041 1.00 . A A . 14 CYS O 1 1 6 2369 1 1 14 CYS SG S -2.247 1.900 0.020 1.00 . A A . 14 CYS SG 1 1 6 2370 1 1 15 CYS C C 0.171 1.538 6.165 1.00 . A A . 15 CYS C 1 1 6 2371 1 1 15 CYS CA C -1.244 2.124 6.223 1.00 . A A . 15 CYS CA 1 1 6 2372 1 1 15 CYS CB C -2.093 1.276 7.171 1.00 . A A . 15 CYS CB 1 1 6 2373 1 1 15 CYS H H -2.625 1.535 4.740 1.00 . A A . 15 CYS H 1 1 6 2374 1 1 15 CYS HA H -1.207 3.132 6.607 1.00 . A A . 15 CYS HA 1 1 6 2375 1 1 15 CYS HB2 H -2.099 0.259 6.807 1.00 . A A . 15 CYS HB2 1 1 6 2376 1 1 15 CYS HB3 H -1.648 1.301 8.154 1.00 . A A . 15 CYS HB3 1 1 6 2377 1 1 15 CYS N N -1.868 2.145 4.905 1.00 . A A . 15 CYS N 1 1 6 2378 1 1 15 CYS O O 0.521 0.822 5.216 1.00 . A A . 15 CYS O 1 1 6 2379 1 1 15 CYS SG S -3.834 1.805 7.327 1.00 . A A . 15 CYS SG 1 1 6 2380 1 1 16 GLY C C 3.212 1.609 6.105 1.00 . A A . 16 GLY C 1 1 6 2381 1 1 16 GLY CA C 2.316 1.316 7.286 1.00 . A A . 16 GLY CA 1 1 6 2382 1 1 16 GLY H H 0.693 2.526 7.829 1.00 . A A . 16 GLY H 1 1 6 2383 1 1 16 GLY HA2 H 2.778 1.717 8.176 1.00 . A A . 16 GLY HA2 1 1 6 2384 1 1 16 GLY HA3 H 2.228 0.245 7.398 1.00 . A A . 16 GLY HA3 1 1 6 2385 1 1 16 GLY N N 0.983 1.871 7.161 1.00 . A A . 16 GLY N 1 1 6 2386 1 1 16 GLY O O 3.196 2.708 5.556 1.00 . A A . 16 GLY O 1 1 6 2387 1 1 17 SER C C 4.290 0.195 3.301 1.00 . A A . 17 SER C 1 1 6 2388 1 1 17 SER CA C 4.890 0.721 4.608 1.00 . A A . 17 SER CA 1 1 6 2389 1 1 17 SER CB C 6.130 -0.067 4.986 1.00 . A A . 17 SER CB 1 1 6 2390 1 1 17 SER H H 3.878 -0.260 6.137 1.00 . A A . 17 SER H 1 1 6 2391 1 1 17 SER HA H 5.166 1.759 4.493 1.00 . A A . 17 SER HA 1 1 6 2392 1 1 17 SER HB2 H 6.769 -0.166 4.123 1.00 . A A . 17 SER HB2 1 1 6 2393 1 1 17 SER HB3 H 6.657 0.443 5.778 1.00 . A A . 17 SER HB3 1 1 6 2394 1 1 17 SER HG H 5.791 -1.348 6.410 1.00 . A A . 17 SER HG 1 1 6 2395 1 1 17 SER N N 3.947 0.613 5.693 1.00 . A A . 17 SER N 1 1 6 2396 1 1 17 SER O O 5.007 -0.065 2.332 1.00 . A A . 17 SER O 1 1 6 2397 1 1 17 SER OG O 5.766 -1.367 5.444 1.00 . A A . 17 SER OG 1 1 6 2398 1 1 18 LEU C C 2.304 0.597 1.015 1.00 . A A . 18 LEU C 1 1 6 2399 1 1 18 LEU CA C 2.286 -0.447 2.101 1.00 . A A . 18 LEU CA 1 1 6 2400 1 1 18 LEU CB C 0.841 -0.792 2.428 1.00 . A A . 18 LEU CB 1 1 6 2401 1 1 18 LEU CD1 C -0.863 -1.996 3.763 1.00 . A A . 18 LEU CD1 1 1 6 2402 1 1 18 LEU CD2 C 1.233 -3.166 3.114 1.00 . A A . 18 LEU CD2 1 1 6 2403 1 1 18 LEU CG C 0.616 -1.838 3.506 1.00 . A A . 18 LEU CG 1 1 6 2404 1 1 18 LEU H H 2.452 0.295 4.073 1.00 . A A . 18 LEU H 1 1 6 2405 1 1 18 LEU HA H 2.790 -1.336 1.754 1.00 . A A . 18 LEU HA 1 1 6 2406 1 1 18 LEU HB2 H 0.355 0.118 2.747 1.00 . A A . 18 LEU HB2 1 1 6 2407 1 1 18 LEU HB3 H 0.364 -1.132 1.520 1.00 . A A . 18 LEU HB3 1 1 6 2408 1 1 18 LEU HD11 H -1.015 -2.751 4.520 1.00 . A A . 18 LEU HD11 1 1 6 2409 1 1 18 LEU HD12 H -1.358 -2.296 2.852 1.00 . A A . 18 LEU HD12 1 1 6 2410 1 1 18 LEU HD13 H -1.274 -1.058 4.106 1.00 . A A . 18 LEU HD13 1 1 6 2411 1 1 18 LEU HD21 H 2.301 -3.052 2.996 1.00 . A A . 18 LEU HD21 1 1 6 2412 1 1 18 LEU HD22 H 0.802 -3.502 2.183 1.00 . A A . 18 LEU HD22 1 1 6 2413 1 1 18 LEU HD23 H 1.031 -3.890 3.888 1.00 . A A . 18 LEU HD23 1 1 6 2414 1 1 18 LEU HG H 1.078 -1.502 4.423 1.00 . A A . 18 LEU HG 1 1 6 2415 1 1 18 LEU N N 2.974 0.050 3.279 1.00 . A A . 18 LEU N 1 1 6 2416 1 1 18 LEU O O 2.292 1.806 1.306 1.00 . A A . 18 LEU O 1 1 6 2417 1 1 19 CYS C C 1.121 0.718 -2.199 1.00 . A A . 19 CYS C 1 1 6 2418 1 1 19 CYS CA C 2.321 1.020 -1.334 1.00 . A A . 19 CYS CA 1 1 6 2419 1 1 19 CYS CB C 3.624 0.870 -2.122 1.00 . A A . 19 CYS CB 1 1 6 2420 1 1 19 CYS H H 2.278 -0.821 -0.370 1.00 . A A . 19 CYS H 1 1 6 2421 1 1 19 CYS HA H 2.240 2.034 -0.970 1.00 . A A . 19 CYS HA 1 1 6 2422 1 1 19 CYS HB2 H 3.725 -0.156 -2.442 1.00 . A A . 19 CYS HB2 1 1 6 2423 1 1 19 CYS HB3 H 3.588 1.511 -2.991 1.00 . A A . 19 CYS HB3 1 1 6 2424 1 1 19 CYS N N 2.307 0.148 -0.202 1.00 . A A . 19 CYS N 1 1 6 2425 1 1 19 CYS O O 0.454 -0.318 -2.017 1.00 . A A . 19 CYS O 1 1 6 2426 1 1 19 CYS SG S 5.121 1.302 -1.171 1.00 . A A . 19 CYS SG 1 1 6 2427 1 1 20 CYS C C 0.016 0.809 -5.256 1.00 . A A . 20 CYS C 1 1 6 2428 1 1 20 CYS CA C -0.320 1.496 -3.935 1.00 . A A . 20 CYS CA 1 1 6 2429 1 1 20 CYS CB C -0.884 2.900 -4.171 1.00 . A A . 20 CYS CB 1 1 6 2430 1 1 20 CYS H H 1.457 2.354 -3.265 1.00 . A A . 20 CYS H 1 1 6 2431 1 1 20 CYS HA H -1.062 0.914 -3.409 1.00 . A A . 20 CYS HA 1 1 6 2432 1 1 20 CYS HB2 H -1.062 3.372 -3.217 1.00 . A A . 20 CYS HB2 1 1 6 2433 1 1 20 CYS HB3 H -0.148 3.476 -4.712 1.00 . A A . 20 CYS HB3 1 1 6 2434 1 1 20 CYS N N 0.841 1.594 -3.110 1.00 . A A . 20 CYS N 1 1 6 2435 1 1 20 CYS O O 0.873 1.276 -6.029 1.00 . A A . 20 CYS O 1 1 6 2436 1 1 20 CYS SG S -2.446 2.968 -5.104 1.00 . A A . 20 CYS SG 1 1 6 2437 1 1 21 VAL C C -1.889 -1.541 -7.125 1.00 . A A . 21 VAL C 1 1 6 2438 1 1 21 VAL CA C -0.492 -1.099 -6.707 1.00 . A A . 21 VAL CA 1 1 6 2439 1 1 21 VAL CB C 0.444 -2.351 -6.516 1.00 . A A . 21 VAL CB 1 1 6 2440 1 1 21 VAL CG1 C 1.897 -1.928 -6.364 1.00 . A A . 21 VAL CG1 1 1 6 2441 1 1 21 VAL CG2 C 0.024 -3.185 -5.302 1.00 . A A . 21 VAL CG2 1 1 6 2442 1 1 21 VAL H H -1.218 -0.663 -4.779 1.00 . A A . 21 VAL H 1 1 6 2443 1 1 21 VAL HA H -0.090 -0.454 -7.475 1.00 . A A . 21 VAL HA 1 1 6 2444 1 1 21 VAL HB H 0.363 -2.968 -7.400 1.00 . A A . 21 VAL HB 1 1 6 2445 1 1 21 VAL HG11 H 2.514 -2.804 -6.222 1.00 . A A . 21 VAL HG11 1 1 6 2446 1 1 21 VAL HG12 H 1.996 -1.276 -5.510 1.00 . A A . 21 VAL HG12 1 1 6 2447 1 1 21 VAL HG13 H 2.215 -1.405 -7.255 1.00 . A A . 21 VAL HG13 1 1 6 2448 1 1 21 VAL HG21 H -0.991 -3.529 -5.436 1.00 . A A . 21 VAL HG21 1 1 6 2449 1 1 21 VAL HG22 H 0.082 -2.577 -4.411 1.00 . A A . 21 VAL HG22 1 1 6 2450 1 1 21 VAL HG23 H 0.683 -4.034 -5.203 1.00 . A A . 21 VAL HG23 1 1 6 2451 1 1 21 VAL N N -0.619 -0.317 -5.482 1.00 . A A . 21 VAL N 1 1 6 2452 1 1 21 VAL O O -2.132 -2.686 -7.495 1.00 . A A . 21 VAL O 1 1 6 2453 1 1 22 GLY C C -4.843 -1.116 -5.954 1.00 . A A . 22 GLY C 1 1 6 2454 1 1 22 GLY CA C -4.197 -0.917 -7.286 1.00 . A A . 22 GLY CA 1 1 6 2455 1 1 22 GLY H H -2.537 0.306 -6.845 1.00 . A A . 22 GLY H 1 1 6 2456 1 1 22 GLY HA2 H -4.663 -0.097 -7.812 1.00 . A A . 22 GLY HA2 1 1 6 2457 1 1 22 GLY HA3 H -4.286 -1.825 -7.862 1.00 . A A . 22 GLY HA3 1 1 6 2458 1 1 22 GLY N N -2.807 -0.614 -7.057 1.00 . A A . 22 GLY N 1 1 6 2459 1 1 22 GLY O O -5.854 -0.484 -5.613 1.00 . A A . 22 GLY O 1 1 6 2460 1 1 23 ILE C C -3.371 -1.846 -2.957 1.00 . A A . 23 ILE C 1 1 6 2461 1 1 23 ILE CA C -4.571 -2.189 -3.815 1.00 . A A . 23 ILE CA 1 1 6 2462 1 1 23 ILE CB C -4.976 -3.662 -3.532 1.00 . A A . 23 ILE CB 1 1 6 2463 1 1 23 ILE CD1 C -4.089 -6.077 -3.572 1.00 . A A . 23 ILE CD1 1 1 6 2464 1 1 23 ILE CG1 C -3.849 -4.631 -3.956 1.00 . A A . 23 ILE CG1 1 1 6 2465 1 1 23 ILE CG2 C -6.297 -4.000 -4.215 1.00 . A A . 23 ILE CG2 1 1 6 2466 1 1 23 ILE H H -3.462 -2.451 -5.572 1.00 . A A . 23 ILE H 1 1 6 2467 1 1 23 ILE HA H -5.390 -1.533 -3.558 1.00 . A A . 23 ILE HA 1 1 6 2468 1 1 23 ILE HB H -5.131 -3.755 -2.466 1.00 . A A . 23 ILE HB 1 1 6 2469 1 1 23 ILE HD11 H -5.022 -6.410 -4.000 1.00 . A A . 23 ILE HD11 1 1 6 2470 1 1 23 ILE HD12 H -4.129 -6.163 -2.497 1.00 . A A . 23 ILE HD12 1 1 6 2471 1 1 23 ILE HD13 H -3.282 -6.687 -3.951 1.00 . A A . 23 ILE HD13 1 1 6 2472 1 1 23 ILE HG12 H -3.738 -4.593 -5.029 1.00 . A A . 23 ILE HG12 1 1 6 2473 1 1 23 ILE HG13 H -2.925 -4.311 -3.498 1.00 . A A . 23 ILE HG13 1 1 6 2474 1 1 23 ILE HG21 H -6.199 -3.849 -5.280 1.00 . A A . 23 ILE HG21 1 1 6 2475 1 1 23 ILE HG22 H -7.078 -3.361 -3.830 1.00 . A A . 23 ILE HG22 1 1 6 2476 1 1 23 ILE HG23 H -6.546 -5.032 -4.019 1.00 . A A . 23 ILE HG23 1 1 6 2477 1 1 23 ILE N N -4.219 -1.960 -5.185 1.00 . A A . 23 ILE N 1 1 6 2478 1 1 23 ILE O O -2.260 -1.647 -3.482 1.00 . A A . 23 ILE O 1 1 6 2479 1 1 24 CYS C C -1.844 -2.847 -0.487 1.00 . A A . 24 CYS C 1 1 6 2480 1 1 24 CYS CA C -2.520 -1.528 -0.753 1.00 . A A . 24 CYS CA 1 1 6 2481 1 1 24 CYS CB C -3.063 -0.940 0.536 1.00 . A A . 24 CYS CB 1 1 6 2482 1 1 24 CYS H H -4.508 -1.797 -1.352 1.00 . A A . 24 CYS H 1 1 6 2483 1 1 24 CYS HA H -1.811 -0.842 -1.191 1.00 . A A . 24 CYS HA 1 1 6 2484 1 1 24 CYS HB2 H -3.807 -1.609 0.943 1.00 . A A . 24 CYS HB2 1 1 6 2485 1 1 24 CYS HB3 H -2.256 -0.831 1.245 1.00 . A A . 24 CYS HB3 1 1 6 2486 1 1 24 CYS N N -3.584 -1.742 -1.688 1.00 . A A . 24 CYS N 1 1 6 2487 1 1 24 CYS O O -2.483 -3.796 0.008 1.00 . A A . 24 CYS O 1 1 6 2488 1 1 24 CYS SG S -3.836 0.683 0.313 1.00 . A A . 24 CYS SG 1 1 6 2489 1 1 25 ALA C C 1.613 -3.853 -0.458 1.00 . A A . 25 ALA C 1 1 6 2490 1 1 25 ALA CA C 0.151 -4.155 -0.688 1.00 . A A . 25 ALA CA 1 1 6 2491 1 1 25 ALA CB C -0.017 -5.047 -1.916 1.00 . A A . 25 ALA CB 1 1 6 2492 1 1 25 ALA H H -0.136 -2.156 -1.240 1.00 . A A . 25 ALA H 1 1 6 2493 1 1 25 ALA HA H -0.244 -4.681 0.167 1.00 . A A . 25 ALA HA 1 1 6 2494 1 1 25 ALA HB1 H 0.371 -4.536 -2.785 1.00 . A A . 25 ALA HB1 1 1 6 2495 1 1 25 ALA HB2 H -1.065 -5.262 -2.066 1.00 . A A . 25 ALA HB2 1 1 6 2496 1 1 25 ALA HB3 H 0.523 -5.969 -1.770 1.00 . A A . 25 ALA HB3 1 1 6 2497 1 1 25 ALA N N -0.591 -2.936 -0.851 1.00 . A A . 25 ALA N 1 1 6 2498 1 1 25 ALA O O 2.061 -2.704 -0.627 1.00 . A A . 25 ALA O 1 1 6 2499 1 1 26 LYS C C 4.440 -4.970 -1.180 1.00 . A A . 26 LYS C 1 1 6 2500 1 1 26 LYS CA C 3.751 -4.764 0.161 1.00 . A A . 26 LYS CA 1 1 6 2501 1 1 26 LYS CB C 4.201 -5.850 1.149 1.00 . A A . 26 LYS CB 1 1 6 2502 1 1 26 LYS CD C 6.137 -4.715 2.382 1.00 . A A . 26 LYS CD 1 1 6 2503 1 1 26 LYS CE C 5.496 -4.846 3.753 1.00 . A A . 26 LYS CE 1 1 6 2504 1 1 26 LYS CG C 5.699 -5.859 1.465 1.00 . A A . 26 LYS CG 1 1 6 2505 1 1 26 LYS H H 1.898 -5.723 0.111 1.00 . A A . 26 LYS H 1 1 6 2506 1 1 26 LYS HA H 3.989 -3.789 0.559 1.00 . A A . 26 LYS HA 1 1 6 2507 1 1 26 LYS HB2 H 3.661 -5.718 2.075 1.00 . A A . 26 LYS HB2 1 1 6 2508 1 1 26 LYS HB3 H 3.937 -6.813 0.740 1.00 . A A . 26 LYS HB3 1 1 6 2509 1 1 26 LYS HD2 H 7.211 -4.742 2.494 1.00 . A A . 26 LYS HD2 1 1 6 2510 1 1 26 LYS HD3 H 5.842 -3.773 1.942 1.00 . A A . 26 LYS HD3 1 1 6 2511 1 1 26 LYS HE2 H 4.450 -4.595 3.674 1.00 . A A . 26 LYS HE2 1 1 6 2512 1 1 26 LYS HE3 H 5.597 -5.873 4.068 1.00 . A A . 26 LYS HE3 1 1 6 2513 1 1 26 LYS HG2 H 5.953 -6.794 1.941 1.00 . A A . 26 LYS HG2 1 1 6 2514 1 1 26 LYS HG3 H 6.237 -5.781 0.531 1.00 . A A . 26 LYS HG3 1 1 6 2515 1 1 26 LYS HZ1 H 7.130 -4.158 4.849 1.00 . A A . 26 LYS HZ1 1 1 6 2516 1 1 26 LYS HZ2 H 5.706 -4.189 5.690 1.00 . A A . 26 LYS HZ2 1 1 6 2517 1 1 26 LYS HZ3 H 5.978 -2.943 4.604 1.00 . A A . 26 LYS HZ3 1 1 6 2518 1 1 26 LYS N N 2.335 -4.857 -0.049 1.00 . A A . 26 LYS N 1 1 6 2519 1 1 26 LYS NZ N 6.111 -3.966 4.760 1.00 . A A . 26 LYS NZ 1 1 6 2520 1 1 26 LYS O O 4.223 -5.991 -1.855 1.00 . A A . 26 LYS O 1 1 6 2521 1 1 27 THR C C 7.317 -4.696 -2.580 1.00 . A A . 27 THR C 1 1 6 2522 1 1 27 THR CA C 5.938 -4.068 -2.809 1.00 . A A . 27 THR CA 1 1 6 2523 1 1 27 THR CB C 6.086 -2.645 -3.331 1.00 . A A . 27 THR CB 1 1 6 2524 1 1 27 THR CG2 C 4.788 -2.155 -3.950 1.00 . A A . 27 THR CG2 1 1 6 2525 1 1 27 THR H H 5.315 -3.190 -1.058 1.00 . A A . 27 THR H 1 1 6 2526 1 1 27 THR HA H 5.375 -4.644 -3.525 1.00 . A A . 27 THR HA 1 1 6 2527 1 1 27 THR HB H 6.874 -2.626 -4.069 1.00 . A A . 27 THR HB 1 1 6 2528 1 1 27 THR HG1 H 7.175 -1.225 -2.519 1.00 . A A . 27 THR HG1 1 1 6 2529 1 1 27 THR HG21 H 4.910 -1.137 -4.288 1.00 . A A . 27 THR HG21 1 1 6 2530 1 1 27 THR HG22 H 3.997 -2.204 -3.217 1.00 . A A . 27 THR HG22 1 1 6 2531 1 1 27 THR HG23 H 4.534 -2.782 -4.792 1.00 . A A . 27 THR HG23 1 1 6 2532 1 1 27 THR N N 5.208 -4.013 -1.579 1.00 . A A . 27 THR N 1 1 6 2533 1 1 27 THR O O 7.607 -5.170 -1.468 1.00 . A A . 27 THR O 1 1 6 2534 1 1 27 THR OG1 O 6.450 -1.795 -2.223 1.00 . A A . 27 THR OG1 1 1 6 2535 1 1 28 ILE C C 10.300 -4.160 -2.678 1.00 . A A . 28 ILE C 1 1 6 2536 1 1 28 ILE CA C 9.510 -5.210 -3.449 1.00 . A A . 28 ILE CA 1 1 6 2537 1 1 28 ILE CB C 10.195 -5.465 -4.827 1.00 . A A . 28 ILE CB 1 1 6 2538 1 1 28 ILE CD1 C 9.857 -6.605 -7.102 1.00 . A A . 28 ILE CD1 1 1 6 2539 1 1 28 ILE CG1 C 9.327 -6.390 -5.697 1.00 . A A . 28 ILE CG1 1 1 6 2540 1 1 28 ILE CG2 C 11.585 -6.075 -4.622 1.00 . A A . 28 ILE CG2 1 1 6 2541 1 1 28 ILE H H 7.869 -4.377 -4.476 1.00 . A A . 28 ILE H 1 1 6 2542 1 1 28 ILE HA H 9.477 -6.126 -2.878 1.00 . A A . 28 ILE HA 1 1 6 2543 1 1 28 ILE HB H 10.321 -4.519 -5.331 1.00 . A A . 28 ILE HB 1 1 6 2544 1 1 28 ILE HD11 H 10.841 -7.048 -7.050 1.00 . A A . 28 ILE HD11 1 1 6 2545 1 1 28 ILE HD12 H 9.916 -5.656 -7.614 1.00 . A A . 28 ILE HD12 1 1 6 2546 1 1 28 ILE HD13 H 9.193 -7.265 -7.640 1.00 . A A . 28 ILE HD13 1 1 6 2547 1 1 28 ILE HG12 H 9.269 -7.359 -5.225 1.00 . A A . 28 ILE HG12 1 1 6 2548 1 1 28 ILE HG13 H 8.333 -5.974 -5.772 1.00 . A A . 28 ILE HG13 1 1 6 2549 1 1 28 ILE HG21 H 12.051 -6.239 -5.583 1.00 . A A . 28 ILE HG21 1 1 6 2550 1 1 28 ILE HG22 H 11.492 -7.018 -4.105 1.00 . A A . 28 ILE HG22 1 1 6 2551 1 1 28 ILE HG23 H 12.191 -5.401 -4.036 1.00 . A A . 28 ILE HG23 1 1 6 2552 1 1 28 ILE N N 8.156 -4.710 -3.599 1.00 . A A . 28 ILE N 1 1 6 2553 1 1 28 ILE O O 10.858 -4.435 -1.623 1.00 . A A . 28 ILE O 1 1 6 2554 1 1 29 ALA C C 9.865 -0.936 -1.958 1.00 . A A . 29 ALA C 1 1 6 2555 1 1 29 ALA CA C 10.930 -1.824 -2.562 1.00 . A A . 29 ALA CA 1 1 6 2556 1 1 29 ALA CB C 11.733 -1.034 -3.578 1.00 . A A . 29 ALA CB 1 1 6 2557 1 1 29 ALA H H 9.804 -2.805 -4.035 1.00 . A A . 29 ALA H 1 1 6 2558 1 1 29 ALA HA H 11.591 -2.190 -1.791 1.00 . A A . 29 ALA HA 1 1 6 2559 1 1 29 ALA HB1 H 12.502 -1.661 -4.001 1.00 . A A . 29 ALA HB1 1 1 6 2560 1 1 29 ALA HB2 H 12.189 -0.184 -3.093 1.00 . A A . 29 ALA HB2 1 1 6 2561 1 1 29 ALA HB3 H 11.078 -0.690 -4.364 1.00 . A A . 29 ALA HB3 1 1 6 2562 1 1 29 ALA N N 10.285 -2.951 -3.194 1.00 . A A . 29 ALA N 1 1 6 2563 1 1 29 ALA O O 8.843 -0.675 -2.604 1.00 . A A . 29 ALA O 1 1 6 2564 1 1 30 PRO C C 9.143 1.800 -0.604 1.00 . A A . 30 PRO C 1 1 6 2565 1 1 30 PRO CA C 9.077 0.370 -0.068 1.00 . A A . 30 PRO CA 1 1 6 2566 1 1 30 PRO CB C 9.480 0.322 1.408 1.00 . A A . 30 PRO CB 1 1 6 2567 1 1 30 PRO CD C 11.198 -0.796 0.148 1.00 . A A . 30 PRO CD 1 1 6 2568 1 1 30 PRO CG C 10.935 -0.008 1.404 1.00 . A A . 30 PRO CG 1 1 6 2569 1 1 30 PRO HA H 8.073 -0.006 -0.189 1.00 . A A . 30 PRO HA 1 1 6 2570 1 1 30 PRO HB2 H 9.291 1.283 1.864 1.00 . A A . 30 PRO HB2 1 1 6 2571 1 1 30 PRO HB3 H 8.905 -0.440 1.914 1.00 . A A . 30 PRO HB3 1 1 6 2572 1 1 30 PRO HD2 H 12.119 -0.470 -0.314 1.00 . A A . 30 PRO HD2 1 1 6 2573 1 1 30 PRO HD3 H 11.242 -1.851 0.372 1.00 . A A . 30 PRO HD3 1 1 6 2574 1 1 30 PRO HG2 H 11.517 0.901 1.404 1.00 . A A . 30 PRO HG2 1 1 6 2575 1 1 30 PRO HG3 H 11.175 -0.602 2.274 1.00 . A A . 30 PRO HG3 1 1 6 2576 1 1 30 PRO N N 10.042 -0.492 -0.721 1.00 . A A . 30 PRO N 1 1 6 2577 1 1 30 PRO O O 10.219 2.380 -0.749 1.00 . A A . 30 PRO O 1 1 6 2578 1 1 31 CYS C C 7.910 4.732 -0.239 1.00 . A A . 31 CYS C 1 1 6 2579 1 1 31 CYS CA C 7.871 3.720 -1.384 1.00 . A A . 31 CYS CA 1 1 6 2580 1 1 31 CYS CB C 6.545 3.832 -2.135 1.00 . A A . 31 CYS CB 1 1 6 2581 1 1 31 CYS H H 7.158 1.866 -0.728 1.00 . A A . 31 CYS H 1 1 6 2582 1 1 31 CYS HA H 8.682 3.911 -2.070 1.00 . A A . 31 CYS HA 1 1 6 2583 1 1 31 CYS HB2 H 6.397 4.855 -2.448 1.00 . A A . 31 CYS HB2 1 1 6 2584 1 1 31 CYS HB3 H 6.572 3.191 -3.005 1.00 . A A . 31 CYS HB3 1 1 6 2585 1 1 31 CYS N N 7.996 2.363 -0.865 1.00 . A A . 31 CYS N 1 1 6 2586 1 1 31 CYS O O 7.699 5.933 -0.432 1.00 . A A . 31 CYS O 1 1 6 2587 1 1 31 CYS SG S 5.101 3.338 -1.126 1.00 . A A . 31 CYS SG 1 1 6 2588 1 1 32 LYS C C 9.534 4.785 2.828 1.00 . A A . 32 LYS C 1 1 6 2589 1 1 32 LYS CA C 8.219 5.031 2.130 1.00 . A A . 32 LYS CA 1 1 6 2590 1 1 32 LYS CB C 7.044 4.647 3.027 1.00 . A A . 32 LYS CB 1 1 6 2591 1 1 32 LYS CD C 4.587 4.274 3.163 1.00 . A A . 32 LYS CD 1 1 6 2592 1 1 32 LYS CE C 3.232 4.684 2.646 1.00 . A A . 32 LYS CE 1 1 6 2593 1 1 32 LYS CG C 5.692 4.977 2.428 1.00 . A A . 32 LYS CG 1 1 6 2594 1 1 32 LYS H H 8.393 3.284 1.022 1.00 . A A . 32 LYS H 1 1 6 2595 1 1 32 LYS HA H 8.130 6.070 1.854 1.00 . A A . 32 LYS HA 1 1 6 2596 1 1 32 LYS HB2 H 7.083 3.584 3.214 1.00 . A A . 32 LYS HB2 1 1 6 2597 1 1 32 LYS HB3 H 7.137 5.172 3.967 1.00 . A A . 32 LYS HB3 1 1 6 2598 1 1 32 LYS HD2 H 4.700 3.210 3.023 1.00 . A A . 32 LYS HD2 1 1 6 2599 1 1 32 LYS HD3 H 4.654 4.511 4.215 1.00 . A A . 32 LYS HD3 1 1 6 2600 1 1 32 LYS HE2 H 3.060 5.719 2.906 1.00 . A A . 32 LYS HE2 1 1 6 2601 1 1 32 LYS HE3 H 3.220 4.577 1.572 1.00 . A A . 32 LYS HE3 1 1 6 2602 1 1 32 LYS HG2 H 5.530 6.043 2.485 1.00 . A A . 32 LYS HG2 1 1 6 2603 1 1 32 LYS HG3 H 5.684 4.665 1.393 1.00 . A A . 32 LYS HG3 1 1 6 2604 1 1 32 LYS HZ1 H 1.221 4.233 2.990 1.00 . A A . 32 LYS HZ1 1 1 6 2605 1 1 32 LYS HZ2 H 2.241 3.798 4.263 1.00 . A A . 32 LYS HZ2 1 1 6 2606 1 1 32 LYS HZ3 H 2.228 2.904 2.817 1.00 . A A . 32 LYS HZ3 1 1 6 2607 1 1 32 LYS N N 8.179 4.235 0.944 1.00 . A A . 32 LYS N 1 1 6 2608 1 1 32 LYS NZ N 2.163 3.859 3.226 1.00 . A A . 32 LYS NZ 1 1 6 2609 1 1 32 LYS O O 9.558 4.126 3.881 1.00 . A A . 32 LYS O 1 1 6 2610 1 1 32 LYS OXT O 10.572 5.189 2.285 1.00 . A A . 32 LYS OXT 1 1 7 2611 1 1 1 CYS C C -6.118 3.388 5.474 1.00 . A A . 1 CYS C 1 1 7 2612 1 1 1 CYS CA C -5.503 4.731 5.830 1.00 . A A . 1 CYS CA 1 1 7 2613 1 1 1 CYS CB C -3.999 4.598 6.126 1.00 . A A . 1 CYS CB 1 1 7 2614 1 1 1 CYS H1 H -6.062 4.627 7.780 1.00 . A A . 1 CYS H1 1 1 7 2615 1 1 1 CYS H2 H -7.202 5.360 6.804 1.00 . A A . 1 CYS H2 1 1 7 2616 1 1 1 CYS H3 H -5.794 6.209 7.263 1.00 . A A . 1 CYS H3 1 1 7 2617 1 1 1 CYS HA H -5.645 5.408 5.000 1.00 . A A . 1 CYS HA 1 1 7 2618 1 1 1 CYS HB2 H -3.527 4.063 5.316 1.00 . A A . 1 CYS HB2 1 1 7 2619 1 1 1 CYS HB3 H -3.570 5.587 6.189 1.00 . A A . 1 CYS HB3 1 1 7 2620 1 1 1 CYS N N -6.181 5.287 6.985 1.00 . A A . 1 CYS N 1 1 7 2621 1 1 1 CYS O O -6.817 2.787 6.303 1.00 . A A . 1 CYS O 1 1 7 2622 1 1 1 CYS SG S -3.587 3.712 7.678 1.00 . A A . 1 CYS SG 1 1 7 2623 1 1 2 ALA C C -5.475 0.523 4.206 1.00 . A A . 2 ALA C 1 1 7 2624 1 1 2 ALA CA C -6.411 1.653 3.813 1.00 . A A . 2 ALA CA 1 1 7 2625 1 1 2 ALA CB C -6.628 1.669 2.311 1.00 . A A . 2 ALA CB 1 1 7 2626 1 1 2 ALA H H -5.318 3.441 3.639 1.00 . A A . 2 ALA H 1 1 7 2627 1 1 2 ALA HA H -7.363 1.501 4.299 1.00 . A A . 2 ALA HA 1 1 7 2628 1 1 2 ALA HB1 H -7.307 2.469 2.061 1.00 . A A . 2 ALA HB1 1 1 7 2629 1 1 2 ALA HB2 H -7.051 0.726 1.996 1.00 . A A . 2 ALA HB2 1 1 7 2630 1 1 2 ALA HB3 H -5.684 1.827 1.811 1.00 . A A . 2 ALA HB3 1 1 7 2631 1 1 2 ALA N N -5.878 2.922 4.261 1.00 . A A . 2 ALA N 1 1 7 2632 1 1 2 ALA O O -4.238 0.698 4.225 1.00 . A A . 2 ALA O 1 1 7 2633 1 1 3 VAL C C -4.967 -2.688 3.777 1.00 . A A . 3 VAL C 1 1 7 2634 1 1 3 VAL CA C -5.270 -1.761 4.952 1.00 . A A . 3 VAL CA 1 1 7 2635 1 1 3 VAL CB C -5.976 -2.549 6.091 1.00 . A A . 3 VAL CB 1 1 7 2636 1 1 3 VAL CG1 C -6.169 -1.675 7.315 1.00 . A A . 3 VAL CG1 1 1 7 2637 1 1 3 VAL CG2 C -7.304 -3.128 5.628 1.00 . A A . 3 VAL CG2 1 1 7 2638 1 1 3 VAL H H -7.021 -0.695 4.425 1.00 . A A . 3 VAL H 1 1 7 2639 1 1 3 VAL HA H -4.331 -1.381 5.326 1.00 . A A . 3 VAL HA 1 1 7 2640 1 1 3 VAL HB H -5.330 -3.364 6.377 1.00 . A A . 3 VAL HB 1 1 7 2641 1 1 3 VAL HG11 H -6.669 -2.241 8.086 1.00 . A A . 3 VAL HG11 1 1 7 2642 1 1 3 VAL HG12 H -6.766 -0.814 7.051 1.00 . A A . 3 VAL HG12 1 1 7 2643 1 1 3 VAL HG13 H -5.207 -1.344 7.678 1.00 . A A . 3 VAL HG13 1 1 7 2644 1 1 3 VAL HG21 H -7.796 -3.634 6.444 1.00 . A A . 3 VAL HG21 1 1 7 2645 1 1 3 VAL HG22 H -7.117 -3.826 4.824 1.00 . A A . 3 VAL HG22 1 1 7 2646 1 1 3 VAL HG23 H -7.932 -2.333 5.252 1.00 . A A . 3 VAL HG23 1 1 7 2647 1 1 3 VAL N N -6.045 -0.614 4.517 1.00 . A A . 3 VAL N 1 1 7 2648 1 1 3 VAL O O -5.293 -2.375 2.624 1.00 . A A . 3 VAL O 1 1 7 2649 1 1 4 THR C C -5.209 -5.282 2.297 1.00 . A A . 4 THR C 1 1 7 2650 1 1 4 THR CA C -3.970 -4.776 3.059 1.00 . A A . 4 THR CA 1 1 7 2651 1 1 4 THR CB C -3.217 -5.967 3.695 1.00 . A A . 4 THR CB 1 1 7 2652 1 1 4 THR CG2 C -2.647 -6.888 2.623 1.00 . A A . 4 THR CG2 1 1 7 2653 1 1 4 THR H H -4.150 -4.004 5.012 1.00 . A A . 4 THR H 1 1 7 2654 1 1 4 THR HA H -3.309 -4.284 2.361 1.00 . A A . 4 THR HA 1 1 7 2655 1 1 4 THR HB H -3.898 -6.526 4.320 1.00 . A A . 4 THR HB 1 1 7 2656 1 1 4 THR HG1 H -2.448 -4.727 5.020 1.00 . A A . 4 THR HG1 1 1 7 2657 1 1 4 THR HG21 H -2.125 -7.709 3.091 1.00 . A A . 4 THR HG21 1 1 7 2658 1 1 4 THR HG22 H -1.962 -6.327 2.004 1.00 . A A . 4 THR HG22 1 1 7 2659 1 1 4 THR HG23 H -3.451 -7.269 2.012 1.00 . A A . 4 THR HG23 1 1 7 2660 1 1 4 THR N N -4.345 -3.814 4.068 1.00 . A A . 4 THR N 1 1 7 2661 1 1 4 THR O O -6.260 -5.544 2.901 1.00 . A A . 4 THR O 1 1 7 2662 1 1 4 THR OG1 O -2.130 -5.469 4.490 1.00 . A A . 4 THR OG1 1 1 7 2663 1 1 5 HIS C C -7.220 -4.815 -0.225 1.00 . A A . 5 HIS C 1 1 7 2664 1 1 5 HIS CA C -6.117 -5.830 0.037 1.00 . A A . 5 HIS CA 1 1 7 2665 1 1 5 HIS CB C -6.712 -7.206 0.439 1.00 . A A . 5 HIS CB 1 1 7 2666 1 1 5 HIS CD2 C -4.750 -8.703 -0.369 1.00 . A A . 5 HIS CD2 1 1 7 2667 1 1 5 HIS CE1 C -4.664 -10.090 1.293 1.00 . A A . 5 HIS CE1 1 1 7 2668 1 1 5 HIS CG C -5.713 -8.326 0.511 1.00 . A A . 5 HIS CG 1 1 7 2669 1 1 5 HIS H H -4.238 -4.997 0.591 1.00 . A A . 5 HIS H 1 1 7 2670 1 1 5 HIS HA H -5.602 -5.951 -0.905 1.00 . A A . 5 HIS HA 1 1 7 2671 1 1 5 HIS HB2 H -7.168 -7.115 1.413 1.00 . A A . 5 HIS HB2 1 1 7 2672 1 1 5 HIS HB3 H -7.473 -7.479 -0.278 1.00 . A A . 5 HIS HB3 1 1 7 2673 1 1 5 HIS HD1 H -6.218 -9.231 2.350 1.00 . A A . 5 HIS HD1 1 1 7 2674 1 1 5 HIS HD2 H -4.526 -8.222 -1.309 1.00 . A A . 5 HIS HD2 1 1 7 2675 1 1 5 HIS HE1 H -4.381 -10.905 1.942 1.00 . A A . 5 HIS HE1 1 1 7 2676 1 1 5 HIS N N -5.082 -5.332 0.969 1.00 . A A . 5 HIS N 1 1 7 2677 1 1 5 HIS ND1 N -5.641 -9.221 1.555 1.00 . A A . 5 HIS ND1 1 1 7 2678 1 1 5 HIS NE2 N -4.085 -9.820 0.131 1.00 . A A . 5 HIS NE2 1 1 7 2679 1 1 5 HIS O O -8.142 -5.079 -1.010 1.00 . A A . 5 HIS O 1 1 7 2680 1 1 6 GLU C C -7.529 -1.706 -0.911 1.00 . A A . 6 GLU C 1 1 7 2681 1 1 6 GLU CA C -8.092 -2.616 0.153 1.00 . A A . 6 GLU CA 1 1 7 2682 1 1 6 GLU CB C -8.437 -1.818 1.408 1.00 . A A . 6 GLU CB 1 1 7 2683 1 1 6 GLU CD C -9.725 -1.718 3.537 1.00 . A A . 6 GLU CD 1 1 7 2684 1 1 6 GLU CG C -9.112 -2.612 2.492 1.00 . A A . 6 GLU CG 1 1 7 2685 1 1 6 GLU H H -6.427 -3.507 1.064 1.00 . A A . 6 GLU H 1 1 7 2686 1 1 6 GLU HA H -8.985 -3.082 -0.237 1.00 . A A . 6 GLU HA 1 1 7 2687 1 1 6 GLU HB2 H -7.525 -1.442 1.848 1.00 . A A . 6 GLU HB2 1 1 7 2688 1 1 6 GLU HB3 H -9.081 -0.994 1.144 1.00 . A A . 6 GLU HB3 1 1 7 2689 1 1 6 GLU HG2 H -9.888 -3.219 2.051 1.00 . A A . 6 GLU HG2 1 1 7 2690 1 1 6 GLU HG3 H -8.382 -3.250 2.967 1.00 . A A . 6 GLU HG3 1 1 7 2691 1 1 6 GLU N N -7.144 -3.668 0.412 1.00 . A A . 6 GLU N 1 1 7 2692 1 1 6 GLU O O -6.316 -1.548 -0.992 1.00 . A A . 6 GLU O 1 1 7 2693 1 1 6 GLU OE1 O -9.024 -0.839 4.089 1.00 . A A . 6 GLU OE1 1 1 7 2694 1 1 6 GLU OE2 O -10.928 -1.888 3.835 1.00 . A A . 6 GLU OE2 1 1 7 2695 1 1 7 LYS C C -7.317 0.990 -2.293 1.00 . A A . 7 LYS C 1 1 7 2696 1 1 7 LYS CA C -7.978 -0.271 -2.824 1.00 . A A . 7 LYS CA 1 1 7 2697 1 1 7 LYS CB C -9.161 0.069 -3.715 1.00 . A A . 7 LYS CB 1 1 7 2698 1 1 7 LYS CD C -11.006 -0.802 -5.160 1.00 . A A . 7 LYS CD 1 1 7 2699 1 1 7 LYS CE C -11.764 -2.046 -5.576 1.00 . A A . 7 LYS CE 1 1 7 2700 1 1 7 LYS CG C -9.800 -1.156 -4.328 1.00 . A A . 7 LYS CG 1 1 7 2701 1 1 7 LYS H H -9.348 -1.336 -1.612 1.00 . A A . 7 LYS H 1 1 7 2702 1 1 7 LYS HA H -7.251 -0.810 -3.411 1.00 . A A . 7 LYS HA 1 1 7 2703 1 1 7 LYS HB2 H -9.903 0.591 -3.129 1.00 . A A . 7 LYS HB2 1 1 7 2704 1 1 7 LYS HB3 H -8.823 0.711 -4.513 1.00 . A A . 7 LYS HB3 1 1 7 2705 1 1 7 LYS HD2 H -11.660 -0.163 -4.585 1.00 . A A . 7 LYS HD2 1 1 7 2706 1 1 7 LYS HD3 H -10.677 -0.279 -6.044 1.00 . A A . 7 LYS HD3 1 1 7 2707 1 1 7 LYS HE2 H -12.599 -1.748 -6.191 1.00 . A A . 7 LYS HE2 1 1 7 2708 1 1 7 LYS HE3 H -11.104 -2.680 -6.149 1.00 . A A . 7 LYS HE3 1 1 7 2709 1 1 7 LYS HG2 H -9.074 -1.643 -4.961 1.00 . A A . 7 LYS HG2 1 1 7 2710 1 1 7 LYS HG3 H -10.093 -1.833 -3.543 1.00 . A A . 7 LYS HG3 1 1 7 2711 1 1 7 LYS HZ1 H -12.857 -2.198 -3.793 1.00 . A A . 7 LYS HZ1 1 1 7 2712 1 1 7 LYS HZ2 H -11.489 -3.167 -3.819 1.00 . A A . 7 LYS HZ2 1 1 7 2713 1 1 7 LYS HZ3 H -12.854 -3.603 -4.708 1.00 . A A . 7 LYS HZ3 1 1 7 2714 1 1 7 LYS N N -8.393 -1.149 -1.736 1.00 . A A . 7 LYS N 1 1 7 2715 1 1 7 LYS NZ N -12.268 -2.802 -4.402 1.00 . A A . 7 LYS NZ 1 1 7 2716 1 1 7 LYS O O -7.697 1.509 -1.229 1.00 . A A . 7 LYS O 1 1 7 2717 1 1 8 CYS C C -5.748 3.790 -3.495 1.00 . A A . 8 CYS C 1 1 7 2718 1 1 8 CYS CA C -5.583 2.602 -2.576 1.00 . A A . 8 CYS CA 1 1 7 2719 1 1 8 CYS CB C -4.120 2.194 -2.522 1.00 . A A . 8 CYS CB 1 1 7 2720 1 1 8 CYS H H -6.156 1.087 -3.897 1.00 . A A . 8 CYS H 1 1 7 2721 1 1 8 CYS HA H -5.894 2.868 -1.578 1.00 . A A . 8 CYS HA 1 1 7 2722 1 1 8 CYS HB2 H -3.518 3.066 -2.307 1.00 . A A . 8 CYS HB2 1 1 7 2723 1 1 8 CYS HB3 H -3.983 1.467 -1.735 1.00 . A A . 8 CYS HB3 1 1 7 2724 1 1 8 CYS N N -6.363 1.479 -3.020 1.00 . A A . 8 CYS N 1 1 7 2725 1 1 8 CYS O O -6.025 3.637 -4.686 1.00 . A A . 8 CYS O 1 1 7 2726 1 1 8 CYS SG S -3.498 1.458 -4.077 1.00 . A A . 8 CYS SG 1 1 7 2727 1 1 9 SER C C -4.245 6.716 -3.889 1.00 . A A . 9 SER C 1 1 7 2728 1 1 9 SER CA C -5.669 6.170 -3.711 1.00 . A A . 9 SER CA 1 1 7 2729 1 1 9 SER CB C -6.541 7.193 -2.995 1.00 . A A . 9 SER CB 1 1 7 2730 1 1 9 SER H H -5.562 5.019 -1.955 1.00 . A A . 9 SER H 1 1 7 2731 1 1 9 SER HA H -6.099 5.951 -4.675 1.00 . A A . 9 SER HA 1 1 7 2732 1 1 9 SER HB2 H -6.059 7.483 -2.074 1.00 . A A . 9 SER HB2 1 1 7 2733 1 1 9 SER HB3 H -6.674 8.060 -3.625 1.00 . A A . 9 SER HB3 1 1 7 2734 1 1 9 SER HG H -7.929 6.733 -1.736 1.00 . A A . 9 SER HG 1 1 7 2735 1 1 9 SER N N -5.632 4.960 -2.940 1.00 . A A . 9 SER N 1 1 7 2736 1 1 9 SER O O -3.980 7.518 -4.784 1.00 . A A . 9 SER O 1 1 7 2737 1 1 9 SER OG O -7.823 6.641 -2.691 1.00 . A A . 9 SER OG 1 1 7 2738 1 1 10 ASP C C -1.141 5.765 -2.202 1.00 . A A . 10 ASP C 1 1 7 2739 1 1 10 ASP CA C -1.955 6.731 -3.048 1.00 . A A . 10 ASP CA 1 1 7 2740 1 1 10 ASP CB C -1.887 8.157 -2.438 1.00 . A A . 10 ASP CB 1 1 7 2741 1 1 10 ASP CG C -0.528 8.815 -2.554 1.00 . A A . 10 ASP CG 1 1 7 2742 1 1 10 ASP H H -3.567 5.565 -2.392 1.00 . A A . 10 ASP H 1 1 7 2743 1 1 10 ASP HA H -1.584 6.744 -4.061 1.00 . A A . 10 ASP HA 1 1 7 2744 1 1 10 ASP HB2 H -2.605 8.787 -2.940 1.00 . A A . 10 ASP HB2 1 1 7 2745 1 1 10 ASP HB3 H -2.148 8.096 -1.392 1.00 . A A . 10 ASP HB3 1 1 7 2746 1 1 10 ASP N N -3.335 6.260 -3.044 1.00 . A A . 10 ASP N 1 1 7 2747 1 1 10 ASP O O -1.718 4.941 -1.497 1.00 . A A . 10 ASP O 1 1 7 2748 1 1 10 ASP OD1 O 0.346 8.558 -1.719 1.00 . A A . 10 ASP OD1 1 1 7 2749 1 1 10 ASP OD2 O -0.318 9.615 -3.499 1.00 . A A . 10 ASP OD2 1 1 7 2750 1 1 11 ASP C C 0.954 5.392 -0.011 1.00 . A A . 11 ASP C 1 1 7 2751 1 1 11 ASP CA C 1.041 4.996 -1.467 1.00 . A A . 11 ASP CA 1 1 7 2752 1 1 11 ASP CB C 2.499 5.087 -1.942 1.00 . A A . 11 ASP CB 1 1 7 2753 1 1 11 ASP CG C 2.708 4.574 -3.347 1.00 . A A . 11 ASP CG 1 1 7 2754 1 1 11 ASP H H 0.565 6.580 -2.790 1.00 . A A . 11 ASP H 1 1 7 2755 1 1 11 ASP HA H 0.690 3.981 -1.576 1.00 . A A . 11 ASP HA 1 1 7 2756 1 1 11 ASP HB2 H 2.814 6.120 -1.913 1.00 . A A . 11 ASP HB2 1 1 7 2757 1 1 11 ASP HB3 H 3.121 4.513 -1.271 1.00 . A A . 11 ASP HB3 1 1 7 2758 1 1 11 ASP N N 0.166 5.864 -2.251 1.00 . A A . 11 ASP N 1 1 7 2759 1 1 11 ASP O O 0.914 4.552 0.885 1.00 . A A . 11 ASP O 1 1 7 2760 1 1 11 ASP OD1 O 2.671 3.356 -3.553 1.00 . A A . 11 ASP OD1 1 1 7 2761 1 1 11 ASP OD2 O 2.929 5.391 -4.271 1.00 . A A . 11 ASP OD2 1 1 7 2762 1 1 12 TYR C C -0.701 7.147 2.063 1.00 . A A . 12 TYR C 1 1 7 2763 1 1 12 TYR CA C 0.731 7.230 1.554 1.00 . A A . 12 TYR CA 1 1 7 2764 1 1 12 TYR CB C 1.254 8.671 1.588 1.00 . A A . 12 TYR CB 1 1 7 2765 1 1 12 TYR CD1 C 3.687 8.723 2.251 1.00 . A A . 12 TYR CD1 1 1 7 2766 1 1 12 TYR CD2 C 3.165 8.943 -0.057 1.00 . A A . 12 TYR CD2 1 1 7 2767 1 1 12 TYR CE1 C 5.031 8.820 1.958 1.00 . A A . 12 TYR CE1 1 1 7 2768 1 1 12 TYR CE2 C 4.510 9.039 -0.359 1.00 . A A . 12 TYR CE2 1 1 7 2769 1 1 12 TYR CG C 2.731 8.784 1.253 1.00 . A A . 12 TYR CG 1 1 7 2770 1 1 12 TYR CZ C 5.438 8.979 0.655 1.00 . A A . 12 TYR CZ 1 1 7 2771 1 1 12 TYR H H 0.766 7.313 -0.546 1.00 . A A . 12 TYR H 1 1 7 2772 1 1 12 TYR HA H 1.349 6.618 2.194 1.00 . A A . 12 TYR HA 1 1 7 2773 1 1 12 TYR HB2 H 0.704 9.263 0.872 1.00 . A A . 12 TYR HB2 1 1 7 2774 1 1 12 TYR HB3 H 1.102 9.079 2.577 1.00 . A A . 12 TYR HB3 1 1 7 2775 1 1 12 TYR HD1 H 3.366 8.600 3.275 1.00 . A A . 12 TYR HD1 1 1 7 2776 1 1 12 TYR HD2 H 2.432 8.988 -0.849 1.00 . A A . 12 TYR HD2 1 1 7 2777 1 1 12 TYR HE1 H 5.762 8.769 2.750 1.00 . A A . 12 TYR HE1 1 1 7 2778 1 1 12 TYR HE2 H 4.828 9.164 -1.383 1.00 . A A . 12 TYR HE2 1 1 7 2779 1 1 12 TYR HH H 6.886 9.761 -0.304 1.00 . A A . 12 TYR HH 1 1 7 2780 1 1 12 TYR N N 0.823 6.684 0.215 1.00 . A A . 12 TYR N 1 1 7 2781 1 1 12 TYR O O -1.017 7.586 3.165 1.00 . A A . 12 TYR O 1 1 7 2782 1 1 12 TYR OH O 6.781 9.075 0.365 1.00 . A A . 12 TYR OH 1 1 7 2783 1 1 13 ASP C C -3.098 4.954 2.243 1.00 . A A . 13 ASP C 1 1 7 2784 1 1 13 ASP CA C -2.952 6.328 1.580 1.00 . A A . 13 ASP CA 1 1 7 2785 1 1 13 ASP CB C -3.782 6.432 0.292 1.00 . A A . 13 ASP CB 1 1 7 2786 1 1 13 ASP CG C -5.224 6.028 0.418 1.00 . A A . 13 ASP CG 1 1 7 2787 1 1 13 ASP H H -1.231 6.256 0.372 1.00 . A A . 13 ASP H 1 1 7 2788 1 1 13 ASP HA H -3.267 7.093 2.274 1.00 . A A . 13 ASP HA 1 1 7 2789 1 1 13 ASP HB2 H -3.768 7.457 -0.046 1.00 . A A . 13 ASP HB2 1 1 7 2790 1 1 13 ASP HB3 H -3.318 5.815 -0.463 1.00 . A A . 13 ASP HB3 1 1 7 2791 1 1 13 ASP N N -1.554 6.558 1.250 1.00 . A A . 13 ASP N 1 1 7 2792 1 1 13 ASP O O -4.097 4.654 2.904 1.00 . A A . 13 ASP O 1 1 7 2793 1 1 13 ASP OD1 O -5.638 5.079 -0.261 1.00 . A A . 13 ASP OD1 1 1 7 2794 1 1 13 ASP OD2 O -5.976 6.671 1.163 1.00 . A A . 13 ASP OD2 1 1 7 2795 1 1 14 CYS C C -1.363 2.830 4.041 1.00 . A A . 14 CYS C 1 1 7 2796 1 1 14 CYS CA C -2.039 2.826 2.679 1.00 . A A . 14 CYS CA 1 1 7 2797 1 1 14 CYS CB C -1.310 1.888 1.734 1.00 . A A . 14 CYS CB 1 1 7 2798 1 1 14 CYS H H -1.268 4.475 1.641 1.00 . A A . 14 CYS H 1 1 7 2799 1 1 14 CYS HA H -3.058 2.487 2.788 1.00 . A A . 14 CYS HA 1 1 7 2800 1 1 14 CYS HB2 H -0.298 2.234 1.591 1.00 . A A . 14 CYS HB2 1 1 7 2801 1 1 14 CYS HB3 H -1.296 0.902 2.171 1.00 . A A . 14 CYS HB3 1 1 7 2802 1 1 14 CYS N N -2.064 4.158 2.119 1.00 . A A . 14 CYS N 1 1 7 2803 1 1 14 CYS O O -0.470 3.642 4.293 1.00 . A A . 14 CYS O 1 1 7 2804 1 1 14 CYS SG S -2.092 1.756 0.105 1.00 . A A . 14 CYS SG 1 1 7 2805 1 1 15 CYS C C 0.116 1.145 6.252 1.00 . A A . 15 CYS C 1 1 7 2806 1 1 15 CYS CA C -1.251 1.833 6.262 1.00 . A A . 15 CYS CA 1 1 7 2807 1 1 15 CYS CB C -2.210 1.038 7.145 1.00 . A A . 15 CYS CB 1 1 7 2808 1 1 15 CYS H H -2.553 1.363 4.664 1.00 . A A . 15 CYS H 1 1 7 2809 1 1 15 CYS HA H -1.150 2.825 6.674 1.00 . A A . 15 CYS HA 1 1 7 2810 1 1 15 CYS HB2 H -2.305 0.039 6.747 1.00 . A A . 15 CYS HB2 1 1 7 2811 1 1 15 CYS HB3 H -1.804 0.983 8.145 1.00 . A A . 15 CYS HB3 1 1 7 2812 1 1 15 CYS N N -1.805 1.954 4.915 1.00 . A A . 15 CYS N 1 1 7 2813 1 1 15 CYS O O 0.469 0.459 5.286 1.00 . A A . 15 CYS O 1 1 7 2814 1 1 15 CYS SG S -3.881 1.746 7.255 1.00 . A A . 15 CYS SG 1 1 7 2815 1 1 16 GLY C C 3.139 0.992 6.361 1.00 . A A . 16 GLY C 1 1 7 2816 1 1 16 GLY CA C 2.174 0.731 7.495 1.00 . A A . 16 GLY CA 1 1 7 2817 1 1 16 GLY H H 0.570 1.994 7.999 1.00 . A A . 16 GLY H 1 1 7 2818 1 1 16 GLY HA2 H 2.612 1.100 8.411 1.00 . A A . 16 GLY HA2 1 1 7 2819 1 1 16 GLY HA3 H 2.023 -0.334 7.590 1.00 . A A . 16 GLY HA3 1 1 7 2820 1 1 16 GLY N N 0.883 1.367 7.312 1.00 . A A . 16 GLY N 1 1 7 2821 1 1 16 GLY O O 3.263 2.122 5.886 1.00 . A A . 16 GLY O 1 1 7 2822 1 1 17 SER C C 4.135 -0.426 3.518 1.00 . A A . 17 SER C 1 1 7 2823 1 1 17 SER CA C 4.748 0.029 4.847 1.00 . A A . 17 SER CA 1 1 7 2824 1 1 17 SER CB C 5.934 -0.842 5.237 1.00 . A A . 17 SER CB 1 1 7 2825 1 1 17 SER H H 3.626 -0.939 6.296 1.00 . A A . 17 SER H 1 1 7 2826 1 1 17 SER HA H 5.084 1.051 4.759 1.00 . A A . 17 SER HA 1 1 7 2827 1 1 17 SER HB2 H 6.553 -1.012 4.368 1.00 . A A . 17 SER HB2 1 1 7 2828 1 1 17 SER HB3 H 6.509 -0.349 6.007 1.00 . A A . 17 SER HB3 1 1 7 2829 1 1 17 SER HG H 5.302 -2.688 4.993 1.00 . A A . 17 SER HG 1 1 7 2830 1 1 17 SER N N 3.780 -0.048 5.909 1.00 . A A . 17 SER N 1 1 7 2831 1 1 17 SER O O 4.849 -0.765 2.564 1.00 . A A . 17 SER O 1 1 7 2832 1 1 17 SER OG O 5.478 -2.101 5.737 1.00 . A A . 17 SER OG 1 1 7 2833 1 1 18 LEU C C 2.176 0.286 1.237 1.00 . A A . 18 LEU C 1 1 7 2834 1 1 18 LEU CA C 2.118 -0.830 2.258 1.00 . A A . 18 LEU CA 1 1 7 2835 1 1 18 LEU CB C 0.657 -1.158 2.552 1.00 . A A . 18 LEU CB 1 1 7 2836 1 1 18 LEU CD1 C -1.114 -2.392 3.772 1.00 . A A . 18 LEU CD1 1 1 7 2837 1 1 18 LEU CD2 C 0.985 -3.577 3.167 1.00 . A A . 18 LEU CD2 1 1 7 2838 1 1 18 LEU CG C 0.376 -2.249 3.581 1.00 . A A . 18 LEU CG 1 1 7 2839 1 1 18 LEU H H 2.299 -0.130 4.237 1.00 . A A . 18 LEU H 1 1 7 2840 1 1 18 LEU HA H 2.603 -1.707 1.855 1.00 . A A . 18 LEU HA 1 1 7 2841 1 1 18 LEU HB2 H 0.194 -0.252 2.912 1.00 . A A . 18 LEU HB2 1 1 7 2842 1 1 18 LEU HB3 H 0.182 -1.437 1.623 1.00 . A A . 18 LEU HB3 1 1 7 2843 1 1 18 LEU HD11 H -1.308 -3.180 4.483 1.00 . A A . 18 LEU HD11 1 1 7 2844 1 1 18 LEU HD12 H -1.576 -2.640 2.828 1.00 . A A . 18 LEU HD12 1 1 7 2845 1 1 18 LEU HD13 H -1.524 -1.464 4.142 1.00 . A A . 18 LEU HD13 1 1 7 2846 1 1 18 LEU HD21 H 0.568 -3.883 2.218 1.00 . A A . 18 LEU HD21 1 1 7 2847 1 1 18 LEU HD22 H 0.761 -4.325 3.914 1.00 . A A . 18 LEU HD22 1 1 7 2848 1 1 18 LEU HD23 H 2.055 -3.472 3.073 1.00 . A A . 18 LEU HD23 1 1 7 2849 1 1 18 LEU HG H 0.803 -1.952 4.528 1.00 . A A . 18 LEU HG 1 1 7 2850 1 1 18 LEU N N 2.816 -0.430 3.459 1.00 . A A . 18 LEU N 1 1 7 2851 1 1 18 LEU O O 2.188 1.468 1.595 1.00 . A A . 18 LEU O 1 1 7 2852 1 1 19 CYS C C 1.067 0.601 -1.988 1.00 . A A . 19 CYS C 1 1 7 2853 1 1 19 CYS CA C 2.257 0.832 -1.085 1.00 . A A . 19 CYS CA 1 1 7 2854 1 1 19 CYS CB C 3.572 0.657 -1.837 1.00 . A A . 19 CYS CB 1 1 7 2855 1 1 19 CYS H H 2.135 -1.047 -0.219 1.00 . A A . 19 CYS H 1 1 7 2856 1 1 19 CYS HA H 2.207 1.832 -0.681 1.00 . A A . 19 CYS HA 1 1 7 2857 1 1 19 CYS HB2 H 3.632 -0.351 -2.218 1.00 . A A . 19 CYS HB2 1 1 7 2858 1 1 19 CYS HB3 H 3.600 1.355 -2.661 1.00 . A A . 19 CYS HB3 1 1 7 2859 1 1 19 CYS N N 2.193 -0.089 0.001 1.00 . A A . 19 CYS N 1 1 7 2860 1 1 19 CYS O O 0.353 -0.414 -1.844 1.00 . A A . 19 CYS O 1 1 7 2861 1 1 19 CYS SG S 5.043 0.956 -0.804 1.00 . A A . 19 CYS SG 1 1 7 2862 1 1 20 CYS C C -0.009 0.703 -5.035 1.00 . A A . 20 CYS C 1 1 7 2863 1 1 20 CYS CA C -0.315 1.430 -3.737 1.00 . A A . 20 CYS CA 1 1 7 2864 1 1 20 CYS CB C -0.812 2.842 -4.024 1.00 . A A . 20 CYS CB 1 1 7 2865 1 1 20 CYS H H 1.498 2.222 -3.063 1.00 . A A . 20 CYS H 1 1 7 2866 1 1 20 CYS HA H -1.088 0.899 -3.202 1.00 . A A . 20 CYS HA 1 1 7 2867 1 1 20 CYS HB2 H -0.945 3.365 -3.089 1.00 . A A . 20 CYS HB2 1 1 7 2868 1 1 20 CYS HB3 H -0.069 3.360 -4.612 1.00 . A A . 20 CYS HB3 1 1 7 2869 1 1 20 CYS N N 0.846 1.495 -2.907 1.00 . A A . 20 CYS N 1 1 7 2870 1 1 20 CYS O O 0.833 1.137 -5.833 1.00 . A A . 20 CYS O 1 1 7 2871 1 1 20 CYS SG S -2.387 2.927 -4.921 1.00 . A A . 20 CYS SG 1 1 7 2872 1 1 21 VAL C C -1.958 -1.658 -6.849 1.00 . A A . 21 VAL C 1 1 7 2873 1 1 21 VAL CA C -0.562 -1.203 -6.442 1.00 . A A . 21 VAL CA 1 1 7 2874 1 1 21 VAL CB C 0.394 -2.442 -6.249 1.00 . A A . 21 VAL CB 1 1 7 2875 1 1 21 VAL CG1 C 1.851 -2.005 -6.196 1.00 . A A . 21 VAL CG1 1 1 7 2876 1 1 21 VAL CG2 C 0.052 -3.223 -4.982 1.00 . A A . 21 VAL CG2 1 1 7 2877 1 1 21 VAL H H -1.287 -0.710 -4.526 1.00 . A A . 21 VAL H 1 1 7 2878 1 1 21 VAL HA H -0.169 -0.559 -7.215 1.00 . A A . 21 VAL HA 1 1 7 2879 1 1 21 VAL HB H 0.270 -3.095 -7.100 1.00 . A A . 21 VAL HB 1 1 7 2880 1 1 21 VAL HG11 H 2.483 -2.870 -6.062 1.00 . A A . 21 VAL HG11 1 1 7 2881 1 1 21 VAL HG12 H 1.992 -1.325 -5.367 1.00 . A A . 21 VAL HG12 1 1 7 2882 1 1 21 VAL HG13 H 2.113 -1.506 -7.117 1.00 . A A . 21 VAL HG13 1 1 7 2883 1 1 21 VAL HG21 H 0.162 -2.578 -4.123 1.00 . A A . 21 VAL HG21 1 1 7 2884 1 1 21 VAL HG22 H 0.719 -4.068 -4.887 1.00 . A A . 21 VAL HG22 1 1 7 2885 1 1 21 VAL HG23 H -0.968 -3.574 -5.040 1.00 . A A . 21 VAL HG23 1 1 7 2886 1 1 21 VAL N N -0.677 -0.399 -5.234 1.00 . A A . 21 VAL N 1 1 7 2887 1 1 21 VAL O O -2.202 -2.831 -7.162 1.00 . A A . 21 VAL O 1 1 7 2888 1 1 22 GLY C C -4.958 -1.205 -5.742 1.00 . A A . 22 GLY C 1 1 7 2889 1 1 22 GLY CA C -4.283 -1.008 -7.069 1.00 . A A . 22 GLY CA 1 1 7 2890 1 1 22 GLY H H -2.628 0.215 -6.640 1.00 . A A . 22 GLY H 1 1 7 2891 1 1 22 GLY HA2 H -4.739 -0.189 -7.603 1.00 . A A . 22 GLY HA2 1 1 7 2892 1 1 22 GLY HA3 H -4.369 -1.916 -7.646 1.00 . A A . 22 GLY HA3 1 1 7 2893 1 1 22 GLY N N -2.881 -0.715 -6.827 1.00 . A A . 22 GLY N 1 1 7 2894 1 1 22 GLY O O -6.000 -0.618 -5.437 1.00 . A A . 22 GLY O 1 1 7 2895 1 1 23 ILE C C -3.474 -2.005 -2.739 1.00 . A A . 23 ILE C 1 1 7 2896 1 1 23 ILE CA C -4.687 -2.271 -3.601 1.00 . A A . 23 ILE CA 1 1 7 2897 1 1 23 ILE CB C -5.153 -3.745 -3.400 1.00 . A A . 23 ILE CB 1 1 7 2898 1 1 23 ILE CD1 C -4.403 -6.197 -3.673 1.00 . A A . 23 ILE CD1 1 1 7 2899 1 1 23 ILE CG1 C -4.068 -4.735 -3.890 1.00 . A A . 23 ILE CG1 1 1 7 2900 1 1 23 ILE CG2 C -6.490 -3.992 -4.101 1.00 . A A . 23 ILE CG2 1 1 7 2901 1 1 23 ILE H H -3.506 -2.441 -5.288 1.00 . A A . 23 ILE H 1 1 7 2902 1 1 23 ILE HA H -5.479 -1.597 -3.313 1.00 . A A . 23 ILE HA 1 1 7 2903 1 1 23 ILE HB H -5.309 -3.895 -2.341 1.00 . A A . 23 ILE HB 1 1 7 2904 1 1 23 ILE HD11 H -3.606 -6.811 -4.067 1.00 . A A . 23 ILE HD11 1 1 7 2905 1 1 23 ILE HD12 H -5.327 -6.436 -4.178 1.00 . A A . 23 ILE HD12 1 1 7 2906 1 1 23 ILE HD13 H -4.510 -6.388 -2.616 1.00 . A A . 23 ILE HD13 1 1 7 2907 1 1 23 ILE HG12 H -3.914 -4.590 -4.949 1.00 . A A . 23 ILE HG12 1 1 7 2908 1 1 23 ILE HG13 H -3.144 -4.521 -3.372 1.00 . A A . 23 ILE HG13 1 1 7 2909 1 1 23 ILE HG21 H -6.382 -3.796 -5.157 1.00 . A A . 23 ILE HG21 1 1 7 2910 1 1 23 ILE HG22 H -7.242 -3.335 -3.688 1.00 . A A . 23 ILE HG22 1 1 7 2911 1 1 23 ILE HG23 H -6.790 -5.019 -3.954 1.00 . A A . 23 ILE HG23 1 1 7 2912 1 1 23 ILE N N -4.314 -2.005 -4.947 1.00 . A A . 23 ILE N 1 1 7 2913 1 1 23 ILE O O -2.353 -1.899 -3.265 1.00 . A A . 23 ILE O 1 1 7 2914 1 1 24 CYS C C -1.935 -3.011 -0.279 1.00 . A A . 24 CYS C 1 1 7 2915 1 1 24 CYS CA C -2.593 -1.677 -0.556 1.00 . A A . 24 CYS CA 1 1 7 2916 1 1 24 CYS CB C -3.079 -1.026 0.729 1.00 . A A . 24 CYS CB 1 1 7 2917 1 1 24 CYS H H -4.605 -1.821 -1.143 1.00 . A A . 24 CYS H 1 1 7 2918 1 1 24 CYS HA H -1.869 -1.028 -1.025 1.00 . A A . 24 CYS HA 1 1 7 2919 1 1 24 CYS HB2 H -3.851 -1.643 1.165 1.00 . A A . 24 CYS HB2 1 1 7 2920 1 1 24 CYS HB3 H -2.253 -0.953 1.421 1.00 . A A . 24 CYS HB3 1 1 7 2921 1 1 24 CYS N N -3.678 -1.850 -1.476 1.00 . A A . 24 CYS N 1 1 7 2922 1 1 24 CYS O O -2.573 -3.946 0.253 1.00 . A A . 24 CYS O 1 1 7 2923 1 1 24 CYS SG S -3.750 0.644 0.479 1.00 . A A . 24 CYS SG 1 1 7 2924 1 1 25 ALA C C 1.542 -3.901 -0.348 1.00 . A A . 25 ALA C 1 1 7 2925 1 1 25 ALA CA C 0.097 -4.310 -0.515 1.00 . A A . 25 ALA CA 1 1 7 2926 1 1 25 ALA CB C -0.061 -5.220 -1.724 1.00 . A A . 25 ALA CB 1 1 7 2927 1 1 25 ALA H H -0.256 -2.344 -1.114 1.00 . A A . 25 ALA H 1 1 7 2928 1 1 25 ALA HA H -0.242 -4.829 0.370 1.00 . A A . 25 ALA HA 1 1 7 2929 1 1 25 ALA HB1 H 0.542 -6.104 -1.587 1.00 . A A . 25 ALA HB1 1 1 7 2930 1 1 25 ALA HB2 H 0.262 -4.696 -2.612 1.00 . A A . 25 ALA HB2 1 1 7 2931 1 1 25 ALA HB3 H -1.098 -5.503 -1.829 1.00 . A A . 25 ALA HB3 1 1 7 2932 1 1 25 ALA N N -0.691 -3.116 -0.682 1.00 . A A . 25 ALA N 1 1 7 2933 1 1 25 ALA O O 1.879 -2.739 -0.576 1.00 . A A . 25 ALA O 1 1 7 2934 1 1 26 LYS C C 4.486 -4.685 -1.084 1.00 . A A . 26 LYS C 1 1 7 2935 1 1 26 LYS CA C 3.776 -4.495 0.244 1.00 . A A . 26 LYS CA 1 1 7 2936 1 1 26 LYS CB C 4.407 -5.368 1.345 1.00 . A A . 26 LYS CB 1 1 7 2937 1 1 26 LYS CD C 6.370 -5.794 2.881 1.00 . A A . 26 LYS CD 1 1 7 2938 1 1 26 LYS CE C 7.704 -5.253 3.381 1.00 . A A . 26 LYS CE 1 1 7 2939 1 1 26 LYS CG C 5.805 -4.920 1.772 1.00 . A A . 26 LYS CG 1 1 7 2940 1 1 26 LYS H H 2.080 -5.730 0.207 1.00 . A A . 26 LYS H 1 1 7 2941 1 1 26 LYS HA H 3.841 -3.453 0.523 1.00 . A A . 26 LYS HA 1 1 7 2942 1 1 26 LYS HB2 H 3.766 -5.357 2.213 1.00 . A A . 26 LYS HB2 1 1 7 2943 1 1 26 LYS HB3 H 4.477 -6.379 0.974 1.00 . A A . 26 LYS HB3 1 1 7 2944 1 1 26 LYS HD2 H 5.669 -5.816 3.701 1.00 . A A . 26 LYS HD2 1 1 7 2945 1 1 26 LYS HD3 H 6.514 -6.794 2.502 1.00 . A A . 26 LYS HD3 1 1 7 2946 1 1 26 LYS HE2 H 8.408 -5.249 2.562 1.00 . A A . 26 LYS HE2 1 1 7 2947 1 1 26 LYS HE3 H 7.556 -4.243 3.730 1.00 . A A . 26 LYS HE3 1 1 7 2948 1 1 26 LYS HG2 H 6.464 -4.972 0.918 1.00 . A A . 26 LYS HG2 1 1 7 2949 1 1 26 LYS HG3 H 5.750 -3.900 2.120 1.00 . A A . 26 LYS HG3 1 1 7 2950 1 1 26 LYS HZ1 H 7.596 -6.133 5.276 1.00 . A A . 26 LYS HZ1 1 1 7 2951 1 1 26 LYS HZ2 H 9.146 -5.668 4.851 1.00 . A A . 26 LYS HZ2 1 1 7 2952 1 1 26 LYS HZ3 H 8.461 -7.039 4.163 1.00 . A A . 26 LYS HZ3 1 1 7 2953 1 1 26 LYS N N 2.384 -4.809 0.061 1.00 . A A . 26 LYS N 1 1 7 2954 1 1 26 LYS NZ N 8.261 -6.069 4.481 1.00 . A A . 26 LYS NZ 1 1 7 2955 1 1 26 LYS O O 4.086 -5.525 -1.906 1.00 . A A . 26 LYS O 1 1 7 2956 1 1 27 THR C C 7.639 -4.359 -2.323 1.00 . A A . 27 THR C 1 1 7 2957 1 1 27 THR CA C 6.194 -3.936 -2.546 1.00 . A A . 27 THR CA 1 1 7 2958 1 1 27 THR CB C 6.137 -2.546 -3.193 1.00 . A A . 27 THR CB 1 1 7 2959 1 1 27 THR CG2 C 4.748 -2.259 -3.744 1.00 . A A . 27 THR CG2 1 1 7 2960 1 1 27 THR H H 5.791 -3.259 -0.644 1.00 . A A . 27 THR H 1 1 7 2961 1 1 27 THR HA H 5.704 -4.636 -3.205 1.00 . A A . 27 THR HA 1 1 7 2962 1 1 27 THR HB H 6.858 -2.510 -3.994 1.00 . A A . 27 THR HB 1 1 7 2963 1 1 27 THR HG1 H 7.225 -1.040 -2.577 1.00 . A A . 27 THR HG1 1 1 7 2964 1 1 27 THR HG21 H 4.713 -1.254 -4.137 1.00 . A A . 27 THR HG21 1 1 7 2965 1 1 27 THR HG22 H 4.018 -2.367 -2.956 1.00 . A A . 27 THR HG22 1 1 7 2966 1 1 27 THR HG23 H 4.524 -2.958 -4.534 1.00 . A A . 27 THR HG23 1 1 7 2967 1 1 27 THR N N 5.483 -3.904 -1.314 1.00 . A A . 27 THR N 1 1 7 2968 1 1 27 THR O O 8.096 -4.465 -1.165 1.00 . A A . 27 THR O 1 1 7 2969 1 1 27 THR OG1 O 6.488 -1.552 -2.213 1.00 . A A . 27 THR OG1 1 1 7 2970 1 1 28 ILE C C 10.526 -3.705 -2.927 1.00 . A A . 28 ILE C 1 1 7 2971 1 1 28 ILE CA C 9.752 -4.964 -3.313 1.00 . A A . 28 ILE CA 1 1 7 2972 1 1 28 ILE CB C 10.292 -5.554 -4.647 1.00 . A A . 28 ILE CB 1 1 7 2973 1 1 28 ILE CD1 C 9.896 -7.448 -6.344 1.00 . A A . 28 ILE CD1 1 1 7 2974 1 1 28 ILE CG1 C 9.491 -6.815 -5.026 1.00 . A A . 28 ILE CG1 1 1 7 2975 1 1 28 ILE CG2 C 11.785 -5.880 -4.528 1.00 . A A . 28 ILE CG2 1 1 7 2976 1 1 28 ILE H H 7.901 -4.627 -4.275 1.00 . A A . 28 ILE H 1 1 7 2977 1 1 28 ILE HA H 9.866 -5.693 -2.523 1.00 . A A . 28 ILE HA 1 1 7 2978 1 1 28 ILE HB H 10.164 -4.814 -5.421 1.00 . A A . 28 ILE HB 1 1 7 2979 1 1 28 ILE HD11 H 10.935 -7.740 -6.297 1.00 . A A . 28 ILE HD11 1 1 7 2980 1 1 28 ILE HD12 H 9.761 -6.735 -7.144 1.00 . A A . 28 ILE HD12 1 1 7 2981 1 1 28 ILE HD13 H 9.285 -8.318 -6.530 1.00 . A A . 28 ILE HD13 1 1 7 2982 1 1 28 ILE HG12 H 9.631 -7.559 -4.256 1.00 . A A . 28 ILE HG12 1 1 7 2983 1 1 28 ILE HG13 H 8.442 -6.562 -5.083 1.00 . A A . 28 ILE HG13 1 1 7 2984 1 1 28 ILE HG21 H 12.141 -6.286 -5.464 1.00 . A A . 28 ILE HG21 1 1 7 2985 1 1 28 ILE HG22 H 11.935 -6.605 -3.741 1.00 . A A . 28 ILE HG22 1 1 7 2986 1 1 28 ILE HG23 H 12.332 -4.979 -4.295 1.00 . A A . 28 ILE HG23 1 1 7 2987 1 1 28 ILE N N 8.347 -4.633 -3.401 1.00 . A A . 28 ILE N 1 1 7 2988 1 1 28 ILE O O 11.287 -3.703 -1.963 1.00 . A A . 28 ILE O 1 1 7 2989 1 1 29 ALA C C 9.929 -0.530 -2.523 1.00 . A A . 29 ALA C 1 1 7 2990 1 1 29 ALA CA C 10.906 -1.365 -3.345 1.00 . A A . 29 ALA CA 1 1 7 2991 1 1 29 ALA CB C 11.287 -0.630 -4.613 1.00 . A A . 29 ALA CB 1 1 7 2992 1 1 29 ALA H H 9.713 -2.703 -4.441 1.00 . A A . 29 ALA H 1 1 7 2993 1 1 29 ALA HA H 11.797 -1.555 -2.765 1.00 . A A . 29 ALA HA 1 1 7 2994 1 1 29 ALA HB1 H 10.406 -0.474 -5.218 1.00 . A A . 29 ALA HB1 1 1 7 2995 1 1 29 ALA HB2 H 12.015 -1.207 -5.161 1.00 . A A . 29 ALA HB2 1 1 7 2996 1 1 29 ALA HB3 H 11.708 0.324 -4.340 1.00 . A A . 29 ALA HB3 1 1 7 2997 1 1 29 ALA N N 10.300 -2.638 -3.659 1.00 . A A . 29 ALA N 1 1 7 2998 1 1 29 ALA O O 8.772 -0.351 -2.929 1.00 . A A . 29 ALA O 1 1 7 2999 1 1 30 PRO C C 9.155 2.139 -1.082 1.00 . A A . 30 PRO C 1 1 7 3000 1 1 30 PRO CA C 9.497 0.768 -0.483 1.00 . A A . 30 PRO CA 1 1 7 3001 1 1 30 PRO CB C 10.318 0.913 0.799 1.00 . A A . 30 PRO CB 1 1 7 3002 1 1 30 PRO CD C 11.723 -0.162 -0.827 1.00 . A A . 30 PRO CD 1 1 7 3003 1 1 30 PRO CG C 11.735 0.748 0.369 1.00 . A A . 30 PRO CG 1 1 7 3004 1 1 30 PRO HA H 8.576 0.242 -0.276 1.00 . A A . 30 PRO HA 1 1 7 3005 1 1 30 PRO HB2 H 10.141 1.886 1.231 1.00 . A A . 30 PRO HB2 1 1 7 3006 1 1 30 PRO HB3 H 10.027 0.145 1.501 1.00 . A A . 30 PRO HB3 1 1 7 3007 1 1 30 PRO HD2 H 12.451 0.170 -1.553 1.00 . A A . 30 PRO HD2 1 1 7 3008 1 1 30 PRO HD3 H 11.919 -1.186 -0.546 1.00 . A A . 30 PRO HD3 1 1 7 3009 1 1 30 PRO HG2 H 12.143 1.710 0.095 1.00 . A A . 30 PRO HG2 1 1 7 3010 1 1 30 PRO HG3 H 12.316 0.311 1.168 1.00 . A A . 30 PRO HG3 1 1 7 3011 1 1 30 PRO N N 10.358 -0.021 -1.366 1.00 . A A . 30 PRO N 1 1 7 3012 1 1 30 PRO O O 9.972 2.756 -1.779 1.00 . A A . 30 PRO O 1 1 7 3013 1 1 31 CYS C C 7.496 4.956 -0.333 1.00 . A A . 31 CYS C 1 1 7 3014 1 1 31 CYS CA C 7.464 3.839 -1.370 1.00 . A A . 31 CYS CA 1 1 7 3015 1 1 31 CYS CB C 6.037 3.626 -1.827 1.00 . A A . 31 CYS CB 1 1 7 3016 1 1 31 CYS H H 7.335 2.068 -0.276 1.00 . A A . 31 CYS H 1 1 7 3017 1 1 31 CYS HA H 8.057 4.110 -2.230 1.00 . A A . 31 CYS HA 1 1 7 3018 1 1 31 CYS HB2 H 5.618 4.571 -2.141 1.00 . A A . 31 CYS HB2 1 1 7 3019 1 1 31 CYS HB3 H 6.017 2.927 -2.650 1.00 . A A . 31 CYS HB3 1 1 7 3020 1 1 31 CYS N N 7.957 2.588 -0.828 1.00 . A A . 31 CYS N 1 1 7 3021 1 1 31 CYS O O 7.253 6.117 -0.657 1.00 . A A . 31 CYS O 1 1 7 3022 1 1 31 CYS SG S 4.983 2.954 -0.500 1.00 . A A . 31 CYS SG 1 1 7 3023 1 1 32 LYS C C 9.167 5.726 2.510 1.00 . A A . 32 LYS C 1 1 7 3024 1 1 32 LYS CA C 7.777 5.586 1.962 1.00 . A A . 32 LYS CA 1 1 7 3025 1 1 32 LYS CB C 6.801 5.192 3.067 1.00 . A A . 32 LYS CB 1 1 7 3026 1 1 32 LYS CD C 4.471 4.652 3.759 1.00 . A A . 32 LYS CD 1 1 7 3027 1 1 32 LYS CE C 3.056 4.373 3.309 1.00 . A A . 32 LYS CE 1 1 7 3028 1 1 32 LYS CG C 5.373 4.987 2.597 1.00 . A A . 32 LYS CG 1 1 7 3029 1 1 32 LYS H H 8.049 3.697 1.111 1.00 . A A . 32 LYS H 1 1 7 3030 1 1 32 LYS HA H 7.474 6.532 1.539 1.00 . A A . 32 LYS HA 1 1 7 3031 1 1 32 LYS HB2 H 7.138 4.276 3.523 1.00 . A A . 32 LYS HB2 1 1 7 3032 1 1 32 LYS HB3 H 6.801 5.974 3.811 1.00 . A A . 32 LYS HB3 1 1 7 3033 1 1 32 LYS HD2 H 4.854 3.776 4.263 1.00 . A A . 32 LYS HD2 1 1 7 3034 1 1 32 LYS HD3 H 4.464 5.486 4.445 1.00 . A A . 32 LYS HD3 1 1 7 3035 1 1 32 LYS HE2 H 2.697 5.220 2.745 1.00 . A A . 32 LYS HE2 1 1 7 3036 1 1 32 LYS HE3 H 3.056 3.495 2.680 1.00 . A A . 32 LYS HE3 1 1 7 3037 1 1 32 LYS HG2 H 5.023 5.895 2.128 1.00 . A A . 32 LYS HG2 1 1 7 3038 1 1 32 LYS HG3 H 5.350 4.177 1.884 1.00 . A A . 32 LYS HG3 1 1 7 3039 1 1 32 LYS HZ1 H 2.520 3.348 5.038 1.00 . A A . 32 LYS HZ1 1 1 7 3040 1 1 32 LYS HZ2 H 1.192 3.940 4.167 1.00 . A A . 32 LYS HZ2 1 1 7 3041 1 1 32 LYS HZ3 H 2.143 4.987 5.065 1.00 . A A . 32 LYS HZ3 1 1 7 3042 1 1 32 LYS N N 7.785 4.614 0.900 1.00 . A A . 32 LYS N 1 1 7 3043 1 1 32 LYS NZ N 2.172 4.143 4.460 1.00 . A A . 32 LYS NZ 1 1 7 3044 1 1 32 LYS O O 9.795 6.768 2.279 1.00 . A A . 32 LYS O 1 1 7 3045 1 1 32 LYS OXT O 9.689 4.741 3.075 1.00 . A A . 32 LYS OXT 1 1 8 3046 1 1 1 CYS C C -6.274 2.964 5.537 1.00 . A A . 1 CYS C 1 1 8 3047 1 1 1 CYS CA C -5.740 4.314 5.951 1.00 . A A . 1 CYS CA 1 1 8 3048 1 1 1 CYS CB C -4.271 4.215 6.391 1.00 . A A . 1 CYS CB 1 1 8 3049 1 1 1 CYS H1 H -6.194 5.769 7.343 1.00 . A A . 1 CYS H1 1 1 8 3050 1 1 1 CYS H2 H -6.562 4.167 7.818 1.00 . A A . 1 CYS H2 1 1 8 3051 1 1 1 CYS H3 H -7.527 4.955 6.697 1.00 . A A . 1 CYS H3 1 1 8 3052 1 1 1 CYS HA H -5.814 4.986 5.108 1.00 . A A . 1 CYS HA 1 1 8 3053 1 1 1 CYS HB2 H -3.704 3.729 5.611 1.00 . A A . 1 CYS HB2 1 1 8 3054 1 1 1 CYS HB3 H -3.881 5.209 6.540 1.00 . A A . 1 CYS HB3 1 1 8 3055 1 1 1 CYS N N -6.549 4.845 7.030 1.00 . A A . 1 CYS N 1 1 8 3056 1 1 1 CYS O O -6.961 2.293 6.322 1.00 . A A . 1 CYS O 1 1 8 3057 1 1 1 CYS SG S -3.989 3.270 7.936 1.00 . A A . 1 CYS SG 1 1 8 3058 1 1 2 ALA C C -5.366 0.258 4.114 1.00 . A A . 2 ALA C 1 1 8 3059 1 1 2 ALA CA C -6.430 1.299 3.812 1.00 . A A . 2 ALA CA 1 1 8 3060 1 1 2 ALA CB C -6.691 1.392 2.322 1.00 . A A . 2 ALA CB 1 1 8 3061 1 1 2 ALA H H -5.490 3.164 3.716 1.00 . A A . 2 ALA H 1 1 8 3062 1 1 2 ALA HA H -7.347 1.026 4.311 1.00 . A A . 2 ALA HA 1 1 8 3063 1 1 2 ALA HB1 H -7.453 2.135 2.140 1.00 . A A . 2 ALA HB1 1 1 8 3064 1 1 2 ALA HB2 H -7.024 0.436 1.949 1.00 . A A . 2 ALA HB2 1 1 8 3065 1 1 2 ALA HB3 H -5.782 1.681 1.815 1.00 . A A . 2 ALA HB3 1 1 8 3066 1 1 2 ALA N N -6.006 2.576 4.315 1.00 . A A . 2 ALA N 1 1 8 3067 1 1 2 ALA O O -4.153 0.565 4.097 1.00 . A A . 2 ALA O 1 1 8 3068 1 1 3 VAL C C -4.598 -2.840 3.483 1.00 . A A . 3 VAL C 1 1 8 3069 1 1 3 VAL CA C -4.865 -2.011 4.733 1.00 . A A . 3 VAL CA 1 1 8 3070 1 1 3 VAL CB C -5.381 -2.932 5.876 1.00 . A A . 3 VAL CB 1 1 8 3071 1 1 3 VAL CG1 C -5.637 -2.137 7.148 1.00 . A A . 3 VAL CG1 1 1 8 3072 1 1 3 VAL CG2 C -6.626 -3.692 5.451 1.00 . A A . 3 VAL CG2 1 1 8 3073 1 1 3 VAL H H -6.759 -1.131 4.437 1.00 . A A . 3 VAL H 1 1 8 3074 1 1 3 VAL HA H -3.935 -1.554 5.043 1.00 . A A . 3 VAL HA 1 1 8 3075 1 1 3 VAL HB H -4.601 -3.647 6.094 1.00 . A A . 3 VAL HB 1 1 8 3076 1 1 3 VAL HG11 H -5.993 -2.800 7.923 1.00 . A A . 3 VAL HG11 1 1 8 3077 1 1 3 VAL HG12 H -6.381 -1.378 6.954 1.00 . A A . 3 VAL HG12 1 1 8 3078 1 1 3 VAL HG13 H -4.720 -1.666 7.471 1.00 . A A . 3 VAL HG13 1 1 8 3079 1 1 3 VAL HG21 H -7.380 -2.982 5.142 1.00 . A A . 3 VAL HG21 1 1 8 3080 1 1 3 VAL HG22 H -6.997 -4.285 6.273 1.00 . A A . 3 VAL HG22 1 1 8 3081 1 1 3 VAL HG23 H -6.382 -4.331 4.615 1.00 . A A . 3 VAL HG23 1 1 8 3082 1 1 3 VAL N N -5.791 -0.942 4.426 1.00 . A A . 3 VAL N 1 1 8 3083 1 1 3 VAL O O -5.078 -2.502 2.389 1.00 . A A . 3 VAL O 1 1 8 3084 1 1 4 THR C C -4.780 -5.336 1.899 1.00 . A A . 4 THR C 1 1 8 3085 1 1 4 THR CA C -3.502 -4.786 2.557 1.00 . A A . 4 THR CA 1 1 8 3086 1 1 4 THR CB C -2.623 -5.946 3.070 1.00 . A A . 4 THR CB 1 1 8 3087 1 1 4 THR CG2 C -2.063 -6.758 1.904 1.00 . A A . 4 THR CG2 1 1 8 3088 1 1 4 THR H H -3.480 -4.139 4.523 1.00 . A A . 4 THR H 1 1 8 3089 1 1 4 THR HA H -2.940 -4.222 1.826 1.00 . A A . 4 THR HA 1 1 8 3090 1 1 4 THR HB H -3.217 -6.585 3.706 1.00 . A A . 4 THR HB 1 1 8 3091 1 1 4 THR HG1 H -0.709 -5.804 3.503 1.00 . A A . 4 THR HG1 1 1 8 3092 1 1 4 THR HG21 H -1.455 -6.121 1.280 1.00 . A A . 4 THR HG21 1 1 8 3093 1 1 4 THR HG22 H -2.880 -7.157 1.320 1.00 . A A . 4 THR HG22 1 1 8 3094 1 1 4 THR HG23 H -1.463 -7.573 2.282 1.00 . A A . 4 THR HG23 1 1 8 3095 1 1 4 THR N N -3.836 -3.907 3.641 1.00 . A A . 4 THR N 1 1 8 3096 1 1 4 THR O O -5.732 -5.719 2.591 1.00 . A A . 4 THR O 1 1 8 3097 1 1 4 THR OG1 O -1.523 -5.396 3.830 1.00 . A A . 4 THR OG1 1 1 8 3098 1 1 5 HIS C C -7.086 -4.793 -0.363 1.00 . A A . 5 HIS C 1 1 8 3099 1 1 5 HIS CA C -5.902 -5.763 -0.272 1.00 . A A . 5 HIS CA 1 1 8 3100 1 1 5 HIS CB C -6.351 -7.207 0.065 1.00 . A A . 5 HIS CB 1 1 8 3101 1 1 5 HIS CD2 C -4.542 -8.590 -1.194 1.00 . A A . 5 HIS CD2 1 1 8 3102 1 1 5 HIS CE1 C -3.908 -9.891 0.415 1.00 . A A . 5 HIS CE1 1 1 8 3103 1 1 5 HIS CG C -5.270 -8.248 -0.102 1.00 . A A . 5 HIS CG 1 1 8 3104 1 1 5 HIS H H -4.032 -4.848 0.136 1.00 . A A . 5 HIS H 1 1 8 3105 1 1 5 HIS HA H -5.473 -5.770 -1.263 1.00 . A A . 5 HIS HA 1 1 8 3106 1 1 5 HIS HB2 H -6.673 -7.236 1.096 1.00 . A A . 5 HIS HB2 1 1 8 3107 1 1 5 HIS HB3 H -7.180 -7.476 -0.571 1.00 . A A . 5 HIS HB3 1 1 8 3108 1 1 5 HIS HD1 H -5.182 -9.102 1.829 1.00 . A A . 5 HIS HD1 1 1 8 3109 1 1 5 HIS HD2 H -4.611 -8.135 -2.171 1.00 . A A . 5 HIS HD2 1 1 8 3110 1 1 5 HIS HE1 H -3.402 -10.658 0.981 1.00 . A A . 5 HIS HE1 1 1 8 3111 1 1 5 HIS N N -4.807 -5.271 0.576 1.00 . A A . 5 HIS N 1 1 8 3112 1 1 5 HIS ND1 N -4.849 -9.088 0.904 1.00 . A A . 5 HIS ND1 1 1 8 3113 1 1 5 HIS NE2 N -3.676 -9.633 -0.861 1.00 . A A . 5 HIS NE2 1 1 8 3114 1 1 5 HIS O O -8.049 -5.054 -1.091 1.00 . A A . 5 HIS O 1 1 8 3115 1 1 6 GLU C C -7.552 -1.685 -0.865 1.00 . A A . 6 GLU C 1 1 8 3116 1 1 6 GLU CA C -8.028 -2.638 0.207 1.00 . A A . 6 GLU CA 1 1 8 3117 1 1 6 GLU CB C -8.276 -1.855 1.506 1.00 . A A . 6 GLU CB 1 1 8 3118 1 1 6 GLU CD C -9.425 -1.661 3.712 1.00 . A A . 6 GLU CD 1 1 8 3119 1 1 6 GLU CG C -9.022 -2.594 2.590 1.00 . A A . 6 GLU CG 1 1 8 3120 1 1 6 GLU H H -6.289 -3.540 0.993 1.00 . A A . 6 GLU H 1 1 8 3121 1 1 6 GLU HA H -8.943 -3.105 -0.124 1.00 . A A . 6 GLU HA 1 1 8 3122 1 1 6 GLU HB2 H -7.317 -1.613 1.939 1.00 . A A . 6 GLU HB2 1 1 8 3123 1 1 6 GLU HB3 H -8.811 -0.945 1.279 1.00 . A A . 6 GLU HB3 1 1 8 3124 1 1 6 GLU HG2 H -9.909 -3.042 2.169 1.00 . A A . 6 GLU HG2 1 1 8 3125 1 1 6 GLU HG3 H -8.380 -3.361 2.995 1.00 . A A . 6 GLU HG3 1 1 8 3126 1 1 6 GLU N N -7.026 -3.685 0.360 1.00 . A A . 6 GLU N 1 1 8 3127 1 1 6 GLU O O -6.349 -1.532 -1.041 1.00 . A A . 6 GLU O 1 1 8 3128 1 1 6 GLU OE1 O -10.554 -1.103 3.663 1.00 . A A . 6 GLU OE1 1 1 8 3129 1 1 6 GLU OE2 O -8.638 -1.450 4.655 1.00 . A A . 6 GLU OE2 1 1 8 3130 1 1 7 LYS C C -7.368 1.060 -2.100 1.00 . A A . 7 LYS C 1 1 8 3131 1 1 7 LYS CA C -8.130 -0.131 -2.655 1.00 . A A . 7 LYS CA 1 1 8 3132 1 1 7 LYS CB C -9.378 0.359 -3.391 1.00 . A A . 7 LYS CB 1 1 8 3133 1 1 7 LYS CD C -11.375 -0.202 -4.898 1.00 . A A . 7 LYS CD 1 1 8 3134 1 1 7 LYS CE C -12.460 0.446 -4.015 1.00 . A A . 7 LYS CE 1 1 8 3135 1 1 7 LYS CG C -10.151 -0.729 -4.113 1.00 . A A . 7 LYS CG 1 1 8 3136 1 1 7 LYS H H -9.422 -1.241 -1.398 1.00 . A A . 7 LYS H 1 1 8 3137 1 1 7 LYS HA H -7.495 -0.650 -3.357 1.00 . A A . 7 LYS HA 1 1 8 3138 1 1 7 LYS HB2 H -10.036 0.810 -2.664 1.00 . A A . 7 LYS HB2 1 1 8 3139 1 1 7 LYS HB3 H -9.081 1.106 -4.113 1.00 . A A . 7 LYS HB3 1 1 8 3140 1 1 7 LYS HD2 H -11.035 0.540 -5.605 1.00 . A A . 7 LYS HD2 1 1 8 3141 1 1 7 LYS HD3 H -11.811 -1.028 -5.441 1.00 . A A . 7 LYS HD3 1 1 8 3142 1 1 7 LYS HE2 H -13.396 0.447 -4.552 1.00 . A A . 7 LYS HE2 1 1 8 3143 1 1 7 LYS HE3 H -12.570 -0.157 -3.126 1.00 . A A . 7 LYS HE3 1 1 8 3144 1 1 7 LYS HG2 H -9.485 -1.214 -4.810 1.00 . A A . 7 LYS HG2 1 1 8 3145 1 1 7 LYS HG3 H -10.487 -1.456 -3.389 1.00 . A A . 7 LYS HG3 1 1 8 3146 1 1 7 LYS HZ1 H -12.909 2.200 -2.985 1.00 . A A . 7 LYS HZ1 1 1 8 3147 1 1 7 LYS HZ2 H -12.129 2.463 -4.438 1.00 . A A . 7 LYS HZ2 1 1 8 3148 1 1 7 LYS HZ3 H -11.247 1.955 -3.115 1.00 . A A . 7 LYS HZ3 1 1 8 3149 1 1 7 LYS N N -8.476 -1.072 -1.589 1.00 . A A . 7 LYS N 1 1 8 3150 1 1 7 LYS NZ N -12.156 1.839 -3.606 1.00 . A A . 7 LYS NZ 1 1 8 3151 1 1 7 LYS O O -7.638 1.518 -0.986 1.00 . A A . 7 LYS O 1 1 8 3152 1 1 8 CYS C C -5.849 3.877 -3.294 1.00 . A A . 8 CYS C 1 1 8 3153 1 1 8 CYS CA C -5.632 2.662 -2.433 1.00 . A A . 8 CYS CA 1 1 8 3154 1 1 8 CYS CB C -4.158 2.258 -2.462 1.00 . A A . 8 CYS CB 1 1 8 3155 1 1 8 CYS H H -6.302 1.191 -3.765 1.00 . A A . 8 CYS H 1 1 8 3156 1 1 8 CYS HA H -5.898 2.898 -1.413 1.00 . A A . 8 CYS HA 1 1 8 3157 1 1 8 CYS HB2 H -3.552 3.133 -2.275 1.00 . A A . 8 CYS HB2 1 1 8 3158 1 1 8 CYS HB3 H -3.978 1.534 -1.681 1.00 . A A . 8 CYS HB3 1 1 8 3159 1 1 8 CYS N N -6.453 1.564 -2.868 1.00 . A A . 8 CYS N 1 1 8 3160 1 1 8 CYS O O -6.021 3.767 -4.517 1.00 . A A . 8 CYS O 1 1 8 3161 1 1 8 CYS SG S -3.592 1.529 -4.041 1.00 . A A . 8 CYS SG 1 1 8 3162 1 1 9 SER C C -4.604 6.799 -3.676 1.00 . A A . 9 SER C 1 1 8 3163 1 1 9 SER CA C -6.009 6.269 -3.384 1.00 . A A . 9 SER CA 1 1 8 3164 1 1 9 SER CB C -6.783 7.266 -2.535 1.00 . A A . 9 SER CB 1 1 8 3165 1 1 9 SER H H -5.903 5.045 -1.678 1.00 . A A . 9 SER H 1 1 8 3166 1 1 9 SER HA H -6.540 6.094 -4.308 1.00 . A A . 9 SER HA 1 1 8 3167 1 1 9 SER HB2 H -6.174 7.571 -1.696 1.00 . A A . 9 SER HB2 1 1 8 3168 1 1 9 SER HB3 H -7.042 8.128 -3.130 1.00 . A A . 9 SER HB3 1 1 8 3169 1 1 9 SER HG H -7.719 6.129 -1.283 1.00 . A A . 9 SER HG 1 1 8 3170 1 1 9 SER N N -5.901 5.025 -2.665 1.00 . A A . 9 SER N 1 1 8 3171 1 1 9 SER O O -4.387 7.546 -4.636 1.00 . A A . 9 SER O 1 1 8 3172 1 1 9 SER OG O -7.985 6.665 -2.047 1.00 . A A . 9 SER OG 1 1 8 3173 1 1 10 ASP C C -1.507 5.836 -2.026 1.00 . A A . 10 ASP C 1 1 8 3174 1 1 10 ASP CA C -2.277 6.781 -2.933 1.00 . A A . 10 ASP CA 1 1 8 3175 1 1 10 ASP CB C -2.117 8.243 -2.445 1.00 . A A . 10 ASP CB 1 1 8 3176 1 1 10 ASP CG C -0.724 8.806 -2.650 1.00 . A A . 10 ASP CG 1 1 8 3177 1 1 10 ASP H H -3.889 5.737 -2.144 1.00 . A A . 10 ASP H 1 1 8 3178 1 1 10 ASP HA H -1.934 6.682 -3.952 1.00 . A A . 10 ASP HA 1 1 8 3179 1 1 10 ASP HB2 H -2.810 8.867 -2.989 1.00 . A A . 10 ASP HB2 1 1 8 3180 1 1 10 ASP HB3 H -2.356 8.288 -1.393 1.00 . A A . 10 ASP HB3 1 1 8 3181 1 1 10 ASP N N -3.665 6.377 -2.852 1.00 . A A . 10 ASP N 1 1 8 3182 1 1 10 ASP O O -2.126 5.092 -1.265 1.00 . A A . 10 ASP O 1 1 8 3183 1 1 10 ASP OD1 O 0.155 8.596 -1.782 1.00 . A A . 10 ASP OD1 1 1 8 3184 1 1 10 ASP OD2 O -0.480 9.463 -3.680 1.00 . A A . 10 ASP OD2 1 1 8 3185 1 1 11 ASP C C 0.523 5.367 0.192 1.00 . A A . 11 ASP C 1 1 8 3186 1 1 11 ASP CA C 0.641 4.992 -1.263 1.00 . A A . 11 ASP CA 1 1 8 3187 1 1 11 ASP CB C 2.105 5.106 -1.685 1.00 . A A . 11 ASP CB 1 1 8 3188 1 1 11 ASP CG C 2.312 4.801 -3.136 1.00 . A A . 11 ASP CG 1 1 8 3189 1 1 11 ASP H H 0.229 6.511 -2.678 1.00 . A A . 11 ASP H 1 1 8 3190 1 1 11 ASP HA H 0.315 3.972 -1.401 1.00 . A A . 11 ASP HA 1 1 8 3191 1 1 11 ASP HB2 H 2.451 6.111 -1.495 1.00 . A A . 11 ASP HB2 1 1 8 3192 1 1 11 ASP HB3 H 2.695 4.415 -1.100 1.00 . A A . 11 ASP HB3 1 1 8 3193 1 1 11 ASP N N -0.202 5.865 -2.078 1.00 . A A . 11 ASP N 1 1 8 3194 1 1 11 ASP O O 0.470 4.507 1.073 1.00 . A A . 11 ASP O 1 1 8 3195 1 1 11 ASP OD1 O 2.454 3.626 -3.490 1.00 . A A . 11 ASP OD1 1 1 8 3196 1 1 11 ASP OD2 O 2.305 5.749 -3.956 1.00 . A A . 11 ASP OD2 1 1 8 3197 1 1 12 TYR C C -1.067 7.038 2.362 1.00 . A A . 12 TYR C 1 1 8 3198 1 1 12 TYR CA C 0.346 7.153 1.820 1.00 . A A . 12 TYR CA 1 1 8 3199 1 1 12 TYR CB C 0.874 8.580 1.914 1.00 . A A . 12 TYR CB 1 1 8 3200 1 1 12 TYR CD1 C 3.295 8.823 2.617 1.00 . A A . 12 TYR CD1 1 1 8 3201 1 1 12 TYR CD2 C 2.818 8.685 0.291 1.00 . A A . 12 TYR CD2 1 1 8 3202 1 1 12 TYR CE1 C 4.644 8.925 2.332 1.00 . A A . 12 TYR CE1 1 1 8 3203 1 1 12 TYR CE2 C 4.161 8.785 0.003 1.00 . A A . 12 TYR CE2 1 1 8 3204 1 1 12 TYR CG C 2.357 8.702 1.601 1.00 . A A . 12 TYR CG 1 1 8 3205 1 1 12 TYR CZ C 5.068 8.905 1.023 1.00 . A A . 12 TYR CZ 1 1 8 3206 1 1 12 TYR H H 0.400 7.299 -0.293 1.00 . A A . 12 TYR H 1 1 8 3207 1 1 12 TYR HA H 0.974 6.509 2.419 1.00 . A A . 12 TYR HA 1 1 8 3208 1 1 12 TYR HB2 H 0.328 9.198 1.219 1.00 . A A . 12 TYR HB2 1 1 8 3209 1 1 12 TYR HB3 H 0.711 8.943 2.917 1.00 . A A . 12 TYR HB3 1 1 8 3210 1 1 12 TYR HD1 H 2.960 8.839 3.643 1.00 . A A . 12 TYR HD1 1 1 8 3211 1 1 12 TYR HD2 H 2.100 8.592 -0.510 1.00 . A A . 12 TYR HD2 1 1 8 3212 1 1 12 TYR HE1 H 5.360 9.021 3.134 1.00 . A A . 12 TYR HE1 1 1 8 3213 1 1 12 TYR HE2 H 4.498 8.768 -1.023 1.00 . A A . 12 TYR HE2 1 1 8 3214 1 1 12 TYR HH H 6.491 9.627 0.001 1.00 . A A . 12 TYR HH 1 1 8 3215 1 1 12 TYR N N 0.425 6.654 0.453 1.00 . A A . 12 TYR N 1 1 8 3216 1 1 12 TYR O O -1.332 7.328 3.526 1.00 . A A . 12 TYR O 1 1 8 3217 1 1 12 TYR OH O 6.411 9.003 0.734 1.00 . A A . 12 TYR OH 1 1 8 3218 1 1 13 ASP C C -3.406 4.884 2.446 1.00 . A A . 13 ASP C 1 1 8 3219 1 1 13 ASP CA C -3.339 6.306 1.876 1.00 . A A . 13 ASP CA 1 1 8 3220 1 1 13 ASP CB C -4.233 6.468 0.631 1.00 . A A . 13 ASP CB 1 1 8 3221 1 1 13 ASP CG C -5.695 6.151 0.849 1.00 . A A . 13 ASP CG 1 1 8 3222 1 1 13 ASP H H -1.681 6.412 0.583 1.00 . A A . 13 ASP H 1 1 8 3223 1 1 13 ASP HA H -3.635 7.010 2.638 1.00 . A A . 13 ASP HA 1 1 8 3224 1 1 13 ASP HB2 H -4.169 7.489 0.288 1.00 . A A . 13 ASP HB2 1 1 8 3225 1 1 13 ASP HB3 H -3.855 5.821 -0.146 1.00 . A A . 13 ASP HB3 1 1 8 3226 1 1 13 ASP N N -1.957 6.581 1.510 1.00 . A A . 13 ASP N 1 1 8 3227 1 1 13 ASP O O -4.371 4.484 3.097 1.00 . A A . 13 ASP O 1 1 8 3228 1 1 13 ASP OD1 O -6.253 5.321 0.086 1.00 . A A . 13 ASP OD1 1 1 8 3229 1 1 13 ASP OD2 O -6.325 6.745 1.753 1.00 . A A . 13 ASP OD2 1 1 8 3230 1 1 14 CYS C C -1.439 2.847 4.053 1.00 . A A . 14 CYS C 1 1 8 3231 1 1 14 CYS CA C -2.172 2.810 2.730 1.00 . A A . 14 CYS CA 1 1 8 3232 1 1 14 CYS CB C -1.381 1.978 1.739 1.00 . A A . 14 CYS CB 1 1 8 3233 1 1 14 CYS H H -1.600 4.538 1.702 1.00 . A A . 14 CYS H 1 1 8 3234 1 1 14 CYS HA H -3.148 2.369 2.864 1.00 . A A . 14 CYS HA 1 1 8 3235 1 1 14 CYS HB2 H -0.399 2.408 1.612 1.00 . A A . 14 CYS HB2 1 1 8 3236 1 1 14 CYS HB3 H -1.287 0.974 2.126 1.00 . A A . 14 CYS HB3 1 1 8 3237 1 1 14 CYS N N -2.331 4.154 2.228 1.00 . A A . 14 CYS N 1 1 8 3238 1 1 14 CYS O O -0.486 3.634 4.220 1.00 . A A . 14 CYS O 1 1 8 3239 1 1 14 CYS SG S -2.152 1.869 0.115 1.00 . A A . 14 CYS SG 1 1 8 3240 1 1 15 CYS C C 0.150 1.502 6.296 1.00 . A A . 15 CYS C 1 1 8 3241 1 1 15 CYS CA C -1.310 1.945 6.318 1.00 . A A . 15 CYS CA 1 1 8 3242 1 1 15 CYS CB C -2.111 0.964 7.183 1.00 . A A . 15 CYS CB 1 1 8 3243 1 1 15 CYS H H -2.625 1.416 4.756 1.00 . A A . 15 CYS H 1 1 8 3244 1 1 15 CYS HA H -1.380 2.923 6.768 1.00 . A A . 15 CYS HA 1 1 8 3245 1 1 15 CYS HB2 H -2.023 -0.025 6.758 1.00 . A A . 15 CYS HB2 1 1 8 3246 1 1 15 CYS HB3 H -1.691 0.954 8.178 1.00 . A A . 15 CYS HB3 1 1 8 3247 1 1 15 CYS N N -1.878 2.017 4.978 1.00 . A A . 15 CYS N 1 1 8 3248 1 1 15 CYS O O 0.539 0.615 5.518 1.00 . A A . 15 CYS O 1 1 8 3249 1 1 15 CYS SG S -3.894 1.331 7.332 1.00 . A A . 15 CYS SG 1 1 8 3250 1 1 16 GLY C C 3.160 1.899 6.079 1.00 . A A . 16 GLY C 1 1 8 3251 1 1 16 GLY CA C 2.314 1.777 7.310 1.00 . A A . 16 GLY CA 1 1 8 3252 1 1 16 GLY H H 0.598 2.936 7.587 1.00 . A A . 16 GLY H 1 1 8 3253 1 1 16 GLY HA2 H 2.738 2.403 8.082 1.00 . A A . 16 GLY HA2 1 1 8 3254 1 1 16 GLY HA3 H 2.333 0.752 7.646 1.00 . A A . 16 GLY HA3 1 1 8 3255 1 1 16 GLY N N 0.945 2.150 7.113 1.00 . A A . 16 GLY N 1 1 8 3256 1 1 16 GLY O O 3.074 2.880 5.345 1.00 . A A . 16 GLY O 1 1 8 3257 1 1 17 SER C C 4.272 0.223 3.471 1.00 . A A . 17 SER C 1 1 8 3258 1 1 17 SER CA C 4.856 0.887 4.732 1.00 . A A . 17 SER CA 1 1 8 3259 1 1 17 SER CB C 6.142 0.207 5.196 1.00 . A A . 17 SER CB 1 1 8 3260 1 1 17 SER H H 3.894 0.085 6.386 1.00 . A A . 17 SER H 1 1 8 3261 1 1 17 SER HA H 5.088 1.915 4.500 1.00 . A A . 17 SER HA 1 1 8 3262 1 1 17 SER HB2 H 6.784 0.045 4.344 1.00 . A A . 17 SER HB2 1 1 8 3263 1 1 17 SER HB3 H 6.644 0.843 5.910 1.00 . A A . 17 SER HB3 1 1 8 3264 1 1 17 SER HG H 6.215 -1.024 6.713 1.00 . A A . 17 SER HG 1 1 8 3265 1 1 17 SER N N 3.930 0.888 5.822 1.00 . A A . 17 SER N 1 1 8 3266 1 1 17 SER O O 5.007 -0.145 2.556 1.00 . A A . 17 SER O 1 1 8 3267 1 1 17 SER OG O 5.862 -1.050 5.816 1.00 . A A . 17 SER OG 1 1 8 3268 1 1 18 LEU C C 2.342 0.539 1.101 1.00 . A A . 18 LEU C 1 1 8 3269 1 1 18 LEU CA C 2.311 -0.475 2.234 1.00 . A A . 18 LEU CA 1 1 8 3270 1 1 18 LEU CB C 0.864 -0.862 2.525 1.00 . A A . 18 LEU CB 1 1 8 3271 1 1 18 LEU CD1 C -0.849 -2.153 3.768 1.00 . A A . 18 LEU CD1 1 1 8 3272 1 1 18 LEU CD2 C 1.265 -3.272 3.087 1.00 . A A . 18 LEU CD2 1 1 8 3273 1 1 18 LEU CG C 0.635 -1.967 3.550 1.00 . A A . 18 LEU CG 1 1 8 3274 1 1 18 LEU H H 2.410 0.354 4.185 1.00 . A A . 18 LEU H 1 1 8 3275 1 1 18 LEU HA H 2.861 -1.354 1.931 1.00 . A A . 18 LEU HA 1 1 8 3276 1 1 18 LEU HB2 H 0.365 0.024 2.888 1.00 . A A . 18 LEU HB2 1 1 8 3277 1 1 18 LEU HB3 H 0.402 -1.158 1.597 1.00 . A A . 18 LEU HB3 1 1 8 3278 1 1 18 LEU HD11 H -1.013 -2.936 4.493 1.00 . A A . 18 LEU HD11 1 1 8 3279 1 1 18 LEU HD12 H -1.308 -2.429 2.830 1.00 . A A . 18 LEU HD12 1 1 8 3280 1 1 18 LEU HD13 H -1.282 -1.230 4.125 1.00 . A A . 18 LEU HD13 1 1 8 3281 1 1 18 LEU HD21 H 0.833 -3.567 2.142 1.00 . A A . 18 LEU HD21 1 1 8 3282 1 1 18 LEU HD22 H 1.076 -4.040 3.823 1.00 . A A . 18 LEU HD22 1 1 8 3283 1 1 18 LEU HD23 H 2.330 -3.140 2.973 1.00 . A A . 18 LEU HD23 1 1 8 3284 1 1 18 LEU HG H 1.083 -1.683 4.491 1.00 . A A . 18 LEU HG 1 1 8 3285 1 1 18 LEU N N 2.958 0.080 3.418 1.00 . A A . 18 LEU N 1 1 8 3286 1 1 18 LEU O O 2.400 1.754 1.347 1.00 . A A . 18 LEU O 1 1 8 3287 1 1 19 CYS C C 1.080 0.660 -2.097 1.00 . A A . 19 CYS C 1 1 8 3288 1 1 19 CYS CA C 2.320 0.906 -1.265 1.00 . A A . 19 CYS CA 1 1 8 3289 1 1 19 CYS CB C 3.587 0.641 -2.079 1.00 . A A . 19 CYS CB 1 1 8 3290 1 1 19 CYS H H 2.206 -0.912 -0.251 1.00 . A A . 19 CYS H 1 1 8 3291 1 1 19 CYS HA H 2.321 1.933 -0.930 1.00 . A A . 19 CYS HA 1 1 8 3292 1 1 19 CYS HB2 H 3.588 -0.388 -2.406 1.00 . A A . 19 CYS HB2 1 1 8 3293 1 1 19 CYS HB3 H 3.595 1.289 -2.943 1.00 . A A . 19 CYS HB3 1 1 8 3294 1 1 19 CYS N N 2.287 0.058 -0.105 1.00 . A A . 19 CYS N 1 1 8 3295 1 1 19 CYS O O 0.389 -0.360 -1.915 1.00 . A A . 19 CYS O 1 1 8 3296 1 1 19 CYS SG S 5.130 0.931 -1.148 1.00 . A A . 19 CYS SG 1 1 8 3297 1 1 20 CYS C C -0.115 0.676 -5.041 1.00 . A A . 20 CYS C 1 1 8 3298 1 1 20 CYS CA C -0.397 1.487 -3.783 1.00 . A A . 20 CYS CA 1 1 8 3299 1 1 20 CYS CB C -0.881 2.901 -4.136 1.00 . A A . 20 CYS CB 1 1 8 3300 1 1 20 CYS H H 1.409 2.323 -3.137 1.00 . A A . 20 CYS H 1 1 8 3301 1 1 20 CYS HA H -1.162 0.990 -3.206 1.00 . A A . 20 CYS HA 1 1 8 3302 1 1 20 CYS HB2 H -0.945 3.487 -3.231 1.00 . A A . 20 CYS HB2 1 1 8 3303 1 1 20 CYS HB3 H -0.158 3.357 -4.797 1.00 . A A . 20 CYS HB3 1 1 8 3304 1 1 20 CYS N N 0.788 1.567 -2.983 1.00 . A A . 20 CYS N 1 1 8 3305 1 1 20 CYS O O 0.776 1.015 -5.836 1.00 . A A . 20 CYS O 1 1 8 3306 1 1 20 CYS SG S -2.512 2.983 -4.949 1.00 . A A . 20 CYS SG 1 1 8 3307 1 1 21 VAL C C -2.151 -1.536 -6.848 1.00 . A A . 21 VAL C 1 1 8 3308 1 1 21 VAL CA C -0.709 -1.312 -6.338 1.00 . A A . 21 VAL CA 1 1 8 3309 1 1 21 VAL CB C -0.059 -2.687 -5.914 1.00 . A A . 21 VAL CB 1 1 8 3310 1 1 21 VAL CG1 C 0.280 -3.551 -7.124 1.00 . A A . 21 VAL CG1 1 1 8 3311 1 1 21 VAL CG2 C 1.189 -2.477 -5.058 1.00 . A A . 21 VAL CG2 1 1 8 3312 1 1 21 VAL H H -1.454 -0.687 -4.474 1.00 . A A . 21 VAL H 1 1 8 3313 1 1 21 VAL HA H -0.111 -0.826 -7.097 1.00 . A A . 21 VAL HA 1 1 8 3314 1 1 21 VAL HB H -0.788 -3.225 -5.324 1.00 . A A . 21 VAL HB 1 1 8 3315 1 1 21 VAL HG11 H 0.707 -4.487 -6.793 1.00 . A A . 21 VAL HG11 1 1 8 3316 1 1 21 VAL HG12 H 0.995 -3.028 -7.742 1.00 . A A . 21 VAL HG12 1 1 8 3317 1 1 21 VAL HG13 H -0.616 -3.743 -7.694 1.00 . A A . 21 VAL HG13 1 1 8 3318 1 1 21 VAL HG21 H 1.915 -1.907 -5.619 1.00 . A A . 21 VAL HG21 1 1 8 3319 1 1 21 VAL HG22 H 1.613 -3.435 -4.795 1.00 . A A . 21 VAL HG22 1 1 8 3320 1 1 21 VAL HG23 H 0.924 -1.938 -4.161 1.00 . A A . 21 VAL HG23 1 1 8 3321 1 1 21 VAL N N -0.822 -0.426 -5.183 1.00 . A A . 21 VAL N 1 1 8 3322 1 1 21 VAL O O -2.530 -2.598 -7.330 1.00 . A A . 21 VAL O 1 1 8 3323 1 1 22 GLY C C -5.091 -0.829 -5.727 1.00 . A A . 22 GLY C 1 1 8 3324 1 1 22 GLY CA C -4.370 -0.568 -7.017 1.00 . A A . 22 GLY CA 1 1 8 3325 1 1 22 GLY H H -2.557 0.350 -6.421 1.00 . A A . 22 GLY H 1 1 8 3326 1 1 22 GLY HA2 H -4.685 0.376 -7.435 1.00 . A A . 22 GLY HA2 1 1 8 3327 1 1 22 GLY HA3 H -4.567 -1.372 -7.710 1.00 . A A . 22 GLY HA3 1 1 8 3328 1 1 22 GLY N N -2.947 -0.498 -6.722 1.00 . A A . 22 GLY N 1 1 8 3329 1 1 22 GLY O O -6.091 -0.185 -5.375 1.00 . A A . 22 GLY O 1 1 8 3330 1 1 23 ILE C C -3.605 -1.924 -2.889 1.00 . A A . 23 ILE C 1 1 8 3331 1 1 23 ILE CA C -4.878 -2.077 -3.694 1.00 . A A . 23 ILE CA 1 1 8 3332 1 1 23 ILE CB C -5.428 -3.529 -3.573 1.00 . A A . 23 ILE CB 1 1 8 3333 1 1 23 ILE CD1 C -4.928 -5.982 -4.158 1.00 . A A . 23 ILE CD1 1 1 8 3334 1 1 23 ILE CG1 C -4.457 -4.544 -4.215 1.00 . A A . 23 ILE CG1 1 1 8 3335 1 1 23 ILE CG2 C -6.822 -3.630 -4.186 1.00 . A A . 23 ILE CG2 1 1 8 3336 1 1 23 ILE H H -3.793 -2.248 -5.429 1.00 . A A . 23 ILE H 1 1 8 3337 1 1 23 ILE HA H -5.611 -1.370 -3.339 1.00 . A A . 23 ILE HA 1 1 8 3338 1 1 23 ILE HB H -5.521 -3.753 -2.520 1.00 . A A . 23 ILE HB 1 1 8 3339 1 1 23 ILE HD11 H -5.884 -6.063 -4.657 1.00 . A A . 23 ILE HD11 1 1 8 3340 1 1 23 ILE HD12 H -5.029 -6.295 -3.132 1.00 . A A . 23 ILE HD12 1 1 8 3341 1 1 23 ILE HD13 H -4.212 -6.615 -4.659 1.00 . A A . 23 ILE HD13 1 1 8 3342 1 1 23 ILE HG12 H -4.318 -4.288 -5.255 1.00 . A A . 23 ILE HG12 1 1 8 3343 1 1 23 ILE HG13 H -3.504 -4.483 -3.710 1.00 . A A . 23 ILE HG13 1 1 8 3344 1 1 23 ILE HG21 H -7.496 -2.962 -3.670 1.00 . A A . 23 ILE HG21 1 1 8 3345 1 1 23 ILE HG22 H -7.182 -4.644 -4.098 1.00 . A A . 23 ILE HG22 1 1 8 3346 1 1 23 ILE HG23 H -6.769 -3.355 -5.228 1.00 . A A . 23 ILE HG23 1 1 8 3347 1 1 23 ILE N N -4.531 -1.749 -5.020 1.00 . A A . 23 ILE N 1 1 8 3348 1 1 23 ILE O O -2.505 -1.962 -3.466 1.00 . A A . 23 ILE O 1 1 8 3349 1 1 24 CYS C C -1.900 -2.889 -0.629 1.00 . A A . 24 CYS C 1 1 8 3350 1 1 24 CYS CA C -2.576 -1.550 -0.776 1.00 . A A . 24 CYS CA 1 1 8 3351 1 1 24 CYS CB C -2.982 -0.989 0.573 1.00 . A A . 24 CYS CB 1 1 8 3352 1 1 24 CYS H H -4.631 -1.578 -1.247 1.00 . A A . 24 CYS H 1 1 8 3353 1 1 24 CYS HA H -1.891 -0.865 -1.253 1.00 . A A . 24 CYS HA 1 1 8 3354 1 1 24 CYS HB2 H -3.699 -1.653 1.032 1.00 . A A . 24 CYS HB2 1 1 8 3355 1 1 24 CYS HB3 H -2.109 -0.912 1.203 1.00 . A A . 24 CYS HB3 1 1 8 3356 1 1 24 CYS N N -3.728 -1.683 -1.628 1.00 . A A . 24 CYS N 1 1 8 3357 1 1 24 CYS O O -2.530 -3.872 -0.219 1.00 . A A . 24 CYS O 1 1 8 3358 1 1 24 CYS SG S -3.736 0.657 0.462 1.00 . A A . 24 CYS SG 1 1 8 3359 1 1 25 ALA C C 1.534 -3.908 -0.637 1.00 . A A . 25 ALA C 1 1 8 3360 1 1 25 ALA CA C 0.085 -4.175 -0.969 1.00 . A A . 25 ALA CA 1 1 8 3361 1 1 25 ALA CB C -0.040 -4.898 -2.302 1.00 . A A . 25 ALA CB 1 1 8 3362 1 1 25 ALA H H -0.193 -2.131 -1.305 1.00 . A A . 25 ALA H 1 1 8 3363 1 1 25 ALA HA H -0.342 -4.804 -0.202 1.00 . A A . 25 ALA HA 1 1 8 3364 1 1 25 ALA HB1 H 0.474 -5.845 -2.248 1.00 . A A . 25 ALA HB1 1 1 8 3365 1 1 25 ALA HB2 H 0.398 -4.291 -3.081 1.00 . A A . 25 ALA HB2 1 1 8 3366 1 1 25 ALA HB3 H -1.085 -5.065 -2.519 1.00 . A A . 25 ALA HB3 1 1 8 3367 1 1 25 ALA N N -0.652 -2.947 -1.001 1.00 . A A . 25 ALA N 1 1 8 3368 1 1 25 ALA O O 1.978 -2.750 -0.625 1.00 . A A . 25 ALA O 1 1 8 3369 1 1 26 LYS C C 4.487 -5.062 -1.279 1.00 . A A . 26 LYS C 1 1 8 3370 1 1 26 LYS CA C 3.648 -4.882 -0.015 1.00 . A A . 26 LYS CA 1 1 8 3371 1 1 26 LYS CB C 3.990 -5.950 1.048 1.00 . A A . 26 LYS CB 1 1 8 3372 1 1 26 LYS CD C 6.049 -4.732 1.971 1.00 . A A . 26 LYS CD 1 1 8 3373 1 1 26 LYS CE C 5.316 -4.208 3.202 1.00 . A A . 26 LYS CE 1 1 8 3374 1 1 26 LYS CG C 5.471 -6.051 1.446 1.00 . A A . 26 LYS CG 1 1 8 3375 1 1 26 LYS H H 1.816 -5.840 -0.344 1.00 . A A . 26 LYS H 1 1 8 3376 1 1 26 LYS HA H 3.836 -3.904 0.401 1.00 . A A . 26 LYS HA 1 1 8 3377 1 1 26 LYS HB2 H 3.420 -5.739 1.940 1.00 . A A . 26 LYS HB2 1 1 8 3378 1 1 26 LYS HB3 H 3.679 -6.911 0.668 1.00 . A A . 26 LYS HB3 1 1 8 3379 1 1 26 LYS HD2 H 7.086 -4.893 2.224 1.00 . A A . 26 LYS HD2 1 1 8 3380 1 1 26 LYS HD3 H 5.994 -4.003 1.179 1.00 . A A . 26 LYS HD3 1 1 8 3381 1 1 26 LYS HE2 H 4.290 -4.001 2.939 1.00 . A A . 26 LYS HE2 1 1 8 3382 1 1 26 LYS HE3 H 5.347 -4.966 3.970 1.00 . A A . 26 LYS HE3 1 1 8 3383 1 1 26 LYS HG2 H 5.572 -6.799 2.219 1.00 . A A . 26 LYS HG2 1 1 8 3384 1 1 26 LYS HG3 H 6.034 -6.362 0.579 1.00 . A A . 26 LYS HG3 1 1 8 3385 1 1 26 LYS HZ1 H 5.404 -2.593 4.540 1.00 . A A . 26 LYS HZ1 1 1 8 3386 1 1 26 LYS HZ2 H 6.001 -2.227 3.000 1.00 . A A . 26 LYS HZ2 1 1 8 3387 1 1 26 LYS HZ3 H 6.901 -3.172 4.051 1.00 . A A . 26 LYS HZ3 1 1 8 3388 1 1 26 LYS N N 2.247 -4.958 -0.338 1.00 . A A . 26 LYS N 1 1 8 3389 1 1 26 LYS NZ N 5.934 -2.969 3.725 1.00 . A A . 26 LYS NZ 1 1 8 3390 1 1 26 LYS O O 4.292 -6.018 -2.038 1.00 . A A . 26 LYS O 1 1 8 3391 1 1 27 THR C C 7.625 -4.676 -2.180 1.00 . A A . 27 THR C 1 1 8 3392 1 1 27 THR CA C 6.255 -4.171 -2.635 1.00 . A A . 27 THR CA 1 1 8 3393 1 1 27 THR CB C 6.380 -2.758 -3.233 1.00 . A A . 27 THR CB 1 1 8 3394 1 1 27 THR CG2 C 5.113 -2.373 -3.985 1.00 . A A . 27 THR CG2 1 1 8 3395 1 1 27 THR H H 5.443 -3.363 -0.916 1.00 . A A . 27 THR H 1 1 8 3396 1 1 27 THR HA H 5.849 -4.835 -3.383 1.00 . A A . 27 THR HA 1 1 8 3397 1 1 27 THR HB H 7.220 -2.739 -3.911 1.00 . A A . 27 THR HB 1 1 8 3398 1 1 27 THR HG1 H 7.469 -1.382 -2.334 1.00 . A A . 27 THR HG1 1 1 8 3399 1 1 27 THR HG21 H 4.949 -3.070 -4.794 1.00 . A A . 27 THR HG21 1 1 8 3400 1 1 27 THR HG22 H 5.216 -1.375 -4.383 1.00 . A A . 27 THR HG22 1 1 8 3401 1 1 27 THR HG23 H 4.272 -2.407 -3.308 1.00 . A A . 27 THR HG23 1 1 8 3402 1 1 27 THR N N 5.363 -4.135 -1.516 1.00 . A A . 27 THR N 1 1 8 3403 1 1 27 THR O O 7.914 -4.694 -0.963 1.00 . A A . 27 THR O 1 1 8 3404 1 1 27 THR OG1 O 6.617 -1.812 -2.170 1.00 . A A . 27 THR OG1 1 1 8 3405 1 1 28 ILE C C 10.649 -4.422 -2.268 1.00 . A A . 28 ILE C 1 1 8 3406 1 1 28 ILE CA C 9.800 -5.576 -2.797 1.00 . A A . 28 ILE CA 1 1 8 3407 1 1 28 ILE CB C 10.503 -6.218 -4.036 1.00 . A A . 28 ILE CB 1 1 8 3408 1 1 28 ILE CD1 C 10.232 -8.038 -5.825 1.00 . A A . 28 ILE CD1 1 1 8 3409 1 1 28 ILE CG1 C 9.663 -7.382 -4.580 1.00 . A A . 28 ILE CG1 1 1 8 3410 1 1 28 ILE CG2 C 11.915 -6.702 -3.672 1.00 . A A . 28 ILE CG2 1 1 8 3411 1 1 28 ILE H H 8.180 -5.049 -4.060 1.00 . A A . 28 ILE H 1 1 8 3412 1 1 28 ILE HA H 9.701 -6.320 -2.019 1.00 . A A . 28 ILE HA 1 1 8 3413 1 1 28 ILE HB H 10.598 -5.464 -4.803 1.00 . A A . 28 ILE HB 1 1 8 3414 1 1 28 ILE HD11 H 10.306 -7.305 -6.615 1.00 . A A . 28 ILE HD11 1 1 8 3415 1 1 28 ILE HD12 H 9.582 -8.842 -6.137 1.00 . A A . 28 ILE HD12 1 1 8 3416 1 1 28 ILE HD13 H 11.214 -8.433 -5.606 1.00 . A A . 28 ILE HD13 1 1 8 3417 1 1 28 ILE HG12 H 9.588 -8.144 -3.818 1.00 . A A . 28 ILE HG12 1 1 8 3418 1 1 28 ILE HG13 H 8.673 -7.020 -4.815 1.00 . A A . 28 ILE HG13 1 1 8 3419 1 1 28 ILE HG21 H 12.382 -7.136 -4.544 1.00 . A A . 28 ILE HG21 1 1 8 3420 1 1 28 ILE HG22 H 11.849 -7.446 -2.892 1.00 . A A . 28 ILE HG22 1 1 8 3421 1 1 28 ILE HG23 H 12.503 -5.866 -3.324 1.00 . A A . 28 ILE HG23 1 1 8 3422 1 1 28 ILE N N 8.462 -5.086 -3.119 1.00 . A A . 28 ILE N 1 1 8 3423 1 1 28 ILE O O 11.381 -4.565 -1.281 1.00 . A A . 28 ILE O 1 1 8 3424 1 1 29 ALA C C 10.259 -1.079 -1.965 1.00 . A A . 29 ALA C 1 1 8 3425 1 1 29 ALA CA C 11.236 -2.106 -2.535 1.00 . A A . 29 ALA CA 1 1 8 3426 1 1 29 ALA CB C 11.961 -1.539 -3.745 1.00 . A A . 29 ALA CB 1 1 8 3427 1 1 29 ALA H H 9.907 -3.251 -3.673 1.00 . A A . 29 ALA H 1 1 8 3428 1 1 29 ALA HA H 11.967 -2.379 -1.790 1.00 . A A . 29 ALA HA 1 1 8 3429 1 1 29 ALA HB1 H 12.536 -0.674 -3.449 1.00 . A A . 29 ALA HB1 1 1 8 3430 1 1 29 ALA HB2 H 11.240 -1.251 -4.495 1.00 . A A . 29 ALA HB2 1 1 8 3431 1 1 29 ALA HB3 H 12.624 -2.289 -4.153 1.00 . A A . 29 ALA HB3 1 1 8 3432 1 1 29 ALA N N 10.523 -3.293 -2.909 1.00 . A A . 29 ALA N 1 1 8 3433 1 1 29 ALA O O 9.179 -0.867 -2.544 1.00 . A A . 29 ALA O 1 1 8 3434 1 1 30 PRO C C 9.500 1.775 -1.082 1.00 . A A . 30 PRO C 1 1 8 3435 1 1 30 PRO CA C 9.750 0.567 -0.175 1.00 . A A . 30 PRO CA 1 1 8 3436 1 1 30 PRO CB C 10.573 1.004 1.042 1.00 . A A . 30 PRO CB 1 1 8 3437 1 1 30 PRO CD C 11.792 -0.745 -0.006 1.00 . A A . 30 PRO CD 1 1 8 3438 1 1 30 PRO CG C 11.463 -0.145 1.326 1.00 . A A . 30 PRO CG 1 1 8 3439 1 1 30 PRO HA H 8.809 0.153 0.153 1.00 . A A . 30 PRO HA 1 1 8 3440 1 1 30 PRO HB2 H 11.137 1.891 0.791 1.00 . A A . 30 PRO HB2 1 1 8 3441 1 1 30 PRO HB3 H 9.916 1.214 1.873 1.00 . A A . 30 PRO HB3 1 1 8 3442 1 1 30 PRO HD2 H 12.667 -0.275 -0.429 1.00 . A A . 30 PRO HD2 1 1 8 3443 1 1 30 PRO HD3 H 11.941 -1.808 0.107 1.00 . A A . 30 PRO HD3 1 1 8 3444 1 1 30 PRO HG2 H 12.361 0.199 1.817 1.00 . A A . 30 PRO HG2 1 1 8 3445 1 1 30 PRO HG3 H 10.948 -0.865 1.944 1.00 . A A . 30 PRO HG3 1 1 8 3446 1 1 30 PRO N N 10.590 -0.463 -0.812 1.00 . A A . 30 PRO N 1 1 8 3447 1 1 30 PRO O O 10.348 2.145 -1.899 1.00 . A A . 30 PRO O 1 1 8 3448 1 1 31 CYS C C 7.936 4.763 -0.804 1.00 . A A . 31 CYS C 1 1 8 3449 1 1 31 CYS CA C 7.974 3.534 -1.707 1.00 . A A . 31 CYS CA 1 1 8 3450 1 1 31 CYS CB C 6.595 3.308 -2.333 1.00 . A A . 31 CYS CB 1 1 8 3451 1 1 31 CYS H H 7.696 2.012 -0.297 1.00 . A A . 31 CYS H 1 1 8 3452 1 1 31 CYS HA H 8.698 3.681 -2.493 1.00 . A A . 31 CYS HA 1 1 8 3453 1 1 31 CYS HB2 H 6.301 4.193 -2.877 1.00 . A A . 31 CYS HB2 1 1 8 3454 1 1 31 CYS HB3 H 6.646 2.470 -3.013 1.00 . A A . 31 CYS HB3 1 1 8 3455 1 1 31 CYS N N 8.349 2.369 -0.937 1.00 . A A . 31 CYS N 1 1 8 3456 1 1 31 CYS O O 7.600 5.874 -1.246 1.00 . A A . 31 CYS O 1 1 8 3457 1 1 31 CYS SG S 5.290 2.948 -1.106 1.00 . A A . 31 CYS SG 1 1 8 3458 1 1 32 LYS C C 9.587 5.717 2.121 1.00 . A A . 32 LYS C 1 1 8 3459 1 1 32 LYS CA C 8.235 5.631 1.436 1.00 . A A . 32 LYS CA 1 1 8 3460 1 1 32 LYS CB C 7.129 5.374 2.475 1.00 . A A . 32 LYS CB 1 1 8 3461 1 1 32 LYS CD C 4.704 4.927 2.947 1.00 . A A . 32 LYS CD 1 1 8 3462 1 1 32 LYS CE C 3.355 4.670 2.316 1.00 . A A . 32 LYS CE 1 1 8 3463 1 1 32 LYS CG C 5.744 5.204 1.880 1.00 . A A . 32 LYS CG 1 1 8 3464 1 1 32 LYS H H 8.558 3.678 0.755 1.00 . A A . 32 LYS H 1 1 8 3465 1 1 32 LYS HA H 8.031 6.558 0.922 1.00 . A A . 32 LYS HA 1 1 8 3466 1 1 32 LYS HB2 H 7.372 4.475 3.022 1.00 . A A . 32 LYS HB2 1 1 8 3467 1 1 32 LYS HB3 H 7.104 6.204 3.165 1.00 . A A . 32 LYS HB3 1 1 8 3468 1 1 32 LYS HD2 H 5.000 4.055 3.511 1.00 . A A . 32 LYS HD2 1 1 8 3469 1 1 32 LYS HD3 H 4.630 5.781 3.603 1.00 . A A . 32 LYS HD3 1 1 8 3470 1 1 32 LYS HE2 H 3.073 5.534 1.733 1.00 . A A . 32 LYS HE2 1 1 8 3471 1 1 32 LYS HE3 H 3.436 3.814 1.662 1.00 . A A . 32 LYS HE3 1 1 8 3472 1 1 32 LYS HG2 H 5.474 6.111 1.358 1.00 . A A . 32 LYS HG2 1 1 8 3473 1 1 32 LYS HG3 H 5.763 4.381 1.181 1.00 . A A . 32 LYS HG3 1 1 8 3474 1 1 32 LYS HZ1 H 2.112 5.242 3.910 1.00 . A A . 32 LYS HZ1 1 1 8 3475 1 1 32 LYS HZ2 H 2.595 3.657 3.975 1.00 . A A . 32 LYS HZ2 1 1 8 3476 1 1 32 LYS HZ3 H 1.411 4.118 2.856 1.00 . A A . 32 LYS HZ3 1 1 8 3477 1 1 32 LYS N N 8.265 4.567 0.462 1.00 . A A . 32 LYS N 1 1 8 3478 1 1 32 LYS NZ N 2.297 4.411 3.317 1.00 . A A . 32 LYS NZ 1 1 8 3479 1 1 32 LYS O O 10.499 6.375 1.569 1.00 . A A . 32 LYS O 1 1 8 3480 1 1 32 LYS OXT O 9.759 5.113 3.209 1.00 . A A . 32 LYS OXT 1 1 9 3481 1 1 1 CYS C C -6.141 3.299 5.306 1.00 . A A . 1 CYS C 1 1 9 3482 1 1 1 CYS CA C -5.530 4.635 5.697 1.00 . A A . 1 CYS CA 1 1 9 3483 1 1 1 CYS CB C -4.078 4.462 6.161 1.00 . A A . 1 CYS CB 1 1 9 3484 1 1 1 CYS H1 H -5.925 6.166 7.027 1.00 . A A . 1 CYS H1 1 1 9 3485 1 1 1 CYS H2 H -6.297 4.603 7.575 1.00 . A A . 1 CYS H2 1 1 9 3486 1 1 1 CYS H3 H -7.296 5.349 6.448 1.00 . A A . 1 CYS H3 1 1 9 3487 1 1 1 CYS HA H -5.553 5.291 4.839 1.00 . A A . 1 CYS HA 1 1 9 3488 1 1 1 CYS HB2 H -3.540 3.892 5.418 1.00 . A A . 1 CYS HB2 1 1 9 3489 1 1 1 CYS HB3 H -3.613 5.432 6.261 1.00 . A A . 1 CYS HB3 1 1 9 3490 1 1 1 CYS N N -6.309 5.240 6.753 1.00 . A A . 1 CYS N 1 1 9 3491 1 1 1 CYS O O -6.887 2.698 6.086 1.00 . A A . 1 CYS O 1 1 9 3492 1 1 1 CYS SG S -3.892 3.588 7.756 1.00 . A A . 1 CYS SG 1 1 9 3493 1 1 2 ALA C C -5.440 0.486 4.036 1.00 . A A . 2 ALA C 1 1 9 3494 1 1 2 ALA CA C -6.361 1.610 3.607 1.00 . A A . 2 ALA CA 1 1 9 3495 1 1 2 ALA CB C -6.476 1.666 2.101 1.00 . A A . 2 ALA CB 1 1 9 3496 1 1 2 ALA H H -5.316 3.413 3.506 1.00 . A A . 2 ALA H 1 1 9 3497 1 1 2 ALA HA H -7.343 1.438 4.022 1.00 . A A . 2 ALA HA 1 1 9 3498 1 1 2 ALA HB1 H -7.101 2.501 1.823 1.00 . A A . 2 ALA HB1 1 1 9 3499 1 1 2 ALA HB2 H -6.918 0.750 1.737 1.00 . A A . 2 ALA HB2 1 1 9 3500 1 1 2 ALA HB3 H -5.496 1.791 1.667 1.00 . A A . 2 ALA HB3 1 1 9 3501 1 1 2 ALA N N -5.874 2.862 4.105 1.00 . A A . 2 ALA N 1 1 9 3502 1 1 2 ALA O O -4.209 0.652 4.072 1.00 . A A . 2 ALA O 1 1 9 3503 1 1 3 VAL C C -4.939 -2.692 3.668 1.00 . A A . 3 VAL C 1 1 9 3504 1 1 3 VAL CA C -5.254 -1.770 4.832 1.00 . A A . 3 VAL CA 1 1 9 3505 1 1 3 VAL CB C -5.980 -2.560 5.952 1.00 . A A . 3 VAL CB 1 1 9 3506 1 1 3 VAL CG1 C -6.217 -1.679 7.160 1.00 . A A . 3 VAL CG1 1 1 9 3507 1 1 3 VAL CG2 C -7.286 -3.149 5.452 1.00 . A A . 3 VAL CG2 1 1 9 3508 1 1 3 VAL H H -6.998 -0.702 4.289 1.00 . A A . 3 VAL H 1 1 9 3509 1 1 3 VAL HA H -4.320 -1.393 5.224 1.00 . A A . 3 VAL HA 1 1 9 3510 1 1 3 VAL HB H -5.333 -3.370 6.255 1.00 . A A . 3 VAL HB 1 1 9 3511 1 1 3 VAL HG11 H -6.734 -2.251 7.917 1.00 . A A . 3 VAL HG11 1 1 9 3512 1 1 3 VAL HG12 H -6.818 -0.830 6.872 1.00 . A A . 3 VAL HG12 1 1 9 3513 1 1 3 VAL HG13 H -5.271 -1.336 7.551 1.00 . A A . 3 VAL HG13 1 1 9 3514 1 1 3 VAL HG21 H -7.797 -3.655 6.256 1.00 . A A . 3 VAL HG21 1 1 9 3515 1 1 3 VAL HG22 H -7.070 -3.849 4.656 1.00 . A A . 3 VAL HG22 1 1 9 3516 1 1 3 VAL HG23 H -7.905 -2.359 5.054 1.00 . A A . 3 VAL HG23 1 1 9 3517 1 1 3 VAL N N -6.017 -0.630 4.378 1.00 . A A . 3 VAL N 1 1 9 3518 1 1 3 VAL O O -5.253 -2.376 2.511 1.00 . A A . 3 VAL O 1 1 9 3519 1 1 4 THR C C -5.107 -5.245 2.151 1.00 . A A . 4 THR C 1 1 9 3520 1 1 4 THR CA C -3.912 -4.771 2.987 1.00 . A A . 4 THR CA 1 1 9 3521 1 1 4 THR CB C -3.259 -5.966 3.685 1.00 . A A . 4 THR CB 1 1 9 3522 1 1 4 THR CG2 C -2.421 -6.758 2.691 1.00 . A A . 4 THR CG2 1 1 9 3523 1 1 4 THR H H -4.117 -4.039 4.901 1.00 . A A . 4 THR H 1 1 9 3524 1 1 4 THR HA H -3.178 -4.311 2.342 1.00 . A A . 4 THR HA 1 1 9 3525 1 1 4 THR HB H -4.026 -6.603 4.099 1.00 . A A . 4 THR HB 1 1 9 3526 1 1 4 THR HG1 H -1.755 -6.178 4.905 1.00 . A A . 4 THR HG1 1 1 9 3527 1 1 4 THR HG21 H -1.655 -6.117 2.281 1.00 . A A . 4 THR HG21 1 1 9 3528 1 1 4 THR HG22 H -3.055 -7.115 1.894 1.00 . A A . 4 THR HG22 1 1 9 3529 1 1 4 THR HG23 H -1.959 -7.598 3.189 1.00 . A A . 4 THR HG23 1 1 9 3530 1 1 4 THR N N -4.323 -3.814 3.970 1.00 . A A . 4 THR N 1 1 9 3531 1 1 4 THR O O -6.181 -5.535 2.693 1.00 . A A . 4 THR O 1 1 9 3532 1 1 4 THR OG1 O -2.395 -5.474 4.734 1.00 . A A . 4 THR OG1 1 1 9 3533 1 1 5 HIS C C -7.036 -4.676 -0.403 1.00 . A A . 5 HIS C 1 1 9 3534 1 1 5 HIS CA C -5.908 -5.669 -0.154 1.00 . A A . 5 HIS CA 1 1 9 3535 1 1 5 HIS CB C -6.425 -7.108 0.079 1.00 . A A . 5 HIS CB 1 1 9 3536 1 1 5 HIS CD2 C -4.664 -8.455 -1.254 1.00 . A A . 5 HIS CD2 1 1 9 3537 1 1 5 HIS CE1 C -3.995 -9.811 0.289 1.00 . A A . 5 HIS CE1 1 1 9 3538 1 1 5 HIS CG C -5.370 -8.156 -0.138 1.00 . A A . 5 HIS CG 1 1 9 3539 1 1 5 HIS H H -4.061 -4.872 0.516 1.00 . A A . 5 HIS H 1 1 9 3540 1 1 5 HIS HA H -5.345 -5.674 -1.077 1.00 . A A . 5 HIS HA 1 1 9 3541 1 1 5 HIS HB2 H -6.779 -7.197 1.095 1.00 . A A . 5 HIS HB2 1 1 9 3542 1 1 5 HIS HB3 H -7.239 -7.305 -0.602 1.00 . A A . 5 HIS HB3 1 1 9 3543 1 1 5 HIS HD1 H -5.271 -9.117 1.746 1.00 . A A . 5 HIS HD1 1 1 9 3544 1 1 5 HIS HD2 H -4.762 -7.969 -2.213 1.00 . A A . 5 HIS HD2 1 1 9 3545 1 1 5 HIS HE1 H -3.470 -10.592 0.819 1.00 . A A . 5 HIS HE1 1 1 9 3546 1 1 5 HIS N N -4.921 -5.225 0.839 1.00 . A A . 5 HIS N 1 1 9 3547 1 1 5 HIS ND1 N -4.932 -9.033 0.828 1.00 . A A . 5 HIS ND1 1 1 9 3548 1 1 5 HIS NE2 N -3.792 -9.500 -0.979 1.00 . A A . 5 HIS NE2 1 1 9 3549 1 1 5 HIS O O -7.850 -4.878 -1.304 1.00 . A A . 5 HIS O 1 1 9 3550 1 1 6 GLU C C -7.545 -1.711 -1.073 1.00 . A A . 6 GLU C 1 1 9 3551 1 1 6 GLU CA C -8.046 -2.546 0.085 1.00 . A A . 6 GLU CA 1 1 9 3552 1 1 6 GLU CB C -8.322 -1.646 1.294 1.00 . A A . 6 GLU CB 1 1 9 3553 1 1 6 GLU CD C -9.575 -1.288 3.415 1.00 . A A . 6 GLU CD 1 1 9 3554 1 1 6 GLU CG C -9.054 -2.304 2.429 1.00 . A A . 6 GLU CG 1 1 9 3555 1 1 6 GLU H H -6.456 -3.489 1.111 1.00 . A A . 6 GLU H 1 1 9 3556 1 1 6 GLU HA H -8.962 -3.031 -0.223 1.00 . A A . 6 GLU HA 1 1 9 3557 1 1 6 GLU HB2 H -7.376 -1.338 1.714 1.00 . A A . 6 GLU HB2 1 1 9 3558 1 1 6 GLU HB3 H -8.884 -0.778 0.981 1.00 . A A . 6 GLU HB3 1 1 9 3559 1 1 6 GLU HG2 H -9.887 -2.863 2.028 1.00 . A A . 6 GLU HG2 1 1 9 3560 1 1 6 GLU HG3 H -8.380 -2.976 2.942 1.00 . A A . 6 GLU HG3 1 1 9 3561 1 1 6 GLU N N -7.082 -3.593 0.363 1.00 . A A . 6 GLU N 1 1 9 3562 1 1 6 GLU O O -6.346 -1.745 -1.385 1.00 . A A . 6 GLU O 1 1 9 3563 1 1 6 GLU OE1 O -8.773 -0.576 4.070 1.00 . A A . 6 GLU OE1 1 1 9 3564 1 1 6 GLU OE2 O -10.804 -1.175 3.561 1.00 . A A . 6 GLU OE2 1 1 9 3565 1 1 7 LYS C C -7.264 1.001 -2.332 1.00 . A A . 7 LYS C 1 1 9 3566 1 1 7 LYS CA C -8.094 -0.169 -2.830 1.00 . A A . 7 LYS CA 1 1 9 3567 1 1 7 LYS CB C -9.379 0.312 -3.511 1.00 . A A . 7 LYS CB 1 1 9 3568 1 1 7 LYS CD C -10.486 1.332 -5.536 1.00 . A A . 7 LYS CD 1 1 9 3569 1 1 7 LYS CE C -11.174 2.516 -4.857 1.00 . A A . 7 LYS CE 1 1 9 3570 1 1 7 LYS CG C -9.164 0.948 -4.863 1.00 . A A . 7 LYS CG 1 1 9 3571 1 1 7 LYS H H -9.378 -0.983 -1.431 1.00 . A A . 7 LYS H 1 1 9 3572 1 1 7 LYS HA H -7.512 -0.749 -3.530 1.00 . A A . 7 LYS HA 1 1 9 3573 1 1 7 LYS HB2 H -10.042 -0.531 -3.636 1.00 . A A . 7 LYS HB2 1 1 9 3574 1 1 7 LYS HB3 H -9.854 1.035 -2.865 1.00 . A A . 7 LYS HB3 1 1 9 3575 1 1 7 LYS HD2 H -10.299 1.586 -6.568 1.00 . A A . 7 LYS HD2 1 1 9 3576 1 1 7 LYS HD3 H -11.147 0.479 -5.500 1.00 . A A . 7 LYS HD3 1 1 9 3577 1 1 7 LYS HE2 H -12.130 2.680 -5.331 1.00 . A A . 7 LYS HE2 1 1 9 3578 1 1 7 LYS HE3 H -11.330 2.282 -3.814 1.00 . A A . 7 LYS HE3 1 1 9 3579 1 1 7 LYS HG2 H -8.555 1.828 -4.722 1.00 . A A . 7 LYS HG2 1 1 9 3580 1 1 7 LYS HG3 H -8.639 0.231 -5.475 1.00 . A A . 7 LYS HG3 1 1 9 3581 1 1 7 LYS HZ1 H -10.884 4.559 -4.543 1.00 . A A . 7 LYS HZ1 1 1 9 3582 1 1 7 LYS HZ2 H -10.158 3.994 -5.950 1.00 . A A . 7 LYS HZ2 1 1 9 3583 1 1 7 LYS HZ3 H -9.469 3.664 -4.461 1.00 . A A . 7 LYS HZ3 1 1 9 3584 1 1 7 LYS N N -8.438 -0.991 -1.712 1.00 . A A . 7 LYS N 1 1 9 3585 1 1 7 LYS NZ N -10.374 3.756 -4.962 1.00 . A A . 7 LYS NZ 1 1 9 3586 1 1 7 LYS O O -7.514 1.517 -1.239 1.00 . A A . 7 LYS O 1 1 9 3587 1 1 8 CYS C C -5.566 3.693 -3.553 1.00 . A A . 8 CYS C 1 1 9 3588 1 1 8 CYS CA C -5.436 2.482 -2.665 1.00 . A A . 8 CYS CA 1 1 9 3589 1 1 8 CYS CB C -3.991 2.005 -2.671 1.00 . A A . 8 CYS CB 1 1 9 3590 1 1 8 CYS H H -6.157 1.021 -3.988 1.00 . A A . 8 CYS H 1 1 9 3591 1 1 8 CYS HA H -5.701 2.747 -1.652 1.00 . A A . 8 CYS HA 1 1 9 3592 1 1 8 CYS HB2 H -3.353 2.809 -2.335 1.00 . A A . 8 CYS HB2 1 1 9 3593 1 1 8 CYS HB3 H -3.894 1.170 -1.991 1.00 . A A . 8 CYS HB3 1 1 9 3594 1 1 8 CYS N N -6.306 1.422 -3.103 1.00 . A A . 8 CYS N 1 1 9 3595 1 1 8 CYS O O -5.840 3.575 -4.749 1.00 . A A . 8 CYS O 1 1 9 3596 1 1 8 CYS SG S -3.383 1.466 -4.305 1.00 . A A . 8 CYS SG 1 1 9 3597 1 1 9 SER C C -4.000 6.636 -3.766 1.00 . A A . 9 SER C 1 1 9 3598 1 1 9 SER CA C -5.435 6.077 -3.704 1.00 . A A . 9 SER CA 1 1 9 3599 1 1 9 SER CB C -6.375 7.075 -3.023 1.00 . A A . 9 SER CB 1 1 9 3600 1 1 9 SER H H -5.392 4.883 -1.977 1.00 . A A . 9 SER H 1 1 9 3601 1 1 9 SER HA H -5.792 5.879 -4.704 1.00 . A A . 9 SER HA 1 1 9 3602 1 1 9 SER HB2 H -5.975 7.341 -2.056 1.00 . A A . 9 SER HB2 1 1 9 3603 1 1 9 SER HB3 H -6.468 7.960 -3.635 1.00 . A A . 9 SER HB3 1 1 9 3604 1 1 9 SER HG H -7.529 5.580 -2.579 1.00 . A A . 9 SER HG 1 1 9 3605 1 1 9 SER N N -5.441 4.848 -2.966 1.00 . A A . 9 SER N 1 1 9 3606 1 1 9 SER O O -3.657 7.428 -4.658 1.00 . A A . 9 SER O 1 1 9 3607 1 1 9 SER OG O -7.672 6.499 -2.845 1.00 . A A . 9 SER OG 1 1 9 3608 1 1 10 ASP C C -1.034 5.731 -1.794 1.00 . A A . 10 ASP C 1 1 9 3609 1 1 10 ASP CA C -1.788 6.680 -2.711 1.00 . A A . 10 ASP CA 1 1 9 3610 1 1 10 ASP CB C -1.817 8.084 -2.074 1.00 . A A . 10 ASP CB 1 1 9 3611 1 1 10 ASP CG C -0.483 8.779 -2.049 1.00 . A A . 10 ASP CG 1 1 9 3612 1 1 10 ASP H H -3.438 5.478 -2.222 1.00 . A A . 10 ASP H 1 1 9 3613 1 1 10 ASP HA H -1.321 6.727 -3.683 1.00 . A A . 10 ASP HA 1 1 9 3614 1 1 10 ASP HB2 H -2.508 8.707 -2.618 1.00 . A A . 10 ASP HB2 1 1 9 3615 1 1 10 ASP HB3 H -2.159 7.976 -1.056 1.00 . A A . 10 ASP HB3 1 1 9 3616 1 1 10 ASP N N -3.158 6.186 -2.842 1.00 . A A . 10 ASP N 1 1 9 3617 1 1 10 ASP O O -1.656 4.934 -1.099 1.00 . A A . 10 ASP O 1 1 9 3618 1 1 10 ASP OD1 O 0.292 8.588 -1.098 1.00 . A A . 10 ASP OD1 1 1 9 3619 1 1 10 ASP OD2 O -0.195 9.550 -2.980 1.00 . A A . 10 ASP OD2 1 1 9 3620 1 1 11 ASP C C 0.894 5.354 0.546 1.00 . A A . 11 ASP C 1 1 9 3621 1 1 11 ASP CA C 1.097 4.969 -0.895 1.00 . A A . 11 ASP CA 1 1 9 3622 1 1 11 ASP CB C 2.593 5.064 -1.222 1.00 . A A . 11 ASP CB 1 1 9 3623 1 1 11 ASP CG C 2.948 4.552 -2.589 1.00 . A A . 11 ASP CG 1 1 9 3624 1 1 11 ASP H H 0.692 6.500 -2.343 1.00 . A A . 11 ASP H 1 1 9 3625 1 1 11 ASP HA H 0.769 3.949 -1.031 1.00 . A A . 11 ASP HA 1 1 9 3626 1 1 11 ASP HB2 H 2.899 6.098 -1.165 1.00 . A A . 11 ASP HB2 1 1 9 3627 1 1 11 ASP HB3 H 3.147 4.497 -0.487 1.00 . A A . 11 ASP HB3 1 1 9 3628 1 1 11 ASP N N 0.275 5.822 -1.766 1.00 . A A . 11 ASP N 1 1 9 3629 1 1 11 ASP O O 0.880 4.504 1.441 1.00 . A A . 11 ASP O 1 1 9 3630 1 1 11 ASP OD1 O 2.757 3.360 -2.853 1.00 . A A . 11 ASP OD1 1 1 9 3631 1 1 11 ASP OD2 O 3.469 5.337 -3.409 1.00 . A A . 11 ASP OD2 1 1 9 3632 1 1 12 TYR C C -0.986 7.057 2.469 1.00 . A A . 12 TYR C 1 1 9 3633 1 1 12 TYR CA C 0.478 7.163 2.111 1.00 . A A . 12 TYR CA 1 1 9 3634 1 1 12 TYR CB C 0.974 8.599 2.232 1.00 . A A . 12 TYR CB 1 1 9 3635 1 1 12 TYR CD1 C 3.228 8.867 3.329 1.00 . A A . 12 TYR CD1 1 1 9 3636 1 1 12 TYR CD2 C 3.161 8.711 0.953 1.00 . A A . 12 TYR CD2 1 1 9 3637 1 1 12 TYR CE1 C 4.600 8.976 3.288 1.00 . A A . 12 TYR CE1 1 1 9 3638 1 1 12 TYR CE2 C 4.534 8.823 0.903 1.00 . A A . 12 TYR CE2 1 1 9 3639 1 1 12 TYR CG C 2.482 8.732 2.167 1.00 . A A . 12 TYR CG 1 1 9 3640 1 1 12 TYR CZ C 5.249 8.955 2.075 1.00 . A A . 12 TYR CZ 1 1 9 3641 1 1 12 TYR H H 0.701 7.281 0.020 1.00 . A A . 12 TYR H 1 1 9 3642 1 1 12 TYR HA H 1.033 6.540 2.795 1.00 . A A . 12 TYR HA 1 1 9 3643 1 1 12 TYR HB2 H 0.554 9.180 1.424 1.00 . A A . 12 TYR HB2 1 1 9 3644 1 1 12 TYR HB3 H 0.640 9.007 3.173 1.00 . A A . 12 TYR HB3 1 1 9 3645 1 1 12 TYR HD1 H 2.718 8.883 4.281 1.00 . A A . 12 TYR HD1 1 1 9 3646 1 1 12 TYR HD2 H 2.596 8.608 0.038 1.00 . A A . 12 TYR HD2 1 1 9 3647 1 1 12 TYR HE1 H 5.161 9.080 4.205 1.00 . A A . 12 TYR HE1 1 1 9 3648 1 1 12 TYR HE2 H 5.043 8.806 -0.049 1.00 . A A . 12 TYR HE2 1 1 9 3649 1 1 12 TYR HH H 6.857 9.639 1.305 1.00 . A A . 12 TYR HH 1 1 9 3650 1 1 12 TYR N N 0.705 6.640 0.775 1.00 . A A . 12 TYR N 1 1 9 3651 1 1 12 TYR O O -1.400 7.352 3.589 1.00 . A A . 12 TYR O 1 1 9 3652 1 1 12 TYR OH O 6.621 9.050 2.035 1.00 . A A . 12 TYR OH 1 1 9 3653 1 1 13 ASP C C -3.290 4.938 2.276 1.00 . A A . 13 ASP C 1 1 9 3654 1 1 13 ASP CA C -3.166 6.337 1.704 1.00 . A A . 13 ASP CA 1 1 9 3655 1 1 13 ASP CB C -3.921 6.490 0.379 1.00 . A A . 13 ASP CB 1 1 9 3656 1 1 13 ASP CG C -5.343 5.990 0.392 1.00 . A A . 13 ASP CG 1 1 9 3657 1 1 13 ASP H H -1.378 6.476 0.616 1.00 . A A . 13 ASP H 1 1 9 3658 1 1 13 ASP HA H -3.553 7.038 2.428 1.00 . A A . 13 ASP HA 1 1 9 3659 1 1 13 ASP HB2 H -3.951 7.537 0.116 1.00 . A A . 13 ASP HB2 1 1 9 3660 1 1 13 ASP HB3 H -3.377 5.957 -0.387 1.00 . A A . 13 ASP HB3 1 1 9 3661 1 1 13 ASP N N -1.762 6.623 1.507 1.00 . A A . 13 ASP N 1 1 9 3662 1 1 13 ASP O O -4.282 4.586 2.874 1.00 . A A . 13 ASP O 1 1 9 3663 1 1 13 ASP OD1 O -6.198 6.591 1.056 1.00 . A A . 13 ASP OD1 1 1 9 3664 1 1 13 ASP OD2 O -5.637 5.021 -0.326 1.00 . A A . 13 ASP OD2 1 1 9 3665 1 1 14 CYS C C -1.488 2.863 4.055 1.00 . A A . 14 CYS C 1 1 9 3666 1 1 14 CYS CA C -2.149 2.839 2.682 1.00 . A A . 14 CYS CA 1 1 9 3667 1 1 14 CYS CB C -1.364 1.939 1.740 1.00 . A A . 14 CYS CB 1 1 9 3668 1 1 14 CYS H H -1.430 4.537 1.694 1.00 . A A . 14 CYS H 1 1 9 3669 1 1 14 CYS HA H -3.156 2.460 2.780 1.00 . A A . 14 CYS HA 1 1 9 3670 1 1 14 CYS HB2 H -0.359 2.319 1.636 1.00 . A A . 14 CYS HB2 1 1 9 3671 1 1 14 CYS HB3 H -1.329 0.947 2.161 1.00 . A A . 14 CYS HB3 1 1 9 3672 1 1 14 CYS N N -2.220 4.180 2.152 1.00 . A A . 14 CYS N 1 1 9 3673 1 1 14 CYS O O -0.593 3.692 4.316 1.00 . A A . 14 CYS O 1 1 9 3674 1 1 14 CYS SG S -2.078 1.806 0.078 1.00 . A A . 14 CYS SG 1 1 9 3675 1 1 15 CYS C C -0.004 1.349 6.329 1.00 . A A . 15 CYS C 1 1 9 3676 1 1 15 CYS CA C -1.422 1.907 6.287 1.00 . A A . 15 CYS CA 1 1 9 3677 1 1 15 CYS CB C -2.333 1.036 7.153 1.00 . A A . 15 CYS CB 1 1 9 3678 1 1 15 CYS H H -2.663 1.379 4.669 1.00 . A A . 15 CYS H 1 1 9 3679 1 1 15 CYS HA H -1.422 2.904 6.699 1.00 . A A . 15 CYS HA 1 1 9 3680 1 1 15 CYS HB2 H -2.364 0.040 6.738 1.00 . A A . 15 CYS HB2 1 1 9 3681 1 1 15 CYS HB3 H -1.921 0.991 8.151 1.00 . A A . 15 CYS HB3 1 1 9 3682 1 1 15 CYS N N -1.938 1.993 4.931 1.00 . A A . 15 CYS N 1 1 9 3683 1 1 15 CYS O O 0.353 0.465 5.540 1.00 . A A . 15 CYS O 1 1 9 3684 1 1 15 CYS SG S -4.054 1.619 7.287 1.00 . A A . 15 CYS SG 1 1 9 3685 1 1 16 GLY C C 3.030 1.315 6.278 1.00 . A A . 16 GLY C 1 1 9 3686 1 1 16 GLY CA C 2.134 1.440 7.493 1.00 . A A . 16 GLY CA 1 1 9 3687 1 1 16 GLY H H 0.469 2.698 7.713 1.00 . A A . 16 GLY H 1 1 9 3688 1 1 16 GLY HA2 H 2.605 2.118 8.187 1.00 . A A . 16 GLY HA2 1 1 9 3689 1 1 16 GLY HA3 H 2.057 0.472 7.966 1.00 . A A . 16 GLY HA3 1 1 9 3690 1 1 16 GLY N N 0.796 1.915 7.221 1.00 . A A . 16 GLY N 1 1 9 3691 1 1 16 GLY O O 3.171 2.253 5.477 1.00 . A A . 16 GLY O 1 1 9 3692 1 1 17 SER C C 3.903 -0.630 3.785 1.00 . A A . 17 SER C 1 1 9 3693 1 1 17 SER CA C 4.546 -0.153 5.100 1.00 . A A . 17 SER CA 1 1 9 3694 1 1 17 SER CB C 5.502 -1.200 5.651 1.00 . A A . 17 SER CB 1 1 9 3695 1 1 17 SER H H 3.346 -0.588 6.731 1.00 . A A . 17 SER H 1 1 9 3696 1 1 17 SER HA H 5.113 0.749 4.928 1.00 . A A . 17 SER HA 1 1 9 3697 1 1 17 SER HB2 H 6.078 -1.620 4.839 1.00 . A A . 17 SER HB2 1 1 9 3698 1 1 17 SER HB3 H 6.167 -0.740 6.367 1.00 . A A . 17 SER HB3 1 1 9 3699 1 1 17 SER HG H 5.234 -2.425 7.136 1.00 . A A . 17 SER HG 1 1 9 3700 1 1 17 SER N N 3.582 0.144 6.122 1.00 . A A . 17 SER N 1 1 9 3701 1 1 17 SER O O 4.598 -1.133 2.886 1.00 . A A . 17 SER O 1 1 9 3702 1 1 17 SER OG O 4.774 -2.249 6.303 1.00 . A A . 17 SER OG 1 1 9 3703 1 1 18 LEU C C 2.052 0.200 1.394 1.00 . A A . 18 LEU C 1 1 9 3704 1 1 18 LEU CA C 1.920 -0.872 2.452 1.00 . A A . 18 LEU CA 1 1 9 3705 1 1 18 LEU CB C 0.457 -1.145 2.711 1.00 . A A . 18 LEU CB 1 1 9 3706 1 1 18 LEU CD1 C -1.365 -2.346 3.830 1.00 . A A . 18 LEU CD1 1 1 9 3707 1 1 18 LEU CD2 C 0.726 -3.574 3.305 1.00 . A A . 18 LEU CD2 1 1 9 3708 1 1 18 LEU CG C 0.124 -2.237 3.713 1.00 . A A . 18 LEU CG 1 1 9 3709 1 1 18 LEU H H 2.088 -0.066 4.395 1.00 . A A . 18 LEU H 1 1 9 3710 1 1 18 LEU HA H 2.388 -1.775 2.089 1.00 . A A . 18 LEU HA 1 1 9 3711 1 1 18 LEU HB2 H 0.022 -0.229 3.079 1.00 . A A . 18 LEU HB2 1 1 9 3712 1 1 18 LEU HB3 H -0.011 -1.394 1.770 1.00 . A A . 18 LEU HB3 1 1 9 3713 1 1 18 LEU HD11 H -1.621 -3.153 4.498 1.00 . A A . 18 LEU HD11 1 1 9 3714 1 1 18 LEU HD12 H -1.772 -2.544 2.849 1.00 . A A . 18 LEU HD12 1 1 9 3715 1 1 18 LEU HD13 H -1.768 -1.419 4.208 1.00 . A A . 18 LEU HD13 1 1 9 3716 1 1 18 LEU HD21 H 1.802 -3.491 3.268 1.00 . A A . 18 LEU HD21 1 1 9 3717 1 1 18 LEU HD22 H 0.354 -3.852 2.330 1.00 . A A . 18 LEU HD22 1 1 9 3718 1 1 18 LEU HD23 H 0.448 -4.329 4.025 1.00 . A A . 18 LEU HD23 1 1 9 3719 1 1 18 LEU HG H 0.516 -1.959 4.681 1.00 . A A . 18 LEU HG 1 1 9 3720 1 1 18 LEU N N 2.602 -0.470 3.662 1.00 . A A . 18 LEU N 1 1 9 3721 1 1 18 LEU O O 2.119 1.393 1.704 1.00 . A A . 18 LEU O 1 1 9 3722 1 1 19 CYS C C 1.039 0.519 -1.866 1.00 . A A . 19 CYS C 1 1 9 3723 1 1 19 CYS CA C 2.224 0.664 -0.941 1.00 . A A . 19 CYS CA 1 1 9 3724 1 1 19 CYS CB C 3.509 0.297 -1.662 1.00 . A A . 19 CYS CB 1 1 9 3725 1 1 19 CYS H H 1.939 -1.167 -0.037 1.00 . A A . 19 CYS H 1 1 9 3726 1 1 19 CYS HA H 2.298 1.681 -0.585 1.00 . A A . 19 CYS HA 1 1 9 3727 1 1 19 CYS HB2 H 3.421 -0.704 -2.060 1.00 . A A . 19 CYS HB2 1 1 9 3728 1 1 19 CYS HB3 H 3.673 0.991 -2.471 1.00 . A A . 19 CYS HB3 1 1 9 3729 1 1 19 CYS N N 2.057 -0.214 0.173 1.00 . A A . 19 CYS N 1 1 9 3730 1 1 19 CYS O O 0.288 -0.466 -1.772 1.00 . A A . 19 CYS O 1 1 9 3731 1 1 19 CYS SG S 4.976 0.342 -0.583 1.00 . A A . 19 CYS SG 1 1 9 3732 1 1 20 CYS C C 0.117 0.768 -4.933 1.00 . A A . 20 CYS C 1 1 9 3733 1 1 20 CYS CA C -0.254 1.461 -3.632 1.00 . A A . 20 CYS CA 1 1 9 3734 1 1 20 CYS CB C -0.727 2.888 -3.897 1.00 . A A . 20 CYS CB 1 1 9 3735 1 1 20 CYS H H 1.517 2.206 -2.800 1.00 . A A . 20 CYS H 1 1 9 3736 1 1 20 CYS HA H -1.057 0.913 -3.160 1.00 . A A . 20 CYS HA 1 1 9 3737 1 1 20 CYS HB2 H -0.946 3.368 -2.954 1.00 . A A . 20 CYS HB2 1 1 9 3738 1 1 20 CYS HB3 H 0.066 3.430 -4.391 1.00 . A A . 20 CYS HB3 1 1 9 3739 1 1 20 CYS N N 0.862 1.468 -2.739 1.00 . A A . 20 CYS N 1 1 9 3740 1 1 20 CYS O O 1.055 1.179 -5.639 1.00 . A A . 20 CYS O 1 1 9 3741 1 1 20 CYS SG S -2.222 3.012 -4.936 1.00 . A A . 20 CYS SG 1 1 9 3742 1 1 21 VAL C C -1.796 -1.533 -6.879 1.00 . A A . 21 VAL C 1 1 9 3743 1 1 21 VAL CA C -0.390 -1.057 -6.427 1.00 . A A . 21 VAL CA 1 1 9 3744 1 1 21 VAL CB C 0.621 -2.242 -6.173 1.00 . A A . 21 VAL CB 1 1 9 3745 1 1 21 VAL CG1 C 0.114 -3.266 -5.163 1.00 . A A . 21 VAL CG1 1 1 9 3746 1 1 21 VAL CG2 C 1.086 -2.899 -7.469 1.00 . A A . 21 VAL CG2 1 1 9 3747 1 1 21 VAL H H -1.227 -0.626 -4.554 1.00 . A A . 21 VAL H 1 1 9 3748 1 1 21 VAL HA H 0.005 -0.383 -7.172 1.00 . A A . 21 VAL HA 1 1 9 3749 1 1 21 VAL HB H 1.484 -1.786 -5.708 1.00 . A A . 21 VAL HB 1 1 9 3750 1 1 21 VAL HG11 H -0.061 -2.778 -4.215 1.00 . A A . 21 VAL HG11 1 1 9 3751 1 1 21 VAL HG12 H 0.850 -4.045 -5.037 1.00 . A A . 21 VAL HG12 1 1 9 3752 1 1 21 VAL HG13 H -0.810 -3.697 -5.522 1.00 . A A . 21 VAL HG13 1 1 9 3753 1 1 21 VAL HG21 H 1.628 -2.180 -8.063 1.00 . A A . 21 VAL HG21 1 1 9 3754 1 1 21 VAL HG22 H 0.225 -3.239 -8.024 1.00 . A A . 21 VAL HG22 1 1 9 3755 1 1 21 VAL HG23 H 1.726 -3.738 -7.240 1.00 . A A . 21 VAL HG23 1 1 9 3756 1 1 21 VAL N N -0.567 -0.304 -5.210 1.00 . A A . 21 VAL N 1 1 9 3757 1 1 21 VAL O O -2.003 -2.650 -7.348 1.00 . A A . 21 VAL O 1 1 9 3758 1 1 22 GLY C C -4.809 -1.350 -5.681 1.00 . A A . 22 GLY C 1 1 9 3759 1 1 22 GLY CA C -4.164 -0.963 -6.978 1.00 . A A . 22 GLY CA 1 1 9 3760 1 1 22 GLY H H -2.536 0.261 -6.415 1.00 . A A . 22 GLY H 1 1 9 3761 1 1 22 GLY HA2 H -4.660 -0.099 -7.394 1.00 . A A . 22 GLY HA2 1 1 9 3762 1 1 22 GLY HA3 H -4.229 -1.794 -7.666 1.00 . A A . 22 GLY HA3 1 1 9 3763 1 1 22 GLY N N -2.763 -0.646 -6.716 1.00 . A A . 22 GLY N 1 1 9 3764 1 1 22 GLY O O -5.899 -0.877 -5.308 1.00 . A A . 22 GLY O 1 1 9 3765 1 1 23 ILE C C -3.306 -2.139 -2.777 1.00 . A A . 23 ILE C 1 1 9 3766 1 1 23 ILE CA C -4.434 -2.603 -3.669 1.00 . A A . 23 ILE CA 1 1 9 3767 1 1 23 ILE CB C -4.541 -4.153 -3.557 1.00 . A A . 23 ILE CB 1 1 9 3768 1 1 23 ILE CD1 C -3.217 -6.335 -3.899 1.00 . A A . 23 ILE CD1 1 1 9 3769 1 1 23 ILE CG1 C -3.251 -4.833 -4.071 1.00 . A A . 23 ILE CG1 1 1 9 3770 1 1 23 ILE CG2 C -5.770 -4.673 -4.290 1.00 . A A . 23 ILE CG2 1 1 9 3771 1 1 23 ILE H H -3.293 -2.541 -5.407 1.00 . A A . 23 ILE H 1 1 9 3772 1 1 23 ILE HA H -5.367 -2.150 -3.367 1.00 . A A . 23 ILE HA 1 1 9 3773 1 1 23 ILE HB H -4.659 -4.388 -2.510 1.00 . A A . 23 ILE HB 1 1 9 3774 1 1 23 ILE HD11 H -4.060 -6.773 -4.411 1.00 . A A . 23 ILE HD11 1 1 9 3775 1 1 23 ILE HD12 H -3.262 -6.575 -2.847 1.00 . A A . 23 ILE HD12 1 1 9 3776 1 1 23 ILE HD13 H -2.299 -6.724 -4.317 1.00 . A A . 23 ILE HD13 1 1 9 3777 1 1 23 ILE HG12 H -3.145 -4.626 -5.126 1.00 . A A . 23 ILE HG12 1 1 9 3778 1 1 23 ILE HG13 H -2.404 -4.414 -3.548 1.00 . A A . 23 ILE HG13 1 1 9 3779 1 1 23 ILE HG21 H -6.660 -4.251 -3.848 1.00 . A A . 23 ILE HG21 1 1 9 3780 1 1 23 ILE HG22 H -5.805 -5.750 -4.214 1.00 . A A . 23 ILE HG22 1 1 9 3781 1 1 23 ILE HG23 H -5.714 -4.387 -5.331 1.00 . A A . 23 ILE HG23 1 1 9 3782 1 1 23 ILE N N -4.110 -2.188 -4.991 1.00 . A A . 23 ILE N 1 1 9 3783 1 1 23 ILE O O -2.192 -1.885 -3.269 1.00 . A A . 23 ILE O 1 1 9 3784 1 1 24 CYS C C -1.815 -2.971 -0.259 1.00 . A A . 24 CYS C 1 1 9 3785 1 1 24 CYS CA C -2.527 -1.682 -0.590 1.00 . A A . 24 CYS CA 1 1 9 3786 1 1 24 CYS CB C -3.056 -1.003 0.662 1.00 . A A . 24 CYS CB 1 1 9 3787 1 1 24 CYS H H -4.515 -1.983 -1.227 1.00 . A A . 24 CYS H 1 1 9 3788 1 1 24 CYS HA H -1.825 -1.028 -1.086 1.00 . A A . 24 CYS HA 1 1 9 3789 1 1 24 CYS HB2 H -3.840 -1.611 1.089 1.00 . A A . 24 CYS HB2 1 1 9 3790 1 1 24 CYS HB3 H -2.252 -0.908 1.377 1.00 . A A . 24 CYS HB3 1 1 9 3791 1 1 24 CYS N N -3.578 -1.961 -1.526 1.00 . A A . 24 CYS N 1 1 9 3792 1 1 24 CYS O O -2.398 -3.887 0.342 1.00 . A A . 24 CYS O 1 1 9 3793 1 1 24 CYS SG S -3.730 0.655 0.359 1.00 . A A . 24 CYS SG 1 1 9 3794 1 1 25 ALA C C 1.650 -3.817 -0.375 1.00 . A A . 25 ALA C 1 1 9 3795 1 1 25 ALA CA C 0.214 -4.238 -0.530 1.00 . A A . 25 ALA CA 1 1 9 3796 1 1 25 ALA CB C 0.066 -5.154 -1.738 1.00 . A A . 25 ALA CB 1 1 9 3797 1 1 25 ALA H H -0.202 -2.287 -1.164 1.00 . A A . 25 ALA H 1 1 9 3798 1 1 25 ALA HA H -0.116 -4.766 0.353 1.00 . A A . 25 ALA HA 1 1 9 3799 1 1 25 ALA HB1 H 0.374 -4.626 -2.627 1.00 . A A . 25 ALA HB1 1 1 9 3800 1 1 25 ALA HB2 H -0.966 -5.456 -1.838 1.00 . A A . 25 ALA HB2 1 1 9 3801 1 1 25 ALA HB3 H 0.687 -6.029 -1.607 1.00 . A A . 25 ALA HB3 1 1 9 3802 1 1 25 ALA N N -0.594 -3.063 -0.702 1.00 . A A . 25 ALA N 1 1 9 3803 1 1 25 ALA O O 2.028 -2.734 -0.810 1.00 . A A . 25 ALA O 1 1 9 3804 1 1 26 LYS C C 4.611 -4.783 -0.780 1.00 . A A . 26 LYS C 1 1 9 3805 1 1 26 LYS CA C 3.829 -4.331 0.443 1.00 . A A . 26 LYS CA 1 1 9 3806 1 1 26 LYS CB C 4.347 -5.011 1.714 1.00 . A A . 26 LYS CB 1 1 9 3807 1 1 26 LYS CD C 6.266 -5.441 3.293 1.00 . A A . 26 LYS CD 1 1 9 3808 1 1 26 LYS CE C 5.570 -4.893 4.535 1.00 . A A . 26 LYS CE 1 1 9 3809 1 1 26 LYS CG C 5.811 -4.732 2.024 1.00 . A A . 26 LYS CG 1 1 9 3810 1 1 26 LYS H H 2.076 -5.493 0.563 1.00 . A A . 26 LYS H 1 1 9 3811 1 1 26 LYS HA H 3.925 -3.260 0.544 1.00 . A A . 26 LYS HA 1 1 9 3812 1 1 26 LYS HB2 H 3.751 -4.666 2.546 1.00 . A A . 26 LYS HB2 1 1 9 3813 1 1 26 LYS HB3 H 4.216 -6.078 1.613 1.00 . A A . 26 LYS HB3 1 1 9 3814 1 1 26 LYS HD2 H 6.037 -6.493 3.204 1.00 . A A . 26 LYS HD2 1 1 9 3815 1 1 26 LYS HD3 H 7.332 -5.318 3.401 1.00 . A A . 26 LYS HD3 1 1 9 3816 1 1 26 LYS HE2 H 5.798 -3.842 4.631 1.00 . A A . 26 LYS HE2 1 1 9 3817 1 1 26 LYS HE3 H 4.503 -5.017 4.426 1.00 . A A . 26 LYS HE3 1 1 9 3818 1 1 26 LYS HG2 H 6.416 -5.066 1.194 1.00 . A A . 26 LYS HG2 1 1 9 3819 1 1 26 LYS HG3 H 5.940 -3.668 2.151 1.00 . A A . 26 LYS HG3 1 1 9 3820 1 1 26 LYS HZ1 H 7.040 -5.538 5.873 1.00 . A A . 26 LYS HZ1 1 1 9 3821 1 1 26 LYS HZ2 H 5.742 -6.590 5.732 1.00 . A A . 26 LYS HZ2 1 1 9 3822 1 1 26 LYS HZ3 H 5.572 -5.165 6.604 1.00 . A A . 26 LYS HZ3 1 1 9 3823 1 1 26 LYS N N 2.437 -4.636 0.247 1.00 . A A . 26 LYS N 1 1 9 3824 1 1 26 LYS NZ N 6.007 -5.586 5.760 1.00 . A A . 26 LYS NZ 1 1 9 3825 1 1 26 LYS O O 4.641 -5.977 -1.095 1.00 . A A . 26 LYS O 1 1 9 3826 1 1 27 THR C C 7.405 -4.401 -2.355 1.00 . A A . 27 THR C 1 1 9 3827 1 1 27 THR CA C 5.933 -4.106 -2.678 1.00 . A A . 27 THR CA 1 1 9 3828 1 1 27 THR CB C 5.817 -2.898 -3.626 1.00 . A A . 27 THR CB 1 1 9 3829 1 1 27 THR CG2 C 4.431 -2.842 -4.264 1.00 . A A . 27 THR CG2 1 1 9 3830 1 1 27 THR H H 5.110 -2.900 -1.214 1.00 . A A . 27 THR H 1 1 9 3831 1 1 27 THR HA H 5.497 -4.965 -3.168 1.00 . A A . 27 THR HA 1 1 9 3832 1 1 27 THR HB H 6.565 -2.985 -4.400 1.00 . A A . 27 THR HB 1 1 9 3833 1 1 27 THR HG1 H 7.002 -1.516 -2.784 1.00 . A A . 27 THR HG1 1 1 9 3834 1 1 27 THR HG21 H 3.684 -2.753 -3.490 1.00 . A A . 27 THR HG21 1 1 9 3835 1 1 27 THR HG22 H 4.255 -3.745 -4.830 1.00 . A A . 27 THR HG22 1 1 9 3836 1 1 27 THR HG23 H 4.370 -1.988 -4.923 1.00 . A A . 27 THR HG23 1 1 9 3837 1 1 27 THR N N 5.181 -3.840 -1.481 1.00 . A A . 27 THR N 1 1 9 3838 1 1 27 THR O O 7.834 -4.272 -1.189 1.00 . A A . 27 THR O 1 1 9 3839 1 1 27 THR OG1 O 6.049 -1.680 -2.882 1.00 . A A . 27 THR OG1 1 1 9 3840 1 1 28 ILE C C 10.347 -3.774 -3.027 1.00 . A A . 28 ILE C 1 1 9 3841 1 1 28 ILE CA C 9.582 -5.086 -3.184 1.00 . A A . 28 ILE CA 1 1 9 3842 1 1 28 ILE CB C 10.153 -5.894 -4.391 1.00 . A A . 28 ILE CB 1 1 9 3843 1 1 28 ILE CD1 C 9.764 -8.015 -5.791 1.00 . A A . 28 ILE CD1 1 1 9 3844 1 1 28 ILE CG1 C 9.346 -7.190 -4.587 1.00 . A A . 28 ILE CG1 1 1 9 3845 1 1 28 ILE CG2 C 11.636 -6.215 -4.173 1.00 . A A . 28 ILE CG2 1 1 9 3846 1 1 28 ILE H H 7.779 -4.881 -4.258 1.00 . A A . 28 ILE H 1 1 9 3847 1 1 28 ILE HA H 9.692 -5.667 -2.281 1.00 . A A . 28 ILE HA 1 1 9 3848 1 1 28 ILE HB H 10.066 -5.289 -5.280 1.00 . A A . 28 ILE HB 1 1 9 3849 1 1 28 ILE HD11 H 9.639 -7.428 -6.690 1.00 . A A . 28 ILE HD11 1 1 9 3850 1 1 28 ILE HD12 H 9.151 -8.901 -5.852 1.00 . A A . 28 ILE HD12 1 1 9 3851 1 1 28 ILE HD13 H 10.801 -8.299 -5.689 1.00 . A A . 28 ILE HD13 1 1 9 3852 1 1 28 ILE HG12 H 9.462 -7.812 -3.713 1.00 . A A . 28 ILE HG12 1 1 9 3853 1 1 28 ILE HG13 H 8.302 -6.938 -4.702 1.00 . A A . 28 ILE HG13 1 1 9 3854 1 1 28 ILE HG21 H 12.193 -5.295 -4.074 1.00 . A A . 28 ILE HG21 1 1 9 3855 1 1 28 ILE HG22 H 12.012 -6.774 -5.018 1.00 . A A . 28 ILE HG22 1 1 9 3856 1 1 28 ILE HG23 H 11.749 -6.804 -3.275 1.00 . A A . 28 ILE HG23 1 1 9 3857 1 1 28 ILE N N 8.168 -4.791 -3.361 1.00 . A A . 28 ILE N 1 1 9 3858 1 1 28 ILE O O 11.227 -3.645 -2.173 1.00 . A A . 28 ILE O 1 1 9 3859 1 1 29 ALA C C 9.839 -0.666 -2.722 1.00 . A A . 29 ALA C 1 1 9 3860 1 1 29 ALA CA C 10.582 -1.497 -3.766 1.00 . A A . 29 ALA CA 1 1 9 3861 1 1 29 ALA CB C 10.525 -0.819 -5.130 1.00 . A A . 29 ALA CB 1 1 9 3862 1 1 29 ALA H H 9.310 -2.985 -4.517 1.00 . A A . 29 ALA H 1 1 9 3863 1 1 29 ALA HA H 11.616 -1.608 -3.470 1.00 . A A . 29 ALA HA 1 1 9 3864 1 1 29 ALA HB1 H 9.495 -0.708 -5.432 1.00 . A A . 29 ALA HB1 1 1 9 3865 1 1 29 ALA HB2 H 11.050 -1.421 -5.855 1.00 . A A . 29 ALA HB2 1 1 9 3866 1 1 29 ALA HB3 H 10.988 0.156 -5.067 1.00 . A A . 29 ALA HB3 1 1 9 3867 1 1 29 ALA N N 9.993 -2.809 -3.836 1.00 . A A . 29 ALA N 1 1 9 3868 1 1 29 ALA O O 8.604 -0.770 -2.610 1.00 . A A . 29 ALA O 1 1 9 3869 1 1 30 PRO C C 9.191 2.142 -1.536 1.00 . A A . 30 PRO C 1 1 9 3870 1 1 30 PRO CA C 9.955 0.983 -0.899 1.00 . A A . 30 PRO CA 1 1 9 3871 1 1 30 PRO CB C 11.151 1.509 -0.099 1.00 . A A . 30 PRO CB 1 1 9 3872 1 1 30 PRO CD C 12.040 0.240 -1.915 1.00 . A A . 30 PRO CD 1 1 9 3873 1 1 30 PRO CG C 12.297 1.433 -1.035 1.00 . A A . 30 PRO CG 1 1 9 3874 1 1 30 PRO HA H 9.292 0.424 -0.255 1.00 . A A . 30 PRO HA 1 1 9 3875 1 1 30 PRO HB2 H 10.959 2.527 0.209 1.00 . A A . 30 PRO HB2 1 1 9 3876 1 1 30 PRO HB3 H 11.314 0.891 0.771 1.00 . A A . 30 PRO HB3 1 1 9 3877 1 1 30 PRO HD2 H 12.413 0.421 -2.912 1.00 . A A . 30 PRO HD2 1 1 9 3878 1 1 30 PRO HD3 H 12.494 -0.645 -1.496 1.00 . A A . 30 PRO HD3 1 1 9 3879 1 1 30 PRO HG2 H 12.334 2.337 -1.625 1.00 . A A . 30 PRO HG2 1 1 9 3880 1 1 30 PRO HG3 H 13.215 1.308 -0.482 1.00 . A A . 30 PRO HG3 1 1 9 3881 1 1 30 PRO N N 10.565 0.125 -1.914 1.00 . A A . 30 PRO N 1 1 9 3882 1 1 30 PRO O O 9.637 2.730 -2.535 1.00 . A A . 30 PRO O 1 1 9 3883 1 1 31 CYS C C 7.247 4.753 -0.617 1.00 . A A . 31 CYS C 1 1 9 3884 1 1 31 CYS CA C 7.237 3.523 -1.507 1.00 . A A . 31 CYS CA 1 1 9 3885 1 1 31 CYS CB C 5.832 3.003 -1.670 1.00 . A A . 31 CYS CB 1 1 9 3886 1 1 31 CYS H H 7.790 2.012 -0.151 1.00 . A A . 31 CYS H 1 1 9 3887 1 1 31 CYS HA H 7.619 3.788 -2.481 1.00 . A A . 31 CYS HA 1 1 9 3888 1 1 31 CYS HB2 H 5.186 3.811 -1.982 1.00 . A A . 31 CYS HB2 1 1 9 3889 1 1 31 CYS HB3 H 5.822 2.226 -2.420 1.00 . A A . 31 CYS HB3 1 1 9 3890 1 1 31 CYS N N 8.074 2.477 -0.968 1.00 . A A . 31 CYS N 1 1 9 3891 1 1 31 CYS O O 6.669 5.795 -0.959 1.00 . A A . 31 CYS O 1 1 9 3892 1 1 31 CYS SG S 5.152 2.301 -0.138 1.00 . A A . 31 CYS SG 1 1 9 3893 1 1 32 LYS C C 9.435 5.909 1.845 1.00 . A A . 32 LYS C 1 1 9 3894 1 1 32 LYS CA C 7.983 5.735 1.442 1.00 . A A . 32 LYS CA 1 1 9 3895 1 1 32 LYS CB C 7.104 5.500 2.683 1.00 . A A . 32 LYS CB 1 1 9 3896 1 1 32 LYS CD C 4.863 5.198 3.707 1.00 . A A . 32 LYS CD 1 1 9 3897 1 1 32 LYS CE C 3.408 4.912 3.465 1.00 . A A . 32 LYS CE 1 1 9 3898 1 1 32 LYS CG C 5.631 5.314 2.407 1.00 . A A . 32 LYS CG 1 1 9 3899 1 1 32 LYS H H 8.334 3.800 0.758 1.00 . A A . 32 LYS H 1 1 9 3900 1 1 32 LYS HA H 7.651 6.628 0.933 1.00 . A A . 32 LYS HA 1 1 9 3901 1 1 32 LYS HB2 H 7.421 4.608 3.199 1.00 . A A . 32 LYS HB2 1 1 9 3902 1 1 32 LYS HB3 H 7.210 6.344 3.346 1.00 . A A . 32 LYS HB3 1 1 9 3903 1 1 32 LYS HD2 H 5.273 4.372 4.270 1.00 . A A . 32 LYS HD2 1 1 9 3904 1 1 32 LYS HD3 H 4.962 6.115 4.269 1.00 . A A . 32 LYS HD3 1 1 9 3905 1 1 32 LYS HE2 H 2.866 5.103 4.377 1.00 . A A . 32 LYS HE2 1 1 9 3906 1 1 32 LYS HE3 H 3.077 5.581 2.686 1.00 . A A . 32 LYS HE3 1 1 9 3907 1 1 32 LYS HG2 H 5.269 6.171 1.857 1.00 . A A . 32 LYS HG2 1 1 9 3908 1 1 32 LYS HG3 H 5.485 4.418 1.822 1.00 . A A . 32 LYS HG3 1 1 9 3909 1 1 32 LYS HZ1 H 3.816 3.215 2.272 1.00 . A A . 32 LYS HZ1 1 1 9 3910 1 1 32 LYS HZ2 H 2.208 3.365 2.698 1.00 . A A . 32 LYS HZ2 1 1 9 3911 1 1 32 LYS HZ3 H 3.339 2.878 3.846 1.00 . A A . 32 LYS HZ3 1 1 9 3912 1 1 32 LYS N N 7.888 4.641 0.520 1.00 . A A . 32 LYS N 1 1 9 3913 1 1 32 LYS NZ N 3.180 3.518 3.037 1.00 . A A . 32 LYS NZ 1 1 9 3914 1 1 32 LYS O O 10.190 6.538 1.085 1.00 . A A . 32 LYS O 1 1 9 3915 1 1 32 LYS OXT O 9.842 5.394 2.907 1.00 . A A . 32 LYS OXT 1 1 10 3916 1 1 1 CYS C C -6.086 3.381 5.273 1.00 . A A . 1 CYS C 1 1 10 3917 1 1 1 CYS CA C -5.357 4.685 5.578 1.00 . A A . 1 CYS CA 1 1 10 3918 1 1 1 CYS CB C -3.931 4.426 6.098 1.00 . A A . 1 CYS CB 1 1 10 3919 1 1 1 CYS H1 H -7.046 5.652 6.143 1.00 . A A . 1 CYS H1 1 1 10 3920 1 1 1 CYS H2 H -5.620 6.357 6.736 1.00 . A A . 1 CYS H2 1 1 10 3921 1 1 1 CYS H3 H -6.213 4.922 7.423 1.00 . A A . 1 CYS H3 1 1 10 3922 1 1 1 CYS HA H -5.300 5.259 4.664 1.00 . A A . 1 CYS HA 1 1 10 3923 1 1 1 CYS HB2 H -3.410 3.801 5.389 1.00 . A A . 1 CYS HB2 1 1 10 3924 1 1 1 CYS HB3 H -3.406 5.366 6.182 1.00 . A A . 1 CYS HB3 1 1 10 3925 1 1 1 CYS N N -6.106 5.458 6.540 1.00 . A A . 1 CYS N 1 1 10 3926 1 1 1 CYS O O -6.933 2.923 6.068 1.00 . A A . 1 CYS O 1 1 10 3927 1 1 1 CYS SG S -3.837 3.590 7.723 1.00 . A A . 1 CYS SG 1 1 10 3928 1 1 2 ALA C C -5.460 0.444 4.088 1.00 . A A . 2 ALA C 1 1 10 3929 1 1 2 ALA CA C -6.385 1.577 3.688 1.00 . A A . 2 ALA CA 1 1 10 3930 1 1 2 ALA CB C -6.596 1.595 2.182 1.00 . A A . 2 ALA CB 1 1 10 3931 1 1 2 ALA H H -5.206 3.283 3.492 1.00 . A A . 2 ALA H 1 1 10 3932 1 1 2 ALA HA H -7.341 1.450 4.173 1.00 . A A . 2 ALA HA 1 1 10 3933 1 1 2 ALA HB1 H -5.644 1.710 1.688 1.00 . A A . 2 ALA HB1 1 1 10 3934 1 1 2 ALA HB2 H -7.238 2.422 1.919 1.00 . A A . 2 ALA HB2 1 1 10 3935 1 1 2 ALA HB3 H -7.056 0.669 1.868 1.00 . A A . 2 ALA HB3 1 1 10 3936 1 1 2 ALA N N -5.819 2.825 4.115 1.00 . A A . 2 ALA N 1 1 10 3937 1 1 2 ALA O O -4.230 0.627 4.161 1.00 . A A . 2 ALA O 1 1 10 3938 1 1 3 VAL C C -4.970 -2.761 3.625 1.00 . A A . 3 VAL C 1 1 10 3939 1 1 3 VAL CA C -5.247 -1.836 4.800 1.00 . A A . 3 VAL CA 1 1 10 3940 1 1 3 VAL CB C -5.934 -2.622 5.954 1.00 . A A . 3 VAL CB 1 1 10 3941 1 1 3 VAL CG1 C -6.122 -1.734 7.171 1.00 . A A . 3 VAL CG1 1 1 10 3942 1 1 3 VAL CG2 C -7.267 -3.214 5.512 1.00 . A A . 3 VAL CG2 1 1 10 3943 1 1 3 VAL H H -7.003 -0.784 4.269 1.00 . A A . 3 VAL H 1 1 10 3944 1 1 3 VAL HA H -4.301 -1.457 5.158 1.00 . A A . 3 VAL HA 1 1 10 3945 1 1 3 VAL HB H -5.277 -3.431 6.237 1.00 . A A . 3 VAL HB 1 1 10 3946 1 1 3 VAL HG11 H -6.613 -2.297 7.951 1.00 . A A . 3 VAL HG11 1 1 10 3947 1 1 3 VAL HG12 H -6.726 -0.881 6.904 1.00 . A A . 3 VAL HG12 1 1 10 3948 1 1 3 VAL HG13 H -5.158 -1.396 7.523 1.00 . A A . 3 VAL HG13 1 1 10 3949 1 1 3 VAL HG21 H -7.096 -3.911 4.705 1.00 . A A . 3 VAL HG21 1 1 10 3950 1 1 3 VAL HG22 H -7.904 -2.419 5.153 1.00 . A A . 3 VAL HG22 1 1 10 3951 1 1 3 VAL HG23 H -7.740 -3.721 6.340 1.00 . A A . 3 VAL HG23 1 1 10 3952 1 1 3 VAL N N -6.026 -0.694 4.374 1.00 . A A . 3 VAL N 1 1 10 3953 1 1 3 VAL O O -5.305 -2.438 2.476 1.00 . A A . 3 VAL O 1 1 10 3954 1 1 4 THR C C -5.265 -5.320 2.129 1.00 . A A . 4 THR C 1 1 10 3955 1 1 4 THR CA C -4.009 -4.873 2.904 1.00 . A A . 4 THR CA 1 1 10 3956 1 1 4 THR CB C -3.338 -6.094 3.570 1.00 . A A . 4 THR CB 1 1 10 3957 1 1 4 THR CG2 C -2.830 -7.076 2.530 1.00 . A A . 4 THR CG2 1 1 10 3958 1 1 4 THR H H -4.105 -4.066 4.842 1.00 . A A . 4 THR H 1 1 10 3959 1 1 4 THR HA H -3.307 -4.427 2.215 1.00 . A A . 4 THR HA 1 1 10 3960 1 1 4 THR HB H -4.052 -6.585 4.212 1.00 . A A . 4 THR HB 1 1 10 3961 1 1 4 THR HG1 H -2.552 -5.263 5.171 1.00 . A A . 4 THR HG1 1 1 10 3962 1 1 4 THR HG21 H -2.368 -7.918 3.024 1.00 . A A . 4 THR HG21 1 1 10 3963 1 1 4 THR HG22 H -2.105 -6.582 1.900 1.00 . A A . 4 THR HG22 1 1 10 3964 1 1 4 THR HG23 H -3.656 -7.419 1.925 1.00 . A A . 4 THR HG23 1 1 10 3965 1 1 4 THR N N -4.344 -3.886 3.908 1.00 . A A . 4 THR N 1 1 10 3966 1 1 4 THR O O -6.312 -5.590 2.726 1.00 . A A . 4 THR O 1 1 10 3967 1 1 4 THR OG1 O -2.223 -5.642 4.346 1.00 . A A . 4 THR OG1 1 1 10 3968 1 1 5 HIS C C -7.307 -4.688 -0.338 1.00 . A A . 5 HIS C 1 1 10 3969 1 1 5 HIS CA C -6.207 -5.732 -0.139 1.00 . A A . 5 HIS CA 1 1 10 3970 1 1 5 HIS CB C -6.792 -7.134 0.162 1.00 . A A . 5 HIS CB 1 1 10 3971 1 1 5 HIS CD2 C -5.235 -8.737 -1.157 1.00 . A A . 5 HIS CD2 1 1 10 3972 1 1 5 HIS CE1 C -4.544 -9.981 0.474 1.00 . A A . 5 HIS CE1 1 1 10 3973 1 1 5 HIS CG C -5.818 -8.264 -0.026 1.00 . A A . 5 HIS CG 1 1 10 3974 1 1 5 HIS H H -4.292 -5.012 0.424 1.00 . A A . 5 HIS H 1 1 10 3975 1 1 5 HIS HA H -5.700 -5.786 -1.091 1.00 . A A . 5 HIS HA 1 1 10 3976 1 1 5 HIS HB2 H -7.128 -7.159 1.188 1.00 . A A . 5 HIS HB2 1 1 10 3977 1 1 5 HIS HB3 H -7.637 -7.307 -0.490 1.00 . A A . 5 HIS HB3 1 1 10 3978 1 1 5 HIS HD1 H -5.600 -9.004 1.948 1.00 . A A . 5 HIS HD1 1 1 10 3979 1 1 5 HIS HD2 H -5.369 -8.344 -2.153 1.00 . A A . 5 HIS HD2 1 1 10 3980 1 1 5 HIS HE1 H -4.037 -10.745 1.045 1.00 . A A . 5 HIS HE1 1 1 10 3981 1 1 5 HIS N N -5.148 -5.316 0.801 1.00 . A A . 5 HIS N 1 1 10 3982 1 1 5 HIS ND1 N -5.365 -9.072 0.995 1.00 . A A . 5 HIS ND1 1 1 10 3983 1 1 5 HIS NE2 N -4.429 -9.827 -0.835 1.00 . A A . 5 HIS NE2 1 1 10 3984 1 1 5 HIS O O -8.209 -4.881 -1.176 1.00 . A A . 5 HIS O 1 1 10 3985 1 1 6 GLU C C -7.625 -1.626 -0.910 1.00 . A A . 6 GLU C 1 1 10 3986 1 1 6 GLU CA C -8.181 -2.516 0.165 1.00 . A A . 6 GLU CA 1 1 10 3987 1 1 6 GLU CB C -8.469 -1.695 1.415 1.00 . A A . 6 GLU CB 1 1 10 3988 1 1 6 GLU CD C -9.687 -1.474 3.566 1.00 . A A . 6 GLU CD 1 1 10 3989 1 1 6 GLU CG C -9.193 -2.425 2.511 1.00 . A A . 6 GLU CG 1 1 10 3990 1 1 6 GLU H H -6.564 -3.498 1.091 1.00 . A A . 6 GLU H 1 1 10 3991 1 1 6 GLU HA H -9.098 -2.957 -0.199 1.00 . A A . 6 GLU HA 1 1 10 3992 1 1 6 GLU HB2 H -7.527 -1.379 1.839 1.00 . A A . 6 GLU HB2 1 1 10 3993 1 1 6 GLU HB3 H -9.049 -0.826 1.143 1.00 . A A . 6 GLU HB3 1 1 10 3994 1 1 6 GLU HG2 H -10.040 -2.946 2.086 1.00 . A A . 6 GLU HG2 1 1 10 3995 1 1 6 GLU HG3 H -8.521 -3.136 2.968 1.00 . A A . 6 GLU HG3 1 1 10 3996 1 1 6 GLU N N -7.250 -3.596 0.395 1.00 . A A . 6 GLU N 1 1 10 3997 1 1 6 GLU O O -6.405 -1.554 -1.081 1.00 . A A . 6 GLU O 1 1 10 3998 1 1 6 GLU OE1 O -8.877 -0.706 4.135 1.00 . A A . 6 GLU OE1 1 1 10 3999 1 1 6 GLU OE2 O -10.910 -1.464 3.855 1.00 . A A . 6 GLU OE2 1 1 10 4000 1 1 7 LYS C C -7.391 1.121 -2.220 1.00 . A A . 7 LYS C 1 1 10 4001 1 1 7 LYS CA C -8.081 -0.122 -2.727 1.00 . A A . 7 LYS CA 1 1 10 4002 1 1 7 LYS CB C -9.259 0.251 -3.602 1.00 . A A . 7 LYS CB 1 1 10 4003 1 1 7 LYS CD C -11.063 -0.506 -5.162 1.00 . A A . 7 LYS CD 1 1 10 4004 1 1 7 LYS CE C -10.547 0.311 -6.332 1.00 . A A . 7 LYS CE 1 1 10 4005 1 1 7 LYS CG C -9.937 -0.940 -4.251 1.00 . A A . 7 LYS CG 1 1 10 4006 1 1 7 LYS H H -9.446 -1.040 -1.418 1.00 . A A . 7 LYS H 1 1 10 4007 1 1 7 LYS HA H -7.376 -0.682 -3.324 1.00 . A A . 7 LYS HA 1 1 10 4008 1 1 7 LYS HB2 H -9.987 0.771 -2.997 1.00 . A A . 7 LYS HB2 1 1 10 4009 1 1 7 LYS HB3 H -8.903 0.911 -4.376 1.00 . A A . 7 LYS HB3 1 1 10 4010 1 1 7 LYS HD2 H -11.567 -1.383 -5.538 1.00 . A A . 7 LYS HD2 1 1 10 4011 1 1 7 LYS HD3 H -11.757 0.094 -4.594 1.00 . A A . 7 LYS HD3 1 1 10 4012 1 1 7 LYS HE2 H -10.038 1.184 -5.954 1.00 . A A . 7 LYS HE2 1 1 10 4013 1 1 7 LYS HE3 H -9.853 -0.294 -6.898 1.00 . A A . 7 LYS HE3 1 1 10 4014 1 1 7 LYS HG2 H -9.208 -1.488 -4.830 1.00 . A A . 7 LYS HG2 1 1 10 4015 1 1 7 LYS HG3 H -10.336 -1.578 -3.476 1.00 . A A . 7 LYS HG3 1 1 10 4016 1 1 7 LYS HZ1 H -11.222 1.309 -8.008 1.00 . A A . 7 LYS HZ1 1 1 10 4017 1 1 7 LYS HZ2 H -12.301 1.374 -6.719 1.00 . A A . 7 LYS HZ2 1 1 10 4018 1 1 7 LYS HZ3 H -12.137 -0.046 -7.625 1.00 . A A . 7 LYS HZ3 1 1 10 4019 1 1 7 LYS N N -8.492 -0.973 -1.636 1.00 . A A . 7 LYS N 1 1 10 4020 1 1 7 LYS NZ N -11.626 0.763 -7.220 1.00 . A A . 7 LYS NZ 1 1 10 4021 1 1 7 LYS O O -7.792 1.696 -1.208 1.00 . A A . 7 LYS O 1 1 10 4022 1 1 8 CYS C C -5.638 3.734 -3.551 1.00 . A A . 8 CYS C 1 1 10 4023 1 1 8 CYS CA C -5.586 2.645 -2.514 1.00 . A A . 8 CYS CA 1 1 10 4024 1 1 8 CYS CB C -4.153 2.191 -2.355 1.00 . A A . 8 CYS CB 1 1 10 4025 1 1 8 CYS H H -6.129 1.050 -3.737 1.00 . A A . 8 CYS H 1 1 10 4026 1 1 8 CYS HA H -5.931 3.012 -1.560 1.00 . A A . 8 CYS HA 1 1 10 4027 1 1 8 CYS HB2 H -3.530 3.049 -2.149 1.00 . A A . 8 CYS HB2 1 1 10 4028 1 1 8 CYS HB3 H -4.088 1.496 -1.532 1.00 . A A . 8 CYS HB3 1 1 10 4029 1 1 8 CYS N N -6.379 1.521 -2.913 1.00 . A A . 8 CYS N 1 1 10 4030 1 1 8 CYS O O -5.850 3.462 -4.750 1.00 . A A . 8 CYS O 1 1 10 4031 1 1 8 CYS SG S -3.489 1.358 -3.841 1.00 . A A . 8 CYS SG 1 1 10 4032 1 1 9 SER C C -3.926 6.543 -4.065 1.00 . A A . 9 SER C 1 1 10 4033 1 1 9 SER CA C -5.375 6.067 -4.010 1.00 . A A . 9 SER CA 1 1 10 4034 1 1 9 SER CB C -6.320 7.191 -3.597 1.00 . A A . 9 SER CB 1 1 10 4035 1 1 9 SER H H -5.499 5.111 -2.134 1.00 . A A . 9 SER H 1 1 10 4036 1 1 9 SER HA H -5.650 5.715 -4.992 1.00 . A A . 9 SER HA 1 1 10 4037 1 1 9 SER HB2 H -6.104 8.066 -4.191 1.00 . A A . 9 SER HB2 1 1 10 4038 1 1 9 SER HB3 H -7.340 6.885 -3.769 1.00 . A A . 9 SER HB3 1 1 10 4039 1 1 9 SER HG H -6.344 6.759 -1.658 1.00 . A A . 9 SER HG 1 1 10 4040 1 1 9 SER N N -5.493 4.954 -3.108 1.00 . A A . 9 SER N 1 1 10 4041 1 1 9 SER O O -3.461 7.072 -5.074 1.00 . A A . 9 SER O 1 1 10 4042 1 1 9 SER OG O -6.153 7.524 -2.223 1.00 . A A . 9 SER OG 1 1 10 4043 1 1 10 ASP C C -1.123 5.762 -1.941 1.00 . A A . 10 ASP C 1 1 10 4044 1 1 10 ASP CA C -1.828 6.719 -2.876 1.00 . A A . 10 ASP CA 1 1 10 4045 1 1 10 ASP CB C -1.720 8.170 -2.352 1.00 . A A . 10 ASP CB 1 1 10 4046 1 1 10 ASP CG C -0.295 8.678 -2.293 1.00 . A A . 10 ASP CG 1 1 10 4047 1 1 10 ASP H H -3.608 5.841 -2.224 1.00 . A A . 10 ASP H 1 1 10 4048 1 1 10 ASP HA H -1.379 6.656 -3.855 1.00 . A A . 10 ASP HA 1 1 10 4049 1 1 10 ASP HB2 H -2.282 8.824 -3.001 1.00 . A A . 10 ASP HB2 1 1 10 4050 1 1 10 ASP HB3 H -2.137 8.208 -1.358 1.00 . A A . 10 ASP HB3 1 1 10 4051 1 1 10 ASP N N -3.210 6.316 -2.984 1.00 . A A . 10 ASP N 1 1 10 4052 1 1 10 ASP O O -1.774 5.017 -1.216 1.00 . A A . 10 ASP O 1 1 10 4053 1 1 10 ASP OD1 O 0.281 8.976 -3.352 1.00 . A A . 10 ASP OD1 1 1 10 4054 1 1 10 ASP OD2 O 0.275 8.771 -1.190 1.00 . A A . 10 ASP OD2 1 1 10 4055 1 1 11 ASP C C 0.869 5.274 0.325 1.00 . A A . 11 ASP C 1 1 10 4056 1 1 11 ASP CA C 0.987 4.893 -1.130 1.00 . A A . 11 ASP CA 1 1 10 4057 1 1 11 ASP CB C 2.447 4.942 -1.559 1.00 . A A . 11 ASP CB 1 1 10 4058 1 1 11 ASP CG C 2.644 4.566 -3.004 1.00 . A A . 11 ASP CG 1 1 10 4059 1 1 11 ASP H H 0.623 6.448 -2.518 1.00 . A A . 11 ASP H 1 1 10 4060 1 1 11 ASP HA H 0.615 3.888 -1.263 1.00 . A A . 11 ASP HA 1 1 10 4061 1 1 11 ASP HB2 H 2.823 5.946 -1.418 1.00 . A A . 11 ASP HB2 1 1 10 4062 1 1 11 ASP HB3 H 3.019 4.262 -0.947 1.00 . A A . 11 ASP HB3 1 1 10 4063 1 1 11 ASP N N 0.181 5.785 -1.948 1.00 . A A . 11 ASP N 1 1 10 4064 1 1 11 ASP O O 0.767 4.423 1.196 1.00 . A A . 11 ASP O 1 1 10 4065 1 1 11 ASP OD1 O 2.860 5.476 -3.847 1.00 . A A . 11 ASP OD1 1 1 10 4066 1 1 11 ASP OD2 O 2.566 3.380 -3.341 1.00 . A A . 11 ASP OD2 1 1 10 4067 1 1 12 TYR C C -0.750 6.943 2.428 1.00 . A A . 12 TYR C 1 1 10 4068 1 1 12 TYR CA C 0.690 7.072 1.944 1.00 . A A . 12 TYR CA 1 1 10 4069 1 1 12 TYR CB C 1.195 8.522 2.033 1.00 . A A . 12 TYR CB 1 1 10 4070 1 1 12 TYR CD1 C 3.201 8.499 0.474 1.00 . A A . 12 TYR CD1 1 1 10 4071 1 1 12 TYR CD2 C 3.569 9.008 2.768 1.00 . A A . 12 TYR CD2 1 1 10 4072 1 1 12 TYR CE1 C 4.545 8.638 0.218 1.00 . A A . 12 TYR CE1 1 1 10 4073 1 1 12 TYR CE2 C 4.919 9.150 2.517 1.00 . A A . 12 TYR CE2 1 1 10 4074 1 1 12 TYR CG C 2.684 8.678 1.753 1.00 . A A . 12 TYR CG 1 1 10 4075 1 1 12 TYR CZ C 5.398 8.963 1.239 1.00 . A A . 12 TYR CZ 1 1 10 4076 1 1 12 TYR H H 0.809 7.220 -0.155 1.00 . A A . 12 TYR H 1 1 10 4077 1 1 12 TYR HA H 1.304 6.443 2.572 1.00 . A A . 12 TYR HA 1 1 10 4078 1 1 12 TYR HB2 H 0.668 9.118 1.303 1.00 . A A . 12 TYR HB2 1 1 10 4079 1 1 12 TYR HB3 H 0.996 8.910 3.021 1.00 . A A . 12 TYR HB3 1 1 10 4080 1 1 12 TYR HD1 H 2.527 8.241 -0.330 1.00 . A A . 12 TYR HD1 1 1 10 4081 1 1 12 TYR HD2 H 3.190 9.155 3.769 1.00 . A A . 12 TYR HD2 1 1 10 4082 1 1 12 TYR HE1 H 4.923 8.494 -0.783 1.00 . A A . 12 TYR HE1 1 1 10 4083 1 1 12 TYR HE2 H 5.594 9.407 3.320 1.00 . A A . 12 TYR HE2 1 1 10 4084 1 1 12 TYR HH H 6.824 9.617 0.175 1.00 . A A . 12 TYR HH 1 1 10 4085 1 1 12 TYR N N 0.804 6.566 0.583 1.00 . A A . 12 TYR N 1 1 10 4086 1 1 12 TYR O O -1.059 7.170 3.598 1.00 . A A . 12 TYR O 1 1 10 4087 1 1 12 TYR OH O 6.740 9.099 0.983 1.00 . A A . 12 TYR OH 1 1 10 4088 1 1 13 ASP C C -3.158 4.827 2.284 1.00 . A A . 13 ASP C 1 1 10 4089 1 1 13 ASP CA C -3.022 6.268 1.782 1.00 . A A . 13 ASP CA 1 1 10 4090 1 1 13 ASP CB C -3.856 6.530 0.494 1.00 . A A . 13 ASP CB 1 1 10 4091 1 1 13 ASP CG C -5.338 6.155 0.548 1.00 . A A . 13 ASP CG 1 1 10 4092 1 1 13 ASP H H -1.288 6.391 0.597 1.00 . A A . 13 ASP H 1 1 10 4093 1 1 13 ASP HA H -3.342 6.940 2.565 1.00 . A A . 13 ASP HA 1 1 10 4094 1 1 13 ASP HB2 H -3.803 7.582 0.261 1.00 . A A . 13 ASP HB2 1 1 10 4095 1 1 13 ASP HB3 H -3.395 5.983 -0.317 1.00 . A A . 13 ASP HB3 1 1 10 4096 1 1 13 ASP N N -1.614 6.536 1.511 1.00 . A A . 13 ASP N 1 1 10 4097 1 1 13 ASP O O -4.189 4.418 2.763 1.00 . A A . 13 ASP O 1 1 10 4098 1 1 13 ASP OD1 O -5.826 5.487 -0.411 1.00 . A A . 13 ASP OD1 1 1 10 4099 1 1 13 ASP OD2 O -6.052 6.558 1.497 1.00 . A A . 13 ASP OD2 1 1 10 4100 1 1 14 CYS C C -1.336 2.697 4.065 1.00 . A A . 14 CYS C 1 1 10 4101 1 1 14 CYS CA C -2.008 2.726 2.707 1.00 . A A . 14 CYS CA 1 1 10 4102 1 1 14 CYS CB C -1.245 1.842 1.737 1.00 . A A . 14 CYS CB 1 1 10 4103 1 1 14 CYS H H -1.257 4.466 1.812 1.00 . A A . 14 CYS H 1 1 10 4104 1 1 14 CYS HA H -3.018 2.357 2.802 1.00 . A A . 14 CYS HA 1 1 10 4105 1 1 14 CYS HB2 H -0.255 2.245 1.585 1.00 . A A . 14 CYS HB2 1 1 10 4106 1 1 14 CYS HB3 H -1.170 0.852 2.164 1.00 . A A . 14 CYS HB3 1 1 10 4107 1 1 14 CYS N N -2.067 4.088 2.212 1.00 . A A . 14 CYS N 1 1 10 4108 1 1 14 CYS O O -0.351 3.408 4.287 1.00 . A A . 14 CYS O 1 1 10 4109 1 1 14 CYS SG S -2.041 1.690 0.124 1.00 . A A . 14 CYS SG 1 1 10 4110 1 1 15 CYS C C 0.012 1.080 6.343 1.00 . A A . 15 CYS C 1 1 10 4111 1 1 15 CYS CA C -1.356 1.772 6.330 1.00 . A A . 15 CYS CA 1 1 10 4112 1 1 15 CYS CB C -2.333 0.961 7.186 1.00 . A A . 15 CYS CB 1 1 10 4113 1 1 15 CYS H H -2.666 1.367 4.719 1.00 . A A . 15 CYS H 1 1 10 4114 1 1 15 CYS HA H -1.264 2.760 6.755 1.00 . A A . 15 CYS HA 1 1 10 4115 1 1 15 CYS HB2 H -2.397 -0.035 6.774 1.00 . A A . 15 CYS HB2 1 1 10 4116 1 1 15 CYS HB3 H -1.947 0.903 8.193 1.00 . A A . 15 CYS HB3 1 1 10 4117 1 1 15 CYS N N -1.875 1.900 4.969 1.00 . A A . 15 CYS N 1 1 10 4118 1 1 15 CYS O O 0.398 0.418 5.371 1.00 . A A . 15 CYS O 1 1 10 4119 1 1 15 CYS SG S -4.040 1.619 7.271 1.00 . A A . 15 CYS SG 1 1 10 4120 1 1 16 GLY C C 3.037 1.026 6.588 1.00 . A A . 16 GLY C 1 1 10 4121 1 1 16 GLY CA C 2.017 0.609 7.615 1.00 . A A . 16 GLY CA 1 1 10 4122 1 1 16 GLY H H 0.419 1.842 8.146 1.00 . A A . 16 GLY H 1 1 10 4123 1 1 16 GLY HA2 H 2.394 0.857 8.597 1.00 . A A . 16 GLY HA2 1 1 10 4124 1 1 16 GLY HA3 H 1.878 -0.460 7.555 1.00 . A A . 16 GLY HA3 1 1 10 4125 1 1 16 GLY N N 0.738 1.250 7.432 1.00 . A A . 16 GLY N 1 1 10 4126 1 1 16 GLY O O 3.173 2.214 6.266 1.00 . A A . 16 GLY O 1 1 10 4127 1 1 17 SER C C 4.224 -0.153 3.688 1.00 . A A . 17 SER C 1 1 10 4128 1 1 17 SER CA C 4.727 0.310 5.051 1.00 . A A . 17 SER CA 1 1 10 4129 1 1 17 SER CB C 6.022 -0.392 5.458 1.00 . A A . 17 SER CB 1 1 10 4130 1 1 17 SER H H 3.580 -0.856 6.352 1.00 . A A . 17 SER H 1 1 10 4131 1 1 17 SER HA H 4.906 1.374 5.010 1.00 . A A . 17 SER HA 1 1 10 4132 1 1 17 SER HB2 H 6.683 -0.450 4.606 1.00 . A A . 17 SER HB2 1 1 10 4133 1 1 17 SER HB3 H 6.498 0.167 6.250 1.00 . A A . 17 SER HB3 1 1 10 4134 1 1 17 SER HG H 5.372 -1.636 6.805 1.00 . A A . 17 SER HG 1 1 10 4135 1 1 17 SER N N 3.729 0.069 6.060 1.00 . A A . 17 SER N 1 1 10 4136 1 1 17 SER O O 4.987 -0.266 2.729 1.00 . A A . 17 SER O 1 1 10 4137 1 1 17 SER OG O 5.759 -1.712 5.925 1.00 . A A . 17 SER OG 1 1 10 4138 1 1 18 LEU C C 2.300 0.249 1.332 1.00 . A A . 18 LEU C 1 1 10 4139 1 1 18 LEU CA C 2.283 -0.843 2.392 1.00 . A A . 18 LEU CA 1 1 10 4140 1 1 18 LEU CB C 0.834 -1.267 2.665 1.00 . A A . 18 LEU CB 1 1 10 4141 1 1 18 LEU CD1 C -0.870 -2.595 3.923 1.00 . A A . 18 LEU CD1 1 1 10 4142 1 1 18 LEU CD2 C 1.332 -3.632 3.387 1.00 . A A . 18 LEU CD2 1 1 10 4143 1 1 18 LEU CG C 0.612 -2.340 3.739 1.00 . A A . 18 LEU CG 1 1 10 4144 1 1 18 LEU H H 2.353 -0.183 4.389 1.00 . A A . 18 LEU H 1 1 10 4145 1 1 18 LEU HA H 2.834 -1.696 2.029 1.00 . A A . 18 LEU HA 1 1 10 4146 1 1 18 LEU HB2 H 0.291 -0.384 2.970 1.00 . A A . 18 LEU HB2 1 1 10 4147 1 1 18 LEU HB3 H 0.408 -1.623 1.738 1.00 . A A . 18 LEU HB3 1 1 10 4148 1 1 18 LEU HD11 H -1.358 -1.683 4.237 1.00 . A A . 18 LEU HD11 1 1 10 4149 1 1 18 LEU HD12 H -1.013 -3.358 4.675 1.00 . A A . 18 LEU HD12 1 1 10 4150 1 1 18 LEU HD13 H -1.297 -2.927 2.989 1.00 . A A . 18 LEU HD13 1 1 10 4151 1 1 18 LEU HD21 H 0.972 -4.001 2.437 1.00 . A A . 18 LEU HD21 1 1 10 4152 1 1 18 LEU HD22 H 1.141 -4.369 4.153 1.00 . A A . 18 LEU HD22 1 1 10 4153 1 1 18 LEU HD23 H 2.394 -3.447 3.324 1.00 . A A . 18 LEU HD23 1 1 10 4154 1 1 18 LEU HG H 1.001 -1.975 4.678 1.00 . A A . 18 LEU HG 1 1 10 4155 1 1 18 LEU N N 2.915 -0.371 3.608 1.00 . A A . 18 LEU N 1 1 10 4156 1 1 18 LEU O O 2.308 1.446 1.653 1.00 . A A . 18 LEU O 1 1 10 4157 1 1 19 CYS C C 1.110 0.470 -1.900 1.00 . A A . 19 CYS C 1 1 10 4158 1 1 19 CYS CA C 2.320 0.717 -1.024 1.00 . A A . 19 CYS CA 1 1 10 4159 1 1 19 CYS CB C 3.610 0.507 -1.805 1.00 . A A . 19 CYS CB 1 1 10 4160 1 1 19 CYS H H 2.226 -1.128 -0.088 1.00 . A A . 19 CYS H 1 1 10 4161 1 1 19 CYS HA H 2.292 1.734 -0.657 1.00 . A A . 19 CYS HA 1 1 10 4162 1 1 19 CYS HB2 H 3.660 -0.519 -2.137 1.00 . A A . 19 CYS HB2 1 1 10 4163 1 1 19 CYS HB3 H 3.617 1.162 -2.663 1.00 . A A . 19 CYS HB3 1 1 10 4164 1 1 19 CYS N N 2.282 -0.165 0.103 1.00 . A A . 19 CYS N 1 1 10 4165 1 1 19 CYS O O 0.396 -0.534 -1.726 1.00 . A A . 19 CYS O 1 1 10 4166 1 1 19 CYS SG S 5.103 0.850 -0.829 1.00 . A A . 19 CYS SG 1 1 10 4167 1 1 20 CYS C C -0.011 0.600 -4.985 1.00 . A A . 20 CYS C 1 1 10 4168 1 1 20 CYS CA C -0.291 1.291 -3.649 1.00 . A A . 20 CYS CA 1 1 10 4169 1 1 20 CYS CB C -0.814 2.708 -3.887 1.00 . A A . 20 CYS CB 1 1 10 4170 1 1 20 CYS H H 1.526 2.081 -2.986 1.00 . A A . 20 CYS H 1 1 10 4171 1 1 20 CYS HA H -1.050 0.739 -3.118 1.00 . A A . 20 CYS HA 1 1 10 4172 1 1 20 CYS HB2 H -0.951 3.198 -2.933 1.00 . A A . 20 CYS HB2 1 1 10 4173 1 1 20 CYS HB3 H -0.086 3.258 -4.463 1.00 . A A . 20 CYS HB3 1 1 10 4174 1 1 20 CYS N N 0.880 1.349 -2.829 1.00 . A A . 20 CYS N 1 1 10 4175 1 1 20 CYS O O 0.860 1.029 -5.754 1.00 . A A . 20 CYS O 1 1 10 4176 1 1 20 CYS SG S -2.397 2.783 -4.772 1.00 . A A . 20 CYS SG 1 1 10 4177 1 1 21 VAL C C -2.117 -1.547 -6.910 1.00 . A A . 21 VAL C 1 1 10 4178 1 1 21 VAL CA C -0.676 -1.213 -6.504 1.00 . A A . 21 VAL CA 1 1 10 4179 1 1 21 VAL CB C 0.197 -2.523 -6.424 1.00 . A A . 21 VAL CB 1 1 10 4180 1 1 21 VAL CG1 C 1.675 -2.186 -6.292 1.00 . A A . 21 VAL CG1 1 1 10 4181 1 1 21 VAL CG2 C -0.229 -3.417 -5.261 1.00 . A A . 21 VAL CG2 1 1 10 4182 1 1 21 VAL H H -1.309 -0.838 -4.528 1.00 . A A . 21 VAL H 1 1 10 4183 1 1 21 VAL HA H -0.265 -0.540 -7.243 1.00 . A A . 21 VAL HA 1 1 10 4184 1 1 21 VAL HB H 0.063 -3.069 -7.346 1.00 . A A . 21 VAL HB 1 1 10 4185 1 1 21 VAL HG11 H 1.831 -1.604 -5.396 1.00 . A A . 21 VAL HG11 1 1 10 4186 1 1 21 VAL HG12 H 1.993 -1.616 -7.153 1.00 . A A . 21 VAL HG12 1 1 10 4187 1 1 21 VAL HG13 H 2.249 -3.099 -6.232 1.00 . A A . 21 VAL HG13 1 1 10 4188 1 1 21 VAL HG21 H -1.261 -3.709 -5.391 1.00 . A A . 21 VAL HG21 1 1 10 4189 1 1 21 VAL HG22 H -0.126 -2.874 -4.334 1.00 . A A . 21 VAL HG22 1 1 10 4190 1 1 21 VAL HG23 H 0.395 -4.299 -5.234 1.00 . A A . 21 VAL HG23 1 1 10 4191 1 1 21 VAL N N -0.719 -0.485 -5.233 1.00 . A A . 21 VAL N 1 1 10 4192 1 1 21 VAL O O -2.442 -2.653 -7.323 1.00 . A A . 21 VAL O 1 1 10 4193 1 1 22 GLY C C -5.045 -0.989 -5.674 1.00 . A A . 22 GLY C 1 1 10 4194 1 1 22 GLY CA C -4.396 -0.746 -7.002 1.00 . A A . 22 GLY CA 1 1 10 4195 1 1 22 GLY H H -2.643 0.330 -6.534 1.00 . A A . 22 GLY H 1 1 10 4196 1 1 22 GLY HA2 H -4.809 0.141 -7.458 1.00 . A A . 22 GLY HA2 1 1 10 4197 1 1 22 GLY HA3 H -4.561 -1.603 -7.638 1.00 . A A . 22 GLY HA3 1 1 10 4198 1 1 22 GLY N N -2.976 -0.559 -6.780 1.00 . A A . 22 GLY N 1 1 10 4199 1 1 22 GLY O O -6.039 -0.343 -5.296 1.00 . A A . 22 GLY O 1 1 10 4200 1 1 23 ILE C C -3.510 -2.041 -2.778 1.00 . A A . 23 ILE C 1 1 10 4201 1 1 23 ILE CA C -4.770 -2.210 -3.606 1.00 . A A . 23 ILE CA 1 1 10 4202 1 1 23 ILE CB C -5.309 -3.660 -3.454 1.00 . A A . 23 ILE CB 1 1 10 4203 1 1 23 ILE CD1 C -4.768 -6.125 -3.930 1.00 . A A . 23 ILE CD1 1 1 10 4204 1 1 23 ILE CG1 C -4.324 -4.683 -4.059 1.00 . A A . 23 ILE CG1 1 1 10 4205 1 1 23 ILE CG2 C -6.692 -3.784 -4.079 1.00 . A A . 23 ILE CG2 1 1 10 4206 1 1 23 ILE H H -3.694 -2.372 -5.380 1.00 . A A . 23 ILE H 1 1 10 4207 1 1 23 ILE HA H -5.511 -1.507 -3.260 1.00 . A A . 23 ILE HA 1 1 10 4208 1 1 23 ILE HB H -5.413 -3.857 -2.397 1.00 . A A . 23 ILE HB 1 1 10 4209 1 1 23 ILE HD11 H -4.856 -6.384 -2.886 1.00 . A A . 23 ILE HD11 1 1 10 4210 1 1 23 ILE HD12 H -4.040 -6.768 -4.401 1.00 . A A . 23 ILE HD12 1 1 10 4211 1 1 23 ILE HD13 H -5.725 -6.251 -4.413 1.00 . A A . 23 ILE HD13 1 1 10 4212 1 1 23 ILE HG12 H -4.201 -4.472 -5.111 1.00 . A A . 23 ILE HG12 1 1 10 4213 1 1 23 ILE HG13 H -3.369 -4.581 -3.567 1.00 . A A . 23 ILE HG13 1 1 10 4214 1 1 23 ILE HG21 H -7.049 -4.796 -3.963 1.00 . A A . 23 ILE HG21 1 1 10 4215 1 1 23 ILE HG22 H -6.626 -3.543 -5.129 1.00 . A A . 23 ILE HG22 1 1 10 4216 1 1 23 ILE HG23 H -7.373 -3.101 -3.593 1.00 . A A . 23 ILE HG23 1 1 10 4217 1 1 23 ILE N N -4.440 -1.892 -4.958 1.00 . A A . 23 ILE N 1 1 10 4218 1 1 23 ILE O O -2.400 -2.034 -3.332 1.00 . A A . 23 ILE O 1 1 10 4219 1 1 24 CYS C C -1.844 -3.060 -0.430 1.00 . A A . 24 CYS C 1 1 10 4220 1 1 24 CYS CA C -2.526 -1.720 -0.627 1.00 . A A . 24 CYS CA 1 1 10 4221 1 1 24 CYS CB C -2.950 -1.126 0.700 1.00 . A A . 24 CYS CB 1 1 10 4222 1 1 24 CYS H H -4.574 -1.773 -1.143 1.00 . A A . 24 CYS H 1 1 10 4223 1 1 24 CYS HA H -1.827 -1.048 -1.102 1.00 . A A . 24 CYS HA 1 1 10 4224 1 1 24 CYS HB2 H -3.689 -1.769 1.155 1.00 . A A . 24 CYS HB2 1 1 10 4225 1 1 24 CYS HB3 H -2.090 -1.058 1.350 1.00 . A A . 24 CYS HB3 1 1 10 4226 1 1 24 CYS N N -3.663 -1.854 -1.506 1.00 . A A . 24 CYS N 1 1 10 4227 1 1 24 CYS O O -2.488 -4.049 -0.031 1.00 . A A . 24 CYS O 1 1 10 4228 1 1 24 CYS SG S -3.659 0.536 0.536 1.00 . A A . 24 CYS SG 1 1 10 4229 1 1 25 ALA C C 1.661 -3.909 -0.333 1.00 . A A . 25 ALA C 1 1 10 4230 1 1 25 ALA CA C 0.234 -4.301 -0.636 1.00 . A A . 25 ALA CA 1 1 10 4231 1 1 25 ALA CB C 0.180 -5.090 -1.932 1.00 . A A . 25 ALA CB 1 1 10 4232 1 1 25 ALA H H -0.127 -2.289 -1.089 1.00 . A A . 25 ALA H 1 1 10 4233 1 1 25 ALA HA H -0.159 -4.910 0.164 1.00 . A A . 25 ALA HA 1 1 10 4234 1 1 25 ALA HB1 H 0.745 -6.004 -1.825 1.00 . A A . 25 ALA HB1 1 1 10 4235 1 1 25 ALA HB2 H 0.609 -4.496 -2.725 1.00 . A A . 25 ALA HB2 1 1 10 4236 1 1 25 ALA HB3 H -0.847 -5.321 -2.174 1.00 . A A . 25 ALA HB3 1 1 10 4237 1 1 25 ALA N N -0.568 -3.105 -0.752 1.00 . A A . 25 ALA N 1 1 10 4238 1 1 25 ALA O O 2.033 -2.761 -0.521 1.00 . A A . 25 ALA O 1 1 10 4239 1 1 26 LYS C C 4.679 -4.861 -0.782 1.00 . A A . 26 LYS C 1 1 10 4240 1 1 26 LYS CA C 3.828 -4.554 0.438 1.00 . A A . 26 LYS CA 1 1 10 4241 1 1 26 LYS CB C 4.289 -5.366 1.666 1.00 . A A . 26 LYS CB 1 1 10 4242 1 1 26 LYS CD C 6.080 -3.704 2.372 1.00 . A A . 26 LYS CD 1 1 10 4243 1 1 26 LYS CE C 7.532 -3.540 2.816 1.00 . A A . 26 LYS CE 1 1 10 4244 1 1 26 LYS CG C 5.752 -5.164 2.072 1.00 . A A . 26 LYS CG 1 1 10 4245 1 1 26 LYS H H 2.109 -5.747 0.255 1.00 . A A . 26 LYS H 1 1 10 4246 1 1 26 LYS HA H 3.904 -3.499 0.659 1.00 . A A . 26 LYS HA 1 1 10 4247 1 1 26 LYS HB2 H 3.670 -5.100 2.510 1.00 . A A . 26 LYS HB2 1 1 10 4248 1 1 26 LYS HB3 H 4.141 -6.414 1.449 1.00 . A A . 26 LYS HB3 1 1 10 4249 1 1 26 LYS HD2 H 5.922 -3.120 1.477 1.00 . A A . 26 LYS HD2 1 1 10 4250 1 1 26 LYS HD3 H 5.428 -3.350 3.155 1.00 . A A . 26 LYS HD3 1 1 10 4251 1 1 26 LYS HE2 H 7.740 -2.489 2.950 1.00 . A A . 26 LYS HE2 1 1 10 4252 1 1 26 LYS HE3 H 7.669 -4.054 3.756 1.00 . A A . 26 LYS HE3 1 1 10 4253 1 1 26 LYS HG2 H 5.955 -5.752 2.956 1.00 . A A . 26 LYS HG2 1 1 10 4254 1 1 26 LYS HG3 H 6.382 -5.506 1.264 1.00 . A A . 26 LYS HG3 1 1 10 4255 1 1 26 LYS HZ1 H 8.338 -5.109 1.699 1.00 . A A . 26 LYS HZ1 1 1 10 4256 1 1 26 LYS HZ2 H 9.475 -3.972 2.125 1.00 . A A . 26 LYS HZ2 1 1 10 4257 1 1 26 LYS HZ3 H 8.376 -3.643 0.894 1.00 . A A . 26 LYS HZ3 1 1 10 4258 1 1 26 LYS N N 2.448 -4.833 0.133 1.00 . A A . 26 LYS N 1 1 10 4259 1 1 26 LYS NZ N 8.485 -4.090 1.828 1.00 . A A . 26 LYS NZ 1 1 10 4260 1 1 26 LYS O O 4.724 -6.001 -1.251 1.00 . A A . 26 LYS O 1 1 10 4261 1 1 27 THR C C 7.579 -4.243 -2.011 1.00 . A A . 27 THR C 1 1 10 4262 1 1 27 THR CA C 6.144 -3.990 -2.458 1.00 . A A . 27 THR CA 1 1 10 4263 1 1 27 THR CB C 6.083 -2.697 -3.273 1.00 . A A . 27 THR CB 1 1 10 4264 1 1 27 THR CG2 C 4.743 -2.566 -3.984 1.00 . A A . 27 THR CG2 1 1 10 4265 1 1 27 THR H H 5.206 -2.948 -0.954 1.00 . A A . 27 THR H 1 1 10 4266 1 1 27 THR HA H 5.792 -4.804 -3.074 1.00 . A A . 27 THR HA 1 1 10 4267 1 1 27 THR HB H 6.882 -2.692 -3.997 1.00 . A A . 27 THR HB 1 1 10 4268 1 1 27 THR HG1 H 6.947 -1.007 -2.734 1.00 . A A . 27 THR HG1 1 1 10 4269 1 1 27 THR HG21 H 4.716 -1.640 -4.538 1.00 . A A . 27 THR HG21 1 1 10 4270 1 1 27 THR HG22 H 3.946 -2.575 -3.257 1.00 . A A . 27 THR HG22 1 1 10 4271 1 1 27 THR HG23 H 4.617 -3.395 -4.665 1.00 . A A . 27 THR HG23 1 1 10 4272 1 1 27 THR N N 5.295 -3.856 -1.315 1.00 . A A . 27 THR N 1 1 10 4273 1 1 27 THR O O 7.914 -4.033 -0.835 1.00 . A A . 27 THR O 1 1 10 4274 1 1 27 THR OG1 O 6.262 -1.593 -2.375 1.00 . A A . 27 THR OG1 1 1 10 4275 1 1 28 ILE C C 10.489 -3.550 -2.563 1.00 . A A . 28 ILE C 1 1 10 4276 1 1 28 ILE CA C 9.809 -4.911 -2.629 1.00 . A A . 28 ILE CA 1 1 10 4277 1 1 28 ILE CB C 10.492 -5.743 -3.743 1.00 . A A . 28 ILE CB 1 1 10 4278 1 1 28 ILE CD1 C 10.217 -7.814 -5.210 1.00 . A A . 28 ILE CD1 1 1 10 4279 1 1 28 ILE CG1 C 9.692 -7.016 -4.035 1.00 . A A . 28 ILE CG1 1 1 10 4280 1 1 28 ILE CG2 C 11.921 -6.100 -3.327 1.00 . A A . 28 ILE CG2 1 1 10 4281 1 1 28 ILE H H 8.073 -4.876 -3.823 1.00 . A A . 28 ILE H 1 1 10 4282 1 1 28 ILE HA H 9.901 -5.422 -1.682 1.00 . A A . 28 ILE HA 1 1 10 4283 1 1 28 ILE HB H 10.539 -5.140 -4.637 1.00 . A A . 28 ILE HB 1 1 10 4284 1 1 28 ILE HD11 H 10.166 -7.211 -6.106 1.00 . A A . 28 ILE HD11 1 1 10 4285 1 1 28 ILE HD12 H 9.621 -8.704 -5.339 1.00 . A A . 28 ILE HD12 1 1 10 4286 1 1 28 ILE HD13 H 11.244 -8.089 -5.022 1.00 . A A . 28 ILE HD13 1 1 10 4287 1 1 28 ILE HG12 H 9.713 -7.654 -3.165 1.00 . A A . 28 ILE HG12 1 1 10 4288 1 1 28 ILE HG13 H 8.669 -6.743 -4.248 1.00 . A A . 28 ILE HG13 1 1 10 4289 1 1 28 ILE HG21 H 12.386 -6.682 -4.109 1.00 . A A . 28 ILE HG21 1 1 10 4290 1 1 28 ILE HG22 H 11.898 -6.677 -2.415 1.00 . A A . 28 ILE HG22 1 1 10 4291 1 1 28 ILE HG23 H 12.487 -5.194 -3.165 1.00 . A A . 28 ILE HG23 1 1 10 4292 1 1 28 ILE N N 8.406 -4.692 -2.918 1.00 . A A . 28 ILE N 1 1 10 4293 1 1 28 ILE O O 11.317 -3.281 -1.683 1.00 . A A . 28 ILE O 1 1 10 4294 1 1 29 ALA C C 9.860 -0.434 -2.642 1.00 . A A . 29 ALA C 1 1 10 4295 1 1 29 ALA CA C 10.656 -1.358 -3.543 1.00 . A A . 29 ALA CA 1 1 10 4296 1 1 29 ALA CB C 10.653 -0.844 -4.965 1.00 . A A . 29 ALA CB 1 1 10 4297 1 1 29 ALA H H 9.432 -2.959 -4.135 1.00 . A A . 29 ALA H 1 1 10 4298 1 1 29 ALA HA H 11.676 -1.406 -3.193 1.00 . A A . 29 ALA HA 1 1 10 4299 1 1 29 ALA HB1 H 11.206 -1.525 -5.593 1.00 . A A . 29 ALA HB1 1 1 10 4300 1 1 29 ALA HB2 H 11.124 0.127 -4.987 1.00 . A A . 29 ALA HB2 1 1 10 4301 1 1 29 ALA HB3 H 9.636 -0.764 -5.318 1.00 . A A . 29 ALA HB3 1 1 10 4302 1 1 29 ALA N N 10.112 -2.690 -3.481 1.00 . A A . 29 ALA N 1 1 10 4303 1 1 29 ALA O O 8.626 -0.388 -2.730 1.00 . A A . 29 ALA O 1 1 10 4304 1 1 30 PRO C C 9.311 2.419 -1.510 1.00 . A A . 30 PRO C 1 1 10 4305 1 1 30 PRO CA C 9.882 1.189 -0.822 1.00 . A A . 30 PRO CA 1 1 10 4306 1 1 30 PRO CB C 10.986 1.581 0.155 1.00 . A A . 30 PRO CB 1 1 10 4307 1 1 30 PRO CD C 11.996 0.252 -1.557 1.00 . A A . 30 PRO CD 1 1 10 4308 1 1 30 PRO CG C 12.257 1.360 -0.583 1.00 . A A . 30 PRO CG 1 1 10 4309 1 1 30 PRO HA H 9.088 0.690 -0.288 1.00 . A A . 30 PRO HA 1 1 10 4310 1 1 30 PRO HB2 H 10.865 2.615 0.442 1.00 . A A . 30 PRO HB2 1 1 10 4311 1 1 30 PRO HB3 H 10.925 0.949 1.029 1.00 . A A . 30 PRO HB3 1 1 10 4312 1 1 30 PRO HD2 H 12.504 0.447 -2.488 1.00 . A A . 30 PRO HD2 1 1 10 4313 1 1 30 PRO HD3 H 12.308 -0.702 -1.161 1.00 . A A . 30 PRO HD3 1 1 10 4314 1 1 30 PRO HG2 H 12.538 2.261 -1.107 1.00 . A A . 30 PRO HG2 1 1 10 4315 1 1 30 PRO HG3 H 13.035 1.074 0.109 1.00 . A A . 30 PRO HG3 1 1 10 4316 1 1 30 PRO N N 10.535 0.283 -1.748 1.00 . A A . 30 PRO N 1 1 10 4317 1 1 30 PRO O O 10.020 3.141 -2.241 1.00 . A A . 30 PRO O 1 1 10 4318 1 1 31 CYS C C 7.496 4.938 -0.849 1.00 . A A . 31 CYS C 1 1 10 4319 1 1 31 CYS CA C 7.374 3.798 -1.841 1.00 . A A . 31 CYS CA 1 1 10 4320 1 1 31 CYS CB C 5.912 3.470 -2.092 1.00 . A A . 31 CYS CB 1 1 10 4321 1 1 31 CYS H H 7.513 1.997 -0.784 1.00 . A A . 31 CYS H 1 1 10 4322 1 1 31 CYS HA H 7.846 4.077 -2.771 1.00 . A A . 31 CYS HA 1 1 10 4323 1 1 31 CYS HB2 H 5.399 4.358 -2.429 1.00 . A A . 31 CYS HB2 1 1 10 4324 1 1 31 CYS HB3 H 5.842 2.706 -2.853 1.00 . A A . 31 CYS HB3 1 1 10 4325 1 1 31 CYS N N 8.044 2.640 -1.306 1.00 . A A . 31 CYS N 1 1 10 4326 1 1 31 CYS O O 7.517 6.107 -1.218 1.00 . A A . 31 CYS O 1 1 10 4327 1 1 31 CYS SG S 5.052 2.854 -0.608 1.00 . A A . 31 CYS SG 1 1 10 4328 1 1 32 LYS C C 9.198 5.602 1.836 1.00 . A A . 32 LYS C 1 1 10 4329 1 1 32 LYS CA C 7.734 5.531 1.461 1.00 . A A . 32 LYS CA 1 1 10 4330 1 1 32 LYS CB C 6.884 5.113 2.671 1.00 . A A . 32 LYS CB 1 1 10 4331 1 1 32 LYS CD C 4.618 4.505 3.574 1.00 . A A . 32 LYS CD 1 1 10 4332 1 1 32 LYS CE C 3.172 4.212 3.212 1.00 . A A . 32 LYS CE 1 1 10 4333 1 1 32 LYS CG C 5.417 4.885 2.343 1.00 . A A . 32 LYS CG 1 1 10 4334 1 1 32 LYS H H 7.593 3.627 0.636 1.00 . A A . 32 LYS H 1 1 10 4335 1 1 32 LYS HA H 7.404 6.494 1.103 1.00 . A A . 32 LYS HA 1 1 10 4336 1 1 32 LYS HB2 H 7.284 4.197 3.079 1.00 . A A . 32 LYS HB2 1 1 10 4337 1 1 32 LYS HB3 H 6.945 5.886 3.421 1.00 . A A . 32 LYS HB3 1 1 10 4338 1 1 32 LYS HD2 H 5.056 3.621 4.016 1.00 . A A . 32 LYS HD2 1 1 10 4339 1 1 32 LYS HD3 H 4.651 5.319 4.283 1.00 . A A . 32 LYS HD3 1 1 10 4340 1 1 32 LYS HE2 H 2.784 5.041 2.640 1.00 . A A . 32 LYS HE2 1 1 10 4341 1 1 32 LYS HE3 H 3.145 3.321 2.602 1.00 . A A . 32 LYS HE3 1 1 10 4342 1 1 32 LYS HG2 H 5.007 5.793 1.927 1.00 . A A . 32 LYS HG2 1 1 10 4343 1 1 32 LYS HG3 H 5.342 4.091 1.613 1.00 . A A . 32 LYS HG3 1 1 10 4344 1 1 32 LYS HZ1 H 2.660 3.234 5.015 1.00 . A A . 32 LYS HZ1 1 1 10 4345 1 1 32 LYS HZ2 H 1.338 3.785 4.149 1.00 . A A . 32 LYS HZ2 1 1 10 4346 1 1 32 LYS HZ3 H 2.285 4.866 4.990 1.00 . A A . 32 LYS HZ3 1 1 10 4347 1 1 32 LYS N N 7.598 4.580 0.407 1.00 . A A . 32 LYS N 1 1 10 4348 1 1 32 LYS NZ N 2.323 4.007 4.404 1.00 . A A . 32 LYS NZ 1 1 10 4349 1 1 32 LYS O O 9.668 4.724 2.592 1.00 . A A . 32 LYS O 1 1 10 4350 1 1 32 LYS OXT O 9.903 6.503 1.353 1.00 . A A . 32 LYS OXT 1 1 11 4351 1 1 1 CYS C C -6.089 2.790 5.701 1.00 . A A . 1 CYS C 1 1 11 4352 1 1 1 CYS CA C -5.587 4.113 6.222 1.00 . A A . 1 CYS CA 1 1 11 4353 1 1 1 CYS CB C -4.131 3.988 6.692 1.00 . A A . 1 CYS CB 1 1 11 4354 1 1 1 CYS H1 H -6.134 5.448 7.718 1.00 . A A . 1 CYS H1 1 1 11 4355 1 1 1 CYS H2 H -6.381 3.821 8.080 1.00 . A A . 1 CYS H2 1 1 11 4356 1 1 1 CYS H3 H -7.419 4.589 7.019 1.00 . A A . 1 CYS H3 1 1 11 4357 1 1 1 CYS HA H -5.646 4.853 5.439 1.00 . A A . 1 CYS HA 1 1 11 4358 1 1 1 CYS HB2 H -3.527 3.629 5.872 1.00 . A A . 1 CYS HB2 1 1 11 4359 1 1 1 CYS HB3 H -3.773 4.962 6.993 1.00 . A A . 1 CYS HB3 1 1 11 4360 1 1 1 CYS N N -6.428 4.533 7.324 1.00 . A A . 1 CYS N 1 1 11 4361 1 1 1 CYS O O -6.713 2.031 6.449 1.00 . A A . 1 CYS O 1 1 11 4362 1 1 1 CYS SG S -3.878 2.842 8.099 1.00 . A A . 1 CYS SG 1 1 11 4363 1 1 2 ALA C C -5.211 0.221 4.103 1.00 . A A . 2 ALA C 1 1 11 4364 1 1 2 ALA CA C -6.256 1.283 3.836 1.00 . A A . 2 ALA CA 1 1 11 4365 1 1 2 ALA CB C -6.454 1.471 2.346 1.00 . A A . 2 ALA CB 1 1 11 4366 1 1 2 ALA H H -5.380 3.176 3.873 1.00 . A A . 2 ALA H 1 1 11 4367 1 1 2 ALA HA H -7.195 0.980 4.274 1.00 . A A . 2 ALA HA 1 1 11 4368 1 1 2 ALA HB1 H -6.797 0.549 1.902 1.00 . A A . 2 ALA HB1 1 1 11 4369 1 1 2 ALA HB2 H -5.517 1.759 1.894 1.00 . A A . 2 ALA HB2 1 1 11 4370 1 1 2 ALA HB3 H -7.187 2.246 2.176 1.00 . A A . 2 ALA HB3 1 1 11 4371 1 1 2 ALA N N -5.853 2.521 4.439 1.00 . A A . 2 ALA N 1 1 11 4372 1 1 2 ALA O O -3.997 0.482 4.006 1.00 . A A . 2 ALA O 1 1 11 4373 1 1 3 VAL C C -4.499 -2.833 3.474 1.00 . A A . 3 VAL C 1 1 11 4374 1 1 3 VAL CA C -4.765 -2.046 4.747 1.00 . A A . 3 VAL CA 1 1 11 4375 1 1 3 VAL CB C -5.341 -2.995 5.826 1.00 . A A . 3 VAL CB 1 1 11 4376 1 1 3 VAL CG1 C -5.545 -2.257 7.137 1.00 . A A . 3 VAL CG1 1 1 11 4377 1 1 3 VAL CG2 C -6.640 -3.645 5.349 1.00 . A A . 3 VAL CG2 1 1 11 4378 1 1 3 VAL H H -6.634 -1.075 4.531 1.00 . A A . 3 VAL H 1 1 11 4379 1 1 3 VAL HA H -3.832 -1.636 5.105 1.00 . A A . 3 VAL HA 1 1 11 4380 1 1 3 VAL HB H -4.614 -3.774 6.001 1.00 . A A . 3 VAL HB 1 1 11 4381 1 1 3 VAL HG11 H -6.217 -1.428 6.979 1.00 . A A . 3 VAL HG11 1 1 11 4382 1 1 3 VAL HG12 H -4.595 -1.887 7.496 1.00 . A A . 3 VAL HG12 1 1 11 4383 1 1 3 VAL HG13 H -5.969 -2.930 7.867 1.00 . A A . 3 VAL HG13 1 1 11 4384 1 1 3 VAL HG21 H -7.034 -4.298 6.114 1.00 . A A . 3 VAL HG21 1 1 11 4385 1 1 3 VAL HG22 H -6.440 -4.213 4.452 1.00 . A A . 3 VAL HG22 1 1 11 4386 1 1 3 VAL HG23 H -7.359 -2.874 5.115 1.00 . A A . 3 VAL HG23 1 1 11 4387 1 1 3 VAL N N -5.658 -0.943 4.467 1.00 . A A . 3 VAL N 1 1 11 4388 1 1 3 VAL O O -4.952 -2.442 2.391 1.00 . A A . 3 VAL O 1 1 11 4389 1 1 4 THR C C -4.824 -5.334 1.937 1.00 . A A . 4 THR C 1 1 11 4390 1 1 4 THR CA C -3.504 -4.758 2.462 1.00 . A A . 4 THR CA 1 1 11 4391 1 1 4 THR CB C -2.531 -5.903 2.823 1.00 . A A . 4 THR CB 1 1 11 4392 1 1 4 THR CG2 C -2.172 -6.717 1.588 1.00 . A A . 4 THR CG2 1 1 11 4393 1 1 4 THR H H -3.420 -4.181 4.470 1.00 . A A . 4 THR H 1 1 11 4394 1 1 4 THR HA H -3.059 -4.144 1.692 1.00 . A A . 4 THR HA 1 1 11 4395 1 1 4 THR HB H -3.005 -6.547 3.548 1.00 . A A . 4 THR HB 1 1 11 4396 1 1 4 THR HG1 H -1.512 -5.099 4.294 1.00 . A A . 4 THR HG1 1 1 11 4397 1 1 4 THR HG21 H -1.747 -6.067 0.839 1.00 . A A . 4 THR HG21 1 1 11 4398 1 1 4 THR HG22 H -3.061 -7.188 1.195 1.00 . A A . 4 THR HG22 1 1 11 4399 1 1 4 THR HG23 H -1.450 -7.471 1.859 1.00 . A A . 4 THR HG23 1 1 11 4400 1 1 4 THR N N -3.771 -3.921 3.592 1.00 . A A . 4 THR N 1 1 11 4401 1 1 4 THR O O -5.685 -5.732 2.727 1.00 . A A . 4 THR O 1 1 11 4402 1 1 4 THR OG1 O -1.324 -5.353 3.383 1.00 . A A . 4 THR OG1 1 1 11 4403 1 1 5 HIS C C -7.260 -4.794 -0.279 1.00 . A A . 5 HIS C 1 1 11 4404 1 1 5 HIS CA C -6.152 -5.822 -0.116 1.00 . A A . 5 HIS CA 1 1 11 4405 1 1 5 HIS CB C -6.672 -7.191 0.392 1.00 . A A . 5 HIS CB 1 1 11 4406 1 1 5 HIS CD2 C -4.983 -8.724 -0.810 1.00 . A A . 5 HIS CD2 1 1 11 4407 1 1 5 HIS CE1 C -4.360 -9.961 0.850 1.00 . A A . 5 HIS CE1 1 1 11 4408 1 1 5 HIS CG C -5.666 -8.295 0.271 1.00 . A A . 5 HIS CG 1 1 11 4409 1 1 5 HIS H H -4.260 -4.876 0.098 1.00 . A A . 5 HIS H 1 1 11 4410 1 1 5 HIS HA H -5.776 -5.960 -1.120 1.00 . A A . 5 HIS HA 1 1 11 4411 1 1 5 HIS HB2 H -6.939 -7.103 1.435 1.00 . A A . 5 HIS HB2 1 1 11 4412 1 1 5 HIS HB3 H -7.548 -7.468 -0.176 1.00 . A A . 5 HIS HB3 1 1 11 4413 1 1 5 HIS HD1 H -5.577 -9.065 2.246 1.00 . A A . 5 HIS HD1 1 1 11 4414 1 1 5 HIS HD2 H -5.059 -8.318 -1.808 1.00 . A A . 5 HIS HD2 1 1 11 4415 1 1 5 HIS HE1 H -3.865 -10.713 1.446 1.00 . A A . 5 HIS HE1 1 1 11 4416 1 1 5 HIS N N -4.981 -5.302 0.615 1.00 . A A . 5 HIS N 1 1 11 4417 1 1 5 HIS ND1 N -5.259 -9.096 1.318 1.00 . A A . 5 HIS ND1 1 1 11 4418 1 1 5 HIS NE2 N -4.155 -9.776 -0.443 1.00 . A A . 5 HIS NE2 1 1 11 4419 1 1 5 HIS O O -8.184 -4.990 -1.089 1.00 . A A . 5 HIS O 1 1 11 4420 1 1 6 GLU C C -7.580 -1.774 -0.911 1.00 . A A . 6 GLU C 1 1 11 4421 1 1 6 GLU CA C -8.089 -2.601 0.255 1.00 . A A . 6 GLU CA 1 1 11 4422 1 1 6 GLU CB C -8.220 -1.710 1.505 1.00 . A A . 6 GLU CB 1 1 11 4423 1 1 6 GLU CD C -9.262 -1.303 3.747 1.00 . A A . 6 GLU CD 1 1 11 4424 1 1 6 GLU CG C -8.945 -2.331 2.679 1.00 . A A . 6 GLU CG 1 1 11 4425 1 1 6 GLU H H -6.472 -3.619 1.134 1.00 . A A . 6 GLU H 1 1 11 4426 1 1 6 GLU HA H -9.052 -3.016 -0.004 1.00 . A A . 6 GLU HA 1 1 11 4427 1 1 6 GLU HB2 H -7.224 -1.498 1.866 1.00 . A A . 6 GLU HB2 1 1 11 4428 1 1 6 GLU HB3 H -8.716 -0.788 1.240 1.00 . A A . 6 GLU HB3 1 1 11 4429 1 1 6 GLU HG2 H -9.870 -2.764 2.327 1.00 . A A . 6 GLU HG2 1 1 11 4430 1 1 6 GLU HG3 H -8.326 -3.103 3.110 1.00 . A A . 6 GLU HG3 1 1 11 4431 1 1 6 GLU N N -7.174 -3.701 0.454 1.00 . A A . 6 GLU N 1 1 11 4432 1 1 6 GLU O O -6.369 -1.726 -1.142 1.00 . A A . 6 GLU O 1 1 11 4433 1 1 6 GLU OE1 O -8.450 -1.087 4.678 1.00 . A A . 6 GLU OE1 1 1 11 4434 1 1 6 GLU OE2 O -10.346 -0.676 3.676 1.00 . A A . 6 GLU OE2 1 1 11 4435 1 1 7 LYS C C -7.321 0.896 -2.320 1.00 . A A . 7 LYS C 1 1 11 4436 1 1 7 LYS CA C -8.083 -0.339 -2.800 1.00 . A A . 7 LYS CA 1 1 11 4437 1 1 7 LYS CB C -9.297 0.048 -3.657 1.00 . A A . 7 LYS CB 1 1 11 4438 1 1 7 LYS CD C -11.581 1.108 -3.808 1.00 . A A . 7 LYS CD 1 1 11 4439 1 1 7 LYS CE C -11.264 2.006 -5.000 1.00 . A A . 7 LYS CE 1 1 11 4440 1 1 7 LYS CG C -10.374 0.836 -2.923 1.00 . A A . 7 LYS CG 1 1 11 4441 1 1 7 LYS H H -9.426 -1.255 -1.421 1.00 . A A . 7 LYS H 1 1 11 4442 1 1 7 LYS HA H -7.408 -0.939 -3.392 1.00 . A A . 7 LYS HA 1 1 11 4443 1 1 7 LYS HB2 H -8.945 0.649 -4.482 1.00 . A A . 7 LYS HB2 1 1 11 4444 1 1 7 LYS HB3 H -9.743 -0.853 -4.052 1.00 . A A . 7 LYS HB3 1 1 11 4445 1 1 7 LYS HD2 H -11.960 0.169 -4.181 1.00 . A A . 7 LYS HD2 1 1 11 4446 1 1 7 LYS HD3 H -12.340 1.582 -3.204 1.00 . A A . 7 LYS HD3 1 1 11 4447 1 1 7 LYS HE2 H -10.443 1.576 -5.552 1.00 . A A . 7 LYS HE2 1 1 11 4448 1 1 7 LYS HE3 H -12.135 2.047 -5.636 1.00 . A A . 7 LYS HE3 1 1 11 4449 1 1 7 LYS HG2 H -10.695 0.268 -2.062 1.00 . A A . 7 LYS HG2 1 1 11 4450 1 1 7 LYS HG3 H -9.957 1.774 -2.591 1.00 . A A . 7 LYS HG3 1 1 11 4451 1 1 7 LYS HZ1 H -11.626 3.824 -4.016 1.00 . A A . 7 LYS HZ1 1 1 11 4452 1 1 7 LYS HZ2 H -10.759 3.976 -5.439 1.00 . A A . 7 LYS HZ2 1 1 11 4453 1 1 7 LYS HZ3 H -9.996 3.399 -4.078 1.00 . A A . 7 LYS HZ3 1 1 11 4454 1 1 7 LYS N N -8.478 -1.162 -1.659 1.00 . A A . 7 LYS N 1 1 11 4455 1 1 7 LYS NZ N -10.893 3.375 -4.601 1.00 . A A . 7 LYS NZ 1 1 11 4456 1 1 7 LYS O O -7.543 1.370 -1.198 1.00 . A A . 7 LYS O 1 1 11 4457 1 1 8 CYS C C -5.846 3.762 -3.539 1.00 . A A . 8 CYS C 1 1 11 4458 1 1 8 CYS CA C -5.615 2.515 -2.709 1.00 . A A . 8 CYS CA 1 1 11 4459 1 1 8 CYS CB C -4.141 2.123 -2.759 1.00 . A A . 8 CYS CB 1 1 11 4460 1 1 8 CYS H H -6.324 1.056 -4.046 1.00 . A A . 8 CYS H 1 1 11 4461 1 1 8 CYS HA H -5.863 2.733 -1.681 1.00 . A A . 8 CYS HA 1 1 11 4462 1 1 8 CYS HB2 H -3.542 2.974 -2.470 1.00 . A A . 8 CYS HB2 1 1 11 4463 1 1 8 CYS HB3 H -3.968 1.317 -2.060 1.00 . A A . 8 CYS HB3 1 1 11 4464 1 1 8 CYS N N -6.441 1.408 -3.136 1.00 . A A . 8 CYS N 1 1 11 4465 1 1 8 CYS O O -6.125 3.691 -4.749 1.00 . A A . 8 CYS O 1 1 11 4466 1 1 8 CYS SG S -3.558 1.575 -4.397 1.00 . A A . 8 CYS SG 1 1 11 4467 1 1 9 SER C C -4.461 6.609 -3.940 1.00 . A A . 9 SER C 1 1 11 4468 1 1 9 SER CA C -5.878 6.149 -3.571 1.00 . A A . 9 SER CA 1 1 11 4469 1 1 9 SER CB C -6.544 7.158 -2.648 1.00 . A A . 9 SER CB 1 1 11 4470 1 1 9 SER H H -5.719 4.880 -1.907 1.00 . A A . 9 SER H 1 1 11 4471 1 1 9 SER HA H -6.473 6.023 -4.463 1.00 . A A . 9 SER HA 1 1 11 4472 1 1 9 SER HB2 H -5.845 7.451 -1.877 1.00 . A A . 9 SER HB2 1 1 11 4473 1 1 9 SER HB3 H -6.847 8.023 -3.218 1.00 . A A . 9 SER HB3 1 1 11 4474 1 1 9 SER HG H -7.352 5.993 -1.345 1.00 . A A . 9 SER HG 1 1 11 4475 1 1 9 SER N N -5.783 4.892 -2.892 1.00 . A A . 9 SER N 1 1 11 4476 1 1 9 SER O O -4.198 7.061 -5.070 1.00 . A A . 9 SER O 1 1 11 4477 1 1 9 SER OG O -7.695 6.587 -2.031 1.00 . A A . 9 SER OG 1 1 11 4478 1 1 10 ASP C C -1.388 6.014 -2.099 1.00 . A A . 10 ASP C 1 1 11 4479 1 1 10 ASP CA C -2.161 6.820 -3.127 1.00 . A A . 10 ASP CA 1 1 11 4480 1 1 10 ASP CB C -1.954 8.329 -2.892 1.00 . A A . 10 ASP CB 1 1 11 4481 1 1 10 ASP CG C -2.236 8.766 -1.472 1.00 . A A . 10 ASP CG 1 1 11 4482 1 1 10 ASP H H -3.800 6.045 -2.133 1.00 . A A . 10 ASP H 1 1 11 4483 1 1 10 ASP HA H -1.831 6.545 -4.118 1.00 . A A . 10 ASP HA 1 1 11 4484 1 1 10 ASP HB2 H -0.928 8.576 -3.116 1.00 . A A . 10 ASP HB2 1 1 11 4485 1 1 10 ASP HB3 H -2.602 8.881 -3.558 1.00 . A A . 10 ASP HB3 1 1 11 4486 1 1 10 ASP N N -3.555 6.450 -2.993 1.00 . A A . 10 ASP N 1 1 11 4487 1 1 10 ASP O O -1.999 5.268 -1.332 1.00 . A A . 10 ASP O 1 1 11 4488 1 1 10 ASP OD1 O -3.408 9.043 -1.138 1.00 . A A . 10 ASP OD1 1 1 11 4489 1 1 10 ASP OD2 O -1.291 8.858 -0.679 1.00 . A A . 10 ASP OD2 1 1 11 4490 1 1 11 ASP C C 0.509 5.685 0.305 1.00 . A A . 11 ASP C 1 1 11 4491 1 1 11 ASP CA C 0.756 5.352 -1.148 1.00 . A A . 11 ASP CA 1 1 11 4492 1 1 11 ASP CB C 2.260 5.472 -1.454 1.00 . A A . 11 ASP CB 1 1 11 4493 1 1 11 ASP CG C 2.649 4.918 -2.803 1.00 . A A . 11 ASP CG 1 1 11 4494 1 1 11 ASP H H 0.343 6.838 -2.629 1.00 . A A . 11 ASP H 1 1 11 4495 1 1 11 ASP HA H 0.461 4.323 -1.299 1.00 . A A . 11 ASP HA 1 1 11 4496 1 1 11 ASP HB2 H 2.542 6.514 -1.427 1.00 . A A . 11 ASP HB2 1 1 11 4497 1 1 11 ASP HB3 H 2.814 4.941 -0.693 1.00 . A A . 11 ASP HB3 1 1 11 4498 1 1 11 ASP N N -0.078 6.163 -2.053 1.00 . A A . 11 ASP N 1 1 11 4499 1 1 11 ASP O O 0.504 4.799 1.161 1.00 . A A . 11 ASP O 1 1 11 4500 1 1 11 ASP OD1 O 2.613 3.701 -2.996 1.00 . A A . 11 ASP OD1 1 1 11 4501 1 1 11 ASP OD2 O 3.011 5.709 -3.705 1.00 . A A . 11 ASP OD2 1 1 11 4502 1 1 12 TYR C C -1.349 7.085 2.436 1.00 . A A . 12 TYR C 1 1 11 4503 1 1 12 TYR CA C 0.055 7.386 1.963 1.00 . A A . 12 TYR CA 1 1 11 4504 1 1 12 TYR CB C 0.375 8.869 2.104 1.00 . A A . 12 TYR CB 1 1 11 4505 1 1 12 TYR CD1 C 2.148 9.647 0.484 1.00 . A A . 12 TYR CD1 1 1 11 4506 1 1 12 TYR CD2 C 2.812 9.091 2.705 1.00 . A A . 12 TYR CD2 1 1 11 4507 1 1 12 TYR CE1 C 3.455 9.949 0.167 1.00 . A A . 12 TYR CE1 1 1 11 4508 1 1 12 TYR CE2 C 4.119 9.394 2.395 1.00 . A A . 12 TYR CE2 1 1 11 4509 1 1 12 TYR CG C 1.804 9.212 1.759 1.00 . A A . 12 TYR CG 1 1 11 4510 1 1 12 TYR CZ C 4.436 9.820 1.127 1.00 . A A . 12 TYR CZ 1 1 11 4511 1 1 12 TYR H H 0.096 7.601 -0.128 1.00 . A A . 12 TYR H 1 1 11 4512 1 1 12 TYR HA H 0.746 6.818 2.569 1.00 . A A . 12 TYR HA 1 1 11 4513 1 1 12 TYR HB2 H -0.273 9.433 1.449 1.00 . A A . 12 TYR HB2 1 1 11 4514 1 1 12 TYR HB3 H 0.195 9.168 3.126 1.00 . A A . 12 TYR HB3 1 1 11 4515 1 1 12 TYR HD1 H 1.377 9.746 -0.263 1.00 . A A . 12 TYR HD1 1 1 11 4516 1 1 12 TYR HD2 H 2.561 8.754 3.699 1.00 . A A . 12 TYR HD2 1 1 11 4517 1 1 12 TYR HE1 H 3.706 10.285 -0.828 1.00 . A A . 12 TYR HE1 1 1 11 4518 1 1 12 TYR HE2 H 4.889 9.294 3.146 1.00 . A A . 12 TYR HE2 1 1 11 4519 1 1 12 TYR HH H 6.307 9.443 1.211 1.00 . A A . 12 TYR HH 1 1 11 4520 1 1 12 TYR N N 0.236 6.938 0.590 1.00 . A A . 12 TYR N 1 1 11 4521 1 1 12 TYR O O -1.685 7.244 3.618 1.00 . A A . 12 TYR O 1 1 11 4522 1 1 12 TYR OH O 5.744 10.122 0.814 1.00 . A A . 12 TYR OH 1 1 11 4523 1 1 13 ASP C C -3.476 4.815 2.408 1.00 . A A . 13 ASP C 1 1 11 4524 1 1 13 ASP CA C -3.517 6.212 1.803 1.00 . A A . 13 ASP CA 1 1 11 4525 1 1 13 ASP CB C -4.349 6.252 0.517 1.00 . A A . 13 ASP CB 1 1 11 4526 1 1 13 ASP CG C -5.783 5.818 0.677 1.00 . A A . 13 ASP CG 1 1 11 4527 1 1 13 ASP H H -1.841 6.594 0.587 1.00 . A A . 13 ASP H 1 1 11 4528 1 1 13 ASP HA H -3.933 6.896 2.526 1.00 . A A . 13 ASP HA 1 1 11 4529 1 1 13 ASP HB2 H -4.353 7.262 0.134 1.00 . A A . 13 ASP HB2 1 1 11 4530 1 1 13 ASP HB3 H -3.877 5.612 -0.213 1.00 . A A . 13 ASP HB3 1 1 11 4531 1 1 13 ASP N N -2.165 6.635 1.513 1.00 . A A . 13 ASP N 1 1 11 4532 1 1 13 ASP O O -4.372 4.401 3.134 1.00 . A A . 13 ASP O 1 1 11 4533 1 1 13 ASP OD1 O -6.268 5.047 -0.177 1.00 . A A . 13 ASP OD1 1 1 11 4534 1 1 13 ASP OD2 O -6.463 6.265 1.625 1.00 . A A . 13 ASP OD2 1 1 11 4535 1 1 14 CYS C C -1.434 2.852 4.006 1.00 . A A . 14 CYS C 1 1 11 4536 1 1 14 CYS CA C -2.153 2.799 2.661 1.00 . A A . 14 CYS CA 1 1 11 4537 1 1 14 CYS CB C -1.322 2.020 1.658 1.00 . A A . 14 CYS CB 1 1 11 4538 1 1 14 CYS H H -1.680 4.553 1.618 1.00 . A A . 14 CYS H 1 1 11 4539 1 1 14 CYS HA H -3.108 2.309 2.780 1.00 . A A . 14 CYS HA 1 1 11 4540 1 1 14 CYS HB2 H -0.343 2.471 1.577 1.00 . A A . 14 CYS HB2 1 1 11 4541 1 1 14 CYS HB3 H -1.223 1.004 2.011 1.00 . A A . 14 CYS HB3 1 1 11 4542 1 1 14 CYS N N -2.380 4.134 2.161 1.00 . A A . 14 CYS N 1 1 11 4543 1 1 14 CYS O O -0.596 3.736 4.235 1.00 . A A . 14 CYS O 1 1 11 4544 1 1 14 CYS SG S -2.054 1.964 -0.003 1.00 . A A . 14 CYS SG 1 1 11 4545 1 1 15 CYS C C 0.291 1.497 6.204 1.00 . A A . 15 CYS C 1 1 11 4546 1 1 15 CYS CA C -1.200 1.835 6.227 1.00 . A A . 15 CYS CA 1 1 11 4547 1 1 15 CYS CB C -1.924 0.759 7.035 1.00 . A A . 15 CYS CB 1 1 11 4548 1 1 15 CYS H H -2.466 1.271 4.625 1.00 . A A . 15 CYS H 1 1 11 4549 1 1 15 CYS HA H -1.349 2.781 6.722 1.00 . A A . 15 CYS HA 1 1 11 4550 1 1 15 CYS HB2 H -1.789 -0.195 6.546 1.00 . A A . 15 CYS HB2 1 1 11 4551 1 1 15 CYS HB3 H -1.482 0.712 8.019 1.00 . A A . 15 CYS HB3 1 1 11 4552 1 1 15 CYS N N -1.776 1.926 4.882 1.00 . A A . 15 CYS N 1 1 11 4553 1 1 15 CYS O O 0.757 0.766 5.324 1.00 . A A . 15 CYS O 1 1 11 4554 1 1 15 CYS SG S -3.716 1.014 7.237 1.00 . A A . 15 CYS SG 1 1 11 4555 1 1 16 GLY C C 3.275 1.933 6.140 1.00 . A A . 16 GLY C 1 1 11 4556 1 1 16 GLY CA C 2.423 1.760 7.369 1.00 . A A . 16 GLY CA 1 1 11 4557 1 1 16 GLY H H 0.593 2.729 7.735 1.00 . A A . 16 GLY H 1 1 11 4558 1 1 16 GLY HA2 H 2.800 2.417 8.139 1.00 . A A . 16 GLY HA2 1 1 11 4559 1 1 16 GLY HA3 H 2.508 0.742 7.717 1.00 . A A . 16 GLY HA3 1 1 11 4560 1 1 16 GLY N N 1.020 2.060 7.158 1.00 . A A . 16 GLY N 1 1 11 4561 1 1 16 GLY O O 3.179 2.944 5.449 1.00 . A A . 16 GLY O 1 1 11 4562 1 1 17 SER C C 4.384 0.338 3.456 1.00 . A A . 17 SER C 1 1 11 4563 1 1 17 SER CA C 4.972 0.966 4.727 1.00 . A A . 17 SER CA 1 1 11 4564 1 1 17 SER CB C 6.281 0.299 5.138 1.00 . A A . 17 SER CB 1 1 11 4565 1 1 17 SER H H 4.036 0.099 6.368 1.00 . A A . 17 SER H 1 1 11 4566 1 1 17 SER HA H 5.178 2.007 4.528 1.00 . A A . 17 SER HA 1 1 11 4567 1 1 17 SER HB2 H 6.863 0.087 4.255 1.00 . A A . 17 SER HB2 1 1 11 4568 1 1 17 SER HB3 H 6.837 0.960 5.786 1.00 . A A . 17 SER HB3 1 1 11 4569 1 1 17 SER HG H 6.850 -1.064 6.344 1.00 . A A . 17 SER HG 1 1 11 4570 1 1 17 SER N N 4.055 0.924 5.835 1.00 . A A . 17 SER N 1 1 11 4571 1 1 17 SER O O 5.103 0.121 2.464 1.00 . A A . 17 SER O 1 1 11 4572 1 1 17 SER OG O 6.043 -0.927 5.828 1.00 . A A . 17 SER OG 1 1 11 4573 1 1 18 LEU C C 2.347 0.561 1.215 1.00 . A A . 18 LEU C 1 1 11 4574 1 1 18 LEU CA C 2.397 -0.485 2.312 1.00 . A A . 18 LEU CA 1 1 11 4575 1 1 18 LEU CB C 0.971 -0.915 2.661 1.00 . A A . 18 LEU CB 1 1 11 4576 1 1 18 LEU CD1 C -0.661 -2.196 4.040 1.00 . A A . 18 LEU CD1 1 1 11 4577 1 1 18 LEU CD2 C 1.548 -3.217 3.496 1.00 . A A . 18 LEU CD2 1 1 11 4578 1 1 18 LEU CG C 0.808 -1.925 3.797 1.00 . A A . 18 LEU CG 1 1 11 4579 1 1 18 LEU H H 2.553 0.295 4.274 1.00 . A A . 18 LEU H 1 1 11 4580 1 1 18 LEU HA H 2.959 -1.339 1.966 1.00 . A A . 18 LEU HA 1 1 11 4581 1 1 18 LEU HB2 H 0.421 -0.026 2.934 1.00 . A A . 18 LEU HB2 1 1 11 4582 1 1 18 LEU HB3 H 0.520 -1.332 1.773 1.00 . A A . 18 LEU HB3 1 1 11 4583 1 1 18 LEU HD11 H -1.157 -1.278 4.316 1.00 . A A . 18 LEU HD11 1 1 11 4584 1 1 18 LEU HD12 H -0.769 -2.920 4.834 1.00 . A A . 18 LEU HD12 1 1 11 4585 1 1 18 LEU HD13 H -1.103 -2.584 3.133 1.00 . A A . 18 LEU HD13 1 1 11 4586 1 1 18 LEU HD21 H 2.601 -3.013 3.381 1.00 . A A . 18 LEU HD21 1 1 11 4587 1 1 18 LEU HD22 H 1.163 -3.647 2.581 1.00 . A A . 18 LEU HD22 1 1 11 4588 1 1 18 LEU HD23 H 1.402 -3.912 4.309 1.00 . A A . 18 LEU HD23 1 1 11 4589 1 1 18 LEU HG H 1.216 -1.498 4.703 1.00 . A A . 18 LEU HG 1 1 11 4590 1 1 18 LEU N N 3.076 0.080 3.470 1.00 . A A . 18 LEU N 1 1 11 4591 1 1 18 LEU O O 2.303 1.771 1.506 1.00 . A A . 18 LEU O 1 1 11 4592 1 1 19 CYS C C 1.115 0.765 -1.991 1.00 . A A . 19 CYS C 1 1 11 4593 1 1 19 CYS CA C 2.339 1.010 -1.132 1.00 . A A . 19 CYS CA 1 1 11 4594 1 1 19 CYS CB C 3.627 0.803 -1.935 1.00 . A A . 19 CYS CB 1 1 11 4595 1 1 19 CYS H H 2.246 -0.845 -0.184 1.00 . A A . 19 CYS H 1 1 11 4596 1 1 19 CYS HA H 2.313 2.023 -0.760 1.00 . A A . 19 CYS HA 1 1 11 4597 1 1 19 CYS HB2 H 3.644 -0.203 -2.325 1.00 . A A . 19 CYS HB2 1 1 11 4598 1 1 19 CYS HB3 H 3.648 1.504 -2.755 1.00 . A A . 19 CYS HB3 1 1 11 4599 1 1 19 CYS N N 2.317 0.120 -0.004 1.00 . A A . 19 CYS N 1 1 11 4600 1 1 19 CYS O O 0.416 -0.251 -1.815 1.00 . A A . 19 CYS O 1 1 11 4601 1 1 19 CYS SG S 5.152 1.047 -0.953 1.00 . A A . 19 CYS SG 1 1 11 4602 1 1 20 CYS C C -0.005 0.950 -5.053 1.00 . A A . 20 CYS C 1 1 11 4603 1 1 20 CYS CA C -0.327 1.592 -3.721 1.00 . A A . 20 CYS CA 1 1 11 4604 1 1 20 CYS CB C -0.902 2.996 -3.932 1.00 . A A . 20 CYS CB 1 1 11 4605 1 1 20 CYS H H 1.469 2.429 -3.012 1.00 . A A . 20 CYS H 1 1 11 4606 1 1 20 CYS HA H -1.080 0.990 -3.233 1.00 . A A . 20 CYS HA 1 1 11 4607 1 1 20 CYS HB2 H -1.189 3.403 -2.974 1.00 . A A . 20 CYS HB2 1 1 11 4608 1 1 20 CYS HB3 H -0.134 3.625 -4.358 1.00 . A A . 20 CYS HB3 1 1 11 4609 1 1 20 CYS N N 0.843 1.672 -2.888 1.00 . A A . 20 CYS N 1 1 11 4610 1 1 20 CYS O O 0.816 1.453 -5.826 1.00 . A A . 20 CYS O 1 1 11 4611 1 1 20 CYS SG S -2.369 3.090 -5.021 1.00 . A A . 20 CYS SG 1 1 11 4612 1 1 21 VAL C C -1.916 -1.477 -6.871 1.00 . A A . 21 VAL C 1 1 11 4613 1 1 21 VAL CA C -0.541 -0.870 -6.550 1.00 . A A . 21 VAL CA 1 1 11 4614 1 1 21 VAL CB C 0.638 -1.909 -6.592 1.00 . A A . 21 VAL CB 1 1 11 4615 1 1 21 VAL CG1 C 0.574 -2.917 -5.442 1.00 . A A . 21 VAL CG1 1 1 11 4616 1 1 21 VAL CG2 C 0.721 -2.607 -7.952 1.00 . A A . 21 VAL CG2 1 1 11 4617 1 1 21 VAL H H -1.185 -0.577 -4.589 1.00 . A A . 21 VAL H 1 1 11 4618 1 1 21 VAL HA H -0.369 -0.099 -7.290 1.00 . A A . 21 VAL HA 1 1 11 4619 1 1 21 VAL HB H 1.548 -1.344 -6.451 1.00 . A A . 21 VAL HB 1 1 11 4620 1 1 21 VAL HG11 H 0.621 -2.391 -4.501 1.00 . A A . 21 VAL HG11 1 1 11 4621 1 1 21 VAL HG12 H 1.407 -3.601 -5.514 1.00 . A A . 21 VAL HG12 1 1 11 4622 1 1 21 VAL HG13 H -0.353 -3.470 -5.501 1.00 . A A . 21 VAL HG13 1 1 11 4623 1 1 21 VAL HG21 H 0.913 -1.875 -8.722 1.00 . A A . 21 VAL HG21 1 1 11 4624 1 1 21 VAL HG22 H -0.218 -3.100 -8.157 1.00 . A A . 21 VAL HG22 1 1 11 4625 1 1 21 VAL HG23 H 1.516 -3.338 -7.938 1.00 . A A . 21 VAL HG23 1 1 11 4626 1 1 21 VAL N N -0.626 -0.177 -5.295 1.00 . A A . 21 VAL N 1 1 11 4627 1 1 21 VAL O O -2.152 -2.693 -6.765 1.00 . A A . 21 VAL O 1 1 11 4628 1 1 22 GLY C C -4.955 -1.119 -6.014 1.00 . A A . 22 GLY C 1 1 11 4629 1 1 22 GLY CA C -4.250 -0.983 -7.344 1.00 . A A . 22 GLY CA 1 1 11 4630 1 1 22 GLY H H -2.633 0.363 -7.093 1.00 . A A . 22 GLY H 1 1 11 4631 1 1 22 GLY HA2 H -4.745 -0.237 -7.947 1.00 . A A . 22 GLY HA2 1 1 11 4632 1 1 22 GLY HA3 H -4.271 -1.936 -7.850 1.00 . A A . 22 GLY HA3 1 1 11 4633 1 1 22 GLY N N -2.865 -0.590 -7.109 1.00 . A A . 22 GLY N 1 1 11 4634 1 1 22 GLY O O -6.006 -0.507 -5.751 1.00 . A A . 22 GLY O 1 1 11 4635 1 1 23 ILE C C -3.516 -1.829 -2.987 1.00 . A A . 23 ILE C 1 1 11 4636 1 1 23 ILE CA C -4.735 -2.113 -3.837 1.00 . A A . 23 ILE CA 1 1 11 4637 1 1 23 ILE CB C -5.202 -3.581 -3.591 1.00 . A A . 23 ILE CB 1 1 11 4638 1 1 23 ILE CD1 C -4.429 -6.040 -3.753 1.00 . A A . 23 ILE CD1 1 1 11 4639 1 1 23 ILE CG1 C -4.105 -4.584 -4.031 1.00 . A A . 23 ILE CG1 1 1 11 4640 1 1 23 ILE CG2 C -6.525 -3.857 -4.306 1.00 . A A . 23 ILE CG2 1 1 11 4641 1 1 23 ILE H H -3.543 -2.360 -5.505 1.00 . A A . 23 ILE H 1 1 11 4642 1 1 23 ILE HA H -5.527 -1.428 -3.579 1.00 . A A . 23 ILE HA 1 1 11 4643 1 1 23 ILE HB H -5.373 -3.697 -2.531 1.00 . A A . 23 ILE HB 1 1 11 4644 1 1 23 ILE HD11 H -4.528 -6.190 -2.690 1.00 . A A . 23 ILE HD11 1 1 11 4645 1 1 23 ILE HD12 H -3.632 -6.663 -4.132 1.00 . A A . 23 ILE HD12 1 1 11 4646 1 1 23 ILE HD13 H -5.356 -6.300 -4.242 1.00 . A A . 23 ILE HD13 1 1 11 4647 1 1 23 ILE HG12 H -3.948 -4.485 -5.095 1.00 . A A . 23 ILE HG12 1 1 11 4648 1 1 23 ILE HG13 H -3.186 -4.341 -3.518 1.00 . A A . 23 ILE HG13 1 1 11 4649 1 1 23 ILE HG21 H -6.819 -4.880 -4.132 1.00 . A A . 23 ILE HG21 1 1 11 4650 1 1 23 ILE HG22 H -6.402 -3.692 -5.367 1.00 . A A . 23 ILE HG22 1 1 11 4651 1 1 23 ILE HG23 H -7.287 -3.193 -3.925 1.00 . A A . 23 ILE HG23 1 1 11 4652 1 1 23 ILE N N -4.349 -1.899 -5.184 1.00 . A A . 23 ILE N 1 1 11 4653 1 1 23 ILE O O -2.394 -1.734 -3.521 1.00 . A A . 23 ILE O 1 1 11 4654 1 1 24 CYS C C -1.985 -2.824 -0.575 1.00 . A A . 24 CYS C 1 1 11 4655 1 1 24 CYS CA C -2.610 -1.479 -0.829 1.00 . A A . 24 CYS CA 1 1 11 4656 1 1 24 CYS CB C -3.064 -0.837 0.473 1.00 . A A . 24 CYS CB 1 1 11 4657 1 1 24 CYS H H -4.630 -1.632 -1.375 1.00 . A A . 24 CYS H 1 1 11 4658 1 1 24 CYS HA H -1.884 -0.840 -1.311 1.00 . A A . 24 CYS HA 1 1 11 4659 1 1 24 CYS HB2 H -3.838 -1.448 0.913 1.00 . A A . 24 CYS HB2 1 1 11 4660 1 1 24 CYS HB3 H -2.225 -0.786 1.152 1.00 . A A . 24 CYS HB3 1 1 11 4661 1 1 24 CYS N N -3.709 -1.652 -1.725 1.00 . A A . 24 CYS N 1 1 11 4662 1 1 24 CYS O O -2.689 -3.795 -0.259 1.00 . A A . 24 CYS O 1 1 11 4663 1 1 24 CYS SG S -3.720 0.844 0.268 1.00 . A A . 24 CYS SG 1 1 11 4664 1 1 25 ALA C C 1.457 -3.796 -0.269 1.00 . A A . 25 ALA C 1 1 11 4665 1 1 25 ALA CA C 0.028 -4.125 -0.588 1.00 . A A . 25 ALA CA 1 1 11 4666 1 1 25 ALA CB C -0.054 -4.991 -1.845 1.00 . A A . 25 ALA CB 1 1 11 4667 1 1 25 ALA H H -0.196 -2.107 -1.052 1.00 . A A . 25 ALA H 1 1 11 4668 1 1 25 ALA HA H -0.407 -4.667 0.238 1.00 . A A . 25 ALA HA 1 1 11 4669 1 1 25 ALA HB1 H 0.382 -4.459 -2.677 1.00 . A A . 25 ALA HB1 1 1 11 4670 1 1 25 ALA HB2 H -1.089 -5.212 -2.062 1.00 . A A . 25 ALA HB2 1 1 11 4671 1 1 25 ALA HB3 H 0.485 -5.912 -1.683 1.00 . A A . 25 ALA HB3 1 1 11 4672 1 1 25 ALA N N -0.700 -2.903 -0.771 1.00 . A A . 25 ALA N 1 1 11 4673 1 1 25 ALA O O 1.885 -2.640 -0.423 1.00 . A A . 25 ALA O 1 1 11 4674 1 1 26 LYS C C 4.373 -4.860 -0.758 1.00 . A A . 26 LYS C 1 1 11 4675 1 1 26 LYS CA C 3.571 -4.570 0.489 1.00 . A A . 26 LYS CA 1 1 11 4676 1 1 26 LYS CB C 4.020 -5.489 1.631 1.00 . A A . 26 LYS CB 1 1 11 4677 1 1 26 LYS CD C 5.529 -3.828 2.746 1.00 . A A . 26 LYS CD 1 1 11 4678 1 1 26 LYS CE C 6.939 -3.501 3.200 1.00 . A A . 26 LYS CE 1 1 11 4679 1 1 26 LYS CG C 5.432 -5.215 2.125 1.00 . A A . 26 LYS CG 1 1 11 4680 1 1 26 LYS H H 1.790 -5.654 0.325 1.00 . A A . 26 LYS H 1 1 11 4681 1 1 26 LYS HA H 3.708 -3.540 0.778 1.00 . A A . 26 LYS HA 1 1 11 4682 1 1 26 LYS HB2 H 3.342 -5.362 2.462 1.00 . A A . 26 LYS HB2 1 1 11 4683 1 1 26 LYS HB3 H 3.971 -6.513 1.291 1.00 . A A . 26 LYS HB3 1 1 11 4684 1 1 26 LYS HD2 H 5.222 -3.090 2.022 1.00 . A A . 26 LYS HD2 1 1 11 4685 1 1 26 LYS HD3 H 4.867 -3.786 3.598 1.00 . A A . 26 LYS HD3 1 1 11 4686 1 1 26 LYS HE2 H 6.934 -2.529 3.672 1.00 . A A . 26 LYS HE2 1 1 11 4687 1 1 26 LYS HE3 H 7.246 -4.245 3.920 1.00 . A A . 26 LYS HE3 1 1 11 4688 1 1 26 LYS HG2 H 5.702 -5.956 2.862 1.00 . A A . 26 LYS HG2 1 1 11 4689 1 1 26 LYS HG3 H 6.112 -5.273 1.288 1.00 . A A . 26 LYS HG3 1 1 11 4690 1 1 26 LYS HZ1 H 8.017 -4.412 1.632 1.00 . A A . 26 LYS HZ1 1 1 11 4691 1 1 26 LYS HZ2 H 8.842 -3.186 2.418 1.00 . A A . 26 LYS HZ2 1 1 11 4692 1 1 26 LYS HZ3 H 7.622 -2.801 1.347 1.00 . A A . 26 LYS HZ3 1 1 11 4693 1 1 26 LYS N N 2.188 -4.766 0.190 1.00 . A A . 26 LYS N 1 1 11 4694 1 1 26 LYS NZ N 7.902 -3.482 2.080 1.00 . A A . 26 LYS NZ 1 1 11 4695 1 1 26 LYS O O 4.205 -5.915 -1.373 1.00 . A A . 26 LYS O 1 1 11 4696 1 1 27 THR C C 7.428 -4.490 -1.875 1.00 . A A . 27 THR C 1 1 11 4697 1 1 27 THR CA C 6.018 -4.084 -2.301 1.00 . A A . 27 THR CA 1 1 11 4698 1 1 27 THR CB C 6.050 -2.764 -3.107 1.00 . A A . 27 THR CB 1 1 11 4699 1 1 27 THR CG2 C 4.704 -2.502 -3.767 1.00 . A A . 27 THR CG2 1 1 11 4700 1 1 27 THR H H 5.275 -3.089 -0.653 1.00 . A A . 27 THR H 1 1 11 4701 1 1 27 THR HA H 5.596 -4.860 -2.923 1.00 . A A . 27 THR HA 1 1 11 4702 1 1 27 THR HB H 6.811 -2.837 -3.869 1.00 . A A . 27 THR HB 1 1 11 4703 1 1 27 THR HG1 H 7.181 -1.248 -2.572 1.00 . A A . 27 THR HG1 1 1 11 4704 1 1 27 THR HG21 H 4.472 -3.309 -4.445 1.00 . A A . 27 THR HG21 1 1 11 4705 1 1 27 THR HG22 H 4.745 -1.571 -4.311 1.00 . A A . 27 THR HG22 1 1 11 4706 1 1 27 THR HG23 H 3.939 -2.442 -3.005 1.00 . A A . 27 THR HG23 1 1 11 4707 1 1 27 THR N N 5.191 -3.931 -1.148 1.00 . A A . 27 THR N 1 1 11 4708 1 1 27 THR O O 7.818 -4.272 -0.713 1.00 . A A . 27 THR O 1 1 11 4709 1 1 27 THR OG1 O 6.374 -1.666 -2.233 1.00 . A A . 27 THR OG1 1 1 11 4710 1 1 28 ILE C C 10.402 -4.247 -2.430 1.00 . A A . 28 ILE C 1 1 11 4711 1 1 28 ILE CA C 9.538 -5.499 -2.517 1.00 . A A . 28 ILE CA 1 1 11 4712 1 1 28 ILE CB C 10.072 -6.439 -3.637 1.00 . A A . 28 ILE CB 1 1 11 4713 1 1 28 ILE CD1 C 9.524 -8.600 -4.920 1.00 . A A . 28 ILE CD1 1 1 11 4714 1 1 28 ILE CG1 C 9.141 -7.657 -3.793 1.00 . A A . 28 ILE CG1 1 1 11 4715 1 1 28 ILE CG2 C 11.503 -6.892 -3.326 1.00 . A A . 28 ILE CG2 1 1 11 4716 1 1 28 ILE H H 7.802 -5.250 -3.680 1.00 . A A . 28 ILE H 1 1 11 4717 1 1 28 ILE HA H 9.558 -6.016 -1.568 1.00 . A A . 28 ILE HA 1 1 11 4718 1 1 28 ILE HB H 10.085 -5.887 -4.566 1.00 . A A . 28 ILE HB 1 1 11 4719 1 1 28 ILE HD11 H 9.501 -8.066 -5.859 1.00 . A A . 28 ILE HD11 1 1 11 4720 1 1 28 ILE HD12 H 8.826 -9.421 -4.956 1.00 . A A . 28 ILE HD12 1 1 11 4721 1 1 28 ILE HD13 H 10.521 -8.980 -4.746 1.00 . A A . 28 ILE HD13 1 1 11 4722 1 1 28 ILE HG12 H 9.151 -8.227 -2.876 1.00 . A A . 28 ILE HG12 1 1 11 4723 1 1 28 ILE HG13 H 8.137 -7.307 -3.978 1.00 . A A . 28 ILE HG13 1 1 11 4724 1 1 28 ILE HG21 H 11.856 -7.538 -4.116 1.00 . A A . 28 ILE HG21 1 1 11 4725 1 1 28 ILE HG22 H 11.514 -7.430 -2.389 1.00 . A A . 28 ILE HG22 1 1 11 4726 1 1 28 ILE HG23 H 12.146 -6.027 -3.252 1.00 . A A . 28 ILE HG23 1 1 11 4727 1 1 28 ILE N N 8.173 -5.088 -2.786 1.00 . A A . 28 ILE N 1 1 11 4728 1 1 28 ILE O O 11.246 -4.103 -1.532 1.00 . A A . 28 ILE O 1 1 11 4729 1 1 29 ALA C C 9.962 -1.059 -2.608 1.00 . A A . 29 ALA C 1 1 11 4730 1 1 29 ALA CA C 10.828 -2.063 -3.371 1.00 . A A . 29 ALA CA 1 1 11 4731 1 1 29 ALA CB C 11.039 -1.601 -4.810 1.00 . A A . 29 ALA CB 1 1 11 4732 1 1 29 ALA H H 9.502 -3.546 -4.048 1.00 . A A . 29 ALA H 1 1 11 4733 1 1 29 ALA HA H 11.788 -2.176 -2.891 1.00 . A A . 29 ALA HA 1 1 11 4734 1 1 29 ALA HB1 H 11.525 -0.637 -4.811 1.00 . A A . 29 ALA HB1 1 1 11 4735 1 1 29 ALA HB2 H 10.084 -1.525 -5.306 1.00 . A A . 29 ALA HB2 1 1 11 4736 1 1 29 ALA HB3 H 11.658 -2.317 -5.330 1.00 . A A . 29 ALA HB3 1 1 11 4737 1 1 29 ALA N N 10.165 -3.341 -3.353 1.00 . A A . 29 ALA N 1 1 11 4738 1 1 29 ALA O O 8.820 -0.790 -3.020 1.00 . A A . 29 ALA O 1 1 11 4739 1 1 30 PRO C C 9.423 1.745 -1.352 1.00 . A A . 30 PRO C 1 1 11 4740 1 1 30 PRO CA C 9.696 0.414 -0.649 1.00 . A A . 30 PRO CA 1 1 11 4741 1 1 30 PRO CB C 10.598 0.651 0.571 1.00 . A A . 30 PRO CB 1 1 11 4742 1 1 30 PRO CD C 11.798 -0.769 -0.932 1.00 . A A . 30 PRO CD 1 1 11 4743 1 1 30 PRO CG C 11.647 -0.401 0.508 1.00 . A A . 30 PRO CG 1 1 11 4744 1 1 30 PRO HA H 8.760 -0.020 -0.329 1.00 . A A . 30 PRO HA 1 1 11 4745 1 1 30 PRO HB2 H 11.023 1.642 0.521 1.00 . A A . 30 PRO HB2 1 1 11 4746 1 1 30 PRO HB3 H 10.009 0.563 1.472 1.00 . A A . 30 PRO HB3 1 1 11 4747 1 1 30 PRO HD2 H 12.542 -0.148 -1.409 1.00 . A A . 30 PRO HD2 1 1 11 4748 1 1 30 PRO HD3 H 12.063 -1.813 -1.005 1.00 . A A . 30 PRO HD3 1 1 11 4749 1 1 30 PRO HG2 H 12.578 -0.014 0.893 1.00 . A A . 30 PRO HG2 1 1 11 4750 1 1 30 PRO HG3 H 11.337 -1.259 1.086 1.00 . A A . 30 PRO HG3 1 1 11 4751 1 1 30 PRO N N 10.458 -0.521 -1.485 1.00 . A A . 30 PRO N 1 1 11 4752 1 1 30 PRO O O 10.216 2.201 -2.192 1.00 . A A . 30 PRO O 1 1 11 4753 1 1 31 CYS C C 8.060 4.699 -0.501 1.00 . A A . 31 CYS C 1 1 11 4754 1 1 31 CYS CA C 7.917 3.628 -1.569 1.00 . A A . 31 CYS CA 1 1 11 4755 1 1 31 CYS CB C 6.463 3.560 -2.047 1.00 . A A . 31 CYS CB 1 1 11 4756 1 1 31 CYS H H 7.695 1.913 -0.387 1.00 . A A . 31 CYS H 1 1 11 4757 1 1 31 CYS HA H 8.555 3.870 -2.405 1.00 . A A . 31 CYS HA 1 1 11 4758 1 1 31 CYS HB2 H 6.156 4.530 -2.408 1.00 . A A . 31 CYS HB2 1 1 11 4759 1 1 31 CYS HB3 H 6.391 2.839 -2.845 1.00 . A A . 31 CYS HB3 1 1 11 4760 1 1 31 CYS N N 8.309 2.343 -1.023 1.00 . A A . 31 CYS N 1 1 11 4761 1 1 31 CYS O O 8.037 5.895 -0.783 1.00 . A A . 31 CYS O 1 1 11 4762 1 1 31 CYS SG S 5.282 3.057 -0.744 1.00 . A A . 31 CYS SG 1 1 11 4763 1 1 32 LYS C C 9.639 4.956 2.493 1.00 . A A . 32 LYS C 1 1 11 4764 1 1 32 LYS CA C 8.296 5.131 1.859 1.00 . A A . 32 LYS CA 1 1 11 4765 1 1 32 LYS CB C 7.176 4.809 2.843 1.00 . A A . 32 LYS CB 1 1 11 4766 1 1 32 LYS CD C 4.712 4.467 3.084 1.00 . A A . 32 LYS CD 1 1 11 4767 1 1 32 LYS CE C 3.364 4.830 2.515 1.00 . A A . 32 LYS CE 1 1 11 4768 1 1 32 LYS CG C 5.807 5.104 2.280 1.00 . A A . 32 LYS CG 1 1 11 4769 1 1 32 LYS H H 8.259 3.296 0.884 1.00 . A A . 32 LYS H 1 1 11 4770 1 1 32 LYS HA H 8.187 6.151 1.520 1.00 . A A . 32 LYS HA 1 1 11 4771 1 1 32 LYS HB2 H 7.226 3.762 3.104 1.00 . A A . 32 LYS HB2 1 1 11 4772 1 1 32 LYS HB3 H 7.312 5.401 3.736 1.00 . A A . 32 LYS HB3 1 1 11 4773 1 1 32 LYS HD2 H 4.829 3.394 3.039 1.00 . A A . 32 LYS HD2 1 1 11 4774 1 1 32 LYS HD3 H 4.770 4.802 4.108 1.00 . A A . 32 LYS HD3 1 1 11 4775 1 1 32 LYS HE2 H 3.189 5.883 2.676 1.00 . A A . 32 LYS HE2 1 1 11 4776 1 1 32 LYS HE3 H 3.372 4.629 1.453 1.00 . A A . 32 LYS HE3 1 1 11 4777 1 1 32 LYS HG2 H 5.653 6.172 2.279 1.00 . A A . 32 LYS HG2 1 1 11 4778 1 1 32 LYS HG3 H 5.765 4.734 1.266 1.00 . A A . 32 LYS HG3 1 1 11 4779 1 1 32 LYS HZ1 H 2.311 4.143 4.177 1.00 . A A . 32 LYS HZ1 1 1 11 4780 1 1 32 LYS HZ2 H 2.324 3.069 2.847 1.00 . A A . 32 LYS HZ2 1 1 11 4781 1 1 32 LYS HZ3 H 1.357 4.442 2.817 1.00 . A A . 32 LYS HZ3 1 1 11 4782 1 1 32 LYS N N 8.201 4.261 0.721 1.00 . A A . 32 LYS N 1 1 11 4783 1 1 32 LYS NZ N 2.273 4.066 3.138 1.00 . A A . 32 LYS NZ 1 1 11 4784 1 1 32 LYS O O 9.849 3.958 3.190 1.00 . A A . 32 LYS O 1 1 11 4785 1 1 32 LYS OXT O 10.515 5.799 2.272 1.00 . A A . 32 LYS OXT 1 1 12 4786 1 1 1 CYS C C -6.139 3.404 5.374 1.00 . A A . 1 CYS C 1 1 12 4787 1 1 1 CYS CA C -5.468 4.709 5.772 1.00 . A A . 1 CYS CA 1 1 12 4788 1 1 1 CYS CB C -4.044 4.443 6.290 1.00 . A A . 1 CYS CB 1 1 12 4789 1 1 1 CYS H1 H -6.340 4.770 7.616 1.00 . A A . 1 CYS H1 1 1 12 4790 1 1 1 CYS H2 H -7.211 5.579 6.429 1.00 . A A . 1 CYS H2 1 1 12 4791 1 1 1 CYS H3 H -5.799 6.276 7.074 1.00 . A A . 1 CYS H3 1 1 12 4792 1 1 1 CYS HA H -5.409 5.345 4.902 1.00 . A A . 1 CYS HA 1 1 12 4793 1 1 1 CYS HB2 H -3.495 3.904 5.532 1.00 . A A . 1 CYS HB2 1 1 12 4794 1 1 1 CYS HB3 H -3.549 5.385 6.472 1.00 . A A . 1 CYS HB3 1 1 12 4795 1 1 1 CYS N N -6.253 5.387 6.785 1.00 . A A . 1 CYS N 1 1 12 4796 1 1 1 CYS O O -6.870 2.802 6.172 1.00 . A A . 1 CYS O 1 1 12 4797 1 1 1 CYS SG S -3.948 3.453 7.829 1.00 . A A . 1 CYS SG 1 1 12 4798 1 1 2 ALA C C -5.473 0.628 4.073 1.00 . A A . 2 ALA C 1 1 12 4799 1 1 2 ALA CA C -6.433 1.729 3.661 1.00 . A A . 2 ALA CA 1 1 12 4800 1 1 2 ALA CB C -6.591 1.779 2.152 1.00 . A A . 2 ALA CB 1 1 12 4801 1 1 2 ALA H H -5.375 3.535 3.542 1.00 . A A . 2 ALA H 1 1 12 4802 1 1 2 ALA HA H -7.396 1.554 4.116 1.00 . A A . 2 ALA HA 1 1 12 4803 1 1 2 ALA HB1 H -7.269 2.576 1.886 1.00 . A A . 2 ALA HB1 1 1 12 4804 1 1 2 ALA HB2 H -6.988 0.839 1.799 1.00 . A A . 2 ALA HB2 1 1 12 4805 1 1 2 ALA HB3 H -5.629 1.957 1.694 1.00 . A A . 2 ALA HB3 1 1 12 4806 1 1 2 ALA N N -5.922 2.983 4.149 1.00 . A A . 2 ALA N 1 1 12 4807 1 1 2 ALA O O -4.245 0.818 4.034 1.00 . A A . 2 ALA O 1 1 12 4808 1 1 3 VAL C C -4.793 -2.502 3.838 1.00 . A A . 3 VAL C 1 1 12 4809 1 1 3 VAL CA C -5.169 -1.569 4.977 1.00 . A A . 3 VAL CA 1 1 12 4810 1 1 3 VAL CB C -5.861 -2.370 6.119 1.00 . A A . 3 VAL CB 1 1 12 4811 1 1 3 VAL CG1 C -6.297 -1.442 7.239 1.00 . A A . 3 VAL CG1 1 1 12 4812 1 1 3 VAL CG2 C -7.036 -3.190 5.604 1.00 . A A . 3 VAL CG2 1 1 12 4813 1 1 3 VAL H H -6.978 -0.618 4.439 1.00 . A A . 3 VAL H 1 1 12 4814 1 1 3 VAL HA H -4.263 -1.125 5.365 1.00 . A A . 3 VAL HA 1 1 12 4815 1 1 3 VAL HB H -5.126 -3.047 6.532 1.00 . A A . 3 VAL HB 1 1 12 4816 1 1 3 VAL HG11 H -6.992 -0.714 6.846 1.00 . A A . 3 VAL HG11 1 1 12 4817 1 1 3 VAL HG12 H -5.437 -0.930 7.643 1.00 . A A . 3 VAL HG12 1 1 12 4818 1 1 3 VAL HG13 H -6.780 -2.013 8.017 1.00 . A A . 3 VAL HG13 1 1 12 4819 1 1 3 VAL HG21 H -7.738 -2.523 5.122 1.00 . A A . 3 VAL HG21 1 1 12 4820 1 1 3 VAL HG22 H -7.520 -3.698 6.425 1.00 . A A . 3 VAL HG22 1 1 12 4821 1 1 3 VAL HG23 H -6.683 -3.911 4.883 1.00 . A A . 3 VAL HG23 1 1 12 4822 1 1 3 VAL N N -6.001 -0.490 4.489 1.00 . A A . 3 VAL N 1 1 12 4823 1 1 3 VAL O O -5.161 -2.258 2.677 1.00 . A A . 3 VAL O 1 1 12 4824 1 1 4 THR C C -4.861 -5.099 2.434 1.00 . A A . 4 THR C 1 1 12 4825 1 1 4 THR CA C -3.644 -4.537 3.200 1.00 . A A . 4 THR CA 1 1 12 4826 1 1 4 THR CB C -2.896 -5.686 3.913 1.00 . A A . 4 THR CB 1 1 12 4827 1 1 4 THR CG2 C -2.254 -6.627 2.904 1.00 . A A . 4 THR CG2 1 1 12 4828 1 1 4 THR H H -3.772 -3.654 5.094 1.00 . A A . 4 THR H 1 1 12 4829 1 1 4 THR HA H -2.969 -4.068 2.499 1.00 . A A . 4 THR HA 1 1 12 4830 1 1 4 THR HB H -3.600 -6.235 4.522 1.00 . A A . 4 THR HB 1 1 12 4831 1 1 4 THR HG1 H -2.237 -5.014 5.633 1.00 . A A . 4 THR HG1 1 1 12 4832 1 1 4 THR HG21 H -3.017 -7.039 2.261 1.00 . A A . 4 THR HG21 1 1 12 4833 1 1 4 THR HG22 H -1.758 -7.431 3.429 1.00 . A A . 4 THR HG22 1 1 12 4834 1 1 4 THR HG23 H -1.534 -6.085 2.310 1.00 . A A . 4 THR HG23 1 1 12 4835 1 1 4 THR N N -4.060 -3.546 4.163 1.00 . A A . 4 THR N 1 1 12 4836 1 1 4 THR O O -5.911 -5.382 3.030 1.00 . A A . 4 THR O 1 1 12 4837 1 1 4 THR OG1 O -1.862 -5.131 4.751 1.00 . A A . 4 THR OG1 1 1 12 4838 1 1 5 HIS C C -6.916 -4.767 -0.064 1.00 . A A . 5 HIS C 1 1 12 4839 1 1 5 HIS CA C -5.732 -5.709 0.185 1.00 . A A . 5 HIS CA 1 1 12 4840 1 1 5 HIS CB C -6.209 -7.133 0.568 1.00 . A A . 5 HIS CB 1 1 12 4841 1 1 5 HIS CD2 C -4.237 -8.550 -0.346 1.00 . A A . 5 HIS CD2 1 1 12 4842 1 1 5 HIS CE1 C -3.824 -9.753 1.409 1.00 . A A . 5 HIS CE1 1 1 12 4843 1 1 5 HIS CG C -5.117 -8.165 0.612 1.00 . A A . 5 HIS CG 1 1 12 4844 1 1 5 HIS H H -3.888 -4.801 0.732 1.00 . A A . 5 HIS H 1 1 12 4845 1 1 5 HIS HA H -5.215 -5.777 -0.762 1.00 . A A . 5 HIS HA 1 1 12 4846 1 1 5 HIS HB2 H -6.658 -7.097 1.550 1.00 . A A . 5 HIS HB2 1 1 12 4847 1 1 5 HIS HB3 H -6.951 -7.458 -0.146 1.00 . A A . 5 HIS HB3 1 1 12 4848 1 1 5 HIS HD1 H -5.313 -8.902 2.578 1.00 . A A . 5 HIS HD1 1 1 12 4849 1 1 5 HIS HD2 H -4.174 -8.153 -1.347 1.00 . A A . 5 HIS HD2 1 1 12 4850 1 1 5 HIS HE1 H -3.392 -10.476 2.085 1.00 . A A . 5 HIS HE1 1 1 12 4851 1 1 5 HIS N N -4.724 -5.158 1.112 1.00 . A A . 5 HIS N 1 1 12 4852 1 1 5 HIS ND1 N -4.839 -8.941 1.717 1.00 . A A . 5 HIS ND1 1 1 12 4853 1 1 5 HIS NE2 N -3.417 -9.556 0.162 1.00 . A A . 5 HIS NE2 1 1 12 4854 1 1 5 HIS O O -7.824 -5.099 -0.836 1.00 . A A . 5 HIS O 1 1 12 4855 1 1 6 GLU C C -7.449 -1.771 -0.866 1.00 . A A . 6 GLU C 1 1 12 4856 1 1 6 GLU CA C -7.941 -2.613 0.280 1.00 . A A . 6 GLU CA 1 1 12 4857 1 1 6 GLU CB C -8.267 -1.722 1.479 1.00 . A A . 6 GLU CB 1 1 12 4858 1 1 6 GLU CD C -9.509 -1.440 3.615 1.00 . A A . 6 GLU CD 1 1 12 4859 1 1 6 GLU CG C -8.952 -2.421 2.617 1.00 . A A . 6 GLU CG 1 1 12 4860 1 1 6 GLU H H -6.245 -3.407 1.253 1.00 . A A . 6 GLU H 1 1 12 4861 1 1 6 GLU HA H -8.829 -3.135 -0.043 1.00 . A A . 6 GLU HA 1 1 12 4862 1 1 6 GLU HB2 H -7.341 -1.345 1.889 1.00 . A A . 6 GLU HB2 1 1 12 4863 1 1 6 GLU HB3 H -8.887 -0.898 1.160 1.00 . A A . 6 GLU HB3 1 1 12 4864 1 1 6 GLU HG2 H -9.764 -3.014 2.222 1.00 . A A . 6 GLU HG2 1 1 12 4865 1 1 6 GLU HG3 H -8.244 -3.065 3.116 1.00 . A A . 6 GLU HG3 1 1 12 4866 1 1 6 GLU N N -6.929 -3.613 0.579 1.00 . A A . 6 GLU N 1 1 12 4867 1 1 6 GLU O O -6.255 -1.731 -1.112 1.00 . A A . 6 GLU O 1 1 12 4868 1 1 6 GLU OE1 O -8.748 -0.824 4.383 1.00 . A A . 6 GLU OE1 1 1 12 4869 1 1 6 GLU OE2 O -10.737 -1.268 3.660 1.00 . A A . 6 GLU OE2 1 1 12 4870 1 1 7 LYS C C -7.244 0.940 -2.212 1.00 . A A . 7 LYS C 1 1 12 4871 1 1 7 LYS CA C -7.979 -0.291 -2.696 1.00 . A A . 7 LYS CA 1 1 12 4872 1 1 7 LYS CB C -9.203 0.103 -3.511 1.00 . A A . 7 LYS CB 1 1 12 4873 1 1 7 LYS CD C -11.126 -0.627 -4.927 1.00 . A A . 7 LYS CD 1 1 12 4874 1 1 7 LYS CE C -11.907 -1.803 -5.472 1.00 . A A . 7 LYS CE 1 1 12 4875 1 1 7 LYS CG C -9.961 -1.080 -4.080 1.00 . A A . 7 LYS CG 1 1 12 4876 1 1 7 LYS H H -9.294 -1.191 -1.313 1.00 . A A . 7 LYS H 1 1 12 4877 1 1 7 LYS HA H -7.311 -0.866 -3.321 1.00 . A A . 7 LYS HA 1 1 12 4878 1 1 7 LYS HB2 H -9.874 0.665 -2.877 1.00 . A A . 7 LYS HB2 1 1 12 4879 1 1 7 LYS HB3 H -8.889 0.732 -4.332 1.00 . A A . 7 LYS HB3 1 1 12 4880 1 1 7 LYS HD2 H -11.786 -0.018 -4.325 1.00 . A A . 7 LYS HD2 1 1 12 4881 1 1 7 LYS HD3 H -10.749 -0.044 -5.753 1.00 . A A . 7 LYS HD3 1 1 12 4882 1 1 7 LYS HE2 H -11.230 -2.459 -5.997 1.00 . A A . 7 LYS HE2 1 1 12 4883 1 1 7 LYS HE3 H -12.357 -2.337 -4.647 1.00 . A A . 7 LYS HE3 1 1 12 4884 1 1 7 LYS HG2 H -9.287 -1.663 -4.691 1.00 . A A . 7 LYS HG2 1 1 12 4885 1 1 7 LYS HG3 H -10.326 -1.686 -3.264 1.00 . A A . 7 LYS HG3 1 1 12 4886 1 1 7 LYS HZ1 H -13.493 -2.188 -6.756 1.00 . A A . 7 LYS HZ1 1 1 12 4887 1 1 7 LYS HZ2 H -12.561 -0.851 -7.204 1.00 . A A . 7 LYS HZ2 1 1 12 4888 1 1 7 LYS HZ3 H -13.642 -0.732 -5.920 1.00 . A A . 7 LYS HZ3 1 1 12 4889 1 1 7 LYS N N -8.350 -1.125 -1.569 1.00 . A A . 7 LYS N 1 1 12 4890 1 1 7 LYS NZ N -12.969 -1.366 -6.397 1.00 . A A . 7 LYS NZ 1 1 12 4891 1 1 7 LYS O O -7.543 1.465 -1.126 1.00 . A A . 7 LYS O 1 1 12 4892 1 1 8 CYS C C -5.692 3.717 -3.503 1.00 . A A . 8 CYS C 1 1 12 4893 1 1 8 CYS CA C -5.482 2.514 -2.613 1.00 . A A . 8 CYS CA 1 1 12 4894 1 1 8 CYS CB C -4.027 2.077 -2.704 1.00 . A A . 8 CYS CB 1 1 12 4895 1 1 8 CYS H H -6.196 1.012 -3.895 1.00 . A A . 8 CYS H 1 1 12 4896 1 1 8 CYS HA H -5.692 2.770 -1.587 1.00 . A A . 8 CYS HA 1 1 12 4897 1 1 8 CYS HB2 H -3.390 2.921 -2.480 1.00 . A A . 8 CYS HB2 1 1 12 4898 1 1 8 CYS HB3 H -3.846 1.295 -1.981 1.00 . A A . 8 CYS HB3 1 1 12 4899 1 1 8 CYS N N -6.330 1.414 -3.007 1.00 . A A . 8 CYS N 1 1 12 4900 1 1 8 CYS O O -5.864 3.590 -4.717 1.00 . A A . 8 CYS O 1 1 12 4901 1 1 8 CYS SG S -3.542 1.438 -4.349 1.00 . A A . 8 CYS SG 1 1 12 4902 1 1 9 SER C C -4.375 6.611 -3.894 1.00 . A A . 9 SER C 1 1 12 4903 1 1 9 SER CA C -5.797 6.094 -3.665 1.00 . A A . 9 SER CA 1 1 12 4904 1 1 9 SER CB C -6.644 7.117 -2.917 1.00 . A A . 9 SER CB 1 1 12 4905 1 1 9 SER H H -5.724 4.922 -1.921 1.00 . A A . 9 SER H 1 1 12 4906 1 1 9 SER HA H -6.253 5.872 -4.619 1.00 . A A . 9 SER HA 1 1 12 4907 1 1 9 SER HB2 H -6.164 7.360 -1.981 1.00 . A A . 9 SER HB2 1 1 12 4908 1 1 9 SER HB3 H -6.750 8.010 -3.514 1.00 . A A . 9 SER HB3 1 1 12 4909 1 1 9 SER HG H -7.827 5.863 -2.017 1.00 . A A . 9 SER HG 1 1 12 4910 1 1 9 SER N N -5.725 4.876 -2.910 1.00 . A A . 9 SER N 1 1 12 4911 1 1 9 SER O O -4.097 7.305 -4.875 1.00 . A A . 9 SER O 1 1 12 4912 1 1 9 SER OG O -7.940 6.587 -2.646 1.00 . A A . 9 SER OG 1 1 12 4913 1 1 10 ASP C C -1.300 5.631 -2.161 1.00 . A A . 10 ASP C 1 1 12 4914 1 1 10 ASP CA C -2.078 6.597 -3.041 1.00 . A A . 10 ASP CA 1 1 12 4915 1 1 10 ASP CB C -1.909 8.045 -2.538 1.00 . A A . 10 ASP CB 1 1 12 4916 1 1 10 ASP CG C -0.470 8.490 -2.477 1.00 . A A . 10 ASP CG 1 1 12 4917 1 1 10 ASP H H -3.744 5.589 -2.295 1.00 . A A . 10 ASP H 1 1 12 4918 1 1 10 ASP HA H -1.728 6.518 -4.060 1.00 . A A . 10 ASP HA 1 1 12 4919 1 1 10 ASP HB2 H -2.438 8.716 -3.197 1.00 . A A . 10 ASP HB2 1 1 12 4920 1 1 10 ASP HB3 H -2.326 8.110 -1.545 1.00 . A A . 10 ASP HB3 1 1 12 4921 1 1 10 ASP N N -3.478 6.206 -3.011 1.00 . A A . 10 ASP N 1 1 12 4922 1 1 10 ASP O O -1.901 4.896 -1.390 1.00 . A A . 10 ASP O 1 1 12 4923 1 1 10 ASP OD1 O 0.070 8.625 -1.364 1.00 . A A . 10 ASP OD1 1 1 12 4924 1 1 10 ASP OD2 O 0.166 8.647 -3.529 1.00 . A A . 10 ASP OD2 1 1 12 4925 1 1 11 ASP C C 0.820 5.107 -0.025 1.00 . A A . 11 ASP C 1 1 12 4926 1 1 11 ASP CA C 0.879 4.741 -1.491 1.00 . A A . 11 ASP CA 1 1 12 4927 1 1 11 ASP CB C 2.340 4.831 -1.954 1.00 . A A . 11 ASP CB 1 1 12 4928 1 1 11 ASP CG C 2.561 4.465 -3.402 1.00 . A A . 11 ASP CG 1 1 12 4929 1 1 11 ASP H H 0.406 6.288 -2.889 1.00 . A A . 11 ASP H 1 1 12 4930 1 1 11 ASP HA H 0.529 3.727 -1.622 1.00 . A A . 11 ASP HA 1 1 12 4931 1 1 11 ASP HB2 H 2.682 5.845 -1.813 1.00 . A A . 11 ASP HB2 1 1 12 4932 1 1 11 ASP HB3 H 2.939 4.177 -1.337 1.00 . A A . 11 ASP HB3 1 1 12 4933 1 1 11 ASP N N 0.013 5.636 -2.269 1.00 . A A . 11 ASP N 1 1 12 4934 1 1 11 ASP O O 0.793 4.242 0.859 1.00 . A A . 11 ASP O 1 1 12 4935 1 1 11 ASP OD1 O 2.553 3.278 -3.743 1.00 . A A . 11 ASP OD1 1 1 12 4936 1 1 11 ASP OD2 O 2.761 5.374 -4.226 1.00 . A A . 11 ASP OD2 1 1 12 4937 1 1 12 TYR C C -0.696 6.830 2.147 1.00 . A A . 12 TYR C 1 1 12 4938 1 1 12 TYR CA C 0.716 6.875 1.602 1.00 . A A . 12 TYR CA 1 1 12 4939 1 1 12 TYR CB C 1.333 8.270 1.717 1.00 . A A . 12 TYR CB 1 1 12 4940 1 1 12 TYR CD1 C 3.152 8.670 0.007 1.00 . A A . 12 TYR CD1 1 1 12 4941 1 1 12 TYR CD2 C 3.800 8.044 2.207 1.00 . A A . 12 TYR CD2 1 1 12 4942 1 1 12 TYR CE1 C 4.476 8.721 -0.374 1.00 . A A . 12 TYR CE1 1 1 12 4943 1 1 12 TYR CE2 C 5.128 8.093 1.832 1.00 . A A . 12 TYR CE2 1 1 12 4944 1 1 12 TYR CG C 2.790 8.331 1.303 1.00 . A A . 12 TYR CG 1 1 12 4945 1 1 12 TYR CZ C 5.458 8.432 0.541 1.00 . A A . 12 TYR CZ 1 1 12 4946 1 1 12 TYR H H 0.696 7.060 -0.483 1.00 . A A . 12 TYR H 1 1 12 4947 1 1 12 TYR HA H 1.304 6.184 2.185 1.00 . A A . 12 TYR HA 1 1 12 4948 1 1 12 TYR HB2 H 0.785 8.948 1.081 1.00 . A A . 12 TYR HB2 1 1 12 4949 1 1 12 TYR HB3 H 1.262 8.603 2.743 1.00 . A A . 12 TYR HB3 1 1 12 4950 1 1 12 TYR HD1 H 2.377 8.896 -0.712 1.00 . A A . 12 TYR HD1 1 1 12 4951 1 1 12 TYR HD2 H 3.538 7.778 3.221 1.00 . A A . 12 TYR HD2 1 1 12 4952 1 1 12 TYR HE1 H 4.741 8.986 -1.386 1.00 . A A . 12 TYR HE1 1 1 12 4953 1 1 12 TYR HE2 H 5.902 7.866 2.551 1.00 . A A . 12 TYR HE2 1 1 12 4954 1 1 12 TYR HH H 7.181 7.615 0.350 1.00 . A A . 12 TYR HH 1 1 12 4955 1 1 12 TYR N N 0.748 6.396 0.245 1.00 . A A . 12 TYR N 1 1 12 4956 1 1 12 TYR O O -0.923 7.042 3.326 1.00 . A A . 12 TYR O 1 1 12 4957 1 1 12 TYR OH O 6.785 8.481 0.161 1.00 . A A . 12 TYR OH 1 1 12 4958 1 1 13 ASP C C -3.185 4.921 2.270 1.00 . A A . 13 ASP C 1 1 12 4959 1 1 13 ASP CA C -3.039 6.299 1.636 1.00 . A A . 13 ASP CA 1 1 12 4960 1 1 13 ASP CB C -3.916 6.446 0.370 1.00 . A A . 13 ASP CB 1 1 12 4961 1 1 13 ASP CG C -5.374 6.026 0.513 1.00 . A A . 13 ASP CG 1 1 12 4962 1 1 13 ASP H H -1.375 6.365 0.336 1.00 . A A . 13 ASP H 1 1 12 4963 1 1 13 ASP HA H -3.311 7.053 2.360 1.00 . A A . 13 ASP HA 1 1 12 4964 1 1 13 ASP HB2 H -3.909 7.482 0.066 1.00 . A A . 13 ASP HB2 1 1 12 4965 1 1 13 ASP HB3 H -3.468 5.860 -0.418 1.00 . A A . 13 ASP HB3 1 1 12 4966 1 1 13 ASP N N -1.633 6.499 1.273 1.00 . A A . 13 ASP N 1 1 12 4967 1 1 13 ASP O O -4.147 4.632 2.963 1.00 . A A . 13 ASP O 1 1 12 4968 1 1 13 ASP OD1 O -5.800 5.108 -0.213 1.00 . A A . 13 ASP OD1 1 1 12 4969 1 1 13 ASP OD2 O -6.120 6.634 1.304 1.00 . A A . 13 ASP OD2 1 1 12 4970 1 1 14 CYS C C -1.383 2.782 3.948 1.00 . A A . 14 CYS C 1 1 12 4971 1 1 14 CYS CA C -2.119 2.772 2.617 1.00 . A A . 14 CYS CA 1 1 12 4972 1 1 14 CYS CB C -1.405 1.857 1.644 1.00 . A A . 14 CYS CB 1 1 12 4973 1 1 14 CYS H H -1.424 4.409 1.518 1.00 . A A . 14 CYS H 1 1 12 4974 1 1 14 CYS HA H -3.127 2.412 2.760 1.00 . A A . 14 CYS HA 1 1 12 4975 1 1 14 CYS HB2 H -0.394 2.212 1.506 1.00 . A A . 14 CYS HB2 1 1 12 4976 1 1 14 CYS HB3 H -1.381 0.859 2.053 1.00 . A A . 14 CYS HB3 1 1 12 4977 1 1 14 CYS N N -2.176 4.104 2.067 1.00 . A A . 14 CYS N 1 1 12 4978 1 1 14 CYS O O -0.380 3.510 4.108 1.00 . A A . 14 CYS O 1 1 12 4979 1 1 14 CYS SG S -2.195 1.784 0.019 1.00 . A A . 14 CYS SG 1 1 12 4980 1 1 15 CYS C C 0.076 1.242 6.194 1.00 . A A . 15 CYS C 1 1 12 4981 1 1 15 CYS CA C -1.309 1.887 6.232 1.00 . A A . 15 CYS CA 1 1 12 4982 1 1 15 CYS CB C -2.217 1.022 7.116 1.00 . A A . 15 CYS CB 1 1 12 4983 1 1 15 CYS H H -2.669 1.448 4.676 1.00 . A A . 15 CYS H 1 1 12 4984 1 1 15 CYS HA H -1.249 2.876 6.660 1.00 . A A . 15 CYS HA 1 1 12 4985 1 1 15 CYS HB2 H -2.194 0.007 6.748 1.00 . A A . 15 CYS HB2 1 1 12 4986 1 1 15 CYS HB3 H -1.833 1.035 8.126 1.00 . A A . 15 CYS HB3 1 1 12 4987 1 1 15 CYS N N -1.875 1.993 4.887 1.00 . A A . 15 CYS N 1 1 12 4988 1 1 15 CYS O O 0.433 0.577 5.213 1.00 . A A . 15 CYS O 1 1 12 4989 1 1 15 CYS SG S -3.970 1.533 7.178 1.00 . A A . 15 CYS SG 1 1 12 4990 1 1 16 GLY C C 3.093 1.133 6.242 1.00 . A A . 16 GLY C 1 1 12 4991 1 1 16 GLY CA C 2.152 0.842 7.389 1.00 . A A . 16 GLY CA 1 1 12 4992 1 1 16 GLY H H 0.555 2.112 7.925 1.00 . A A . 16 GLY H 1 1 12 4993 1 1 16 GLY HA2 H 2.601 1.181 8.311 1.00 . A A . 16 GLY HA2 1 1 12 4994 1 1 16 GLY HA3 H 2.001 -0.225 7.454 1.00 . A A . 16 GLY HA3 1 1 12 4995 1 1 16 GLY N N 0.854 1.474 7.240 1.00 . A A . 16 GLY N 1 1 12 4996 1 1 16 GLY O O 3.046 2.206 5.645 1.00 . A A . 16 GLY O 1 1 12 4997 1 1 17 SER C C 4.285 -0.141 3.473 1.00 . A A . 17 SER C 1 1 12 4998 1 1 17 SER CA C 4.855 0.310 4.826 1.00 . A A . 17 SER CA 1 1 12 4999 1 1 17 SER CB C 6.110 -0.477 5.204 1.00 . A A . 17 SER CB 1 1 12 5000 1 1 17 SER H H 3.810 -0.708 6.326 1.00 . A A . 17 SER H 1 1 12 5001 1 1 17 SER HA H 5.112 1.356 4.760 1.00 . A A . 17 SER HA 1 1 12 5002 1 1 17 SER HB2 H 6.739 -0.589 4.334 1.00 . A A . 17 SER HB2 1 1 12 5003 1 1 17 SER HB3 H 6.651 0.053 5.976 1.00 . A A . 17 SER HB3 1 1 12 5004 1 1 17 SER HG H 5.632 -1.676 6.644 1.00 . A A . 17 SER HG 1 1 12 5005 1 1 17 SER N N 3.879 0.164 5.881 1.00 . A A . 17 SER N 1 1 12 5006 1 1 17 SER O O 5.025 -0.344 2.505 1.00 . A A . 17 SER O 1 1 12 5007 1 1 17 SER OG O 5.766 -1.772 5.692 1.00 . A A . 17 SER OG 1 1 12 5008 1 1 18 LEU C C 2.341 0.403 1.137 1.00 . A A . 18 LEU C 1 1 12 5009 1 1 18 LEU CA C 2.275 -0.674 2.201 1.00 . A A . 18 LEU CA 1 1 12 5010 1 1 18 LEU CB C 0.816 -0.987 2.488 1.00 . A A . 18 LEU CB 1 1 12 5011 1 1 18 LEU CD1 C -0.958 -2.180 3.726 1.00 . A A . 18 LEU CD1 1 1 12 5012 1 1 18 LEU CD2 C 1.090 -3.411 3.052 1.00 . A A . 18 LEU CD2 1 1 12 5013 1 1 18 LEU CG C 0.529 -2.077 3.508 1.00 . A A . 18 LEU CG 1 1 12 5014 1 1 18 LEU H H 2.422 -0.047 4.205 1.00 . A A . 18 LEU H 1 1 12 5015 1 1 18 LEU HA H 2.753 -1.568 1.831 1.00 . A A . 18 LEU HA 1 1 12 5016 1 1 18 LEU HB2 H 0.355 -0.078 2.844 1.00 . A A . 18 LEU HB2 1 1 12 5017 1 1 18 LEU HB3 H 0.344 -1.263 1.557 1.00 . A A . 18 LEU HB3 1 1 12 5018 1 1 18 LEU HD11 H -1.166 -2.963 4.441 1.00 . A A . 18 LEU HD11 1 1 12 5019 1 1 18 LEU HD12 H -1.437 -2.413 2.786 1.00 . A A . 18 LEU HD12 1 1 12 5020 1 1 18 LEU HD13 H -1.335 -1.240 4.099 1.00 . A A . 18 LEU HD13 1 1 12 5021 1 1 18 LEU HD21 H 0.678 -3.659 2.086 1.00 . A A . 18 LEU HD21 1 1 12 5022 1 1 18 LEU HD22 H 0.817 -4.178 3.759 1.00 . A A . 18 LEU HD22 1 1 12 5023 1 1 18 LEU HD23 H 2.165 -3.351 2.981 1.00 . A A . 18 LEU HD23 1 1 12 5024 1 1 18 LEU HG H 0.988 -1.812 4.450 1.00 . A A . 18 LEU HG 1 1 12 5025 1 1 18 LEU N N 2.959 -0.254 3.410 1.00 . A A . 18 LEU N 1 1 12 5026 1 1 18 LEU O O 2.517 1.600 1.444 1.00 . A A . 18 LEU O 1 1 12 5027 1 1 19 CYS C C 0.957 0.631 -2.048 1.00 . A A . 19 CYS C 1 1 12 5028 1 1 19 CYS CA C 2.208 0.842 -1.219 1.00 . A A . 19 CYS CA 1 1 12 5029 1 1 19 CYS CB C 3.457 0.541 -2.035 1.00 . A A . 19 CYS CB 1 1 12 5030 1 1 19 CYS H H 2.000 -0.965 -0.261 1.00 . A A . 19 CYS H 1 1 12 5031 1 1 19 CYS HA H 2.249 1.865 -0.879 1.00 . A A . 19 CYS HA 1 1 12 5032 1 1 19 CYS HB2 H 3.454 -0.511 -2.281 1.00 . A A . 19 CYS HB2 1 1 12 5033 1 1 19 CYS HB3 H 3.439 1.115 -2.948 1.00 . A A . 19 CYS HB3 1 1 12 5034 1 1 19 CYS N N 2.173 -0.015 -0.077 1.00 . A A . 19 CYS N 1 1 12 5035 1 1 19 CYS O O 0.156 -0.267 -1.758 1.00 . A A . 19 CYS O 1 1 12 5036 1 1 19 CYS SG S 5.006 0.899 -1.147 1.00 . A A . 19 CYS SG 1 1 12 5037 1 1 20 CYS C C -0.064 0.623 -5.175 1.00 . A A . 20 CYS C 1 1 12 5038 1 1 20 CYS CA C -0.370 1.376 -3.889 1.00 . A A . 20 CYS CA 1 1 12 5039 1 1 20 CYS CB C -0.848 2.795 -4.196 1.00 . A A . 20 CYS CB 1 1 12 5040 1 1 20 CYS H H 1.486 2.096 -3.286 1.00 . A A . 20 CYS H 1 1 12 5041 1 1 20 CYS HA H -1.148 0.859 -3.350 1.00 . A A . 20 CYS HA 1 1 12 5042 1 1 20 CYS HB2 H -1.015 3.317 -3.265 1.00 . A A . 20 CYS HB2 1 1 12 5043 1 1 20 CYS HB3 H -0.080 3.310 -4.750 1.00 . A A . 20 CYS HB3 1 1 12 5044 1 1 20 CYS N N 0.792 1.429 -3.058 1.00 . A A . 20 CYS N 1 1 12 5045 1 1 20 CYS O O 0.859 0.975 -5.922 1.00 . A A . 20 CYS O 1 1 12 5046 1 1 20 CYS SG S -2.392 2.896 -5.155 1.00 . A A . 20 CYS SG 1 1 12 5047 1 1 21 VAL C C -2.123 -1.641 -6.986 1.00 . A A . 21 VAL C 1 1 12 5048 1 1 21 VAL CA C -0.686 -1.235 -6.588 1.00 . A A . 21 VAL CA 1 1 12 5049 1 1 21 VAL CB C 0.254 -2.473 -6.306 1.00 . A A . 21 VAL CB 1 1 12 5050 1 1 21 VAL CG1 C -0.250 -3.357 -5.176 1.00 . A A . 21 VAL CG1 1 1 12 5051 1 1 21 VAL CG2 C 0.539 -3.283 -7.563 1.00 . A A . 21 VAL CG2 1 1 12 5052 1 1 21 VAL H H -1.451 -0.706 -4.713 1.00 . A A . 21 VAL H 1 1 12 5053 1 1 21 VAL HA H -0.267 -0.617 -7.369 1.00 . A A . 21 VAL HA 1 1 12 5054 1 1 21 VAL HB H 1.191 -2.058 -5.960 1.00 . A A . 21 VAL HB 1 1 12 5055 1 1 21 VAL HG11 H 0.423 -4.190 -5.044 1.00 . A A . 21 VAL HG11 1 1 12 5056 1 1 21 VAL HG12 H -1.241 -3.717 -5.410 1.00 . A A . 21 VAL HG12 1 1 12 5057 1 1 21 VAL HG13 H -0.280 -2.774 -4.267 1.00 . A A . 21 VAL HG13 1 1 12 5058 1 1 21 VAL HG21 H 1.049 -2.656 -8.279 1.00 . A A . 21 VAL HG21 1 1 12 5059 1 1 21 VAL HG22 H -0.393 -3.628 -7.985 1.00 . A A . 21 VAL HG22 1 1 12 5060 1 1 21 VAL HG23 H 1.161 -4.130 -7.314 1.00 . A A . 21 VAL HG23 1 1 12 5061 1 1 21 VAL N N -0.797 -0.427 -5.396 1.00 . A A . 21 VAL N 1 1 12 5062 1 1 21 VAL O O -2.417 -2.751 -7.413 1.00 . A A . 21 VAL O 1 1 12 5063 1 1 22 GLY C C -5.036 -1.204 -5.699 1.00 . A A . 22 GLY C 1 1 12 5064 1 1 22 GLY CA C -4.434 -0.940 -7.034 1.00 . A A . 22 GLY CA 1 1 12 5065 1 1 22 GLY H H -2.717 0.201 -6.565 1.00 . A A . 22 GLY H 1 1 12 5066 1 1 22 GLY HA2 H -4.904 -0.080 -7.487 1.00 . A A . 22 GLY HA2 1 1 12 5067 1 1 22 GLY HA3 H -4.564 -1.812 -7.655 1.00 . A A . 22 GLY HA3 1 1 12 5068 1 1 22 GLY N N -3.020 -0.693 -6.833 1.00 . A A . 22 GLY N 1 1 12 5069 1 1 22 GLY O O -6.014 -0.575 -5.285 1.00 . A A . 22 GLY O 1 1 12 5070 1 1 23 ILE C C -3.464 -2.031 -2.834 1.00 . A A . 23 ILE C 1 1 12 5071 1 1 23 ILE CA C -4.684 -2.401 -3.655 1.00 . A A . 23 ILE CA 1 1 12 5072 1 1 23 ILE CB C -5.017 -3.902 -3.440 1.00 . A A . 23 ILE CB 1 1 12 5073 1 1 23 ILE CD1 C -4.068 -6.279 -3.685 1.00 . A A . 23 ILE CD1 1 1 12 5074 1 1 23 ILE CG1 C -3.868 -4.801 -3.948 1.00 . A A . 23 ILE CG1 1 1 12 5075 1 1 23 ILE CG2 C -6.339 -4.257 -4.111 1.00 . A A . 23 ILE CG2 1 1 12 5076 1 1 23 ILE H H -3.660 -2.571 -5.456 1.00 . A A . 23 ILE H 1 1 12 5077 1 1 23 ILE HA H -5.518 -1.796 -3.337 1.00 . A A . 23 ILE HA 1 1 12 5078 1 1 23 ILE HB H -5.139 -4.059 -2.378 1.00 . A A . 23 ILE HB 1 1 12 5079 1 1 23 ILE HD11 H -4.975 -6.610 -4.166 1.00 . A A . 23 ILE HD11 1 1 12 5080 1 1 23 ILE HD12 H -4.142 -6.443 -2.620 1.00 . A A . 23 ILE HD12 1 1 12 5081 1 1 23 ILE HD13 H -3.227 -6.831 -4.077 1.00 . A A . 23 ILE HD13 1 1 12 5082 1 1 23 ILE HG12 H -3.768 -4.672 -5.016 1.00 . A A . 23 ILE HG12 1 1 12 5083 1 1 23 ILE HG13 H -2.948 -4.496 -3.471 1.00 . A A . 23 ILE HG13 1 1 12 5084 1 1 23 ILE HG21 H -7.133 -3.658 -3.689 1.00 . A A . 23 ILE HG21 1 1 12 5085 1 1 23 ILE HG22 H -6.553 -5.303 -3.949 1.00 . A A . 23 ILE HG22 1 1 12 5086 1 1 23 ILE HG23 H -6.266 -4.065 -5.171 1.00 . A A . 23 ILE HG23 1 1 12 5087 1 1 23 ILE N N -4.394 -2.097 -5.010 1.00 . A A . 23 ILE N 1 1 12 5088 1 1 23 ILE O O -2.388 -1.783 -3.394 1.00 . A A . 23 ILE O 1 1 12 5089 1 1 24 CYS C C -1.763 -2.935 -0.382 1.00 . A A . 24 CYS C 1 1 12 5090 1 1 24 CYS CA C -2.541 -1.671 -0.672 1.00 . A A . 24 CYS CA 1 1 12 5091 1 1 24 CYS CB C -3.048 -1.035 0.607 1.00 . A A . 24 CYS CB 1 1 12 5092 1 1 24 CYS H H -4.541 -2.022 -1.201 1.00 . A A . 24 CYS H 1 1 12 5093 1 1 24 CYS HA H -1.884 -0.971 -1.168 1.00 . A A . 24 CYS HA 1 1 12 5094 1 1 24 CYS HB2 H -3.794 -1.679 1.050 1.00 . A A . 24 CYS HB2 1 1 12 5095 1 1 24 CYS HB3 H -2.225 -0.915 1.295 1.00 . A A . 24 CYS HB3 1 1 12 5096 1 1 24 CYS N N -3.629 -1.943 -1.562 1.00 . A A . 24 CYS N 1 1 12 5097 1 1 24 CYS O O -2.297 -3.891 0.207 1.00 . A A . 24 CYS O 1 1 12 5098 1 1 24 CYS SG S -3.801 0.593 0.344 1.00 . A A . 24 CYS SG 1 1 12 5099 1 1 25 ALA C C 1.789 -3.497 -0.646 1.00 . A A . 25 ALA C 1 1 12 5100 1 1 25 ALA CA C 0.380 -4.054 -0.652 1.00 . A A . 25 ALA CA 1 1 12 5101 1 1 25 ALA CB C 0.215 -5.068 -1.783 1.00 . A A . 25 ALA CB 1 1 12 5102 1 1 25 ALA H H -0.197 -2.156 -1.316 1.00 . A A . 25 ALA H 1 1 12 5103 1 1 25 ALA HA H 0.158 -4.527 0.292 1.00 . A A . 25 ALA HA 1 1 12 5104 1 1 25 ALA HB1 H -0.792 -5.459 -1.773 1.00 . A A . 25 ALA HB1 1 1 12 5105 1 1 25 ALA HB2 H 0.918 -5.876 -1.652 1.00 . A A . 25 ALA HB2 1 1 12 5106 1 1 25 ALA HB3 H 0.401 -4.581 -2.730 1.00 . A A . 25 ALA HB3 1 1 12 5107 1 1 25 ALA N N -0.531 -2.948 -0.833 1.00 . A A . 25 ALA N 1 1 12 5108 1 1 25 ALA O O 2.045 -2.483 -1.294 1.00 . A A . 25 ALA O 1 1 12 5109 1 1 26 LYS C C 4.803 -4.137 -1.065 1.00 . A A . 26 LYS C 1 1 12 5110 1 1 26 LYS CA C 4.048 -3.605 0.130 1.00 . A A . 26 LYS CA 1 1 12 5111 1 1 26 LYS CB C 4.767 -3.994 1.430 1.00 . A A . 26 LYS CB 1 1 12 5112 1 1 26 LYS CD C 6.911 -3.862 2.807 1.00 . A A . 26 LYS CD 1 1 12 5113 1 1 26 LYS CE C 7.050 -5.377 2.917 1.00 . A A . 26 LYS CE 1 1 12 5114 1 1 26 LYS CG C 6.191 -3.441 1.527 1.00 . A A . 26 LYS CG 1 1 12 5115 1 1 26 LYS H H 2.442 -4.917 0.580 1.00 . A A . 26 LYS H 1 1 12 5116 1 1 26 LYS HA H 4.003 -2.529 0.053 1.00 . A A . 26 LYS HA 1 1 12 5117 1 1 26 LYS HB2 H 4.200 -3.634 2.275 1.00 . A A . 26 LYS HB2 1 1 12 5118 1 1 26 LYS HB3 H 4.824 -5.072 1.473 1.00 . A A . 26 LYS HB3 1 1 12 5119 1 1 26 LYS HD2 H 7.897 -3.422 2.814 1.00 . A A . 26 LYS HD2 1 1 12 5120 1 1 26 LYS HD3 H 6.350 -3.497 3.654 1.00 . A A . 26 LYS HD3 1 1 12 5121 1 1 26 LYS HE2 H 6.070 -5.805 3.065 1.00 . A A . 26 LYS HE2 1 1 12 5122 1 1 26 LYS HE3 H 7.470 -5.764 2.002 1.00 . A A . 26 LYS HE3 1 1 12 5123 1 1 26 LYS HG2 H 6.759 -3.798 0.680 1.00 . A A . 26 LYS HG2 1 1 12 5124 1 1 26 LYS HG3 H 6.142 -2.363 1.489 1.00 . A A . 26 LYS HG3 1 1 12 5125 1 1 26 LYS HZ1 H 8.876 -5.423 3.925 1.00 . A A . 26 LYS HZ1 1 1 12 5126 1 1 26 LYS HZ2 H 7.957 -6.817 4.102 1.00 . A A . 26 LYS HZ2 1 1 12 5127 1 1 26 LYS HZ3 H 7.542 -5.438 4.963 1.00 . A A . 26 LYS HZ3 1 1 12 5128 1 1 26 LYS N N 2.689 -4.103 0.087 1.00 . A A . 26 LYS N 1 1 12 5129 1 1 26 LYS NZ N 7.907 -5.779 4.051 1.00 . A A . 26 LYS NZ 1 1 12 5130 1 1 26 LYS O O 4.891 -5.352 -1.262 1.00 . A A . 26 LYS O 1 1 12 5131 1 1 27 THR C C 7.468 -4.097 -2.696 1.00 . A A . 27 THR C 1 1 12 5132 1 1 27 THR CA C 6.046 -3.603 -3.034 1.00 . A A . 27 THR CA 1 1 12 5133 1 1 27 THR CB C 6.076 -2.382 -3.967 1.00 . A A . 27 THR CB 1 1 12 5134 1 1 27 THR CG2 C 4.733 -2.206 -4.662 1.00 . A A . 27 THR CG2 1 1 12 5135 1 1 27 THR H H 5.241 -2.294 -1.664 1.00 . A A . 27 THR H 1 1 12 5136 1 1 27 THR HA H 5.504 -4.394 -3.530 1.00 . A A . 27 THR HA 1 1 12 5137 1 1 27 THR HB H 6.848 -2.524 -4.707 1.00 . A A . 27 THR HB 1 1 12 5138 1 1 27 THR HG1 H 7.319 -1.067 -3.121 1.00 . A A . 27 THR HG1 1 1 12 5139 1 1 27 THR HG21 H 4.777 -1.338 -5.302 1.00 . A A . 27 THR HG21 1 1 12 5140 1 1 27 THR HG22 H 3.960 -2.069 -3.920 1.00 . A A . 27 THR HG22 1 1 12 5141 1 1 27 THR HG23 H 4.510 -3.080 -5.256 1.00 . A A . 27 THR HG23 1 1 12 5142 1 1 27 THR N N 5.321 -3.252 -1.853 1.00 . A A . 27 THR N 1 1 12 5143 1 1 27 THR O O 7.860 -4.114 -1.510 1.00 . A A . 27 THR O 1 1 12 5144 1 1 27 THR OG1 O 6.359 -1.199 -3.186 1.00 . A A . 27 THR OG1 1 1 12 5145 1 1 28 ILE C C 10.430 -3.865 -2.929 1.00 . A A . 28 ILE C 1 1 12 5146 1 1 28 ILE CA C 9.603 -4.989 -3.537 1.00 . A A . 28 ILE CA 1 1 12 5147 1 1 28 ILE CB C 10.247 -5.433 -4.893 1.00 . A A . 28 ILE CB 1 1 12 5148 1 1 28 ILE CD1 C 9.272 -7.818 -4.754 1.00 . A A . 28 ILE CD1 1 1 12 5149 1 1 28 ILE CG1 C 9.421 -6.547 -5.573 1.00 . A A . 28 ILE CG1 1 1 12 5150 1 1 28 ILE CG2 C 11.700 -5.883 -4.703 1.00 . A A . 28 ILE CG2 1 1 12 5151 1 1 28 ILE H H 7.850 -4.497 -4.629 1.00 . A A . 28 ILE H 1 1 12 5152 1 1 28 ILE HA H 9.586 -5.824 -2.853 1.00 . A A . 28 ILE HA 1 1 12 5153 1 1 28 ILE HB H 10.260 -4.569 -5.541 1.00 . A A . 28 ILE HB 1 1 12 5154 1 1 28 ILE HD11 H 8.750 -7.594 -3.836 1.00 . A A . 28 ILE HD11 1 1 12 5155 1 1 28 ILE HD12 H 10.250 -8.211 -4.523 1.00 . A A . 28 ILE HD12 1 1 12 5156 1 1 28 ILE HD13 H 8.713 -8.548 -5.319 1.00 . A A . 28 ILE HD13 1 1 12 5157 1 1 28 ILE HG12 H 8.428 -6.177 -5.777 1.00 . A A . 28 ILE HG12 1 1 12 5158 1 1 28 ILE HG13 H 9.895 -6.809 -6.509 1.00 . A A . 28 ILE HG13 1 1 12 5159 1 1 28 ILE HG21 H 12.112 -6.181 -5.656 1.00 . A A . 28 ILE HG21 1 1 12 5160 1 1 28 ILE HG22 H 11.730 -6.719 -4.021 1.00 . A A . 28 ILE HG22 1 1 12 5161 1 1 28 ILE HG23 H 12.279 -5.066 -4.297 1.00 . A A . 28 ILE HG23 1 1 12 5162 1 1 28 ILE N N 8.223 -4.513 -3.720 1.00 . A A . 28 ILE N 1 1 12 5163 1 1 28 ILE O O 11.191 -4.062 -1.978 1.00 . A A . 28 ILE O 1 1 12 5164 1 1 29 ALA C C 9.822 -0.687 -2.247 1.00 . A A . 29 ALA C 1 1 12 5165 1 1 29 ALA CA C 10.875 -1.517 -2.962 1.00 . A A . 29 ALA CA 1 1 12 5166 1 1 29 ALA CB C 11.493 -0.728 -4.096 1.00 . A A . 29 ALA CB 1 1 12 5167 1 1 29 ALA H H 9.658 -2.611 -4.248 1.00 . A A . 29 ALA H 1 1 12 5168 1 1 29 ALA HA H 11.651 -1.812 -2.272 1.00 . A A . 29 ALA HA 1 1 12 5169 1 1 29 ALA HB1 H 11.962 0.156 -3.690 1.00 . A A . 29 ALA HB1 1 1 12 5170 1 1 29 ALA HB2 H 10.723 -0.439 -4.797 1.00 . A A . 29 ALA HB2 1 1 12 5171 1 1 29 ALA HB3 H 12.233 -1.333 -4.595 1.00 . A A . 29 ALA HB3 1 1 12 5172 1 1 29 ALA N N 10.248 -2.693 -3.468 1.00 . A A . 29 ALA N 1 1 12 5173 1 1 29 ALA O O 8.843 -0.263 -2.871 1.00 . A A . 29 ALA O 1 1 12 5174 1 1 30 PRO C C 8.965 1.752 -0.603 1.00 . A A . 30 PRO C 1 1 12 5175 1 1 30 PRO CA C 9.014 0.291 -0.135 1.00 . A A . 30 PRO CA 1 1 12 5176 1 1 30 PRO CB C 9.564 0.209 1.291 1.00 . A A . 30 PRO CB 1 1 12 5177 1 1 30 PRO CD C 10.995 -1.114 -0.075 1.00 . A A . 30 PRO CD 1 1 12 5178 1 1 30 PRO CG C 10.412 -1.013 1.302 1.00 . A A . 30 PRO CG 1 1 12 5179 1 1 30 PRO HA H 8.018 -0.126 -0.169 1.00 . A A . 30 PRO HA 1 1 12 5180 1 1 30 PRO HB2 H 10.143 1.097 1.492 1.00 . A A . 30 PRO HB2 1 1 12 5181 1 1 30 PRO HB3 H 8.749 0.134 1.998 1.00 . A A . 30 PRO HB3 1 1 12 5182 1 1 30 PRO HD2 H 11.920 -0.562 -0.145 1.00 . A A . 30 PRO HD2 1 1 12 5183 1 1 30 PRO HD3 H 11.148 -2.150 -0.335 1.00 . A A . 30 PRO HD3 1 1 12 5184 1 1 30 PRO HG2 H 11.195 -0.912 2.038 1.00 . A A . 30 PRO HG2 1 1 12 5185 1 1 30 PRO HG3 H 9.805 -1.880 1.515 1.00 . A A . 30 PRO HG3 1 1 12 5186 1 1 30 PRO N N 9.950 -0.514 -0.922 1.00 . A A . 30 PRO N 1 1 12 5187 1 1 30 PRO O O 10.004 2.381 -0.881 1.00 . A A . 30 PRO O 1 1 12 5188 1 1 31 CYS C C 7.546 4.619 0.011 1.00 . A A . 31 CYS C 1 1 12 5189 1 1 31 CYS CA C 7.506 3.625 -1.146 1.00 . A A . 31 CYS CA 1 1 12 5190 1 1 31 CYS CB C 6.142 3.647 -1.802 1.00 . A A . 31 CYS CB 1 1 12 5191 1 1 31 CYS H H 6.982 1.718 -0.479 1.00 . A A . 31 CYS H 1 1 12 5192 1 1 31 CYS HA H 8.246 3.890 -1.884 1.00 . A A . 31 CYS HA 1 1 12 5193 1 1 31 CYS HB2 H 5.853 4.670 -1.994 1.00 . A A . 31 CYS HB2 1 1 12 5194 1 1 31 CYS HB3 H 6.173 3.096 -2.730 1.00 . A A . 31 CYS HB3 1 1 12 5195 1 1 31 CYS N N 7.768 2.267 -0.694 1.00 . A A . 31 CYS N 1 1 12 5196 1 1 31 CYS O O 7.449 5.838 -0.191 1.00 . A A . 31 CYS O 1 1 12 5197 1 1 31 CYS SG S 4.866 2.886 -0.743 1.00 . A A . 31 CYS SG 1 1 12 5198 1 1 32 LYS C C 9.138 4.830 2.923 1.00 . A A . 32 LYS C 1 1 12 5199 1 1 32 LYS CA C 7.748 4.949 2.368 1.00 . A A . 32 LYS CA 1 1 12 5200 1 1 32 LYS CB C 6.708 4.599 3.447 1.00 . A A . 32 LYS CB 1 1 12 5201 1 1 32 LYS CD C 4.385 4.708 4.249 1.00 . A A . 32 LYS CD 1 1 12 5202 1 1 32 LYS CE C 2.925 4.816 3.902 1.00 . A A . 32 LYS CE 1 1 12 5203 1 1 32 LYS CG C 5.268 4.718 3.025 1.00 . A A . 32 LYS CG 1 1 12 5204 1 1 32 LYS H H 7.717 3.141 1.332 1.00 . A A . 32 LYS H 1 1 12 5205 1 1 32 LYS HA H 7.598 5.967 2.040 1.00 . A A . 32 LYS HA 1 1 12 5206 1 1 32 LYS HB2 H 6.828 3.578 3.769 1.00 . A A . 32 LYS HB2 1 1 12 5207 1 1 32 LYS HB3 H 6.858 5.252 4.294 1.00 . A A . 32 LYS HB3 1 1 12 5208 1 1 32 LYS HD2 H 4.544 3.789 4.794 1.00 . A A . 32 LYS HD2 1 1 12 5209 1 1 32 LYS HD3 H 4.660 5.546 4.871 1.00 . A A . 32 LYS HD3 1 1 12 5210 1 1 32 LYS HE2 H 2.382 5.130 4.779 1.00 . A A . 32 LYS HE2 1 1 12 5211 1 1 32 LYS HE3 H 2.877 5.572 3.135 1.00 . A A . 32 LYS HE3 1 1 12 5212 1 1 32 LYS HG2 H 5.129 5.643 2.486 1.00 . A A . 32 LYS HG2 1 1 12 5213 1 1 32 LYS HG3 H 5.007 3.881 2.393 1.00 . A A . 32 LYS HG3 1 1 12 5214 1 1 32 LYS HZ1 H 2.768 3.209 2.490 1.00 . A A . 32 LYS HZ1 1 1 12 5215 1 1 32 LYS HZ2 H 1.326 3.640 3.265 1.00 . A A . 32 LYS HZ2 1 1 12 5216 1 1 32 LYS HZ3 H 2.509 2.825 4.116 1.00 . A A . 32 LYS HZ3 1 1 12 5217 1 1 32 LYS N N 7.654 4.109 1.213 1.00 . A A . 32 LYS N 1 1 12 5218 1 1 32 LYS NZ N 2.356 3.551 3.384 1.00 . A A . 32 LYS NZ 1 1 12 5219 1 1 32 LYS O O 9.382 3.930 3.727 1.00 . A A . 32 LYS O 1 1 12 5220 1 1 32 LYS OXT O 10.012 5.600 2.504 1.00 . A A . 32 LYS OXT 1 1 13 5221 1 1 1 CYS C C -6.258 3.319 5.293 1.00 . A A . 1 CYS C 1 1 13 5222 1 1 1 CYS CA C -5.726 4.659 5.758 1.00 . A A . 1 CYS CA 1 1 13 5223 1 1 1 CYS CB C -4.219 4.611 6.091 1.00 . A A . 1 CYS CB 1 1 13 5224 1 1 1 CYS H1 H -6.148 6.012 7.275 1.00 . A A . 1 CYS H1 1 1 13 5225 1 1 1 CYS H2 H -6.430 4.369 7.644 1.00 . A A . 1 CYS H2 1 1 13 5226 1 1 1 CYS H3 H -7.484 5.192 6.631 1.00 . A A . 1 CYS H3 1 1 13 5227 1 1 1 CYS HA H -5.898 5.365 4.960 1.00 . A A . 1 CYS HA 1 1 13 5228 1 1 1 CYS HB2 H -3.694 4.147 5.268 1.00 . A A . 1 CYS HB2 1 1 13 5229 1 1 1 CYS HB3 H -3.860 5.623 6.207 1.00 . A A . 1 CYS HB3 1 1 13 5230 1 1 1 CYS N N -6.486 5.102 6.909 1.00 . A A . 1 CYS N 1 1 13 5231 1 1 1 CYS O O -7.085 2.709 5.977 1.00 . A A . 1 CYS O 1 1 13 5232 1 1 1 CYS SG S -3.774 3.680 7.610 1.00 . A A . 1 CYS SG 1 1 13 5233 1 1 2 ALA C C -5.318 0.518 4.051 1.00 . A A . 2 ALA C 1 1 13 5234 1 1 2 ALA CA C -6.283 1.605 3.615 1.00 . A A . 2 ALA CA 1 1 13 5235 1 1 2 ALA CB C -6.391 1.666 2.106 1.00 . A A . 2 ALA CB 1 1 13 5236 1 1 2 ALA H H -5.216 3.414 3.593 1.00 . A A . 2 ALA H 1 1 13 5237 1 1 2 ALA HA H -7.258 1.396 4.028 1.00 . A A . 2 ALA HA 1 1 13 5238 1 1 2 ALA HB1 H -7.076 2.450 1.824 1.00 . A A . 2 ALA HB1 1 1 13 5239 1 1 2 ALA HB2 H -6.755 0.721 1.730 1.00 . A A . 2 ALA HB2 1 1 13 5240 1 1 2 ALA HB3 H -5.419 1.870 1.682 1.00 . A A . 2 ALA HB3 1 1 13 5241 1 1 2 ALA N N -5.845 2.878 4.131 1.00 . A A . 2 ALA N 1 1 13 5242 1 1 2 ALA O O -4.090 0.698 3.980 1.00 . A A . 2 ALA O 1 1 13 5243 1 1 3 VAL C C -4.679 -2.611 3.849 1.00 . A A . 3 VAL C 1 1 13 5244 1 1 3 VAL CA C -5.017 -1.674 5.000 1.00 . A A . 3 VAL CA 1 1 13 5245 1 1 3 VAL CB C -5.682 -2.484 6.154 1.00 . A A . 3 VAL CB 1 1 13 5246 1 1 3 VAL CG1 C -6.046 -1.581 7.320 1.00 . A A . 3 VAL CG1 1 1 13 5247 1 1 3 VAL CG2 C -6.892 -3.263 5.663 1.00 . A A . 3 VAL CG2 1 1 13 5248 1 1 3 VAL H H -6.830 -0.681 4.558 1.00 . A A . 3 VAL H 1 1 13 5249 1 1 3 VAL HA H -4.097 -1.240 5.365 1.00 . A A . 3 VAL HA 1 1 13 5250 1 1 3 VAL HB H -4.948 -3.189 6.516 1.00 . A A . 3 VAL HB 1 1 13 5251 1 1 3 VAL HG11 H -6.508 -2.167 8.100 1.00 . A A . 3 VAL HG11 1 1 13 5252 1 1 3 VAL HG12 H -6.737 -0.822 6.983 1.00 . A A . 3 VAL HG12 1 1 13 5253 1 1 3 VAL HG13 H -5.154 -1.109 7.704 1.00 . A A . 3 VAL HG13 1 1 13 5254 1 1 3 VAL HG21 H -7.606 -2.570 5.242 1.00 . A A . 3 VAL HG21 1 1 13 5255 1 1 3 VAL HG22 H -7.342 -3.796 6.486 1.00 . A A . 3 VAL HG22 1 1 13 5256 1 1 3 VAL HG23 H -6.584 -3.963 4.900 1.00 . A A . 3 VAL HG23 1 1 13 5257 1 1 3 VAL N N -5.849 -0.582 4.532 1.00 . A A . 3 VAL N 1 1 13 5258 1 1 3 VAL O O -5.019 -2.335 2.686 1.00 . A A . 3 VAL O 1 1 13 5259 1 1 4 THR C C -4.834 -5.202 2.412 1.00 . A A . 4 THR C 1 1 13 5260 1 1 4 THR CA C -3.610 -4.685 3.204 1.00 . A A . 4 THR CA 1 1 13 5261 1 1 4 THR CB C -2.895 -5.859 3.912 1.00 . A A . 4 THR CB 1 1 13 5262 1 1 4 THR CG2 C -2.188 -6.744 2.897 1.00 . A A . 4 THR CG2 1 1 13 5263 1 1 4 THR H H -3.749 -3.818 5.105 1.00 . A A . 4 THR H 1 1 13 5264 1 1 4 THR HA H -2.918 -4.227 2.513 1.00 . A A . 4 THR HA 1 1 13 5265 1 1 4 THR HB H -3.618 -6.445 4.457 1.00 . A A . 4 THR HB 1 1 13 5266 1 1 4 THR HG1 H -2.355 -5.028 5.625 1.00 . A A . 4 THR HG1 1 1 13 5267 1 1 4 THR HG21 H -2.912 -7.144 2.203 1.00 . A A . 4 THR HG21 1 1 13 5268 1 1 4 THR HG22 H -1.687 -7.554 3.406 1.00 . A A . 4 THR HG22 1 1 13 5269 1 1 4 THR HG23 H -1.463 -6.153 2.355 1.00 . A A . 4 THR HG23 1 1 13 5270 1 1 4 THR N N -4.005 -3.690 4.169 1.00 . A A . 4 THR N 1 1 13 5271 1 1 4 THR O O -5.886 -5.526 2.993 1.00 . A A . 4 THR O 1 1 13 5272 1 1 4 THR OG1 O -1.907 -5.336 4.826 1.00 . A A . 4 THR OG1 1 1 13 5273 1 1 5 HIS C C -6.888 -4.689 -0.064 1.00 . A A . 5 HIS C 1 1 13 5274 1 1 5 HIS CA C -5.714 -5.647 0.136 1.00 . A A . 5 HIS CA 1 1 13 5275 1 1 5 HIS CB C -6.178 -7.096 0.399 1.00 . A A . 5 HIS CB 1 1 13 5276 1 1 5 HIS CD2 C -4.605 -8.620 -0.983 1.00 . A A . 5 HIS CD2 1 1 13 5277 1 1 5 HIS CE1 C -3.558 -9.608 0.631 1.00 . A A . 5 HIS CE1 1 1 13 5278 1 1 5 HIS CG C -5.110 -8.126 0.175 1.00 . A A . 5 HIS CG 1 1 13 5279 1 1 5 HIS H H -3.868 -4.796 0.726 1.00 . A A . 5 HIS H 1 1 13 5280 1 1 5 HIS HA H -5.190 -5.639 -0.808 1.00 . A A . 5 HIS HA 1 1 13 5281 1 1 5 HIS HB2 H -6.503 -7.181 1.424 1.00 . A A . 5 HIS HB2 1 1 13 5282 1 1 5 HIS HB3 H -7.005 -7.323 -0.257 1.00 . A A . 5 HIS HB3 1 1 13 5283 1 1 5 HIS HD1 H -4.586 -8.651 2.149 1.00 . A A . 5 HIS HD1 1 1 13 5284 1 1 5 HIS HD2 H -4.914 -8.341 -1.979 1.00 . A A . 5 HIS HD2 1 1 13 5285 1 1 5 HIS HE1 H -2.882 -10.240 1.188 1.00 . A A . 5 HIS HE1 1 1 13 5286 1 1 5 HIS N N -4.703 -5.172 1.090 1.00 . A A . 5 HIS N 1 1 13 5287 1 1 5 HIS ND1 N -4.435 -8.770 1.185 1.00 . A A . 5 HIS ND1 1 1 13 5288 1 1 5 HIS NE2 N -3.621 -9.559 -0.692 1.00 . A A . 5 HIS NE2 1 1 13 5289 1 1 5 HIS O O -7.786 -4.966 -0.871 1.00 . A A . 5 HIS O 1 1 13 5290 1 1 6 GLU C C -7.471 -1.684 -0.755 1.00 . A A . 6 GLU C 1 1 13 5291 1 1 6 GLU CA C -7.900 -2.550 0.405 1.00 . A A . 6 GLU CA 1 1 13 5292 1 1 6 GLU CB C -8.162 -1.671 1.621 1.00 . A A . 6 GLU CB 1 1 13 5293 1 1 6 GLU CD C -9.401 -1.319 3.736 1.00 . A A . 6 GLU CD 1 1 13 5294 1 1 6 GLU CG C -8.897 -2.333 2.748 1.00 . A A . 6 GLU CG 1 1 13 5295 1 1 6 GLU H H -6.205 -3.413 1.326 1.00 . A A . 6 GLU H 1 1 13 5296 1 1 6 GLU HA H -8.810 -3.060 0.126 1.00 . A A . 6 GLU HA 1 1 13 5297 1 1 6 GLU HB2 H -7.209 -1.361 2.027 1.00 . A A . 6 GLU HB2 1 1 13 5298 1 1 6 GLU HB3 H -8.718 -0.798 1.315 1.00 . A A . 6 GLU HB3 1 1 13 5299 1 1 6 GLU HG2 H -9.738 -2.875 2.345 1.00 . A A . 6 GLU HG2 1 1 13 5300 1 1 6 GLU HG3 H -8.230 -3.014 3.255 1.00 . A A . 6 GLU HG3 1 1 13 5301 1 1 6 GLU N N -6.893 -3.570 0.643 1.00 . A A . 6 GLU N 1 1 13 5302 1 1 6 GLU O O -6.287 -1.634 -1.078 1.00 . A A . 6 GLU O 1 1 13 5303 1 1 6 GLU OE1 O -10.586 -0.925 3.638 1.00 . A A . 6 GLU OE1 1 1 13 5304 1 1 6 GLU OE2 O -8.643 -0.870 4.610 1.00 . A A . 6 GLU OE2 1 1 13 5305 1 1 7 LYS C C -7.374 1.053 -2.038 1.00 . A A . 7 LYS C 1 1 13 5306 1 1 7 LYS CA C -8.155 -0.170 -2.501 1.00 . A A . 7 LYS CA 1 1 13 5307 1 1 7 LYS CB C -9.476 0.256 -3.121 1.00 . A A . 7 LYS CB 1 1 13 5308 1 1 7 LYS CD C -10.682 1.488 -4.914 1.00 . A A . 7 LYS CD 1 1 13 5309 1 1 7 LYS CE C -10.552 2.199 -6.245 1.00 . A A . 7 LYS CE 1 1 13 5310 1 1 7 LYS CG C -9.332 1.061 -4.379 1.00 . A A . 7 LYS CG 1 1 13 5311 1 1 7 LYS H H -9.352 -1.080 -1.081 1.00 . A A . 7 LYS H 1 1 13 5312 1 1 7 LYS HA H -7.582 -0.719 -3.232 1.00 . A A . 7 LYS HA 1 1 13 5313 1 1 7 LYS HB2 H -10.052 -0.629 -3.353 1.00 . A A . 7 LYS HB2 1 1 13 5314 1 1 7 LYS HB3 H -10.016 0.848 -2.398 1.00 . A A . 7 LYS HB3 1 1 13 5315 1 1 7 LYS HD2 H -11.294 0.608 -5.052 1.00 . A A . 7 LYS HD2 1 1 13 5316 1 1 7 LYS HD3 H -11.152 2.149 -4.202 1.00 . A A . 7 LYS HD3 1 1 13 5317 1 1 7 LYS HE2 H -11.523 2.561 -6.548 1.00 . A A . 7 LYS HE2 1 1 13 5318 1 1 7 LYS HE3 H -9.881 3.034 -6.115 1.00 . A A . 7 LYS HE3 1 1 13 5319 1 1 7 LYS HG2 H -8.739 1.931 -4.141 1.00 . A A . 7 LYS HG2 1 1 13 5320 1 1 7 LYS HG3 H -8.822 0.450 -5.107 1.00 . A A . 7 LYS HG3 1 1 13 5321 1 1 7 LYS HZ1 H -9.056 0.988 -7.080 1.00 . A A . 7 LYS HZ1 1 1 13 5322 1 1 7 LYS HZ2 H -9.994 1.797 -8.217 1.00 . A A . 7 LYS HZ2 1 1 13 5323 1 1 7 LYS HZ3 H -10.624 0.475 -7.413 1.00 . A A . 7 LYS HZ3 1 1 13 5324 1 1 7 LYS N N -8.420 -1.019 -1.378 1.00 . A A . 7 LYS N 1 1 13 5325 1 1 7 LYS NZ N -10.019 1.311 -7.298 1.00 . A A . 7 LYS NZ 1 1 13 5326 1 1 7 LYS O O -7.654 1.604 -0.965 1.00 . A A . 7 LYS O 1 1 13 5327 1 1 8 CYS C C -5.810 3.750 -3.433 1.00 . A A . 8 CYS C 1 1 13 5328 1 1 8 CYS CA C -5.605 2.601 -2.482 1.00 . A A . 8 CYS CA 1 1 13 5329 1 1 8 CYS CB C -4.143 2.171 -2.512 1.00 . A A . 8 CYS CB 1 1 13 5330 1 1 8 CYS H H -6.299 1.058 -3.707 1.00 . A A . 8 CYS H 1 1 13 5331 1 1 8 CYS HA H -5.847 2.913 -1.477 1.00 . A A . 8 CYS HA 1 1 13 5332 1 1 8 CYS HB2 H -3.517 3.039 -2.370 1.00 . A A . 8 CYS HB2 1 1 13 5333 1 1 8 CYS HB3 H -3.965 1.470 -1.710 1.00 . A A . 8 CYS HB3 1 1 13 5334 1 1 8 CYS N N -6.447 1.488 -2.837 1.00 . A A . 8 CYS N 1 1 13 5335 1 1 8 CYS O O -6.081 3.549 -4.624 1.00 . A A . 8 CYS O 1 1 13 5336 1 1 8 CYS SG S -3.633 1.371 -4.074 1.00 . A A . 8 CYS SG 1 1 13 5337 1 1 9 SER C C -4.421 6.657 -3.993 1.00 . A A . 9 SER C 1 1 13 5338 1 1 9 SER CA C -5.833 6.122 -3.721 1.00 . A A . 9 SER CA 1 1 13 5339 1 1 9 SER CB C -6.677 7.155 -2.996 1.00 . A A . 9 SER CB 1 1 13 5340 1 1 9 SER H H -5.685 5.045 -1.928 1.00 . A A . 9 SER H 1 1 13 5341 1 1 9 SER HA H -6.311 5.862 -4.655 1.00 . A A . 9 SER HA 1 1 13 5342 1 1 9 SER HB2 H -6.156 7.497 -2.114 1.00 . A A . 9 SER HB2 1 1 13 5343 1 1 9 SER HB3 H -6.863 7.985 -3.660 1.00 . A A . 9 SER HB3 1 1 13 5344 1 1 9 SER HG H -7.772 6.076 -1.809 1.00 . A A . 9 SER HG 1 1 13 5345 1 1 9 SER N N -5.748 4.941 -2.909 1.00 . A A . 9 SER N 1 1 13 5346 1 1 9 SER O O -4.182 7.388 -4.971 1.00 . A A . 9 SER O 1 1 13 5347 1 1 9 SER OG O -7.926 6.587 -2.614 1.00 . A A . 9 SER OG 1 1 13 5348 1 1 10 ASP C C -1.295 5.714 -2.341 1.00 . A A . 10 ASP C 1 1 13 5349 1 1 10 ASP CA C -2.100 6.665 -3.206 1.00 . A A . 10 ASP CA 1 1 13 5350 1 1 10 ASP CB C -1.944 8.113 -2.701 1.00 . A A . 10 ASP CB 1 1 13 5351 1 1 10 ASP CG C -0.522 8.606 -2.750 1.00 . A A . 10 ASP CG 1 1 13 5352 1 1 10 ASP H H -3.728 5.621 -2.429 1.00 . A A . 10 ASP H 1 1 13 5353 1 1 10 ASP HA H -1.767 6.594 -4.231 1.00 . A A . 10 ASP HA 1 1 13 5354 1 1 10 ASP HB2 H -2.549 8.771 -3.304 1.00 . A A . 10 ASP HB2 1 1 13 5355 1 1 10 ASP HB3 H -2.280 8.152 -1.675 1.00 . A A . 10 ASP HB3 1 1 13 5356 1 1 10 ASP N N -3.493 6.252 -3.142 1.00 . A A . 10 ASP N 1 1 13 5357 1 1 10 ASP O O -1.875 4.955 -1.576 1.00 . A A . 10 ASP O 1 1 13 5358 1 1 10 ASP OD1 O 0.099 8.777 -1.689 1.00 . A A . 10 ASP OD1 1 1 13 5359 1 1 10 ASP OD2 O 0.017 8.782 -3.850 1.00 . A A . 10 ASP OD2 1 1 13 5360 1 1 11 ASP C C 0.873 5.245 -0.221 1.00 . A A . 11 ASP C 1 1 13 5361 1 1 11 ASP CA C 0.890 4.859 -1.680 1.00 . A A . 11 ASP CA 1 1 13 5362 1 1 11 ASP CB C 2.334 4.899 -2.193 1.00 . A A . 11 ASP CB 1 1 13 5363 1 1 11 ASP CG C 2.472 4.479 -3.631 1.00 . A A . 11 ASP CG 1 1 13 5364 1 1 11 ASP H H 0.407 6.400 -3.072 1.00 . A A . 11 ASP H 1 1 13 5365 1 1 11 ASP HA H 0.511 3.851 -1.777 1.00 . A A . 11 ASP HA 1 1 13 5366 1 1 11 ASP HB2 H 2.714 5.904 -2.095 1.00 . A A . 11 ASP HB2 1 1 13 5367 1 1 11 ASP HB3 H 2.935 4.240 -1.584 1.00 . A A . 11 ASP HB3 1 1 13 5368 1 1 11 ASP N N 0.014 5.746 -2.454 1.00 . A A . 11 ASP N 1 1 13 5369 1 1 11 ASP O O 0.874 4.396 0.659 1.00 . A A . 11 ASP O 1 1 13 5370 1 1 11 ASP OD1 O 2.573 3.281 -3.913 1.00 . A A . 11 ASP OD1 1 1 13 5371 1 1 11 ASP OD2 O 2.491 5.356 -4.512 1.00 . A A . 11 ASP OD2 1 1 13 5372 1 1 12 TYR C C -0.627 6.983 1.985 1.00 . A A . 12 TYR C 1 1 13 5373 1 1 12 TYR CA C 0.784 7.027 1.409 1.00 . A A . 12 TYR CA 1 1 13 5374 1 1 12 TYR CB C 1.384 8.434 1.479 1.00 . A A . 12 TYR CB 1 1 13 5375 1 1 12 TYR CD1 C 3.046 8.865 -0.375 1.00 . A A . 12 TYR CD1 1 1 13 5376 1 1 12 TYR CD2 C 3.891 8.203 1.746 1.00 . A A . 12 TYR CD2 1 1 13 5377 1 1 12 TYR CE1 C 4.327 8.919 -0.879 1.00 . A A . 12 TYR CE1 1 1 13 5378 1 1 12 TYR CE2 C 5.181 8.259 1.248 1.00 . A A . 12 TYR CE2 1 1 13 5379 1 1 12 TYR CG C 2.803 8.507 0.942 1.00 . A A . 12 TYR CG 1 1 13 5380 1 1 12 TYR CZ C 5.390 8.617 -0.065 1.00 . A A . 12 TYR CZ 1 1 13 5381 1 1 12 TYR H H 0.704 7.192 -0.691 1.00 . A A . 12 TYR H 1 1 13 5382 1 1 12 TYR HA H 1.399 6.350 1.984 1.00 . A A . 12 TYR HA 1 1 13 5383 1 1 12 TYR HB2 H 0.772 9.106 0.897 1.00 . A A . 12 TYR HB2 1 1 13 5384 1 1 12 TYR HB3 H 1.397 8.764 2.507 1.00 . A A . 12 TYR HB3 1 1 13 5385 1 1 12 TYR HD1 H 2.207 9.100 -1.011 1.00 . A A . 12 TYR HD1 1 1 13 5386 1 1 12 TYR HD2 H 3.722 7.923 2.775 1.00 . A A . 12 TYR HD2 1 1 13 5387 1 1 12 TYR HE1 H 4.491 9.201 -1.909 1.00 . A A . 12 TYR HE1 1 1 13 5388 1 1 12 TYR HE2 H 6.019 8.022 1.886 1.00 . A A . 12 TYR HE2 1 1 13 5389 1 1 12 TYR HH H 7.098 7.826 -0.325 1.00 . A A . 12 TYR HH 1 1 13 5390 1 1 12 TYR N N 0.783 6.536 0.041 1.00 . A A . 12 TYR N 1 1 13 5391 1 1 12 TYR O O -0.872 7.368 3.127 1.00 . A A . 12 TYR O 1 1 13 5392 1 1 12 TYR OH O 6.669 8.661 -0.571 1.00 . A A . 12 TYR OH 1 1 13 5393 1 1 13 ASP C C -3.062 4.915 2.216 1.00 . A A . 13 ASP C 1 1 13 5394 1 1 13 ASP CA C -2.930 6.292 1.570 1.00 . A A . 13 ASP CA 1 1 13 5395 1 1 13 ASP CB C -3.827 6.419 0.323 1.00 . A A . 13 ASP CB 1 1 13 5396 1 1 13 ASP CG C -5.293 6.146 0.557 1.00 . A A . 13 ASP CG 1 1 13 5397 1 1 13 ASP H H -1.273 6.227 0.273 1.00 . A A . 13 ASP H 1 1 13 5398 1 1 13 ASP HA H -3.192 7.055 2.288 1.00 . A A . 13 ASP HA 1 1 13 5399 1 1 13 ASP HB2 H -3.741 7.421 -0.068 1.00 . A A . 13 ASP HB2 1 1 13 5400 1 1 13 ASP HB3 H -3.466 5.729 -0.425 1.00 . A A . 13 ASP HB3 1 1 13 5401 1 1 13 ASP N N -1.541 6.488 1.179 1.00 . A A . 13 ASP N 1 1 13 5402 1 1 13 ASP O O -4.043 4.599 2.888 1.00 . A A . 13 ASP O 1 1 13 5403 1 1 13 ASP OD1 O -5.878 5.319 -0.187 1.00 . A A . 13 ASP OD1 1 1 13 5404 1 1 13 ASP OD2 O -5.892 6.774 1.451 1.00 . A A . 13 ASP OD2 1 1 13 5405 1 1 14 CYS C C -1.298 2.820 3.959 1.00 . A A . 14 CYS C 1 1 13 5406 1 1 14 CYS CA C -1.972 2.796 2.595 1.00 . A A . 14 CYS CA 1 1 13 5407 1 1 14 CYS CB C -1.221 1.881 1.646 1.00 . A A . 14 CYS CB 1 1 13 5408 1 1 14 CYS H H -1.262 4.438 1.525 1.00 . A A . 14 CYS H 1 1 13 5409 1 1 14 CYS HA H -2.982 2.431 2.705 1.00 . A A . 14 CYS HA 1 1 13 5410 1 1 14 CYS HB2 H -0.213 2.245 1.513 1.00 . A A . 14 CYS HB2 1 1 13 5411 1 1 14 CYS HB3 H -1.195 0.891 2.073 1.00 . A A . 14 CYS HB3 1 1 13 5412 1 1 14 CYS N N -2.032 4.122 2.043 1.00 . A A . 14 CYS N 1 1 13 5413 1 1 14 CYS O O -0.400 3.643 4.205 1.00 . A A . 14 CYS O 1 1 13 5414 1 1 14 CYS SG S -1.993 1.751 0.011 1.00 . A A . 14 CYS SG 1 1 13 5415 1 1 15 CYS C C 0.121 1.147 6.216 1.00 . A A . 15 CYS C 1 1 13 5416 1 1 15 CYS CA C -1.229 1.864 6.192 1.00 . A A . 15 CYS CA 1 1 13 5417 1 1 15 CYS CB C -2.212 1.089 7.071 1.00 . A A . 15 CYS CB 1 1 13 5418 1 1 15 CYS H H -2.475 1.348 4.573 1.00 . A A . 15 CYS H 1 1 13 5419 1 1 15 CYS HA H -1.131 2.863 6.587 1.00 . A A . 15 CYS HA 1 1 13 5420 1 1 15 CYS HB2 H -2.251 0.066 6.726 1.00 . A A . 15 CYS HB2 1 1 13 5421 1 1 15 CYS HB3 H -1.849 1.100 8.088 1.00 . A A . 15 CYS HB3 1 1 13 5422 1 1 15 CYS N N -1.747 1.956 4.837 1.00 . A A . 15 CYS N 1 1 13 5423 1 1 15 CYS O O 0.409 0.320 5.346 1.00 . A A . 15 CYS O 1 1 13 5424 1 1 15 CYS SG S -3.927 1.725 7.079 1.00 . A A . 15 CYS SG 1 1 13 5425 1 1 16 GLY C C 3.187 1.093 6.257 1.00 . A A . 16 GLY C 1 1 13 5426 1 1 16 GLY CA C 2.220 0.812 7.373 1.00 . A A . 16 GLY CA 1 1 13 5427 1 1 16 GLY H H 0.732 2.274 7.739 1.00 . A A . 16 GLY H 1 1 13 5428 1 1 16 GLY HA2 H 2.657 1.136 8.306 1.00 . A A . 16 GLY HA2 1 1 13 5429 1 1 16 GLY HA3 H 2.038 -0.252 7.420 1.00 . A A . 16 GLY HA3 1 1 13 5430 1 1 16 GLY N N 0.956 1.498 7.180 1.00 . A A . 16 GLY N 1 1 13 5431 1 1 16 GLY O O 3.307 2.222 5.818 1.00 . A A . 16 GLY O 1 1 13 5432 1 1 17 SER C C 4.174 -0.189 3.367 1.00 . A A . 17 SER C 1 1 13 5433 1 1 17 SER CA C 4.791 0.230 4.698 1.00 . A A . 17 SER CA 1 1 13 5434 1 1 17 SER CB C 6.031 -0.597 5.007 1.00 . A A . 17 SER CB 1 1 13 5435 1 1 17 SER H H 3.718 -0.817 6.154 1.00 . A A . 17 SER H 1 1 13 5436 1 1 17 SER HA H 5.075 1.270 4.642 1.00 . A A . 17 SER HA 1 1 13 5437 1 1 17 SER HB2 H 6.631 -0.688 4.113 1.00 . A A . 17 SER HB2 1 1 13 5438 1 1 17 SER HB3 H 6.608 -0.115 5.781 1.00 . A A . 17 SER HB3 1 1 13 5439 1 1 17 SER HG H 6.085 -2.012 6.311 1.00 . A A . 17 SER HG 1 1 13 5440 1 1 17 SER N N 3.843 0.082 5.780 1.00 . A A . 17 SER N 1 1 13 5441 1 1 17 SER O O 4.876 -0.358 2.372 1.00 . A A . 17 SER O 1 1 13 5442 1 1 17 SER OG O 5.668 -1.903 5.448 1.00 . A A . 17 SER OG 1 1 13 5443 1 1 18 LEU C C 2.188 0.351 1.126 1.00 . A A . 18 LEU C 1 1 13 5444 1 1 18 LEU CA C 2.171 -0.758 2.148 1.00 . A A . 18 LEU CA 1 1 13 5445 1 1 18 LEU CB C 0.732 -1.118 2.445 1.00 . A A . 18 LEU CB 1 1 13 5446 1 1 18 LEU CD1 C -0.986 -2.384 3.657 1.00 . A A . 18 LEU CD1 1 1 13 5447 1 1 18 LEU CD2 C 1.085 -3.548 2.961 1.00 . A A . 18 LEU CD2 1 1 13 5448 1 1 18 LEU CG C 0.489 -2.236 3.439 1.00 . A A . 18 LEU CG 1 1 13 5449 1 1 18 LEU H H 2.345 -0.170 4.164 1.00 . A A . 18 LEU H 1 1 13 5450 1 1 18 LEU HA H 2.670 -1.625 1.741 1.00 . A A . 18 LEU HA 1 1 13 5451 1 1 18 LEU HB2 H 0.260 -0.233 2.843 1.00 . A A . 18 LEU HB2 1 1 13 5452 1 1 18 LEU HB3 H 0.248 -1.378 1.515 1.00 . A A . 18 LEU HB3 1 1 13 5453 1 1 18 LEU HD11 H -1.167 -3.208 4.333 1.00 . A A . 18 LEU HD11 1 1 13 5454 1 1 18 LEU HD12 H -1.469 -2.579 2.711 1.00 . A A . 18 LEU HD12 1 1 13 5455 1 1 18 LEU HD13 H -1.381 -1.476 4.085 1.00 . A A . 18 LEU HD13 1 1 13 5456 1 1 18 LEU HD21 H 0.874 -4.323 3.682 1.00 . A A . 18 LEU HD21 1 1 13 5457 1 1 18 LEU HD22 H 2.154 -3.441 2.854 1.00 . A A . 18 LEU HD22 1 1 13 5458 1 1 18 LEU HD23 H 0.653 -3.816 2.008 1.00 . A A . 18 LEU HD23 1 1 13 5459 1 1 18 LEU HG H 0.945 -1.971 4.381 1.00 . A A . 18 LEU HG 1 1 13 5460 1 1 18 LEU N N 2.863 -0.348 3.350 1.00 . A A . 18 LEU N 1 1 13 5461 1 1 18 LEU O O 2.161 1.536 1.478 1.00 . A A . 18 LEU O 1 1 13 5462 1 1 19 CYS C C 1.047 0.598 -2.093 1.00 . A A . 19 CYS C 1 1 13 5463 1 1 19 CYS CA C 2.227 0.898 -1.188 1.00 . A A . 19 CYS CA 1 1 13 5464 1 1 19 CYS CB C 3.559 0.821 -1.931 1.00 . A A . 19 CYS CB 1 1 13 5465 1 1 19 CYS H H 2.204 -0.986 -0.328 1.00 . A A . 19 CYS H 1 1 13 5466 1 1 19 CYS HA H 2.104 1.888 -0.772 1.00 . A A . 19 CYS HA 1 1 13 5467 1 1 19 CYS HB2 H 3.673 -0.167 -2.352 1.00 . A A . 19 CYS HB2 1 1 13 5468 1 1 19 CYS HB3 H 3.561 1.552 -2.725 1.00 . A A . 19 CYS HB3 1 1 13 5469 1 1 19 CYS N N 2.216 -0.028 -0.109 1.00 . A A . 19 CYS N 1 1 13 5470 1 1 19 CYS O O 0.366 -0.432 -1.920 1.00 . A A . 19 CYS O 1 1 13 5471 1 1 19 CYS SG S 5.009 1.148 -0.863 1.00 . A A . 19 CYS SG 1 1 13 5472 1 1 20 CYS C C -0.066 0.621 -5.163 1.00 . A A . 20 CYS C 1 1 13 5473 1 1 20 CYS CA C -0.364 1.335 -3.858 1.00 . A A . 20 CYS CA 1 1 13 5474 1 1 20 CYS CB C -0.931 2.726 -4.128 1.00 . A A . 20 CYS CB 1 1 13 5475 1 1 20 CYS H H 1.453 2.160 -3.262 1.00 . A A . 20 CYS H 1 1 13 5476 1 1 20 CYS HA H -1.104 0.771 -3.308 1.00 . A A . 20 CYS HA 1 1 13 5477 1 1 20 CYS HB2 H -1.095 3.227 -3.185 1.00 . A A . 20 CYS HB2 1 1 13 5478 1 1 20 CYS HB3 H -0.212 3.290 -4.703 1.00 . A A . 20 CYS HB3 1 1 13 5479 1 1 20 CYS N N 0.806 1.443 -3.048 1.00 . A A . 20 CYS N 1 1 13 5480 1 1 20 CYS O O 0.765 1.063 -5.958 1.00 . A A . 20 CYS O 1 1 13 5481 1 1 20 CYS SG S -2.509 2.752 -5.032 1.00 . A A . 20 CYS SG 1 1 13 5482 1 1 21 VAL C C -2.069 -1.572 -7.020 1.00 . A A . 21 VAL C 1 1 13 5483 1 1 21 VAL CA C -0.642 -1.269 -6.590 1.00 . A A . 21 VAL CA 1 1 13 5484 1 1 21 VAL CB C 0.170 -2.611 -6.417 1.00 . A A . 21 VAL CB 1 1 13 5485 1 1 21 VAL CG1 C 1.642 -2.338 -6.179 1.00 . A A . 21 VAL CG1 1 1 13 5486 1 1 21 VAL CG2 C -0.382 -3.468 -5.282 1.00 . A A . 21 VAL CG2 1 1 13 5487 1 1 21 VAL H H -1.282 -0.839 -4.627 1.00 . A A . 21 VAL H 1 1 13 5488 1 1 21 VAL HA H -0.175 -0.649 -7.341 1.00 . A A . 21 VAL HA 1 1 13 5489 1 1 21 VAL HB H 0.083 -3.168 -7.339 1.00 . A A . 21 VAL HB 1 1 13 5490 1 1 21 VAL HG11 H 2.053 -1.809 -7.026 1.00 . A A . 21 VAL HG11 1 1 13 5491 1 1 21 VAL HG12 H 2.166 -3.273 -6.050 1.00 . A A . 21 VAL HG12 1 1 13 5492 1 1 21 VAL HG13 H 1.756 -1.736 -5.290 1.00 . A A . 21 VAL HG13 1 1 13 5493 1 1 21 VAL HG21 H -0.324 -2.916 -4.355 1.00 . A A . 21 VAL HG21 1 1 13 5494 1 1 21 VAL HG22 H 0.198 -4.375 -5.199 1.00 . A A . 21 VAL HG22 1 1 13 5495 1 1 21 VAL HG23 H -1.412 -3.718 -5.488 1.00 . A A . 21 VAL HG23 1 1 13 5496 1 1 21 VAL N N -0.714 -0.494 -5.355 1.00 . A A . 21 VAL N 1 1 13 5497 1 1 21 VAL O O -2.390 -2.647 -7.492 1.00 . A A . 21 VAL O 1 1 13 5498 1 1 22 GLY C C -5.005 -1.056 -5.791 1.00 . A A . 22 GLY C 1 1 13 5499 1 1 22 GLY CA C -4.338 -0.796 -7.097 1.00 . A A . 22 GLY CA 1 1 13 5500 1 1 22 GLY H H -2.619 0.259 -6.484 1.00 . A A . 22 GLY H 1 1 13 5501 1 1 22 GLY HA2 H -4.752 0.082 -7.568 1.00 . A A . 22 GLY HA2 1 1 13 5502 1 1 22 GLY HA3 H -4.467 -1.658 -7.731 1.00 . A A . 22 GLY HA3 1 1 13 5503 1 1 22 GLY N N -2.929 -0.604 -6.833 1.00 . A A . 22 GLY N 1 1 13 5504 1 1 22 GLY O O -6.033 -0.453 -5.437 1.00 . A A . 22 GLY O 1 1 13 5505 1 1 23 ILE C C -3.482 -1.961 -2.881 1.00 . A A . 23 ILE C 1 1 13 5506 1 1 23 ILE CA C -4.727 -2.213 -3.713 1.00 . A A . 23 ILE CA 1 1 13 5507 1 1 23 ILE CB C -5.194 -3.684 -3.517 1.00 . A A . 23 ILE CB 1 1 13 5508 1 1 23 ILE CD1 C -4.439 -6.124 -3.697 1.00 . A A . 23 ILE CD1 1 1 13 5509 1 1 23 ILE CG1 C -4.094 -4.674 -3.947 1.00 . A A . 23 ILE CG1 1 1 13 5510 1 1 23 ILE CG2 C -6.491 -3.941 -4.282 1.00 . A A . 23 ILE CG2 1 1 13 5511 1 1 23 ILE H H -3.618 -2.379 -5.476 1.00 . A A . 23 ILE H 1 1 13 5512 1 1 23 ILE HA H -5.507 -1.533 -3.402 1.00 . A A . 23 ILE HA 1 1 13 5513 1 1 23 ILE HB H -5.401 -3.825 -2.466 1.00 . A A . 23 ILE HB 1 1 13 5514 1 1 23 ILE HD11 H -5.331 -6.379 -4.249 1.00 . A A . 23 ILE HD11 1 1 13 5515 1 1 23 ILE HD12 H -4.611 -6.278 -2.643 1.00 . A A . 23 ILE HD12 1 1 13 5516 1 1 23 ILE HD13 H -3.623 -6.752 -4.021 1.00 . A A . 23 ILE HD13 1 1 13 5517 1 1 23 ILE HG12 H -3.911 -4.558 -5.004 1.00 . A A . 23 ILE HG12 1 1 13 5518 1 1 23 ILE HG13 H -3.187 -4.446 -3.406 1.00 . A A . 23 ILE HG13 1 1 13 5519 1 1 23 ILE HG21 H -7.257 -3.270 -3.923 1.00 . A A . 23 ILE HG21 1 1 13 5520 1 1 23 ILE HG22 H -6.805 -4.963 -4.128 1.00 . A A . 23 ILE HG22 1 1 13 5521 1 1 23 ILE HG23 H -6.326 -3.770 -5.336 1.00 . A A . 23 ILE HG23 1 1 13 5522 1 1 23 ILE N N -4.384 -1.921 -5.063 1.00 . A A . 23 ILE N 1 1 13 5523 1 1 23 ILE O O -2.383 -1.806 -3.444 1.00 . A A . 23 ILE O 1 1 13 5524 1 1 24 CYS C C -1.827 -3.018 -0.502 1.00 . A A . 24 CYS C 1 1 13 5525 1 1 24 CYS CA C -2.504 -1.693 -0.736 1.00 . A A . 24 CYS CA 1 1 13 5526 1 1 24 CYS CB C -2.929 -1.061 0.576 1.00 . A A . 24 CYS CB 1 1 13 5527 1 1 24 CYS H H -4.542 -1.885 -1.231 1.00 . A A . 24 CYS H 1 1 13 5528 1 1 24 CYS HA H -1.807 -1.033 -1.232 1.00 . A A . 24 CYS HA 1 1 13 5529 1 1 24 CYS HB2 H -3.672 -1.688 1.048 1.00 . A A . 24 CYS HB2 1 1 13 5530 1 1 24 CYS HB3 H -2.069 -0.982 1.224 1.00 . A A . 24 CYS HB3 1 1 13 5531 1 1 24 CYS N N -3.632 -1.865 -1.608 1.00 . A A . 24 CYS N 1 1 13 5532 1 1 24 CYS O O -2.436 -3.960 0.030 1.00 . A A . 24 CYS O 1 1 13 5533 1 1 24 CYS SG S -3.625 0.601 0.371 1.00 . A A . 24 CYS SG 1 1 13 5534 1 1 25 ALA C C 1.616 -3.910 -0.524 1.00 . A A . 25 ALA C 1 1 13 5535 1 1 25 ALA CA C 0.186 -4.302 -0.794 1.00 . A A . 25 ALA CA 1 1 13 5536 1 1 25 ALA CB C 0.093 -5.158 -2.052 1.00 . A A . 25 ALA CB 1 1 13 5537 1 1 25 ALA H H -0.176 -2.326 -1.360 1.00 . A A . 25 ALA H 1 1 13 5538 1 1 25 ALA HA H -0.199 -4.864 0.045 1.00 . A A . 25 ALA HA 1 1 13 5539 1 1 25 ALA HB1 H -0.937 -5.430 -2.229 1.00 . A A . 25 ALA HB1 1 1 13 5540 1 1 25 ALA HB2 H 0.686 -6.051 -1.926 1.00 . A A . 25 ALA HB2 1 1 13 5541 1 1 25 ALA HB3 H 0.466 -4.596 -2.895 1.00 . A A . 25 ALA HB3 1 1 13 5542 1 1 25 ALA N N -0.599 -3.108 -0.935 1.00 . A A . 25 ALA N 1 1 13 5543 1 1 25 ALA O O 2.005 -2.757 -0.769 1.00 . A A . 25 ALA O 1 1 13 5544 1 1 26 LYS C C 4.573 -4.790 -0.957 1.00 . A A . 26 LYS C 1 1 13 5545 1 1 26 LYS CA C 3.752 -4.563 0.299 1.00 . A A . 26 LYS CA 1 1 13 5546 1 1 26 LYS CB C 4.206 -5.474 1.437 1.00 . A A . 26 LYS CB 1 1 13 5547 1 1 26 LYS CD C 5.894 -6.006 3.198 1.00 . A A . 26 LYS CD 1 1 13 5548 1 1 26 LYS CE C 7.142 -5.534 3.924 1.00 . A A . 26 LYS CE 1 1 13 5549 1 1 26 LYS CG C 5.537 -5.087 2.046 1.00 . A A . 26 LYS CG 1 1 13 5550 1 1 26 LYS H H 2.014 -5.718 0.151 1.00 . A A . 26 LYS H 1 1 13 5551 1 1 26 LYS HA H 3.846 -3.531 0.604 1.00 . A A . 26 LYS HA 1 1 13 5552 1 1 26 LYS HB2 H 3.459 -5.449 2.218 1.00 . A A . 26 LYS HB2 1 1 13 5553 1 1 26 LYS HB3 H 4.282 -6.484 1.063 1.00 . A A . 26 LYS HB3 1 1 13 5554 1 1 26 LYS HD2 H 5.070 -6.023 3.894 1.00 . A A . 26 LYS HD2 1 1 13 5555 1 1 26 LYS HD3 H 6.064 -7.000 2.813 1.00 . A A . 26 LYS HD3 1 1 13 5556 1 1 26 LYS HE2 H 6.958 -4.529 4.276 1.00 . A A . 26 LYS HE2 1 1 13 5557 1 1 26 LYS HE3 H 7.325 -6.183 4.767 1.00 . A A . 26 LYS HE3 1 1 13 5558 1 1 26 LYS HG2 H 6.302 -5.154 1.287 1.00 . A A . 26 LYS HG2 1 1 13 5559 1 1 26 LYS HG3 H 5.476 -4.072 2.409 1.00 . A A . 26 LYS HG3 1 1 13 5560 1 1 26 LYS HZ1 H 8.186 -4.895 2.229 1.00 . A A . 26 LYS HZ1 1 1 13 5561 1 1 26 LYS HZ2 H 8.587 -6.461 2.708 1.00 . A A . 26 LYS HZ2 1 1 13 5562 1 1 26 LYS HZ3 H 9.135 -5.129 3.588 1.00 . A A . 26 LYS HZ3 1 1 13 5563 1 1 26 LYS N N 2.382 -4.823 -0.013 1.00 . A A . 26 LYS N 1 1 13 5564 1 1 26 LYS NZ N 8.331 -5.513 3.051 1.00 . A A . 26 LYS NZ 1 1 13 5565 1 1 26 LYS O O 4.582 -5.888 -1.518 1.00 . A A . 26 LYS O 1 1 13 5566 1 1 27 THR C C 7.383 -4.298 -2.394 1.00 . A A . 27 THR C 1 1 13 5567 1 1 27 THR CA C 5.958 -3.788 -2.626 1.00 . A A . 27 THR CA 1 1 13 5568 1 1 27 THR CB C 5.978 -2.383 -3.233 1.00 . A A . 27 THR CB 1 1 13 5569 1 1 27 THR CG2 C 4.667 -2.076 -3.937 1.00 . A A . 27 THR CG2 1 1 13 5570 1 1 27 THR H H 5.177 -2.903 -0.939 1.00 . A A . 27 THR H 1 1 13 5571 1 1 27 THR HA H 5.446 -4.439 -3.318 1.00 . A A . 27 THR HA 1 1 13 5572 1 1 27 THR HB H 6.789 -2.320 -3.939 1.00 . A A . 27 THR HB 1 1 13 5573 1 1 27 THR HG1 H 7.004 -0.917 -2.452 1.00 . A A . 27 THR HG1 1 1 13 5574 1 1 27 THR HG21 H 3.852 -2.164 -3.234 1.00 . A A . 27 THR HG21 1 1 13 5575 1 1 27 THR HG22 H 4.519 -2.774 -4.749 1.00 . A A . 27 THR HG22 1 1 13 5576 1 1 27 THR HG23 H 4.696 -1.070 -4.329 1.00 . A A . 27 THR HG23 1 1 13 5577 1 1 27 THR N N 5.198 -3.758 -1.418 1.00 . A A . 27 THR N 1 1 13 5578 1 1 27 THR O O 7.783 -4.568 -1.248 1.00 . A A . 27 THR O 1 1 13 5579 1 1 27 THR OG1 O 6.215 -1.419 -2.190 1.00 . A A . 27 THR OG1 1 1 13 5580 1 1 28 ILE C C 10.321 -3.716 -2.843 1.00 . A A . 28 ILE C 1 1 13 5581 1 1 28 ILE CA C 9.512 -4.882 -3.383 1.00 . A A . 28 ILE CA 1 1 13 5582 1 1 28 ILE CB C 10.051 -5.289 -4.781 1.00 . A A . 28 ILE CB 1 1 13 5583 1 1 28 ILE CD1 C 9.504 -6.741 -6.808 1.00 . A A . 28 ILE CD1 1 1 13 5584 1 1 28 ILE CG1 C 9.159 -6.380 -5.385 1.00 . A A . 28 ILE CG1 1 1 13 5585 1 1 28 ILE CG2 C 11.499 -5.776 -4.680 1.00 . A A . 28 ILE CG2 1 1 13 5586 1 1 28 ILE H H 7.738 -4.296 -4.353 1.00 . A A . 28 ILE H 1 1 13 5587 1 1 28 ILE HA H 9.582 -5.720 -2.707 1.00 . A A . 28 ILE HA 1 1 13 5588 1 1 28 ILE HB H 10.027 -4.422 -5.423 1.00 . A A . 28 ILE HB 1 1 13 5589 1 1 28 ILE HD11 H 10.523 -7.094 -6.845 1.00 . A A . 28 ILE HD11 1 1 13 5590 1 1 28 ILE HD12 H 9.400 -5.866 -7.433 1.00 . A A . 28 ILE HD12 1 1 13 5591 1 1 28 ILE HD13 H 8.838 -7.517 -7.156 1.00 . A A . 28 ILE HD13 1 1 13 5592 1 1 28 ILE HG12 H 9.246 -7.277 -4.790 1.00 . A A . 28 ILE HG12 1 1 13 5593 1 1 28 ILE HG13 H 8.136 -6.040 -5.364 1.00 . A A . 28 ILE HG13 1 1 13 5594 1 1 28 ILE HG21 H 11.547 -6.630 -4.022 1.00 . A A . 28 ILE HG21 1 1 13 5595 1 1 28 ILE HG22 H 12.118 -4.982 -4.287 1.00 . A A . 28 ILE HG22 1 1 13 5596 1 1 28 ILE HG23 H 11.853 -6.055 -5.661 1.00 . A A . 28 ILE HG23 1 1 13 5597 1 1 28 ILE N N 8.128 -4.464 -3.465 1.00 . A A . 28 ILE N 1 1 13 5598 1 1 28 ILE O O 11.082 -3.852 -1.878 1.00 . A A . 28 ILE O 1 1 13 5599 1 1 29 ALA C C 9.744 -0.544 -2.221 1.00 . A A . 29 ALA C 1 1 13 5600 1 1 29 ALA CA C 10.744 -1.355 -3.033 1.00 . A A . 29 ALA CA 1 1 13 5601 1 1 29 ALA CB C 11.222 -0.567 -4.242 1.00 . A A . 29 ALA CB 1 1 13 5602 1 1 29 ALA H H 9.485 -2.535 -4.204 1.00 . A A . 29 ALA H 1 1 13 5603 1 1 29 ALA HA H 11.593 -1.611 -2.417 1.00 . A A . 29 ALA HA 1 1 13 5604 1 1 29 ALA HB1 H 11.713 0.335 -3.911 1.00 . A A . 29 ALA HB1 1 1 13 5605 1 1 29 ALA HB2 H 10.378 -0.309 -4.864 1.00 . A A . 29 ALA HB2 1 1 13 5606 1 1 29 ALA HB3 H 11.917 -1.167 -4.810 1.00 . A A . 29 ALA HB3 1 1 13 5607 1 1 29 ALA N N 10.111 -2.570 -3.449 1.00 . A A . 29 ALA N 1 1 13 5608 1 1 29 ALA O O 8.610 -0.337 -2.661 1.00 . A A . 29 ALA O 1 1 13 5609 1 1 30 PRO C C 9.053 2.092 -0.638 1.00 . A A . 30 PRO C 1 1 13 5610 1 1 30 PRO CA C 9.222 0.645 -0.166 1.00 . A A . 30 PRO CA 1 1 13 5611 1 1 30 PRO CB C 9.900 0.590 1.200 1.00 . A A . 30 PRO CB 1 1 13 5612 1 1 30 PRO CD C 11.441 -0.313 -0.412 1.00 . A A . 30 PRO CD 1 1 13 5613 1 1 30 PRO CG C 11.351 0.401 0.909 1.00 . A A . 30 PRO CG 1 1 13 5614 1 1 30 PRO HA H 8.250 0.178 -0.112 1.00 . A A . 30 PRO HA 1 1 13 5615 1 1 30 PRO HB2 H 9.719 1.519 1.721 1.00 . A A . 30 PRO HB2 1 1 13 5616 1 1 30 PRO HB3 H 9.502 -0.235 1.773 1.00 . A A . 30 PRO HB3 1 1 13 5617 1 1 30 PRO HD2 H 12.212 0.133 -1.023 1.00 . A A . 30 PRO HD2 1 1 13 5618 1 1 30 PRO HD3 H 11.641 -1.364 -0.266 1.00 . A A . 30 PRO HD3 1 1 13 5619 1 1 30 PRO HG2 H 11.836 1.364 0.847 1.00 . A A . 30 PRO HG2 1 1 13 5620 1 1 30 PRO HG3 H 11.807 -0.192 1.689 1.00 . A A . 30 PRO HG3 1 1 13 5621 1 1 30 PRO N N 10.115 -0.109 -1.025 1.00 . A A . 30 PRO N 1 1 13 5622 1 1 30 PRO O O 10.023 2.767 -1.002 1.00 . A A . 30 PRO O 1 1 13 5623 1 1 31 CYS C C 7.620 4.884 0.098 1.00 . A A . 31 CYS C 1 1 13 5624 1 1 31 CYS CA C 7.486 3.898 -1.057 1.00 . A A . 31 CYS CA 1 1 13 5625 1 1 31 CYS CB C 6.058 3.900 -1.585 1.00 . A A . 31 CYS CB 1 1 13 5626 1 1 31 CYS H H 7.081 1.970 -0.373 1.00 . A A . 31 CYS H 1 1 13 5627 1 1 31 CYS HA H 8.149 4.185 -1.858 1.00 . A A . 31 CYS HA 1 1 13 5628 1 1 31 CYS HB2 H 5.742 4.918 -1.753 1.00 . A A . 31 CYS HB2 1 1 13 5629 1 1 31 CYS HB3 H 6.014 3.353 -2.515 1.00 . A A . 31 CYS HB3 1 1 13 5630 1 1 31 CYS N N 7.829 2.549 -0.636 1.00 . A A . 31 CYS N 1 1 13 5631 1 1 31 CYS O O 7.502 6.095 -0.083 1.00 . A A . 31 CYS O 1 1 13 5632 1 1 31 CYS SG S 4.872 3.128 -0.436 1.00 . A A . 31 CYS SG 1 1 13 5633 1 1 32 LYS C C 9.383 5.038 3.004 1.00 . A A . 32 LYS C 1 1 13 5634 1 1 32 LYS CA C 7.991 5.184 2.447 1.00 . A A . 32 LYS CA 1 1 13 5635 1 1 32 LYS CB C 6.944 4.808 3.496 1.00 . A A . 32 LYS CB 1 1 13 5636 1 1 32 LYS CD C 4.535 4.618 4.114 1.00 . A A . 32 LYS CD 1 1 13 5637 1 1 32 LYS CE C 3.100 4.658 3.625 1.00 . A A . 32 LYS CE 1 1 13 5638 1 1 32 LYS CG C 5.511 4.929 3.008 1.00 . A A . 32 LYS CG 1 1 13 5639 1 1 32 LYS H H 7.990 3.401 1.365 1.00 . A A . 32 LYS H 1 1 13 5640 1 1 32 LYS HA H 7.841 6.211 2.149 1.00 . A A . 32 LYS HA 1 1 13 5641 1 1 32 LYS HB2 H 7.113 3.787 3.802 1.00 . A A . 32 LYS HB2 1 1 13 5642 1 1 32 LYS HB3 H 7.067 5.454 4.353 1.00 . A A . 32 LYS HB3 1 1 13 5643 1 1 32 LYS HD2 H 4.744 3.633 4.502 1.00 . A A . 32 LYS HD2 1 1 13 5644 1 1 32 LYS HD3 H 4.658 5.348 4.901 1.00 . A A . 32 LYS HD3 1 1 13 5645 1 1 32 LYS HE2 H 2.901 5.642 3.226 1.00 . A A . 32 LYS HE2 1 1 13 5646 1 1 32 LYS HE3 H 2.970 3.918 2.848 1.00 . A A . 32 LYS HE3 1 1 13 5647 1 1 32 LYS HG2 H 5.340 5.936 2.659 1.00 . A A . 32 LYS HG2 1 1 13 5648 1 1 32 LYS HG3 H 5.358 4.234 2.195 1.00 . A A . 32 LYS HG3 1 1 13 5649 1 1 32 LYS HZ1 H 2.188 5.144 5.431 1.00 . A A . 32 LYS HZ1 1 1 13 5650 1 1 32 LYS HZ2 H 2.454 3.517 5.220 1.00 . A A . 32 LYS HZ2 1 1 13 5651 1 1 32 LYS HZ3 H 1.177 4.263 4.399 1.00 . A A . 32 LYS HZ3 1 1 13 5652 1 1 32 LYS N N 7.863 4.367 1.277 1.00 . A A . 32 LYS N 1 1 13 5653 1 1 32 LYS NZ N 2.161 4.385 4.722 1.00 . A A . 32 LYS NZ 1 1 13 5654 1 1 32 LYS O O 10.222 5.904 2.734 1.00 . A A . 32 LYS O 1 1 13 5655 1 1 32 LYS OXT O 9.667 4.024 3.667 1.00 . A A . 32 LYS OXT 1 1 14 5656 1 1 1 CYS C C -6.197 3.173 5.518 1.00 . A A . 1 CYS C 1 1 14 5657 1 1 1 CYS CA C -5.552 4.524 5.809 1.00 . A A . 1 CYS CA 1 1 14 5658 1 1 1 CYS CB C -4.057 4.363 6.117 1.00 . A A . 1 CYS CB 1 1 14 5659 1 1 1 CYS H1 H -5.793 6.101 7.140 1.00 . A A . 1 CYS H1 1 1 14 5660 1 1 1 CYS H2 H -6.169 4.561 7.748 1.00 . A A . 1 CYS H2 1 1 14 5661 1 1 1 CYS H3 H -7.230 5.318 6.696 1.00 . A A . 1 CYS H3 1 1 14 5662 1 1 1 CYS HA H -5.667 5.145 4.933 1.00 . A A . 1 CYS HA 1 1 14 5663 1 1 1 CYS HB2 H -3.619 3.743 5.348 1.00 . A A . 1 CYS HB2 1 1 14 5664 1 1 1 CYS HB3 H -3.573 5.327 6.096 1.00 . A A . 1 CYS HB3 1 1 14 5665 1 1 1 CYS N N -6.224 5.182 6.916 1.00 . A A . 1 CYS N 1 1 14 5666 1 1 1 CYS O O -6.996 2.666 6.318 1.00 . A A . 1 CYS O 1 1 14 5667 1 1 1 CYS SG S -3.682 3.569 7.722 1.00 . A A . 1 CYS SG 1 1 14 5668 1 1 2 ALA C C -5.361 0.255 4.292 1.00 . A A . 2 ALA C 1 1 14 5669 1 1 2 ALA CA C -6.384 1.328 3.971 1.00 . A A . 2 ALA CA 1 1 14 5670 1 1 2 ALA CB C -6.697 1.338 2.493 1.00 . A A . 2 ALA CB 1 1 14 5671 1 1 2 ALA H H -5.286 3.087 3.746 1.00 . A A . 2 ALA H 1 1 14 5672 1 1 2 ALA HA H -7.294 1.131 4.516 1.00 . A A . 2 ALA HA 1 1 14 5673 1 1 2 ALA HB1 H -7.434 2.101 2.300 1.00 . A A . 2 ALA HB1 1 1 14 5674 1 1 2 ALA HB2 H -7.089 0.376 2.200 1.00 . A A . 2 ALA HB2 1 1 14 5675 1 1 2 ALA HB3 H -5.799 1.553 1.931 1.00 . A A . 2 ALA HB3 1 1 14 5676 1 1 2 ALA N N -5.883 2.616 4.371 1.00 . A A . 2 ALA N 1 1 14 5677 1 1 2 ALA O O -4.139 0.518 4.269 1.00 . A A . 2 ALA O 1 1 14 5678 1 1 3 VAL C C -4.644 -2.858 3.723 1.00 . A A . 3 VAL C 1 1 14 5679 1 1 3 VAL CA C -4.975 -2.025 4.962 1.00 . A A . 3 VAL CA 1 1 14 5680 1 1 3 VAL CB C -5.633 -2.929 6.039 1.00 . A A . 3 VAL CB 1 1 14 5681 1 1 3 VAL CG1 C -5.972 -2.127 7.289 1.00 . A A . 3 VAL CG1 1 1 14 5682 1 1 3 VAL CG2 C -6.873 -3.618 5.492 1.00 . A A . 3 VAL CG2 1 1 14 5683 1 1 3 VAL H H -6.815 -1.061 4.572 1.00 . A A . 3 VAL H 1 1 14 5684 1 1 3 VAL HA H -4.059 -1.616 5.361 1.00 . A A . 3 VAL HA 1 1 14 5685 1 1 3 VAL HB H -4.914 -3.687 6.314 1.00 . A A . 3 VAL HB 1 1 14 5686 1 1 3 VAL HG11 H -6.665 -1.340 7.032 1.00 . A A . 3 VAL HG11 1 1 14 5687 1 1 3 VAL HG12 H -5.071 -1.691 7.696 1.00 . A A . 3 VAL HG12 1 1 14 5688 1 1 3 VAL HG13 H -6.422 -2.777 8.025 1.00 . A A . 3 VAL HG13 1 1 14 5689 1 1 3 VAL HG21 H -7.341 -4.209 6.264 1.00 . A A . 3 VAL HG21 1 1 14 5690 1 1 3 VAL HG22 H -6.585 -4.253 4.666 1.00 . A A . 3 VAL HG22 1 1 14 5691 1 1 3 VAL HG23 H -7.563 -2.871 5.127 1.00 . A A . 3 VAL HG23 1 1 14 5692 1 1 3 VAL N N -5.837 -0.919 4.603 1.00 . A A . 3 VAL N 1 1 14 5693 1 1 3 VAL O O -5.041 -2.501 2.600 1.00 . A A . 3 VAL O 1 1 14 5694 1 1 4 THR C C -4.836 -5.384 2.171 1.00 . A A . 4 THR C 1 1 14 5695 1 1 4 THR CA C -3.561 -4.829 2.840 1.00 . A A . 4 THR CA 1 1 14 5696 1 1 4 THR CB C -2.695 -5.992 3.372 1.00 . A A . 4 THR CB 1 1 14 5697 1 1 4 THR CG2 C -2.078 -6.777 2.218 1.00 . A A . 4 THR CG2 1 1 14 5698 1 1 4 THR H H -3.612 -4.196 4.814 1.00 . A A . 4 THR H 1 1 14 5699 1 1 4 THR HA H -2.990 -4.267 2.116 1.00 . A A . 4 THR HA 1 1 14 5700 1 1 4 THR HB H -3.318 -6.650 3.958 1.00 . A A . 4 THR HB 1 1 14 5701 1 1 4 THR HG1 H -0.916 -6.112 4.172 1.00 . A A . 4 THR HG1 1 1 14 5702 1 1 4 THR HG21 H -2.865 -7.179 1.597 1.00 . A A . 4 THR HG21 1 1 14 5703 1 1 4 THR HG22 H -1.477 -7.584 2.609 1.00 . A A . 4 THR HG22 1 1 14 5704 1 1 4 THR HG23 H -1.458 -6.116 1.629 1.00 . A A . 4 THR HG23 1 1 14 5705 1 1 4 THR N N -3.923 -3.949 3.918 1.00 . A A . 4 THR N 1 1 14 5706 1 1 4 THR O O -5.801 -5.748 2.860 1.00 . A A . 4 THR O 1 1 14 5707 1 1 4 THR OG1 O -1.631 -5.462 4.195 1.00 . A A . 4 THR OG1 1 1 14 5708 1 1 5 HIS C C -7.062 -4.848 -0.207 1.00 . A A . 5 HIS C 1 1 14 5709 1 1 5 HIS CA C -5.939 -5.853 -0.013 1.00 . A A . 5 HIS CA 1 1 14 5710 1 1 5 HIS CB C -6.467 -7.255 0.377 1.00 . A A . 5 HIS CB 1 1 14 5711 1 1 5 HIS CD2 C -4.780 -8.713 -0.922 1.00 . A A . 5 HIS CD2 1 1 14 5712 1 1 5 HIS CE1 C -4.186 -10.072 0.650 1.00 . A A . 5 HIS CE1 1 1 14 5713 1 1 5 HIS CG C -5.461 -8.348 0.187 1.00 . A A . 5 HIS CG 1 1 14 5714 1 1 5 HIS H H -4.056 -4.959 0.399 1.00 . A A . 5 HIS H 1 1 14 5715 1 1 5 HIS HA H -5.481 -5.933 -0.988 1.00 . A A . 5 HIS HA 1 1 14 5716 1 1 5 HIS HB2 H -6.752 -7.247 1.420 1.00 . A A . 5 HIS HB2 1 1 14 5717 1 1 5 HIS HB3 H -7.334 -7.486 -0.225 1.00 . A A . 5 HIS HB3 1 1 14 5718 1 1 5 HIS HD1 H -5.395 -9.243 2.102 1.00 . A A . 5 HIS HD1 1 1 14 5719 1 1 5 HIS HD2 H -4.846 -8.239 -1.890 1.00 . A A . 5 HIS HD2 1 1 14 5720 1 1 5 HIS HE1 H -3.711 -10.875 1.193 1.00 . A A . 5 HIS HE1 1 1 14 5721 1 1 5 HIS N N -4.842 -5.357 0.841 1.00 . A A . 5 HIS N 1 1 14 5722 1 1 5 HIS ND1 N -5.070 -9.224 1.174 1.00 . A A . 5 HIS ND1 1 1 14 5723 1 1 5 HIS NE2 N -3.973 -9.807 -0.628 1.00 . A A . 5 HIS NE2 1 1 14 5724 1 1 5 HIS O O -7.986 -5.081 -0.994 1.00 . A A . 5 HIS O 1 1 14 5725 1 1 6 GLU C C -7.421 -1.836 -0.920 1.00 . A A . 6 GLU C 1 1 14 5726 1 1 6 GLU CA C -7.942 -2.670 0.222 1.00 . A A . 6 GLU CA 1 1 14 5727 1 1 6 GLU CB C -8.169 -1.790 1.437 1.00 . A A . 6 GLU CB 1 1 14 5728 1 1 6 GLU CD C -9.371 -1.374 3.550 1.00 . A A . 6 GLU CD 1 1 14 5729 1 1 6 GLU CG C -8.989 -2.404 2.529 1.00 . A A . 6 GLU CG 1 1 14 5730 1 1 6 GLU H H -6.306 -3.610 1.164 1.00 . A A . 6 GLU H 1 1 14 5731 1 1 6 GLU HA H -8.876 -3.122 -0.080 1.00 . A A . 6 GLU HA 1 1 14 5732 1 1 6 GLU HB2 H -7.204 -1.598 1.883 1.00 . A A . 6 GLU HB2 1 1 14 5733 1 1 6 GLU HB3 H -8.628 -0.862 1.132 1.00 . A A . 6 GLU HB3 1 1 14 5734 1 1 6 GLU HG2 H -9.887 -2.822 2.100 1.00 . A A . 6 GLU HG2 1 1 14 5735 1 1 6 GLU HG3 H -8.417 -3.181 3.013 1.00 . A A . 6 GLU HG3 1 1 14 5736 1 1 6 GLU N N -7.001 -3.736 0.481 1.00 . A A . 6 GLU N 1 1 14 5737 1 1 6 GLU O O -6.226 -1.866 -1.199 1.00 . A A . 6 GLU O 1 1 14 5738 1 1 6 GLU OE1 O -8.631 -1.177 4.530 1.00 . A A . 6 GLU OE1 1 1 14 5739 1 1 6 GLU OE2 O -10.429 -0.737 3.385 1.00 . A A . 6 GLU OE2 1 1 14 5740 1 1 7 LYS C C -7.135 0.937 -2.167 1.00 . A A . 7 LYS C 1 1 14 5741 1 1 7 LYS CA C -7.863 -0.277 -2.690 1.00 . A A . 7 LYS CA 1 1 14 5742 1 1 7 LYS CB C -9.014 0.156 -3.584 1.00 . A A . 7 LYS CB 1 1 14 5743 1 1 7 LYS CD C -10.654 -0.398 -5.349 1.00 . A A . 7 LYS CD 1 1 14 5744 1 1 7 LYS CE C -11.333 -1.475 -6.160 1.00 . A A . 7 LYS CE 1 1 14 5745 1 1 7 LYS CG C -9.667 -0.965 -4.360 1.00 . A A . 7 LYS CG 1 1 14 5746 1 1 7 LYS H H -9.241 -1.148 -1.351 1.00 . A A . 7 LYS H 1 1 14 5747 1 1 7 LYS HA H -7.171 -0.860 -3.278 1.00 . A A . 7 LYS HA 1 1 14 5748 1 1 7 LYS HB2 H -9.769 0.623 -2.969 1.00 . A A . 7 LYS HB2 1 1 14 5749 1 1 7 LYS HB3 H -8.643 0.886 -4.288 1.00 . A A . 7 LYS HB3 1 1 14 5750 1 1 7 LYS HD2 H -11.399 0.165 -4.809 1.00 . A A . 7 LYS HD2 1 1 14 5751 1 1 7 LYS HD3 H -10.127 0.268 -6.016 1.00 . A A . 7 LYS HD3 1 1 14 5752 1 1 7 LYS HE2 H -10.581 -2.072 -6.653 1.00 . A A . 7 LYS HE2 1 1 14 5753 1 1 7 LYS HE3 H -11.910 -2.096 -5.493 1.00 . A A . 7 LYS HE3 1 1 14 5754 1 1 7 LYS HG2 H -8.907 -1.519 -4.892 1.00 . A A . 7 LYS HG2 1 1 14 5755 1 1 7 LYS HG3 H -10.186 -1.620 -3.676 1.00 . A A . 7 LYS HG3 1 1 14 5756 1 1 7 LYS HZ1 H -12.997 -0.336 -6.743 1.00 . A A . 7 LYS HZ1 1 1 14 5757 1 1 7 LYS HZ2 H -12.681 -1.640 -7.749 1.00 . A A . 7 LYS HZ2 1 1 14 5758 1 1 7 LYS HZ3 H -11.717 -0.273 -7.831 1.00 . A A . 7 LYS HZ3 1 1 14 5759 1 1 7 LYS N N -8.293 -1.124 -1.600 1.00 . A A . 7 LYS N 1 1 14 5760 1 1 7 LYS NZ N -12.236 -0.895 -7.177 1.00 . A A . 7 LYS NZ 1 1 14 5761 1 1 7 LYS O O -7.395 1.402 -1.050 1.00 . A A . 7 LYS O 1 1 14 5762 1 1 8 CYS C C -5.747 3.783 -3.399 1.00 . A A . 8 CYS C 1 1 14 5763 1 1 8 CYS CA C -5.463 2.571 -2.554 1.00 . A A . 8 CYS CA 1 1 14 5764 1 1 8 CYS CB C -3.993 2.204 -2.653 1.00 . A A . 8 CYS CB 1 1 14 5765 1 1 8 CYS H H -6.127 1.102 -3.869 1.00 . A A . 8 CYS H 1 1 14 5766 1 1 8 CYS HA H -5.687 2.790 -1.521 1.00 . A A . 8 CYS HA 1 1 14 5767 1 1 8 CYS HB2 H -3.397 3.074 -2.420 1.00 . A A . 8 CYS HB2 1 1 14 5768 1 1 8 CYS HB3 H -3.774 1.425 -1.936 1.00 . A A . 8 CYS HB3 1 1 14 5769 1 1 8 CYS N N -6.264 1.461 -2.966 1.00 . A A . 8 CYS N 1 1 14 5770 1 1 8 CYS O O -5.938 3.684 -4.615 1.00 . A A . 8 CYS O 1 1 14 5771 1 1 8 CYS SG S -3.478 1.608 -4.296 1.00 . A A . 8 CYS SG 1 1 14 5772 1 1 9 SER C C -4.628 6.781 -3.701 1.00 . A A . 9 SER C 1 1 14 5773 1 1 9 SER CA C -6.012 6.162 -3.432 1.00 . A A . 9 SER CA 1 1 14 5774 1 1 9 SER CB C -6.832 7.077 -2.533 1.00 . A A . 9 SER CB 1 1 14 5775 1 1 9 SER H H -5.811 4.905 -1.766 1.00 . A A . 9 SER H 1 1 14 5776 1 1 9 SER HA H -6.540 5.995 -4.359 1.00 . A A . 9 SER HA 1 1 14 5777 1 1 9 SER HB2 H -6.191 7.490 -1.768 1.00 . A A . 9 SER HB2 1 1 14 5778 1 1 9 SER HB3 H -7.267 7.872 -3.119 1.00 . A A . 9 SER HB3 1 1 14 5779 1 1 9 SER HG H -7.452 5.885 -1.158 1.00 . A A . 9 SER HG 1 1 14 5780 1 1 9 SER N N -5.828 4.913 -2.753 1.00 . A A . 9 SER N 1 1 14 5781 1 1 9 SER O O -4.434 7.534 -4.657 1.00 . A A . 9 SER O 1 1 14 5782 1 1 9 SER OG O -7.886 6.340 -1.899 1.00 . A A . 9 SER OG 1 1 14 5783 1 1 10 ASP C C -1.458 5.958 -2.075 1.00 . A A . 10 ASP C 1 1 14 5784 1 1 10 ASP CA C -2.297 6.897 -2.923 1.00 . A A . 10 ASP CA 1 1 14 5785 1 1 10 ASP CB C -2.203 8.347 -2.371 1.00 . A A . 10 ASP CB 1 1 14 5786 1 1 10 ASP CG C -0.795 8.929 -2.418 1.00 . A A . 10 ASP CG 1 1 14 5787 1 1 10 ASP H H -3.868 5.747 -2.169 1.00 . A A . 10 ASP H 1 1 14 5788 1 1 10 ASP HA H -1.963 6.865 -3.948 1.00 . A A . 10 ASP HA 1 1 14 5789 1 1 10 ASP HB2 H -2.848 8.989 -2.952 1.00 . A A . 10 ASP HB2 1 1 14 5790 1 1 10 ASP HB3 H -2.538 8.348 -1.345 1.00 . A A . 10 ASP HB3 1 1 14 5791 1 1 10 ASP N N -3.672 6.411 -2.864 1.00 . A A . 10 ASP N 1 1 14 5792 1 1 10 ASP O O -2.018 5.118 -1.371 1.00 . A A . 10 ASP O 1 1 14 5793 1 1 10 ASP OD1 O -0.082 8.885 -1.390 1.00 . A A . 10 ASP OD1 1 1 14 5794 1 1 10 ASP OD2 O -0.369 9.411 -3.479 1.00 . A A . 10 ASP OD2 1 1 14 5795 1 1 11 ASP C C 0.586 5.543 0.136 1.00 . A A . 11 ASP C 1 1 14 5796 1 1 11 ASP CA C 0.755 5.252 -1.343 1.00 . A A . 11 ASP CA 1 1 14 5797 1 1 11 ASP CB C 2.212 5.490 -1.754 1.00 . A A . 11 ASP CB 1 1 14 5798 1 1 11 ASP CG C 2.456 5.216 -3.215 1.00 . A A . 11 ASP CG 1 1 14 5799 1 1 11 ASP H H 0.227 6.788 -2.701 1.00 . A A . 11 ASP H 1 1 14 5800 1 1 11 ASP HA H 0.499 4.219 -1.529 1.00 . A A . 11 ASP HA 1 1 14 5801 1 1 11 ASP HB2 H 2.470 6.519 -1.556 1.00 . A A . 11 ASP HB2 1 1 14 5802 1 1 11 ASP HB3 H 2.853 4.846 -1.170 1.00 . A A . 11 ASP HB3 1 1 14 5803 1 1 11 ASP N N -0.151 6.090 -2.124 1.00 . A A . 11 ASP N 1 1 14 5804 1 1 11 ASP O O 0.571 4.639 0.971 1.00 . A A . 11 ASP O 1 1 14 5805 1 1 11 ASP OD1 O 2.398 4.047 -3.628 1.00 . A A . 11 ASP OD1 1 1 14 5806 1 1 11 ASP OD2 O 2.700 6.176 -3.992 1.00 . A A . 11 ASP OD2 1 1 14 5807 1 1 12 TYR C C -1.223 7.080 2.284 1.00 . A A . 12 TYR C 1 1 14 5808 1 1 12 TYR CA C 0.215 7.228 1.842 1.00 . A A . 12 TYR CA 1 1 14 5809 1 1 12 TYR CB C 0.742 8.645 2.073 1.00 . A A . 12 TYR CB 1 1 14 5810 1 1 12 TYR CD1 C 2.987 8.963 3.188 1.00 . A A . 12 TYR CD1 1 1 14 5811 1 1 12 TYR CD2 C 2.945 8.574 0.845 1.00 . A A . 12 TYR CD2 1 1 14 5812 1 1 12 TYR CE1 C 4.366 9.028 3.154 1.00 . A A . 12 TYR CE1 1 1 14 5813 1 1 12 TYR CE2 C 4.313 8.638 0.800 1.00 . A A . 12 TYR CE2 1 1 14 5814 1 1 12 TYR CG C 2.254 8.736 2.031 1.00 . A A . 12 TYR CG 1 1 14 5815 1 1 12 TYR CZ C 5.021 8.865 1.954 1.00 . A A . 12 TYR CZ 1 1 14 5816 1 1 12 TYR H H 0.339 7.491 -0.251 1.00 . A A . 12 TYR H 1 1 14 5817 1 1 12 TYR HA H 0.800 6.541 2.436 1.00 . A A . 12 TYR HA 1 1 14 5818 1 1 12 TYR HB2 H 0.349 9.298 1.308 1.00 . A A . 12 TYR HB2 1 1 14 5819 1 1 12 TYR HB3 H 0.414 8.991 3.042 1.00 . A A . 12 TYR HB3 1 1 14 5820 1 1 12 TYR HD1 H 2.466 9.091 4.126 1.00 . A A . 12 TYR HD1 1 1 14 5821 1 1 12 TYR HD2 H 2.382 8.392 -0.058 1.00 . A A . 12 TYR HD2 1 1 14 5822 1 1 12 TYR HE1 H 4.923 9.206 4.062 1.00 . A A . 12 TYR HE1 1 1 14 5823 1 1 12 TYR HE2 H 4.828 8.510 -0.140 1.00 . A A . 12 TYR HE2 1 1 14 5824 1 1 12 TYR HH H 6.623 9.454 1.136 1.00 . A A . 12 TYR HH 1 1 14 5825 1 1 12 TYR N N 0.387 6.806 0.459 1.00 . A A . 12 TYR N 1 1 14 5826 1 1 12 TYR O O -1.593 7.449 3.392 1.00 . A A . 12 TYR O 1 1 14 5827 1 1 12 TYR OH O 6.389 8.923 1.907 1.00 . A A . 12 TYR OH 1 1 14 5828 1 1 13 ASP C C -3.440 4.794 2.304 1.00 . A A . 13 ASP C 1 1 14 5829 1 1 13 ASP CA C -3.405 6.210 1.729 1.00 . A A . 13 ASP CA 1 1 14 5830 1 1 13 ASP CB C -4.285 6.338 0.474 1.00 . A A . 13 ASP CB 1 1 14 5831 1 1 13 ASP CG C -5.742 5.983 0.685 1.00 . A A . 13 ASP CG 1 1 14 5832 1 1 13 ASP H H -1.684 6.335 0.514 1.00 . A A . 13 ASP H 1 1 14 5833 1 1 13 ASP HA H -3.741 6.901 2.489 1.00 . A A . 13 ASP HA 1 1 14 5834 1 1 13 ASP HB2 H -4.243 7.358 0.122 1.00 . A A . 13 ASP HB2 1 1 14 5835 1 1 13 ASP HB3 H -3.882 5.692 -0.291 1.00 . A A . 13 ASP HB3 1 1 14 5836 1 1 13 ASP N N -2.029 6.533 1.411 1.00 . A A . 13 ASP N 1 1 14 5837 1 1 13 ASP O O -4.413 4.365 2.897 1.00 . A A . 13 ASP O 1 1 14 5838 1 1 13 ASP OD1 O -6.270 5.134 -0.061 1.00 . A A . 13 ASP OD1 1 1 14 5839 1 1 13 ASP OD2 O -6.394 6.557 1.576 1.00 . A A . 13 ASP OD2 1 1 14 5840 1 1 14 CYS C C -1.406 2.810 4.002 1.00 . A A . 14 CYS C 1 1 14 5841 1 1 14 CYS CA C -2.164 2.764 2.685 1.00 . A A . 14 CYS CA 1 1 14 5842 1 1 14 CYS CB C -1.403 1.913 1.685 1.00 . A A . 14 CYS CB 1 1 14 5843 1 1 14 CYS H H -1.571 4.513 1.694 1.00 . A A . 14 CYS H 1 1 14 5844 1 1 14 CYS HA H -3.143 2.334 2.844 1.00 . A A . 14 CYS HA 1 1 14 5845 1 1 14 CYS HB2 H -0.407 2.313 1.561 1.00 . A A . 14 CYS HB2 1 1 14 5846 1 1 14 CYS HB3 H -1.340 0.906 2.067 1.00 . A A . 14 CYS HB3 1 1 14 5847 1 1 14 CYS N N -2.327 4.106 2.167 1.00 . A A . 14 CYS N 1 1 14 5848 1 1 14 CYS O O -0.466 3.611 4.157 1.00 . A A . 14 CYS O 1 1 14 5849 1 1 14 CYS SG S -2.181 1.842 0.054 1.00 . A A . 14 CYS SG 1 1 14 5850 1 1 15 CYS C C 0.200 1.321 6.205 1.00 . A A . 15 CYS C 1 1 14 5851 1 1 15 CYS CA C -1.212 1.904 6.265 1.00 . A A . 15 CYS CA 1 1 14 5852 1 1 15 CYS CB C -2.075 1.030 7.174 1.00 . A A . 15 CYS CB 1 1 14 5853 1 1 15 CYS H H -2.571 1.372 4.740 1.00 . A A . 15 CYS H 1 1 14 5854 1 1 15 CYS HA H -1.175 2.899 6.680 1.00 . A A . 15 CYS HA 1 1 14 5855 1 1 15 CYS HB2 H -2.094 0.027 6.773 1.00 . A A . 15 CYS HB2 1 1 14 5856 1 1 15 CYS HB3 H -1.630 1.010 8.159 1.00 . A A . 15 CYS HB3 1 1 14 5857 1 1 15 CYS N N -1.818 1.977 4.937 1.00 . A A . 15 CYS N 1 1 14 5858 1 1 15 CYS O O 0.547 0.619 5.251 1.00 . A A . 15 CYS O 1 1 14 5859 1 1 15 CYS SG S -3.809 1.581 7.352 1.00 . A A . 15 CYS SG 1 1 14 5860 1 1 16 GLY C C 3.227 1.317 6.133 1.00 . A A . 16 GLY C 1 1 14 5861 1 1 16 GLY CA C 2.348 1.106 7.347 1.00 . A A . 16 GLY CA 1 1 14 5862 1 1 16 GLY H H 0.696 2.281 7.889 1.00 . A A . 16 GLY H 1 1 14 5863 1 1 16 GLY HA2 H 2.821 1.579 8.195 1.00 . A A . 16 GLY HA2 1 1 14 5864 1 1 16 GLY HA3 H 2.275 0.048 7.546 1.00 . A A . 16 GLY HA3 1 1 14 5865 1 1 16 GLY N N 1.007 1.646 7.209 1.00 . A A . 16 GLY N 1 1 14 5866 1 1 16 GLY O O 3.178 2.364 5.486 1.00 . A A . 16 GLY O 1 1 14 5867 1 1 17 SER C C 4.282 -0.054 3.366 1.00 . A A . 17 SER C 1 1 14 5868 1 1 17 SER CA C 4.921 0.368 4.703 1.00 . A A . 17 SER CA 1 1 14 5869 1 1 17 SER CB C 6.123 -0.509 5.046 1.00 . A A . 17 SER CB 1 1 14 5870 1 1 17 SER H H 3.974 -0.513 6.338 1.00 . A A . 17 SER H 1 1 14 5871 1 1 17 SER HA H 5.267 1.386 4.614 1.00 . A A . 17 SER HA 1 1 14 5872 1 1 17 SER HB2 H 6.739 -0.637 4.168 1.00 . A A . 17 SER HB2 1 1 14 5873 1 1 17 SER HB3 H 6.699 -0.039 5.830 1.00 . A A . 17 SER HB3 1 1 14 5874 1 1 17 SER HG H 6.255 -2.052 6.243 1.00 . A A . 17 SER HG 1 1 14 5875 1 1 17 SER N N 3.993 0.313 5.806 1.00 . A A . 17 SER N 1 1 14 5876 1 1 17 SER O O 4.982 -0.179 2.344 1.00 . A A . 17 SER O 1 1 14 5877 1 1 17 SER OG O 5.688 -1.789 5.503 1.00 . A A . 17 SER OG 1 1 14 5878 1 1 18 LEU C C 2.303 0.446 1.118 1.00 . A A . 18 LEU C 1 1 14 5879 1 1 18 LEU CA C 2.239 -0.649 2.162 1.00 . A A . 18 LEU CA 1 1 14 5880 1 1 18 LEU CB C 0.770 -0.930 2.461 1.00 . A A . 18 LEU CB 1 1 14 5881 1 1 18 LEU CD1 C -1.052 -2.077 3.679 1.00 . A A . 18 LEU CD1 1 1 14 5882 1 1 18 LEU CD2 C 1.032 -3.336 3.140 1.00 . A A . 18 LEU CD2 1 1 14 5883 1 1 18 LEU CG C 0.448 -1.983 3.510 1.00 . A A . 18 LEU CG 1 1 14 5884 1 1 18 LEU H H 2.451 -0.080 4.189 1.00 . A A . 18 LEU H 1 1 14 5885 1 1 18 LEU HA H 2.698 -1.545 1.773 1.00 . A A . 18 LEU HA 1 1 14 5886 1 1 18 LEU HB2 H 0.335 -0.001 2.798 1.00 . A A . 18 LEU HB2 1 1 14 5887 1 1 18 LEU HB3 H 0.290 -1.213 1.536 1.00 . A A . 18 LEU HB3 1 1 14 5888 1 1 18 LEU HD11 H -1.295 -2.827 4.416 1.00 . A A . 18 LEU HD11 1 1 14 5889 1 1 18 LEU HD12 H -1.501 -2.351 2.737 1.00 . A A . 18 LEU HD12 1 1 14 5890 1 1 18 LEU HD13 H -1.439 -1.121 3.998 1.00 . A A . 18 LEU HD13 1 1 14 5891 1 1 18 LEU HD21 H 0.770 -4.062 3.896 1.00 . A A . 18 LEU HD21 1 1 14 5892 1 1 18 LEU HD22 H 2.107 -3.259 3.078 1.00 . A A . 18 LEU HD22 1 1 14 5893 1 1 18 LEU HD23 H 0.638 -3.652 2.185 1.00 . A A . 18 LEU HD23 1 1 14 5894 1 1 18 LEU HG H 0.869 -1.667 4.451 1.00 . A A . 18 LEU HG 1 1 14 5895 1 1 18 LEU N N 2.960 -0.241 3.366 1.00 . A A . 18 LEU N 1 1 14 5896 1 1 18 LEU O O 2.323 1.640 1.454 1.00 . A A . 18 LEU O 1 1 14 5897 1 1 19 CYS C C 1.179 0.764 -2.099 1.00 . A A . 19 CYS C 1 1 14 5898 1 1 19 CYS CA C 2.368 0.973 -1.205 1.00 . A A . 19 CYS CA 1 1 14 5899 1 1 19 CYS CB C 3.676 0.801 -1.970 1.00 . A A . 19 CYS CB 1 1 14 5900 1 1 19 CYS H H 2.223 -0.905 -0.323 1.00 . A A . 19 CYS H 1 1 14 5901 1 1 19 CYS HA H 2.327 1.973 -0.798 1.00 . A A . 19 CYS HA 1 1 14 5902 1 1 19 CYS HB2 H 3.761 -0.223 -2.299 1.00 . A A . 19 CYS HB2 1 1 14 5903 1 1 19 CYS HB3 H 3.674 1.455 -2.829 1.00 . A A . 19 CYS HB3 1 1 14 5904 1 1 19 CYS N N 2.303 0.052 -0.112 1.00 . A A . 19 CYS N 1 1 14 5905 1 1 19 CYS O O 0.504 -0.281 -2.015 1.00 . A A . 19 CYS O 1 1 14 5906 1 1 19 CYS SG S 5.149 1.190 -0.977 1.00 . A A . 19 CYS SG 1 1 14 5907 1 1 20 CYS C C 0.101 1.031 -5.109 1.00 . A A . 20 CYS C 1 1 14 5908 1 1 20 CYS CA C -0.249 1.656 -3.775 1.00 . A A . 20 CYS CA 1 1 14 5909 1 1 20 CYS CB C -0.846 3.045 -3.965 1.00 . A A . 20 CYS CB 1 1 14 5910 1 1 20 CYS H H 1.488 2.513 -3.031 1.00 . A A . 20 CYS H 1 1 14 5911 1 1 20 CYS HA H -0.982 1.034 -3.283 1.00 . A A . 20 CYS HA 1 1 14 5912 1 1 20 CYS HB2 H -1.128 3.437 -2.999 1.00 . A A . 20 CYS HB2 1 1 14 5913 1 1 20 CYS HB3 H -0.102 3.694 -4.399 1.00 . A A . 20 CYS HB3 1 1 14 5914 1 1 20 CYS N N 0.901 1.726 -2.936 1.00 . A A . 20 CYS N 1 1 14 5915 1 1 20 CYS O O 0.954 1.533 -5.853 1.00 . A A . 20 CYS O 1 1 14 5916 1 1 20 CYS SG S -2.328 3.100 -5.021 1.00 . A A . 20 CYS SG 1 1 14 5917 1 1 21 VAL C C -1.767 -1.341 -6.977 1.00 . A A . 21 VAL C 1 1 14 5918 1 1 21 VAL CA C -0.383 -0.778 -6.620 1.00 . A A . 21 VAL CA 1 1 14 5919 1 1 21 VAL CB C 0.762 -1.860 -6.557 1.00 . A A . 21 VAL CB 1 1 14 5920 1 1 21 VAL CG1 C 0.580 -2.837 -5.396 1.00 . A A . 21 VAL CG1 1 1 14 5921 1 1 21 VAL CG2 C 0.933 -2.595 -7.888 1.00 . A A . 21 VAL CG2 1 1 14 5922 1 1 21 VAL H H -1.108 -0.470 -4.691 1.00 . A A . 21 VAL H 1 1 14 5923 1 1 21 VAL HA H -0.141 -0.026 -7.360 1.00 . A A . 21 VAL HA 1 1 14 5924 1 1 21 VAL HB H 1.676 -1.320 -6.354 1.00 . A A . 21 VAL HB 1 1 14 5925 1 1 21 VAL HG11 H 1.386 -3.556 -5.398 1.00 . A A . 21 VAL HG11 1 1 14 5926 1 1 21 VAL HG12 H -0.365 -3.348 -5.500 1.00 . A A . 21 VAL HG12 1 1 14 5927 1 1 21 VAL HG13 H 0.588 -2.290 -4.464 1.00 . A A . 21 VAL HG13 1 1 14 5928 1 1 21 VAL HG21 H 1.723 -3.325 -7.797 1.00 . A A . 21 VAL HG21 1 1 14 5929 1 1 21 VAL HG22 H 1.186 -1.886 -8.661 1.00 . A A . 21 VAL HG22 1 1 14 5930 1 1 21 VAL HG23 H 0.010 -3.092 -8.143 1.00 . A A . 21 VAL HG23 1 1 14 5931 1 1 21 VAL N N -0.515 -0.079 -5.374 1.00 . A A . 21 VAL N 1 1 14 5932 1 1 21 VAL O O -2.031 -2.564 -6.966 1.00 . A A . 21 VAL O 1 1 14 5933 1 1 22 GLY C C -4.761 -0.927 -6.022 1.00 . A A . 22 GLY C 1 1 14 5934 1 1 22 GLY CA C -4.095 -0.748 -7.366 1.00 . A A . 22 GLY CA 1 1 14 5935 1 1 22 GLY H H -2.429 0.530 -7.164 1.00 . A A . 22 GLY H 1 1 14 5936 1 1 22 GLY HA2 H -4.580 0.050 -7.906 1.00 . A A . 22 GLY HA2 1 1 14 5937 1 1 22 GLY HA3 H -4.177 -1.670 -7.922 1.00 . A A . 22 GLY HA3 1 1 14 5938 1 1 22 GLY N N -2.695 -0.415 -7.165 1.00 . A A . 22 GLY N 1 1 14 5939 1 1 22 GLY O O -5.784 -0.284 -5.697 1.00 . A A . 22 GLY O 1 1 14 5940 1 1 23 ILE C C -3.349 -1.791 -2.997 1.00 . A A . 23 ILE C 1 1 14 5941 1 1 23 ILE CA C -4.546 -2.031 -3.895 1.00 . A A . 23 ILE CA 1 1 14 5942 1 1 23 ILE CB C -5.041 -3.492 -3.707 1.00 . A A . 23 ILE CB 1 1 14 5943 1 1 23 ILE CD1 C -4.313 -5.953 -3.886 1.00 . A A . 23 ILE CD1 1 1 14 5944 1 1 23 ILE CG1 C -3.948 -4.501 -4.122 1.00 . A A . 23 ILE CG1 1 1 14 5945 1 1 23 ILE CG2 C -6.324 -3.723 -4.492 1.00 . A A . 23 ILE CG2 1 1 14 5946 1 1 23 ILE H H -3.364 -2.235 -5.582 1.00 . A A . 23 ILE H 1 1 14 5947 1 1 23 ILE HA H -5.336 -1.349 -3.625 1.00 . A A . 23 ILE HA 1 1 14 5948 1 1 23 ILE HB H -5.267 -3.633 -2.659 1.00 . A A . 23 ILE HB 1 1 14 5949 1 1 23 ILE HD11 H -4.472 -6.118 -2.831 1.00 . A A . 23 ILE HD11 1 1 14 5950 1 1 23 ILE HD12 H -3.512 -6.587 -4.235 1.00 . A A . 23 ILE HD12 1 1 14 5951 1 1 23 ILE HD13 H -5.219 -6.186 -4.426 1.00 . A A . 23 ILE HD13 1 1 14 5952 1 1 23 ILE HG12 H -3.749 -4.384 -5.178 1.00 . A A . 23 ILE HG12 1 1 14 5953 1 1 23 ILE HG13 H -3.046 -4.287 -3.569 1.00 . A A . 23 ILE HG13 1 1 14 5954 1 1 23 ILE HG21 H -6.140 -3.539 -5.540 1.00 . A A . 23 ILE HG21 1 1 14 5955 1 1 23 ILE HG22 H -7.091 -3.050 -4.137 1.00 . A A . 23 ILE HG22 1 1 14 5956 1 1 23 ILE HG23 H -6.647 -4.744 -4.357 1.00 . A A . 23 ILE HG23 1 1 14 5957 1 1 23 ILE N N -4.155 -1.768 -5.235 1.00 . A A . 23 ILE N 1 1 14 5958 1 1 23 ILE O O -2.210 -1.658 -3.489 1.00 . A A . 23 ILE O 1 1 14 5959 1 1 24 CYS C C -1.916 -2.910 -0.540 1.00 . A A . 24 CYS C 1 1 14 5960 1 1 24 CYS CA C -2.551 -1.563 -0.768 1.00 . A A . 24 CYS CA 1 1 14 5961 1 1 24 CYS CB C -3.099 -0.994 0.536 1.00 . A A . 24 CYS CB 1 1 14 5962 1 1 24 CYS H H -4.527 -1.742 -1.417 1.00 . A A . 24 CYS H 1 1 14 5963 1 1 24 CYS HA H -1.812 -0.885 -1.170 1.00 . A A . 24 CYS HA 1 1 14 5964 1 1 24 CYS HB2 H -3.869 -1.651 0.912 1.00 . A A . 24 CYS HB2 1 1 14 5965 1 1 24 CYS HB3 H -2.298 -0.939 1.258 1.00 . A A . 24 CYS HB3 1 1 14 5966 1 1 24 CYS N N -3.594 -1.707 -1.731 1.00 . A A . 24 CYS N 1 1 14 5967 1 1 24 CYS O O -2.567 -3.853 -0.047 1.00 . A A . 24 CYS O 1 1 14 5968 1 1 24 CYS SG S -3.809 0.672 0.365 1.00 . A A . 24 CYS SG 1 1 14 5969 1 1 25 ALA C C 1.449 -3.932 -0.394 1.00 . A A . 25 ALA C 1 1 14 5970 1 1 25 ALA CA C 0.043 -4.248 -0.819 1.00 . A A . 25 ALA CA 1 1 14 5971 1 1 25 ALA CB C 0.040 -5.009 -2.140 1.00 . A A . 25 ALA CB 1 1 14 5972 1 1 25 ALA H H -0.233 -2.250 -1.349 1.00 . A A . 25 ALA H 1 1 14 5973 1 1 25 ALA HA H -0.435 -4.858 -0.066 1.00 . A A . 25 ALA HA 1 1 14 5974 1 1 25 ALA HB1 H -0.978 -5.231 -2.426 1.00 . A A . 25 ALA HB1 1 1 14 5975 1 1 25 ALA HB2 H 0.591 -5.931 -2.025 1.00 . A A . 25 ALA HB2 1 1 14 5976 1 1 25 ALA HB3 H 0.506 -4.405 -2.904 1.00 . A A . 25 ALA HB3 1 1 14 5977 1 1 25 ALA N N -0.687 -3.026 -0.948 1.00 . A A . 25 ALA N 1 1 14 5978 1 1 25 ALA O O 1.902 -2.777 -0.520 1.00 . A A . 25 ALA O 1 1 14 5979 1 1 26 LYS C C 4.372 -5.009 -0.646 1.00 . A A . 26 LYS C 1 1 14 5980 1 1 26 LYS CA C 3.479 -4.730 0.542 1.00 . A A . 26 LYS CA 1 1 14 5981 1 1 26 LYS CB C 3.822 -5.654 1.720 1.00 . A A . 26 LYS CB 1 1 14 5982 1 1 26 LYS CD C 5.458 -4.091 2.830 1.00 . A A . 26 LYS CD 1 1 14 5983 1 1 26 LYS CE C 6.897 -3.897 3.276 1.00 . A A . 26 LYS CE 1 1 14 5984 1 1 26 LYS CG C 5.236 -5.482 2.260 1.00 . A A . 26 LYS CG 1 1 14 5985 1 1 26 LYS H H 1.721 -5.796 0.232 1.00 . A A . 26 LYS H 1 1 14 5986 1 1 26 LYS HA H 3.599 -3.700 0.843 1.00 . A A . 26 LYS HA 1 1 14 5987 1 1 26 LYS HB2 H 3.130 -5.464 2.527 1.00 . A A . 26 LYS HB2 1 1 14 5988 1 1 26 LYS HB3 H 3.708 -6.678 1.398 1.00 . A A . 26 LYS HB3 1 1 14 5989 1 1 26 LYS HD2 H 5.228 -3.357 2.073 1.00 . A A . 26 LYS HD2 1 1 14 5990 1 1 26 LYS HD3 H 4.805 -3.951 3.677 1.00 . A A . 26 LYS HD3 1 1 14 5991 1 1 26 LYS HE2 H 7.000 -2.913 3.708 1.00 . A A . 26 LYS HE2 1 1 14 5992 1 1 26 LYS HE3 H 7.132 -4.641 4.024 1.00 . A A . 26 LYS HE3 1 1 14 5993 1 1 26 LYS HG2 H 5.407 -6.208 3.041 1.00 . A A . 26 LYS HG2 1 1 14 5994 1 1 26 LYS HG3 H 5.937 -5.648 1.454 1.00 . A A . 26 LYS HG3 1 1 14 5995 1 1 26 LYS HZ1 H 8.815 -3.852 2.481 1.00 . A A . 26 LYS HZ1 1 1 14 5996 1 1 26 LYS HZ2 H 7.630 -3.368 1.376 1.00 . A A . 26 LYS HZ2 1 1 14 5997 1 1 26 LYS HZ3 H 7.826 -4.991 1.761 1.00 . A A . 26 LYS HZ3 1 1 14 5998 1 1 26 LYS N N 2.126 -4.907 0.132 1.00 . A A . 26 LYS N 1 1 14 5999 1 1 26 LYS NZ N 7.846 -4.027 2.152 1.00 . A A . 26 LYS NZ 1 1 14 6000 1 1 26 LYS O O 4.453 -6.140 -1.128 1.00 . A A . 26 LYS O 1 1 14 6001 1 1 27 THR C C 7.238 -4.527 -1.825 1.00 . A A . 27 THR C 1 1 14 6002 1 1 27 THR CA C 5.846 -4.083 -2.265 1.00 . A A . 27 THR CA 1 1 14 6003 1 1 27 THR CB C 5.913 -2.719 -2.970 1.00 . A A . 27 THR CB 1 1 14 6004 1 1 27 THR CG2 C 4.577 -2.388 -3.626 1.00 . A A . 27 THR CG2 1 1 14 6005 1 1 27 THR H H 4.873 -3.091 -0.750 1.00 . A A . 27 THR H 1 1 14 6006 1 1 27 THR HA H 5.434 -4.805 -2.954 1.00 . A A . 27 THR HA 1 1 14 6007 1 1 27 THR HB H 6.684 -2.753 -3.724 1.00 . A A . 27 THR HB 1 1 14 6008 1 1 27 THR HG1 H 7.023 -1.239 -2.329 1.00 . A A . 27 THR HG1 1 1 14 6009 1 1 27 THR HG21 H 4.335 -3.143 -4.360 1.00 . A A . 27 THR HG21 1 1 14 6010 1 1 27 THR HG22 H 4.638 -1.424 -4.108 1.00 . A A . 27 THR HG22 1 1 14 6011 1 1 27 THR HG23 H 3.805 -2.365 -2.870 1.00 . A A . 27 THR HG23 1 1 14 6012 1 1 27 THR N N 4.984 -3.984 -1.139 1.00 . A A . 27 THR N 1 1 14 6013 1 1 27 THR O O 7.582 -4.443 -0.629 1.00 . A A . 27 THR O 1 1 14 6014 1 1 27 THR OG1 O 6.233 -1.697 -2.002 1.00 . A A . 27 THR OG1 1 1 14 6015 1 1 28 ILE C C 10.212 -4.179 -2.265 1.00 . A A . 28 ILE C 1 1 14 6016 1 1 28 ILE CA C 9.373 -5.428 -2.486 1.00 . A A . 28 ILE CA 1 1 14 6017 1 1 28 ILE CB C 9.958 -6.256 -3.666 1.00 . A A . 28 ILE CB 1 1 14 6018 1 1 28 ILE CD1 C 9.502 -8.309 -5.149 1.00 . A A . 28 ILE CD1 1 1 14 6019 1 1 28 ILE CG1 C 9.055 -7.471 -3.964 1.00 . A A . 28 ILE CG1 1 1 14 6020 1 1 28 ILE CG2 C 11.386 -6.705 -3.354 1.00 . A A . 28 ILE CG2 1 1 14 6021 1 1 28 ILE H H 7.693 -5.068 -3.687 1.00 . A A . 28 ILE H 1 1 14 6022 1 1 28 ILE HA H 9.371 -6.027 -1.588 1.00 . A A . 28 ILE HA 1 1 14 6023 1 1 28 ILE HB H 9.993 -5.624 -4.541 1.00 . A A . 28 ILE HB 1 1 14 6024 1 1 28 ILE HD11 H 10.495 -8.690 -4.965 1.00 . A A . 28 ILE HD11 1 1 14 6025 1 1 28 ILE HD12 H 9.510 -7.697 -6.039 1.00 . A A . 28 ILE HD12 1 1 14 6026 1 1 28 ILE HD13 H 8.820 -9.134 -5.284 1.00 . A A . 28 ILE HD13 1 1 14 6027 1 1 28 ILE HG12 H 9.033 -8.117 -3.100 1.00 . A A . 28 ILE HG12 1 1 14 6028 1 1 28 ILE HG13 H 8.054 -7.120 -4.164 1.00 . A A . 28 ILE HG13 1 1 14 6029 1 1 28 ILE HG21 H 11.770 -7.287 -4.179 1.00 . A A . 28 ILE HG21 1 1 14 6030 1 1 28 ILE HG22 H 11.390 -7.306 -2.457 1.00 . A A . 28 ILE HG22 1 1 14 6031 1 1 28 ILE HG23 H 12.010 -5.837 -3.205 1.00 . A A . 28 ILE HG23 1 1 14 6032 1 1 28 ILE N N 8.022 -5.008 -2.764 1.00 . A A . 28 ILE N 1 1 14 6033 1 1 28 ILE O O 10.944 -4.064 -1.275 1.00 . A A . 28 ILE O 1 1 14 6034 1 1 29 ALA C C 9.867 -0.977 -2.319 1.00 . A A . 29 ALA C 1 1 14 6035 1 1 29 ALA CA C 10.757 -1.978 -3.060 1.00 . A A . 29 ALA CA 1 1 14 6036 1 1 29 ALA CB C 11.111 -1.457 -4.447 1.00 . A A . 29 ALA CB 1 1 14 6037 1 1 29 ALA H H 9.457 -3.394 -3.917 1.00 . A A . 29 ALA H 1 1 14 6038 1 1 29 ALA HA H 11.667 -2.148 -2.507 1.00 . A A . 29 ALA HA 1 1 14 6039 1 1 29 ALA HB1 H 11.630 -0.515 -4.358 1.00 . A A . 29 ALA HB1 1 1 14 6040 1 1 29 ALA HB2 H 10.208 -1.321 -5.022 1.00 . A A . 29 ALA HB2 1 1 14 6041 1 1 29 ALA HB3 H 11.749 -2.172 -4.946 1.00 . A A . 29 ALA HB3 1 1 14 6042 1 1 29 ALA N N 10.066 -3.237 -3.163 1.00 . A A . 29 ALA N 1 1 14 6043 1 1 29 ALA O O 8.714 -0.746 -2.731 1.00 . A A . 29 ALA O 1 1 14 6044 1 1 30 PRO C C 9.393 1.877 -1.196 1.00 . A A . 30 PRO C 1 1 14 6045 1 1 30 PRO CA C 9.593 0.576 -0.412 1.00 . A A . 30 PRO CA 1 1 14 6046 1 1 30 PRO CB C 10.482 0.833 0.812 1.00 . A A . 30 PRO CB 1 1 14 6047 1 1 30 PRO CD C 11.642 -0.726 -0.566 1.00 . A A . 30 PRO CD 1 1 14 6048 1 1 30 PRO CG C 11.431 -0.312 0.853 1.00 . A A . 30 PRO CG 1 1 14 6049 1 1 30 PRO HA H 8.633 0.191 -0.101 1.00 . A A . 30 PRO HA 1 1 14 6050 1 1 30 PRO HB2 H 11.001 1.770 0.680 1.00 . A A . 30 PRO HB2 1 1 14 6051 1 1 30 PRO HB3 H 9.875 0.877 1.705 1.00 . A A . 30 PRO HB3 1 1 14 6052 1 1 30 PRO HD2 H 12.443 -0.155 -1.014 1.00 . A A . 30 PRO HD2 1 1 14 6053 1 1 30 PRO HD3 H 11.853 -1.784 -0.603 1.00 . A A . 30 PRO HD3 1 1 14 6054 1 1 30 PRO HG2 H 12.366 -0.001 1.297 1.00 . A A . 30 PRO HG2 1 1 14 6055 1 1 30 PRO HG3 H 11.001 -1.126 1.419 1.00 . A A . 30 PRO HG3 1 1 14 6056 1 1 30 PRO N N 10.345 -0.420 -1.191 1.00 . A A . 30 PRO N 1 1 14 6057 1 1 30 PRO O O 10.298 2.335 -1.909 1.00 . A A . 30 PRO O 1 1 14 6058 1 1 31 CYS C C 7.956 4.882 -0.860 1.00 . A A . 31 CYS C 1 1 14 6059 1 1 31 CYS CA C 7.895 3.674 -1.784 1.00 . A A . 31 CYS CA 1 1 14 6060 1 1 31 CYS CB C 6.489 3.541 -2.356 1.00 . A A . 31 CYS CB 1 1 14 6061 1 1 31 CYS H H 7.558 2.073 -0.465 1.00 . A A . 31 CYS H 1 1 14 6062 1 1 31 CYS HA H 8.591 3.798 -2.599 1.00 . A A . 31 CYS HA 1 1 14 6063 1 1 31 CYS HB2 H 6.221 4.458 -2.859 1.00 . A A . 31 CYS HB2 1 1 14 6064 1 1 31 CYS HB3 H 6.465 2.723 -3.060 1.00 . A A . 31 CYS HB3 1 1 14 6065 1 1 31 CYS N N 8.234 2.460 -1.064 1.00 . A A . 31 CYS N 1 1 14 6066 1 1 31 CYS O O 7.915 6.038 -1.311 1.00 . A A . 31 CYS O 1 1 14 6067 1 1 31 CYS SG S 5.226 3.211 -1.077 1.00 . A A . 31 CYS SG 1 1 14 6068 1 1 32 LYS C C 9.464 5.826 1.954 1.00 . A A . 32 LYS C 1 1 14 6069 1 1 32 LYS CA C 8.063 5.676 1.400 1.00 . A A . 32 LYS CA 1 1 14 6070 1 1 32 LYS CB C 7.058 5.359 2.514 1.00 . A A . 32 LYS CB 1 1 14 6071 1 1 32 LYS CD C 4.683 4.740 3.111 1.00 . A A . 32 LYS CD 1 1 14 6072 1 1 32 LYS CE C 3.310 4.435 2.541 1.00 . A A . 32 LYS CE 1 1 14 6073 1 1 32 LYS CG C 5.642 5.135 2.004 1.00 . A A . 32 LYS CG 1 1 14 6074 1 1 32 LYS H H 8.140 3.701 0.732 1.00 . A A . 32 LYS H 1 1 14 6075 1 1 32 LYS HA H 7.775 6.596 0.912 1.00 . A A . 32 LYS HA 1 1 14 6076 1 1 32 LYS HB2 H 7.381 4.466 3.026 1.00 . A A . 32 LYS HB2 1 1 14 6077 1 1 32 LYS HB3 H 7.042 6.181 3.215 1.00 . A A . 32 LYS HB3 1 1 14 6078 1 1 32 LYS HD2 H 5.062 3.862 3.614 1.00 . A A . 32 LYS HD2 1 1 14 6079 1 1 32 LYS HD3 H 4.600 5.556 3.814 1.00 . A A . 32 LYS HD3 1 1 14 6080 1 1 32 LYS HE2 H 2.936 5.318 2.045 1.00 . A A . 32 LYS HE2 1 1 14 6081 1 1 32 LYS HE3 H 3.408 3.638 1.818 1.00 . A A . 32 LYS HE3 1 1 14 6082 1 1 32 LYS HG2 H 5.287 6.050 1.551 1.00 . A A . 32 LYS HG2 1 1 14 6083 1 1 32 LYS HG3 H 5.662 4.354 1.258 1.00 . A A . 32 LYS HG3 1 1 14 6084 1 1 32 LYS HZ1 H 1.436 3.738 3.146 1.00 . A A . 32 LYS HZ1 1 1 14 6085 1 1 32 LYS HZ2 H 2.136 4.804 4.235 1.00 . A A . 32 LYS HZ2 1 1 14 6086 1 1 32 LYS HZ3 H 2.697 3.232 4.145 1.00 . A A . 32 LYS HZ3 1 1 14 6087 1 1 32 LYS N N 8.055 4.627 0.419 1.00 . A A . 32 LYS N 1 1 14 6088 1 1 32 LYS NZ N 2.338 4.029 3.576 1.00 . A A . 32 LYS NZ 1 1 14 6089 1 1 32 LYS O O 10.199 6.716 1.509 1.00 . A A . 32 LYS O 1 1 14 6090 1 1 32 LYS OXT O 9.872 5.013 2.800 1.00 . A A . 32 LYS OXT 1 1 15 6091 1 1 1 CYS C C -6.129 3.131 5.592 1.00 . A A . 1 CYS C 1 1 15 6092 1 1 1 CYS CA C -5.543 4.450 6.045 1.00 . A A . 1 CYS CA 1 1 15 6093 1 1 1 CYS CB C -4.074 4.278 6.484 1.00 . A A . 1 CYS CB 1 1 15 6094 1 1 1 CYS H1 H -6.304 4.318 7.928 1.00 . A A . 1 CYS H1 1 1 15 6095 1 1 1 CYS H2 H -7.331 5.053 6.824 1.00 . A A . 1 CYS H2 1 1 15 6096 1 1 1 CYS H3 H -5.989 5.913 7.446 1.00 . A A . 1 CYS H3 1 1 15 6097 1 1 1 CYS HA H -5.589 5.138 5.215 1.00 . A A . 1 CYS HA 1 1 15 6098 1 1 1 CYS HB2 H -3.521 3.814 5.680 1.00 . A A . 1 CYS HB2 1 1 15 6099 1 1 1 CYS HB3 H -3.650 5.251 6.682 1.00 . A A . 1 CYS HB3 1 1 15 6100 1 1 1 CYS N N -6.340 4.986 7.134 1.00 . A A . 1 CYS N 1 1 15 6101 1 1 1 CYS O O -6.813 2.450 6.369 1.00 . A A . 1 CYS O 1 1 15 6102 1 1 1 CYS SG S -3.818 3.248 7.978 1.00 . A A . 1 CYS SG 1 1 15 6103 1 1 2 ALA C C -5.404 0.420 4.151 1.00 . A A . 2 ALA C 1 1 15 6104 1 1 2 ALA CA C -6.378 1.539 3.804 1.00 . A A . 2 ALA CA 1 1 15 6105 1 1 2 ALA CB C -6.569 1.661 2.305 1.00 . A A . 2 ALA CB 1 1 15 6106 1 1 2 ALA H H -5.368 3.374 3.763 1.00 . A A . 2 ALA H 1 1 15 6107 1 1 2 ALA HA H -7.332 1.324 4.263 1.00 . A A . 2 ALA HA 1 1 15 6108 1 1 2 ALA HB1 H -7.254 2.467 2.092 1.00 . A A . 2 ALA HB1 1 1 15 6109 1 1 2 ALA HB2 H -6.970 0.737 1.914 1.00 . A A . 2 ALA HB2 1 1 15 6110 1 1 2 ALA HB3 H -5.617 1.866 1.837 1.00 . A A . 2 ALA HB3 1 1 15 6111 1 1 2 ALA N N -5.896 2.781 4.347 1.00 . A A . 2 ALA N 1 1 15 6112 1 1 2 ALA O O -4.175 0.601 4.075 1.00 . A A . 2 ALA O 1 1 15 6113 1 1 3 VAL C C -4.810 -2.720 3.770 1.00 . A A . 3 VAL C 1 1 15 6114 1 1 3 VAL CA C -5.123 -1.829 4.962 1.00 . A A . 3 VAL CA 1 1 15 6115 1 1 3 VAL CB C -5.806 -2.668 6.084 1.00 . A A . 3 VAL CB 1 1 15 6116 1 1 3 VAL CG1 C -6.060 -1.820 7.321 1.00 . A A . 3 VAL CG1 1 1 15 6117 1 1 3 VAL CG2 C -7.098 -3.311 5.590 1.00 . A A . 3 VAL CG2 1 1 15 6118 1 1 3 VAL H H -6.919 -0.791 4.549 1.00 . A A . 3 VAL H 1 1 15 6119 1 1 3 VAL HA H -4.192 -1.435 5.345 1.00 . A A . 3 VAL HA 1 1 15 6120 1 1 3 VAL HB H -5.121 -3.453 6.368 1.00 . A A . 3 VAL HB 1 1 15 6121 1 1 3 VAL HG11 H -6.701 -0.990 7.061 1.00 . A A . 3 VAL HG11 1 1 15 6122 1 1 3 VAL HG12 H -5.121 -1.443 7.701 1.00 . A A . 3 VAL HG12 1 1 15 6123 1 1 3 VAL HG13 H -6.540 -2.422 8.079 1.00 . A A . 3 VAL HG13 1 1 15 6124 1 1 3 VAL HG21 H -6.872 -3.985 4.778 1.00 . A A . 3 VAL HG21 1 1 15 6125 1 1 3 VAL HG22 H -7.751 -2.535 5.216 1.00 . A A . 3 VAL HG22 1 1 15 6126 1 1 3 VAL HG23 H -7.580 -3.849 6.394 1.00 . A A . 3 VAL HG23 1 1 15 6127 1 1 3 VAL N N -5.934 -0.701 4.553 1.00 . A A . 3 VAL N 1 1 15 6128 1 1 3 VAL O O -5.201 -2.413 2.631 1.00 . A A . 3 VAL O 1 1 15 6129 1 1 4 THR C C -4.966 -5.283 2.286 1.00 . A A . 4 THR C 1 1 15 6130 1 1 4 THR CA C -3.724 -4.740 3.005 1.00 . A A . 4 THR CA 1 1 15 6131 1 1 4 THR CB C -2.919 -5.899 3.630 1.00 . A A . 4 THR CB 1 1 15 6132 1 1 4 THR CG2 C -2.227 -6.713 2.545 1.00 . A A . 4 THR CG2 1 1 15 6133 1 1 4 THR H H -3.832 -4.006 4.943 1.00 . A A . 4 THR H 1 1 15 6134 1 1 4 THR HA H -3.096 -4.225 2.293 1.00 . A A . 4 THR HA 1 1 15 6135 1 1 4 THR HB H -3.587 -6.534 4.192 1.00 . A A . 4 THR HB 1 1 15 6136 1 1 4 THR HG1 H -1.067 -5.775 4.332 1.00 . A A . 4 THR HG1 1 1 15 6137 1 1 4 THR HG21 H -1.560 -6.069 1.992 1.00 . A A . 4 THR HG21 1 1 15 6138 1 1 4 THR HG22 H -2.972 -7.117 1.874 1.00 . A A . 4 THR HG22 1 1 15 6139 1 1 4 THR HG23 H -1.666 -7.519 2.994 1.00 . A A . 4 THR HG23 1 1 15 6140 1 1 4 THR N N -4.112 -3.808 4.025 1.00 . A A . 4 THR N 1 1 15 6141 1 1 4 THR O O -5.964 -5.636 2.931 1.00 . A A . 4 THR O 1 1 15 6142 1 1 4 THR OG1 O -1.914 -5.344 4.514 1.00 . A A . 4 THR OG1 1 1 15 6143 1 1 5 HIS C C -7.096 -4.730 -0.153 1.00 . A A . 5 HIS C 1 1 15 6144 1 1 5 HIS CA C -5.975 -5.734 0.071 1.00 . A A . 5 HIS CA 1 1 15 6145 1 1 5 HIS CB C -6.511 -7.137 0.426 1.00 . A A . 5 HIS CB 1 1 15 6146 1 1 5 HIS CD2 C -5.013 -8.702 -0.986 1.00 . A A . 5 HIS CD2 1 1 15 6147 1 1 5 HIS CE1 C -4.238 -9.972 0.581 1.00 . A A . 5 HIS CE1 1 1 15 6148 1 1 5 HIS CG C -5.535 -8.251 0.179 1.00 . A A . 5 HIS CG 1 1 15 6149 1 1 5 HIS H H -4.105 -4.863 0.554 1.00 . A A . 5 HIS H 1 1 15 6150 1 1 5 HIS HA H -5.484 -5.808 -0.889 1.00 . A A . 5 HIS HA 1 1 15 6151 1 1 5 HIS HB2 H -6.770 -7.156 1.475 1.00 . A A . 5 HIS HB2 1 1 15 6152 1 1 5 HIS HB3 H -7.397 -7.330 -0.159 1.00 . A A . 5 HIS HB3 1 1 15 6153 1 1 5 HIS HD1 H -5.221 -9.026 2.124 1.00 . A A . 5 HIS HD1 1 1 15 6154 1 1 5 HIS HD2 H -5.189 -8.280 -1.963 1.00 . A A . 5 HIS HD2 1 1 15 6155 1 1 5 HIS HE1 H -3.706 -10.749 1.109 1.00 . A A . 5 HIS HE1 1 1 15 6156 1 1 5 HIS N N -4.913 -5.253 0.961 1.00 . A A . 5 HIS N 1 1 15 6157 1 1 5 HIS ND1 N -5.028 -9.072 1.161 1.00 . A A . 5 HIS ND1 1 1 15 6158 1 1 5 HIS NE2 N -4.195 -9.793 -0.732 1.00 . A A . 5 HIS NE2 1 1 15 6159 1 1 5 HIS O O -7.965 -4.957 -0.998 1.00 . A A . 5 HIS O 1 1 15 6160 1 1 6 GLU C C -7.515 -1.749 -0.876 1.00 . A A . 6 GLU C 1 1 15 6161 1 1 6 GLU CA C -8.037 -2.547 0.300 1.00 . A A . 6 GLU CA 1 1 15 6162 1 1 6 GLU CB C -8.247 -1.621 1.500 1.00 . A A . 6 GLU CB 1 1 15 6163 1 1 6 GLU CD C -9.423 -1.148 3.643 1.00 . A A . 6 GLU CD 1 1 15 6164 1 1 6 GLU CG C -9.045 -2.203 2.632 1.00 . A A . 6 GLU CG 1 1 15 6165 1 1 6 GLU H H -6.432 -3.496 1.296 1.00 . A A . 6 GLU H 1 1 15 6166 1 1 6 GLU HA H -8.974 -3.005 0.018 1.00 . A A . 6 GLU HA 1 1 15 6167 1 1 6 GLU HB2 H -7.280 -1.394 1.923 1.00 . A A . 6 GLU HB2 1 1 15 6168 1 1 6 GLU HB3 H -8.724 -0.709 1.176 1.00 . A A . 6 GLU HB3 1 1 15 6169 1 1 6 GLU HG2 H -9.946 -2.643 2.234 1.00 . A A . 6 GLU HG2 1 1 15 6170 1 1 6 GLU HG3 H -8.456 -2.962 3.124 1.00 . A A . 6 GLU HG3 1 1 15 6171 1 1 6 GLU N N -7.090 -3.619 0.578 1.00 . A A . 6 GLU N 1 1 15 6172 1 1 6 GLU O O -6.334 -1.836 -1.184 1.00 . A A . 6 GLU O 1 1 15 6173 1 1 6 GLU OE1 O -8.614 -0.807 4.515 1.00 . A A . 6 GLU OE1 1 1 15 6174 1 1 6 GLU OE2 O -10.561 -0.634 3.591 1.00 . A A . 6 GLU OE2 1 1 15 6175 1 1 7 LYS C C -7.152 0.993 -2.165 1.00 . A A . 7 LYS C 1 1 15 6176 1 1 7 LYS CA C -7.945 -0.218 -2.662 1.00 . A A . 7 LYS CA 1 1 15 6177 1 1 7 LYS CB C -9.155 0.201 -3.504 1.00 . A A . 7 LYS CB 1 1 15 6178 1 1 7 LYS CD C -9.948 1.199 -5.663 1.00 . A A . 7 LYS CD 1 1 15 6179 1 1 7 LYS CE C -9.518 1.929 -6.932 1.00 . A A . 7 LYS CE 1 1 15 6180 1 1 7 LYS CG C -8.769 0.934 -4.760 1.00 . A A . 7 LYS CG 1 1 15 6181 1 1 7 LYS H H -9.309 -0.935 -1.282 1.00 . A A . 7 LYS H 1 1 15 6182 1 1 7 LYS HA H -7.292 -0.835 -3.261 1.00 . A A . 7 LYS HA 1 1 15 6183 1 1 7 LYS HB2 H -9.717 -0.679 -3.778 1.00 . A A . 7 LYS HB2 1 1 15 6184 1 1 7 LYS HB3 H -9.785 0.848 -2.912 1.00 . A A . 7 LYS HB3 1 1 15 6185 1 1 7 LYS HD2 H -10.412 0.261 -5.930 1.00 . A A . 7 LYS HD2 1 1 15 6186 1 1 7 LYS HD3 H -10.653 1.814 -5.126 1.00 . A A . 7 LYS HD3 1 1 15 6187 1 1 7 LYS HE2 H -10.378 2.038 -7.576 1.00 . A A . 7 LYS HE2 1 1 15 6188 1 1 7 LYS HE3 H -9.149 2.907 -6.668 1.00 . A A . 7 LYS HE3 1 1 15 6189 1 1 7 LYS HG2 H -8.321 1.868 -4.458 1.00 . A A . 7 LYS HG2 1 1 15 6190 1 1 7 LYS HG3 H -8.037 0.327 -5.270 1.00 . A A . 7 LYS HG3 1 1 15 6191 1 1 7 LYS HZ1 H -8.774 0.238 -7.929 1.00 . A A . 7 LYS HZ1 1 1 15 6192 1 1 7 LYS HZ2 H -7.594 1.120 -7.113 1.00 . A A . 7 LYS HZ2 1 1 15 6193 1 1 7 LYS HZ3 H -8.217 1.703 -8.549 1.00 . A A . 7 LYS HZ3 1 1 15 6194 1 1 7 LYS N N -8.368 -1.000 -1.539 1.00 . A A . 7 LYS N 1 1 15 6195 1 1 7 LYS NZ N -8.465 1.198 -7.675 1.00 . A A . 7 LYS NZ 1 1 15 6196 1 1 7 LYS O O -7.372 1.463 -1.042 1.00 . A A . 7 LYS O 1 1 15 6197 1 1 8 CYS C C -5.640 3.826 -3.382 1.00 . A A . 8 CYS C 1 1 15 6198 1 1 8 CYS CA C -5.401 2.577 -2.563 1.00 . A A . 8 CYS CA 1 1 15 6199 1 1 8 CYS CB C -3.956 2.136 -2.738 1.00 . A A . 8 CYS CB 1 1 15 6200 1 1 8 CYS H H -6.169 1.131 -3.882 1.00 . A A . 8 CYS H 1 1 15 6201 1 1 8 CYS HA H -5.563 2.782 -1.516 1.00 . A A . 8 CYS HA 1 1 15 6202 1 1 8 CYS HB2 H -3.305 2.975 -2.539 1.00 . A A . 8 CYS HB2 1 1 15 6203 1 1 8 CYS HB3 H -3.738 1.343 -2.038 1.00 . A A . 8 CYS HB3 1 1 15 6204 1 1 8 CYS N N -6.267 1.497 -2.974 1.00 . A A . 8 CYS N 1 1 15 6205 1 1 8 CYS O O -5.878 3.750 -4.590 1.00 . A A . 8 CYS O 1 1 15 6206 1 1 8 CYS SG S -3.572 1.518 -4.415 1.00 . A A . 8 CYS SG 1 1 15 6207 1 1 9 SER C C -4.301 6.587 -3.906 1.00 . A A . 9 SER C 1 1 15 6208 1 1 9 SER CA C -5.715 6.227 -3.424 1.00 . A A . 9 SER CA 1 1 15 6209 1 1 9 SER CB C -6.260 7.291 -2.479 1.00 . A A . 9 SER CB 1 1 15 6210 1 1 9 SER H H -5.607 4.967 -1.744 1.00 . A A . 9 SER H 1 1 15 6211 1 1 9 SER HA H -6.367 6.114 -4.276 1.00 . A A . 9 SER HA 1 1 15 6212 1 1 9 SER HB2 H -5.513 7.523 -1.734 1.00 . A A . 9 SER HB2 1 1 15 6213 1 1 9 SER HB3 H -6.505 8.183 -3.033 1.00 . A A . 9 SER HB3 1 1 15 6214 1 1 9 SER HG H -7.132 6.292 -1.063 1.00 . A A . 9 SER HG 1 1 15 6215 1 1 9 SER N N -5.633 4.966 -2.728 1.00 . A A . 9 SER N 1 1 15 6216 1 1 9 SER O O -4.077 6.907 -5.077 1.00 . A A . 9 SER O 1 1 15 6217 1 1 9 SER OG O -7.436 6.815 -1.822 1.00 . A A . 9 SER OG 1 1 15 6218 1 1 10 ASP C C -1.181 5.789 -2.350 1.00 . A A . 10 ASP C 1 1 15 6219 1 1 10 ASP CA C -1.953 6.688 -3.295 1.00 . A A . 10 ASP CA 1 1 15 6220 1 1 10 ASP CB C -1.537 8.164 -3.106 1.00 . A A . 10 ASP CB 1 1 15 6221 1 1 10 ASP CG C -1.257 8.551 -1.676 1.00 . A A . 10 ASP CG 1 1 15 6222 1 1 10 ASP H H -3.560 6.222 -2.080 1.00 . A A . 10 ASP H 1 1 15 6223 1 1 10 ASP HA H -1.775 6.369 -4.311 1.00 . A A . 10 ASP HA 1 1 15 6224 1 1 10 ASP HB2 H -0.643 8.351 -3.679 1.00 . A A . 10 ASP HB2 1 1 15 6225 1 1 10 ASP HB3 H -2.329 8.795 -3.484 1.00 . A A . 10 ASP HB3 1 1 15 6226 1 1 10 ASP N N -3.349 6.476 -3.002 1.00 . A A . 10 ASP N 1 1 15 6227 1 1 10 ASP O O -1.803 5.074 -1.561 1.00 . A A . 10 ASP O 1 1 15 6228 1 1 10 ASP OD1 O -0.064 8.661 -1.317 1.00 . A A . 10 ASP OD1 1 1 15 6229 1 1 10 ASP OD2 O -2.200 8.736 -0.900 1.00 . A A . 10 ASP OD2 1 1 15 6230 1 1 11 ASP C C 0.796 5.271 -0.080 1.00 . A A . 11 ASP C 1 1 15 6231 1 1 11 ASP CA C 0.965 4.936 -1.566 1.00 . A A . 11 ASP CA 1 1 15 6232 1 1 11 ASP CB C 2.454 5.020 -1.956 1.00 . A A . 11 ASP CB 1 1 15 6233 1 1 11 ASP CG C 2.744 4.620 -3.397 1.00 . A A . 11 ASP CG 1 1 15 6234 1 1 11 ASP H H 0.564 6.441 -3.028 1.00 . A A . 11 ASP H 1 1 15 6235 1 1 11 ASP HA H 0.620 3.924 -1.724 1.00 . A A . 11 ASP HA 1 1 15 6236 1 1 11 ASP HB2 H 2.792 6.037 -1.819 1.00 . A A . 11 ASP HB2 1 1 15 6237 1 1 11 ASP HB3 H 3.021 4.375 -1.301 1.00 . A A . 11 ASP HB3 1 1 15 6238 1 1 11 ASP N N 0.134 5.812 -2.410 1.00 . A A . 11 ASP N 1 1 15 6239 1 1 11 ASP O O 0.683 4.386 0.769 1.00 . A A . 11 ASP O 1 1 15 6240 1 1 11 ASP OD1 O 2.568 3.449 -3.763 1.00 . A A . 11 ASP OD1 1 1 15 6241 1 1 11 ASP OD2 O 3.163 5.482 -4.193 1.00 . A A . 11 ASP OD2 1 1 15 6242 1 1 12 TYR C C -0.839 6.970 2.114 1.00 . A A . 12 TYR C 1 1 15 6243 1 1 12 TYR CA C 0.585 7.025 1.593 1.00 . A A . 12 TYR CA 1 1 15 6244 1 1 12 TYR CB C 1.167 8.431 1.738 1.00 . A A . 12 TYR CB 1 1 15 6245 1 1 12 TYR CD1 C 3.346 8.606 0.467 1.00 . A A . 12 TYR CD1 1 1 15 6246 1 1 12 TYR CD2 C 3.425 8.402 2.833 1.00 . A A . 12 TYR CD2 1 1 15 6247 1 1 12 TYR CE1 C 4.727 8.649 0.422 1.00 . A A . 12 TYR CE1 1 1 15 6248 1 1 12 TYR CE2 C 4.797 8.447 2.800 1.00 . A A . 12 TYR CE2 1 1 15 6249 1 1 12 TYR CG C 2.675 8.481 1.673 1.00 . A A . 12 TYR CG 1 1 15 6250 1 1 12 TYR CZ C 5.446 8.570 1.594 1.00 . A A . 12 TYR CZ 1 1 15 6251 1 1 12 TYR H H 0.640 7.227 -0.496 1.00 . A A . 12 TYR H 1 1 15 6252 1 1 12 TYR HA H 1.169 6.356 2.204 1.00 . A A . 12 TYR HA 1 1 15 6253 1 1 12 TYR HB2 H 0.784 9.051 0.941 1.00 . A A . 12 TYR HB2 1 1 15 6254 1 1 12 TYR HB3 H 0.857 8.846 2.685 1.00 . A A . 12 TYR HB3 1 1 15 6255 1 1 12 TYR HD1 H 2.773 8.668 -0.445 1.00 . A A . 12 TYR HD1 1 1 15 6256 1 1 12 TYR HD2 H 2.916 8.305 3.781 1.00 . A A . 12 TYR HD2 1 1 15 6257 1 1 12 TYR HE1 H 5.233 8.747 -0.527 1.00 . A A . 12 TYR HE1 1 1 15 6258 1 1 12 TYR HE2 H 5.359 8.384 3.719 1.00 . A A . 12 TYR HE2 1 1 15 6259 1 1 12 TYR HH H 7.083 9.310 0.957 1.00 . A A . 12 TYR HH 1 1 15 6260 1 1 12 TYR N N 0.692 6.549 0.220 1.00 . A A . 12 TYR N 1 1 15 6261 1 1 12 TYR O O -1.118 7.388 3.234 1.00 . A A . 12 TYR O 1 1 15 6262 1 1 12 TYR OH O 6.821 8.609 1.566 1.00 . A A . 12 TYR OH 1 1 15 6263 1 1 13 ASP C C -3.248 4.892 2.383 1.00 . A A . 13 ASP C 1 1 15 6264 1 1 13 ASP CA C -3.118 6.258 1.719 1.00 . A A . 13 ASP CA 1 1 15 6265 1 1 13 ASP CB C -4.041 6.366 0.492 1.00 . A A . 13 ASP CB 1 1 15 6266 1 1 13 ASP CG C -5.519 6.250 0.807 1.00 . A A . 13 ASP CG 1 1 15 6267 1 1 13 ASP H H -1.453 6.188 0.407 1.00 . A A . 13 ASP H 1 1 15 6268 1 1 13 ASP HA H -3.369 7.027 2.434 1.00 . A A . 13 ASP HA 1 1 15 6269 1 1 13 ASP HB2 H -3.877 7.320 0.016 1.00 . A A . 13 ASP HB2 1 1 15 6270 1 1 13 ASP HB3 H -3.778 5.583 -0.205 1.00 . A A . 13 ASP HB3 1 1 15 6271 1 1 13 ASP N N -1.729 6.445 1.313 1.00 . A A . 13 ASP N 1 1 15 6272 1 1 13 ASP O O -4.220 4.596 3.086 1.00 . A A . 13 ASP O 1 1 15 6273 1 1 13 ASP OD1 O -6.039 7.063 1.597 1.00 . A A . 13 ASP OD1 1 1 15 6274 1 1 13 ASP OD2 O -6.212 5.398 0.196 1.00 . A A . 13 ASP OD2 1 1 15 6275 1 1 14 CYS C C -1.422 2.736 4.039 1.00 . A A . 14 CYS C 1 1 15 6276 1 1 14 CYS CA C -2.187 2.750 2.722 1.00 . A A . 14 CYS CA 1 1 15 6277 1 1 14 CYS CB C -1.515 1.838 1.719 1.00 . A A . 14 CYS CB 1 1 15 6278 1 1 14 CYS H H -1.470 4.398 1.657 1.00 . A A . 14 CYS H 1 1 15 6279 1 1 14 CYS HA H -3.197 2.405 2.885 1.00 . A A . 14 CYS HA 1 1 15 6280 1 1 14 CYS HB2 H -0.484 2.134 1.598 1.00 . A A . 14 CYS HB2 1 1 15 6281 1 1 14 CYS HB3 H -1.560 0.825 2.091 1.00 . A A . 14 CYS HB3 1 1 15 6282 1 1 14 CYS N N -2.235 4.084 2.186 1.00 . A A . 14 CYS N 1 1 15 6283 1 1 14 CYS O O -0.476 3.514 4.223 1.00 . A A . 14 CYS O 1 1 15 6284 1 1 14 CYS SG S -2.303 1.862 0.084 1.00 . A A . 14 CYS SG 1 1 15 6285 1 1 15 CYS C C 0.200 1.151 6.169 1.00 . A A . 15 CYS C 1 1 15 6286 1 1 15 CYS CA C -1.215 1.755 6.265 1.00 . A A . 15 CYS CA 1 1 15 6287 1 1 15 CYS CB C -2.080 0.853 7.155 1.00 . A A . 15 CYS CB 1 1 15 6288 1 1 15 CYS H H -2.595 1.287 4.732 1.00 . A A . 15 CYS H 1 1 15 6289 1 1 15 CYS HA H -1.167 2.736 6.710 1.00 . A A . 15 CYS HA 1 1 15 6290 1 1 15 CYS HB2 H -2.065 -0.147 6.749 1.00 . A A . 15 CYS HB2 1 1 15 6291 1 1 15 CYS HB3 H -1.664 0.837 8.151 1.00 . A A . 15 CYS HB3 1 1 15 6292 1 1 15 CYS N N -1.833 1.874 4.945 1.00 . A A . 15 CYS N 1 1 15 6293 1 1 15 CYS O O 0.521 0.469 5.199 1.00 . A A . 15 CYS O 1 1 15 6294 1 1 15 CYS SG S -3.840 1.342 7.289 1.00 . A A . 15 CYS SG 1 1 15 6295 1 1 16 GLY C C 3.252 1.025 6.046 1.00 . A A . 16 GLY C 1 1 15 6296 1 1 16 GLY CA C 2.366 0.857 7.270 1.00 . A A . 16 GLY CA 1 1 15 6297 1 1 16 GLY H H 0.749 2.110 7.823 1.00 . A A . 16 GLY H 1 1 15 6298 1 1 16 GLY HA2 H 2.868 1.309 8.113 1.00 . A A . 16 GLY HA2 1 1 15 6299 1 1 16 GLY HA3 H 2.248 -0.197 7.472 1.00 . A A . 16 GLY HA3 1 1 15 6300 1 1 16 GLY N N 1.036 1.454 7.151 1.00 . A A . 16 GLY N 1 1 15 6301 1 1 16 GLY O O 3.357 2.114 5.488 1.00 . A A . 16 GLY O 1 1 15 6302 1 1 17 SER C C 4.055 -0.397 3.189 1.00 . A A . 17 SER C 1 1 15 6303 1 1 17 SER CA C 4.764 -0.064 4.495 1.00 . A A . 17 SER CA 1 1 15 6304 1 1 17 SER CB C 5.856 -1.080 4.778 1.00 . A A . 17 SER CB 1 1 15 6305 1 1 17 SER H H 3.705 -0.923 6.061 1.00 . A A . 17 SER H 1 1 15 6306 1 1 17 SER HA H 5.220 0.911 4.419 1.00 . A A . 17 SER HA 1 1 15 6307 1 1 17 SER HB2 H 6.425 -1.256 3.878 1.00 . A A . 17 SER HB2 1 1 15 6308 1 1 17 SER HB3 H 6.509 -0.710 5.553 1.00 . A A . 17 SER HB3 1 1 15 6309 1 1 17 SER HG H 6.025 -2.838 5.538 1.00 . A A . 17 SER HG 1 1 15 6310 1 1 17 SER N N 3.849 -0.061 5.617 1.00 . A A . 17 SER N 1 1 15 6311 1 1 17 SER O O 4.698 -0.593 2.151 1.00 . A A . 17 SER O 1 1 15 6312 1 1 17 SER OG O 5.286 -2.309 5.210 1.00 . A A . 17 SER OG 1 1 15 6313 1 1 18 LEU C C 2.030 0.359 1.083 1.00 . A A . 18 LEU C 1 1 15 6314 1 1 18 LEU CA C 1.969 -0.784 2.073 1.00 . A A . 18 LEU CA 1 1 15 6315 1 1 18 LEU CB C 0.517 -1.044 2.443 1.00 . A A . 18 LEU CB 1 1 15 6316 1 1 18 LEU CD1 C -1.235 -2.151 3.790 1.00 . A A . 18 LEU CD1 1 1 15 6317 1 1 18 LEU CD2 C 0.801 -3.435 3.203 1.00 . A A . 18 LEU CD2 1 1 15 6318 1 1 18 LEU CG C 0.244 -2.067 3.546 1.00 . A A . 18 LEU CG 1 1 15 6319 1 1 18 LEU H H 2.277 -0.243 4.074 1.00 . A A . 18 LEU H 1 1 15 6320 1 1 18 LEU HA H 2.384 -1.673 1.623 1.00 . A A . 18 LEU HA 1 1 15 6321 1 1 18 LEU HB2 H 0.101 -0.103 2.768 1.00 . A A . 18 LEU HB2 1 1 15 6322 1 1 18 LEU HB3 H -0.006 -1.359 1.551 1.00 . A A . 18 LEU HB3 1 1 15 6323 1 1 18 LEU HD11 H -1.724 -2.437 2.870 1.00 . A A . 18 LEU HD11 1 1 15 6324 1 1 18 LEU HD12 H -1.606 -1.189 4.114 1.00 . A A . 18 LEU HD12 1 1 15 6325 1 1 18 LEU HD13 H -1.438 -2.894 4.547 1.00 . A A . 18 LEU HD13 1 1 15 6326 1 1 18 LEU HD21 H 0.581 -4.124 4.004 1.00 . A A . 18 LEU HD21 1 1 15 6327 1 1 18 LEU HD22 H 1.871 -3.363 3.075 1.00 . A A . 18 LEU HD22 1 1 15 6328 1 1 18 LEU HD23 H 0.351 -3.789 2.289 1.00 . A A . 18 LEU HD23 1 1 15 6329 1 1 18 LEU HG H 0.705 -1.722 4.460 1.00 . A A . 18 LEU HG 1 1 15 6330 1 1 18 LEU N N 2.741 -0.452 3.237 1.00 . A A . 18 LEU N 1 1 15 6331 1 1 18 LEU O O 2.009 1.541 1.474 1.00 . A A . 18 LEU O 1 1 15 6332 1 1 19 CYS C C 0.972 0.723 -2.139 1.00 . A A . 19 CYS C 1 1 15 6333 1 1 19 CYS CA C 2.147 0.971 -1.214 1.00 . A A . 19 CYS CA 1 1 15 6334 1 1 19 CYS CB C 3.482 0.854 -1.955 1.00 . A A . 19 CYS CB 1 1 15 6335 1 1 19 CYS H H 2.080 -0.931 -0.413 1.00 . A A . 19 CYS H 1 1 15 6336 1 1 19 CYS HA H 2.058 1.958 -0.783 1.00 . A A . 19 CYS HA 1 1 15 6337 1 1 19 CYS HB2 H 3.565 -0.134 -2.380 1.00 . A A . 19 CYS HB2 1 1 15 6338 1 1 19 CYS HB3 H 3.510 1.587 -2.747 1.00 . A A . 19 CYS HB3 1 1 15 6339 1 1 19 CYS N N 2.088 0.019 -0.158 1.00 . A A . 19 CYS N 1 1 15 6340 1 1 19 CYS O O 0.233 -0.267 -1.963 1.00 . A A . 19 CYS O 1 1 15 6341 1 1 19 CYS SG S 4.948 1.127 -0.892 1.00 . A A . 19 CYS SG 1 1 15 6342 1 1 20 CYS C C -0.035 0.784 -5.250 1.00 . A A . 20 CYS C 1 1 15 6343 1 1 20 CYS CA C -0.361 1.495 -3.949 1.00 . A A . 20 CYS CA 1 1 15 6344 1 1 20 CYS CB C -0.897 2.897 -4.223 1.00 . A A . 20 CYS CB 1 1 15 6345 1 1 20 CYS H H 1.452 2.283 -3.277 1.00 . A A . 20 CYS H 1 1 15 6346 1 1 20 CYS HA H -1.127 0.941 -3.428 1.00 . A A . 20 CYS HA 1 1 15 6347 1 1 20 CYS HB2 H -1.124 3.375 -3.281 1.00 . A A . 20 CYS HB2 1 1 15 6348 1 1 20 CYS HB3 H -0.136 3.472 -4.728 1.00 . A A . 20 CYS HB3 1 1 15 6349 1 1 20 CYS N N 0.784 1.576 -3.098 1.00 . A A . 20 CYS N 1 1 15 6350 1 1 20 CYS O O 0.808 1.238 -6.035 1.00 . A A . 20 CYS O 1 1 15 6351 1 1 20 CYS SG S -2.408 2.955 -5.236 1.00 . A A . 20 CYS SG 1 1 15 6352 1 1 21 VAL C C -1.999 -1.546 -7.078 1.00 . A A . 21 VAL C 1 1 15 6353 1 1 21 VAL CA C -0.591 -1.126 -6.670 1.00 . A A . 21 VAL CA 1 1 15 6354 1 1 21 VAL CB C 0.320 -2.389 -6.460 1.00 . A A . 21 VAL CB 1 1 15 6355 1 1 21 VAL CG1 C 1.774 -1.982 -6.280 1.00 . A A . 21 VAL CG1 1 1 15 6356 1 1 21 VAL CG2 C -0.132 -3.224 -5.259 1.00 . A A . 21 VAL CG2 1 1 15 6357 1 1 21 VAL H H -1.304 -0.655 -4.753 1.00 . A A . 21 VAL H 1 1 15 6358 1 1 21 VAL HA H -0.175 -0.497 -7.444 1.00 . A A . 21 VAL HA 1 1 15 6359 1 1 21 VAL HB H 0.247 -2.996 -7.349 1.00 . A A . 21 VAL HB 1 1 15 6360 1 1 21 VAL HG11 H 2.114 -1.460 -7.161 1.00 . A A . 21 VAL HG11 1 1 15 6361 1 1 21 VAL HG12 H 2.380 -2.862 -6.125 1.00 . A A . 21 VAL HG12 1 1 15 6362 1 1 21 VAL HG13 H 1.860 -1.332 -5.422 1.00 . A A . 21 VAL HG13 1 1 15 6363 1 1 21 VAL HG21 H -0.088 -2.619 -4.365 1.00 . A A . 21 VAL HG21 1 1 15 6364 1 1 21 VAL HG22 H 0.520 -4.078 -5.148 1.00 . A A . 21 VAL HG22 1 1 15 6365 1 1 21 VAL HG23 H -1.145 -3.561 -5.417 1.00 . A A . 21 VAL HG23 1 1 15 6366 1 1 21 VAL N N -0.700 -0.329 -5.459 1.00 . A A . 21 VAL N 1 1 15 6367 1 1 21 VAL O O -2.254 -2.673 -7.496 1.00 . A A . 21 VAL O 1 1 15 6368 1 1 22 GLY C C -4.948 -1.157 -5.848 1.00 . A A . 22 GLY C 1 1 15 6369 1 1 22 GLY CA C -4.316 -0.887 -7.176 1.00 . A A . 22 GLY CA 1 1 15 6370 1 1 22 GLY H H -2.646 0.282 -6.661 1.00 . A A . 22 GLY H 1 1 15 6371 1 1 22 GLY HA2 H -4.781 -0.033 -7.647 1.00 . A A . 22 GLY HA2 1 1 15 6372 1 1 22 GLY HA3 H -4.423 -1.760 -7.801 1.00 . A A . 22 GLY HA3 1 1 15 6373 1 1 22 GLY N N -2.915 -0.617 -6.944 1.00 . A A . 22 GLY N 1 1 15 6374 1 1 22 GLY O O -5.955 -0.547 -5.463 1.00 . A A . 22 GLY O 1 1 15 6375 1 1 23 ILE C C -3.471 -1.956 -2.906 1.00 . A A . 23 ILE C 1 1 15 6376 1 1 23 ILE CA C -4.650 -2.341 -3.781 1.00 . A A . 23 ILE CA 1 1 15 6377 1 1 23 ILE CB C -4.949 -3.851 -3.572 1.00 . A A . 23 ILE CB 1 1 15 6378 1 1 23 ILE CD1 C -3.869 -6.174 -3.661 1.00 . A A . 23 ILE CD1 1 1 15 6379 1 1 23 ILE CG1 C -3.728 -4.706 -3.973 1.00 . A A . 23 ILE CG1 1 1 15 6380 1 1 23 ILE CG2 C -6.198 -4.266 -4.348 1.00 . A A . 23 ILE CG2 1 1 15 6381 1 1 23 ILE H H -3.548 -2.491 -5.551 1.00 . A A . 23 ILE H 1 1 15 6382 1 1 23 ILE HA H -5.514 -1.760 -3.498 1.00 . A A . 23 ILE HA 1 1 15 6383 1 1 23 ILE HB H -5.150 -4.003 -2.522 1.00 . A A . 23 ILE HB 1 1 15 6384 1 1 23 ILE HD11 H -4.009 -6.307 -2.599 1.00 . A A . 23 ILE HD11 1 1 15 6385 1 1 23 ILE HD12 H -2.976 -6.696 -3.974 1.00 . A A . 23 ILE HD12 1 1 15 6386 1 1 23 ILE HD13 H -4.723 -6.569 -4.189 1.00 . A A . 23 ILE HD13 1 1 15 6387 1 1 23 ILE HG12 H -3.569 -4.614 -5.037 1.00 . A A . 23 ILE HG12 1 1 15 6388 1 1 23 ILE HG13 H -2.855 -4.334 -3.456 1.00 . A A . 23 ILE HG13 1 1 15 6389 1 1 23 ILE HG21 H -6.386 -5.317 -4.192 1.00 . A A . 23 ILE HG21 1 1 15 6390 1 1 23 ILE HG22 H -6.046 -4.079 -5.401 1.00 . A A . 23 ILE HG22 1 1 15 6391 1 1 23 ILE HG23 H -7.045 -3.693 -4.001 1.00 . A A . 23 ILE HG23 1 1 15 6392 1 1 23 ILE N N -4.309 -2.034 -5.132 1.00 . A A . 23 ILE N 1 1 15 6393 1 1 23 ILE O O -2.361 -1.725 -3.416 1.00 . A A . 23 ILE O 1 1 15 6394 1 1 24 CYS C C -1.951 -2.888 -0.381 1.00 . A A . 24 CYS C 1 1 15 6395 1 1 24 CYS CA C -2.656 -1.596 -0.695 1.00 . A A . 24 CYS CA 1 1 15 6396 1 1 24 CYS CB C -3.207 -0.973 0.575 1.00 . A A . 24 CYS CB 1 1 15 6397 1 1 24 CYS H H -4.634 -1.908 -1.321 1.00 . A A . 24 CYS H 1 1 15 6398 1 1 24 CYS HA H -1.952 -0.913 -1.148 1.00 . A A . 24 CYS HA 1 1 15 6399 1 1 24 CYS HB2 H -3.966 -1.625 0.981 1.00 . A A . 24 CYS HB2 1 1 15 6400 1 1 24 CYS HB3 H -2.407 -0.880 1.293 1.00 . A A . 24 CYS HB3 1 1 15 6401 1 1 24 CYS N N -3.704 -1.844 -1.639 1.00 . A A . 24 CYS N 1 1 15 6402 1 1 24 CYS O O -2.557 -3.832 0.161 1.00 . A A . 24 CYS O 1 1 15 6403 1 1 24 CYS SG S -3.930 0.671 0.319 1.00 . A A . 24 CYS SG 1 1 15 6404 1 1 25 ALA C C 1.534 -3.667 -0.400 1.00 . A A . 25 ALA C 1 1 15 6405 1 1 25 ALA CA C 0.106 -4.112 -0.538 1.00 . A A . 25 ALA CA 1 1 15 6406 1 1 25 ALA CB C -0.033 -5.095 -1.695 1.00 . A A . 25 ALA CB 1 1 15 6407 1 1 25 ALA H H -0.301 -2.179 -1.206 1.00 . A A . 25 ALA H 1 1 15 6408 1 1 25 ALA HA H -0.217 -4.594 0.373 1.00 . A A . 25 ALA HA 1 1 15 6409 1 1 25 ALA HB1 H 0.277 -4.617 -2.611 1.00 . A A . 25 ALA HB1 1 1 15 6410 1 1 25 ALA HB2 H -1.064 -5.408 -1.781 1.00 . A A . 25 ALA HB2 1 1 15 6411 1 1 25 ALA HB3 H 0.590 -5.958 -1.511 1.00 . A A . 25 ALA HB3 1 1 15 6412 1 1 25 ALA N N -0.710 -2.956 -0.760 1.00 . A A . 25 ALA N 1 1 15 6413 1 1 25 ALA O O 1.917 -2.632 -0.959 1.00 . A A . 25 ALA O 1 1 15 6414 1 1 26 LYS C C 4.447 -4.470 -0.682 1.00 . A A . 26 LYS C 1 1 15 6415 1 1 26 LYS CA C 3.681 -4.083 0.557 1.00 . A A . 26 LYS CA 1 1 15 6416 1 1 26 LYS CB C 4.262 -4.810 1.764 1.00 . A A . 26 LYS CB 1 1 15 6417 1 1 26 LYS CD C 6.345 -5.266 3.077 1.00 . A A . 26 LYS CD 1 1 15 6418 1 1 26 LYS CE C 7.814 -4.928 3.172 1.00 . A A . 26 LYS CE 1 1 15 6419 1 1 26 LYS CG C 5.713 -4.461 1.984 1.00 . A A . 26 LYS CG 1 1 15 6420 1 1 26 LYS H H 1.916 -5.167 0.834 1.00 . A A . 26 LYS H 1 1 15 6421 1 1 26 LYS HA H 3.795 -3.019 0.706 1.00 . A A . 26 LYS HA 1 1 15 6422 1 1 26 LYS HB2 H 3.701 -4.544 2.647 1.00 . A A . 26 LYS HB2 1 1 15 6423 1 1 26 LYS HB3 H 4.191 -5.876 1.602 1.00 . A A . 26 LYS HB3 1 1 15 6424 1 1 26 LYS HD2 H 5.858 -5.039 4.015 1.00 . A A . 26 LYS HD2 1 1 15 6425 1 1 26 LYS HD3 H 6.239 -6.316 2.852 1.00 . A A . 26 LYS HD3 1 1 15 6426 1 1 26 LYS HE2 H 7.886 -3.866 3.357 1.00 . A A . 26 LYS HE2 1 1 15 6427 1 1 26 LYS HE3 H 8.252 -5.480 3.990 1.00 . A A . 26 LYS HE3 1 1 15 6428 1 1 26 LYS HG2 H 6.254 -4.644 1.067 1.00 . A A . 26 LYS HG2 1 1 15 6429 1 1 26 LYS HG3 H 5.781 -3.412 2.230 1.00 . A A . 26 LYS HG3 1 1 15 6430 1 1 26 LYS HZ1 H 8.172 -4.693 1.101 1.00 . A A . 26 LYS HZ1 1 1 15 6431 1 1 26 LYS HZ2 H 8.459 -6.247 1.668 1.00 . A A . 26 LYS HZ2 1 1 15 6432 1 1 26 LYS HZ3 H 9.549 -5.025 2.006 1.00 . A A . 26 LYS HZ3 1 1 15 6433 1 1 26 LYS N N 2.296 -4.389 0.371 1.00 . A A . 26 LYS N 1 1 15 6434 1 1 26 LYS NZ N 8.535 -5.238 1.911 1.00 . A A . 26 LYS NZ 1 1 15 6435 1 1 26 LYS O O 4.284 -5.577 -1.222 1.00 . A A . 26 LYS O 1 1 15 6436 1 1 27 THR C C 7.443 -4.194 -1.867 1.00 . A A . 27 THR C 1 1 15 6437 1 1 27 THR CA C 6.027 -3.796 -2.284 1.00 . A A . 27 THR CA 1 1 15 6438 1 1 27 THR CB C 6.028 -2.509 -3.098 1.00 . A A . 27 THR CB 1 1 15 6439 1 1 27 THR CG2 C 4.661 -2.290 -3.721 1.00 . A A . 27 THR CG2 1 1 15 6440 1 1 27 THR H H 5.321 -2.696 -0.726 1.00 . A A . 27 THR H 1 1 15 6441 1 1 27 THR HA H 5.583 -4.578 -2.880 1.00 . A A . 27 THR HA 1 1 15 6442 1 1 27 THR HB H 6.774 -2.564 -3.875 1.00 . A A . 27 THR HB 1 1 15 6443 1 1 27 THR HG1 H 7.145 -1.005 -2.477 1.00 . A A . 27 THR HG1 1 1 15 6444 1 1 27 THR HG21 H 4.439 -3.095 -4.404 1.00 . A A . 27 THR HG21 1 1 15 6445 1 1 27 THR HG22 H 4.644 -1.344 -4.241 1.00 . A A . 27 THR HG22 1 1 15 6446 1 1 27 THR HG23 H 3.918 -2.275 -2.937 1.00 . A A . 27 THR HG23 1 1 15 6447 1 1 27 THR N N 5.235 -3.581 -1.143 1.00 . A A . 27 THR N 1 1 15 6448 1 1 27 THR O O 7.814 -4.087 -0.672 1.00 . A A . 27 THR O 1 1 15 6449 1 1 27 THR OG1 O 6.312 -1.421 -2.213 1.00 . A A . 27 THR OG1 1 1 15 6450 1 1 28 ILE C C 10.402 -3.789 -2.387 1.00 . A A . 28 ILE C 1 1 15 6451 1 1 28 ILE CA C 9.582 -5.064 -2.557 1.00 . A A . 28 ILE CA 1 1 15 6452 1 1 28 ILE CB C 10.155 -5.928 -3.714 1.00 . A A . 28 ILE CB 1 1 15 6453 1 1 28 ILE CD1 C 9.697 -8.059 -5.068 1.00 . A A . 28 ILE CD1 1 1 15 6454 1 1 28 ILE CG1 C 9.279 -7.179 -3.911 1.00 . A A . 28 ILE CG1 1 1 15 6455 1 1 28 ILE CG2 C 11.604 -6.327 -3.424 1.00 . A A . 28 ILE CG2 1 1 15 6456 1 1 28 ILE H H 7.826 -4.835 -3.705 1.00 . A A . 28 ILE H 1 1 15 6457 1 1 28 ILE HA H 9.615 -5.629 -1.636 1.00 . A A . 28 ILE HA 1 1 15 6458 1 1 28 ILE HB H 10.135 -5.343 -4.621 1.00 . A A . 28 ILE HB 1 1 15 6459 1 1 28 ILE HD11 H 10.709 -8.404 -4.910 1.00 . A A . 28 ILE HD11 1 1 15 6460 1 1 28 ILE HD12 H 9.651 -7.488 -5.983 1.00 . A A . 28 ILE HD12 1 1 15 6461 1 1 28 ILE HD13 H 9.032 -8.906 -5.136 1.00 . A A . 28 ILE HD13 1 1 15 6462 1 1 28 ILE HG12 H 9.320 -7.782 -3.017 1.00 . A A . 28 ILE HG12 1 1 15 6463 1 1 28 ILE HG13 H 8.258 -6.871 -4.078 1.00 . A A . 28 ILE HG13 1 1 15 6464 1 1 28 ILE HG21 H 11.645 -6.899 -2.509 1.00 . A A . 28 ILE HG21 1 1 15 6465 1 1 28 ILE HG22 H 12.207 -5.436 -3.316 1.00 . A A . 28 ILE HG22 1 1 15 6466 1 1 28 ILE HG23 H 11.985 -6.922 -4.241 1.00 . A A . 28 ILE HG23 1 1 15 6467 1 1 28 ILE N N 8.207 -4.698 -2.810 1.00 . A A . 28 ILE N 1 1 15 6468 1 1 28 ILE O O 11.207 -3.655 -1.451 1.00 . A A . 28 ILE O 1 1 15 6469 1 1 29 ALA C C 9.935 -0.628 -2.403 1.00 . A A . 29 ALA C 1 1 15 6470 1 1 29 ALA CA C 10.815 -1.571 -3.194 1.00 . A A . 29 ALA CA 1 1 15 6471 1 1 29 ALA CB C 11.072 -1.026 -4.579 1.00 . A A . 29 ALA CB 1 1 15 6472 1 1 29 ALA H H 9.518 -2.999 -3.984 1.00 . A A . 29 ALA H 1 1 15 6473 1 1 29 ALA HA H 11.755 -1.699 -2.681 1.00 . A A . 29 ALA HA 1 1 15 6474 1 1 29 ALA HB1 H 11.691 -1.722 -5.124 1.00 . A A . 29 ALA HB1 1 1 15 6475 1 1 29 ALA HB2 H 11.591 -0.083 -4.487 1.00 . A A . 29 ALA HB2 1 1 15 6476 1 1 29 ALA HB3 H 10.138 -0.881 -5.098 1.00 . A A . 29 ALA HB3 1 1 15 6477 1 1 29 ALA N N 10.168 -2.848 -3.265 1.00 . A A . 29 ALA N 1 1 15 6478 1 1 29 ALA O O 8.752 -0.478 -2.716 1.00 . A A . 29 ALA O 1 1 15 6479 1 1 30 PRO C C 9.330 2.183 -1.179 1.00 . A A . 30 PRO C 1 1 15 6480 1 1 30 PRO CA C 9.708 0.871 -0.498 1.00 . A A . 30 PRO CA 1 1 15 6481 1 1 30 PRO CB C 10.645 1.128 0.685 1.00 . A A . 30 PRO CB 1 1 15 6482 1 1 30 PRO CD C 11.890 -0.090 -0.951 1.00 . A A . 30 PRO CD 1 1 15 6483 1 1 30 PRO CG C 12.012 0.948 0.127 1.00 . A A . 30 PRO CG 1 1 15 6484 1 1 30 PRO HA H 8.813 0.377 -0.152 1.00 . A A . 30 PRO HA 1 1 15 6485 1 1 30 PRO HB2 H 10.491 2.133 1.053 1.00 . A A . 30 PRO HB2 1 1 15 6486 1 1 30 PRO HB3 H 10.445 0.417 1.472 1.00 . A A . 30 PRO HB3 1 1 15 6487 1 1 30 PRO HD2 H 12.543 0.146 -1.777 1.00 . A A . 30 PRO HD2 1 1 15 6488 1 1 30 PRO HD3 H 12.114 -1.074 -0.568 1.00 . A A . 30 PRO HD3 1 1 15 6489 1 1 30 PRO HG2 H 12.360 1.882 -0.290 1.00 . A A . 30 PRO HG2 1 1 15 6490 1 1 30 PRO HG3 H 12.686 0.612 0.901 1.00 . A A . 30 PRO HG3 1 1 15 6491 1 1 30 PRO N N 10.476 -0.003 -1.364 1.00 . A A . 30 PRO N 1 1 15 6492 1 1 30 PRO O O 10.159 2.818 -1.856 1.00 . A A . 30 PRO O 1 1 15 6493 1 1 31 CYS C C 7.737 4.891 -0.481 1.00 . A A . 31 CYS C 1 1 15 6494 1 1 31 CYS CA C 7.620 3.822 -1.560 1.00 . A A . 31 CYS CA 1 1 15 6495 1 1 31 CYS CB C 6.165 3.679 -2.011 1.00 . A A . 31 CYS CB 1 1 15 6496 1 1 31 CYS H H 7.460 1.987 -0.552 1.00 . A A . 31 CYS H 1 1 15 6497 1 1 31 CYS HA H 8.235 4.091 -2.406 1.00 . A A . 31 CYS HA 1 1 15 6498 1 1 31 CYS HB2 H 5.810 4.632 -2.376 1.00 . A A . 31 CYS HB2 1 1 15 6499 1 1 31 CYS HB3 H 6.111 2.951 -2.807 1.00 . A A . 31 CYS HB3 1 1 15 6500 1 1 31 CYS N N 8.096 2.567 -1.028 1.00 . A A . 31 CYS N 1 1 15 6501 1 1 31 CYS O O 7.718 6.091 -0.755 1.00 . A A . 31 CYS O 1 1 15 6502 1 1 31 CYS SG S 5.036 3.137 -0.682 1.00 . A A . 31 CYS SG 1 1 15 6503 1 1 32 LYS C C 9.339 5.086 2.499 1.00 . A A . 32 LYS C 1 1 15 6504 1 1 32 LYS CA C 7.984 5.324 1.868 1.00 . A A . 32 LYS CA 1 1 15 6505 1 1 32 LYS CB C 6.889 5.023 2.892 1.00 . A A . 32 LYS CB 1 1 15 6506 1 1 32 LYS CD C 4.517 4.564 3.422 1.00 . A A . 32 LYS CD 1 1 15 6507 1 1 32 LYS CE C 3.125 4.332 2.888 1.00 . A A . 32 LYS CE 1 1 15 6508 1 1 32 LYS CG C 5.488 4.925 2.329 1.00 . A A . 32 LYS CG 1 1 15 6509 1 1 32 LYS H H 7.904 3.474 0.899 1.00 . A A . 32 LYS H 1 1 15 6510 1 1 32 LYS HA H 7.898 6.346 1.530 1.00 . A A . 32 LYS HA 1 1 15 6511 1 1 32 LYS HB2 H 7.112 4.090 3.384 1.00 . A A . 32 LYS HB2 1 1 15 6512 1 1 32 LYS HB3 H 6.896 5.810 3.632 1.00 . A A . 32 LYS HB3 1 1 15 6513 1 1 32 LYS HD2 H 4.854 3.662 3.911 1.00 . A A . 32 LYS HD2 1 1 15 6514 1 1 32 LYS HD3 H 4.490 5.372 4.138 1.00 . A A . 32 LYS HD3 1 1 15 6515 1 1 32 LYS HE2 H 2.798 5.226 2.380 1.00 . A A . 32 LYS HE2 1 1 15 6516 1 1 32 LYS HE3 H 3.151 3.511 2.188 1.00 . A A . 32 LYS HE3 1 1 15 6517 1 1 32 LYS HG2 H 5.210 5.878 1.905 1.00 . A A . 32 LYS HG2 1 1 15 6518 1 1 32 LYS HG3 H 5.465 4.162 1.565 1.00 . A A . 32 LYS HG3 1 1 15 6519 1 1 32 LYS HZ1 H 2.546 3.183 4.505 1.00 . A A . 32 LYS HZ1 1 1 15 6520 1 1 32 LYS HZ2 H 1.233 3.785 3.637 1.00 . A A . 32 LYS HZ2 1 1 15 6521 1 1 32 LYS HZ3 H 2.114 4.794 4.658 1.00 . A A . 32 LYS HZ3 1 1 15 6522 1 1 32 LYS N N 7.868 4.440 0.747 1.00 . A A . 32 LYS N 1 1 15 6523 1 1 32 LYS NZ N 2.190 4.010 3.978 1.00 . A A . 32 LYS NZ 1 1 15 6524 1 1 32 LYS O O 9.425 4.276 3.454 1.00 . A A . 32 LYS O 1 1 15 6525 1 1 32 LYS OXT O 10.336 5.634 2.003 1.00 . A A . 32 LYS OXT 1 1 16 6526 1 1 1 CYS C C -6.869 3.230 5.065 1.00 . A A . 1 CYS C 1 1 16 6527 1 1 1 CYS CA C -6.535 4.571 5.656 1.00 . A A . 1 CYS CA 1 1 16 6528 1 1 1 CYS CB C -5.077 4.615 6.103 1.00 . A A . 1 CYS CB 1 1 16 6529 1 1 1 CYS H1 H -8.396 4.810 6.461 1.00 . A A . 1 CYS H1 1 1 16 6530 1 1 1 CYS H2 H -7.176 5.688 7.268 1.00 . A A . 1 CYS H2 1 1 16 6531 1 1 1 CYS H3 H -7.306 4.016 7.469 1.00 . A A . 1 CYS H3 1 1 16 6532 1 1 1 CYS HA H -6.718 5.336 4.916 1.00 . A A . 1 CYS HA 1 1 16 6533 1 1 1 CYS HB2 H -4.440 4.470 5.243 1.00 . A A . 1 CYS HB2 1 1 16 6534 1 1 1 CYS HB3 H -4.872 5.583 6.535 1.00 . A A . 1 CYS HB3 1 1 16 6535 1 1 1 CYS N N -7.411 4.796 6.791 1.00 . A A . 1 CYS N 1 1 16 6536 1 1 1 CYS O O -7.831 2.590 5.503 1.00 . A A . 1 CYS O 1 1 16 6537 1 1 1 CYS SG S -4.626 3.352 7.337 1.00 . A A . 1 CYS SG 1 1 16 6538 1 1 2 ALA C C -5.298 0.543 3.977 1.00 . A A . 2 ALA C 1 1 16 6539 1 1 2 ALA CA C -6.348 1.527 3.493 1.00 . A A . 2 ALA CA 1 1 16 6540 1 1 2 ALA CB C -6.358 1.639 1.985 1.00 . A A . 2 ALA CB 1 1 16 6541 1 1 2 ALA H H -5.393 3.354 3.722 1.00 . A A . 2 ALA H 1 1 16 6542 1 1 2 ALA HA H -7.317 1.180 3.819 1.00 . A A . 2 ALA HA 1 1 16 6543 1 1 2 ALA HB1 H -6.570 0.676 1.548 1.00 . A A . 2 ALA HB1 1 1 16 6544 1 1 2 ALA HB2 H -5.392 1.984 1.644 1.00 . A A . 2 ALA HB2 1 1 16 6545 1 1 2 ALA HB3 H -7.118 2.346 1.683 1.00 . A A . 2 ALA HB3 1 1 16 6546 1 1 2 ALA N N -6.125 2.804 4.083 1.00 . A A . 2 ALA N 1 1 16 6547 1 1 2 ALA O O -4.096 0.878 4.071 1.00 . A A . 2 ALA O 1 1 16 6548 1 1 3 VAL C C -4.591 -2.642 3.661 1.00 . A A . 3 VAL C 1 1 16 6549 1 1 3 VAL CA C -4.911 -1.697 4.813 1.00 . A A . 3 VAL CA 1 1 16 6550 1 1 3 VAL CB C -5.576 -2.492 5.969 1.00 . A A . 3 VAL CB 1 1 16 6551 1 1 3 VAL CG1 C -5.875 -1.586 7.146 1.00 . A A . 3 VAL CG1 1 1 16 6552 1 1 3 VAL CG2 C -6.835 -3.216 5.501 1.00 . A A . 3 VAL CG2 1 1 16 6553 1 1 3 VAL H H -6.731 -0.773 4.284 1.00 . A A . 3 VAL H 1 1 16 6554 1 1 3 VAL HA H -3.989 -1.261 5.170 1.00 . A A . 3 VAL HA 1 1 16 6555 1 1 3 VAL HB H -4.865 -3.228 6.307 1.00 . A A . 3 VAL HB 1 1 16 6556 1 1 3 VAL HG11 H -6.528 -0.789 6.824 1.00 . A A . 3 VAL HG11 1 1 16 6557 1 1 3 VAL HG12 H -4.954 -1.168 7.523 1.00 . A A . 3 VAL HG12 1 1 16 6558 1 1 3 VAL HG13 H -6.361 -2.154 7.925 1.00 . A A . 3 VAL HG13 1 1 16 6559 1 1 3 VAL HG21 H -7.532 -2.490 5.107 1.00 . A A . 3 VAL HG21 1 1 16 6560 1 1 3 VAL HG22 H -7.288 -3.746 6.325 1.00 . A A . 3 VAL HG22 1 1 16 6561 1 1 3 VAL HG23 H -6.574 -3.914 4.718 1.00 . A A . 3 VAL HG23 1 1 16 6562 1 1 3 VAL N N -5.756 -0.624 4.340 1.00 . A A . 3 VAL N 1 1 16 6563 1 1 3 VAL O O -4.965 -2.374 2.506 1.00 . A A . 3 VAL O 1 1 16 6564 1 1 4 THR C C -4.796 -5.267 2.274 1.00 . A A . 4 THR C 1 1 16 6565 1 1 4 THR CA C -3.535 -4.684 2.947 1.00 . A A . 4 THR CA 1 1 16 6566 1 1 4 THR CB C -2.673 -5.819 3.547 1.00 . A A . 4 THR CB 1 1 16 6567 1 1 4 THR CG2 C -2.053 -6.658 2.438 1.00 . A A . 4 THR CG2 1 1 16 6568 1 1 4 THR H H -3.666 -3.913 4.889 1.00 . A A . 4 THR H 1 1 16 6569 1 1 4 THR HA H -2.955 -4.160 2.201 1.00 . A A . 4 THR HA 1 1 16 6570 1 1 4 THR HB H -3.292 -6.449 4.169 1.00 . A A . 4 THR HB 1 1 16 6571 1 1 4 THR HG1 H -1.983 -5.041 5.203 1.00 . A A . 4 THR HG1 1 1 16 6572 1 1 4 THR HG21 H -1.437 -7.430 2.875 1.00 . A A . 4 THR HG21 1 1 16 6573 1 1 4 THR HG22 H -1.446 -6.029 1.805 1.00 . A A . 4 THR HG22 1 1 16 6574 1 1 4 THR HG23 H -2.837 -7.113 1.849 1.00 . A A . 4 THR HG23 1 1 16 6575 1 1 4 THR N N -3.909 -3.730 3.956 1.00 . A A . 4 THR N 1 1 16 6576 1 1 4 THR O O -5.759 -5.641 2.957 1.00 . A A . 4 THR O 1 1 16 6577 1 1 4 THR OG1 O -1.606 -5.248 4.339 1.00 . A A . 4 THR OG1 1 1 16 6578 1 1 5 HIS C C -7.019 -4.783 -0.122 1.00 . A A . 5 HIS C 1 1 16 6579 1 1 5 HIS CA C -5.875 -5.768 0.080 1.00 . A A . 5 HIS CA 1 1 16 6580 1 1 5 HIS CB C -6.380 -7.178 0.475 1.00 . A A . 5 HIS CB 1 1 16 6581 1 1 5 HIS CD2 C -4.859 -8.787 -0.858 1.00 . A A . 5 HIS CD2 1 1 16 6582 1 1 5 HIS CE1 C -3.925 -9.840 0.783 1.00 . A A . 5 HIS CE1 1 1 16 6583 1 1 5 HIS CG C -5.365 -8.262 0.283 1.00 . A A . 5 HIS CG 1 1 16 6584 1 1 5 HIS H H -4.006 -4.844 0.507 1.00 . A A . 5 HIS H 1 1 16 6585 1 1 5 HIS HA H -5.411 -5.844 -0.893 1.00 . A A . 5 HIS HA 1 1 16 6586 1 1 5 HIS HB2 H -6.658 -7.171 1.518 1.00 . A A . 5 HIS HB2 1 1 16 6587 1 1 5 HIS HB3 H -7.248 -7.420 -0.121 1.00 . A A . 5 HIS HB3 1 1 16 6588 1 1 5 HIS HD1 H -4.913 -8.807 2.274 1.00 . A A . 5 HIS HD1 1 1 16 6589 1 1 5 HIS HD2 H -5.118 -8.486 -1.862 1.00 . A A . 5 HIS HD2 1 1 16 6590 1 1 5 HIS HE1 H -3.313 -10.519 1.357 1.00 . A A . 5 HIS HE1 1 1 16 6591 1 1 5 HIS N N -4.791 -5.249 0.940 1.00 . A A . 5 HIS N 1 1 16 6592 1 1 5 HIS ND1 N -4.759 -8.945 1.313 1.00 . A A . 5 HIS ND1 1 1 16 6593 1 1 5 HIS NE2 N -3.947 -9.787 -0.538 1.00 . A A . 5 HIS NE2 1 1 16 6594 1 1 5 HIS O O -7.979 -5.075 -0.849 1.00 . A A . 5 HIS O 1 1 16 6595 1 1 6 GLU C C -7.403 -1.744 -0.911 1.00 . A A . 6 GLU C 1 1 16 6596 1 1 6 GLU CA C -7.903 -2.579 0.239 1.00 . A A . 6 GLU CA 1 1 16 6597 1 1 6 GLU CB C -8.148 -1.679 1.447 1.00 . A A . 6 GLU CB 1 1 16 6598 1 1 6 GLU CD C -9.287 -1.304 3.618 1.00 . A A . 6 GLU CD 1 1 16 6599 1 1 6 GLU CG C -8.858 -2.328 2.600 1.00 . A A . 6 GLU CG 1 1 16 6600 1 1 6 GLU H H -6.212 -3.456 1.139 1.00 . A A . 6 GLU H 1 1 16 6601 1 1 6 GLU HA H -8.828 -3.053 -0.057 1.00 . A A . 6 GLU HA 1 1 16 6602 1 1 6 GLU HB2 H -7.190 -1.361 1.833 1.00 . A A . 6 GLU HB2 1 1 16 6603 1 1 6 GLU HB3 H -8.716 -0.814 1.138 1.00 . A A . 6 GLU HB3 1 1 16 6604 1 1 6 GLU HG2 H -9.730 -2.844 2.226 1.00 . A A . 6 GLU HG2 1 1 16 6605 1 1 6 GLU HG3 H -8.193 -3.036 3.073 1.00 . A A . 6 GLU HG3 1 1 16 6606 1 1 6 GLU N N -6.937 -3.627 0.501 1.00 . A A . 6 GLU N 1 1 16 6607 1 1 6 GLU O O -6.201 -1.713 -1.164 1.00 . A A . 6 GLU O 1 1 16 6608 1 1 6 GLU OE1 O -10.489 -0.965 3.667 1.00 . A A . 6 GLU OE1 1 1 16 6609 1 1 6 GLU OE2 O -8.450 -0.781 4.350 1.00 . A A . 6 GLU OE2 1 1 16 6610 1 1 7 LYS C C -7.273 1.007 -2.228 1.00 . A A . 7 LYS C 1 1 16 6611 1 1 7 LYS CA C -7.935 -0.261 -2.729 1.00 . A A . 7 LYS CA 1 1 16 6612 1 1 7 LYS CB C -9.158 0.049 -3.593 1.00 . A A . 7 LYS CB 1 1 16 6613 1 1 7 LYS CD C -11.018 -0.883 -5.021 1.00 . A A . 7 LYS CD 1 1 16 6614 1 1 7 LYS CE C -11.613 -2.148 -5.644 1.00 . A A . 7 LYS CE 1 1 16 6615 1 1 7 LYS CG C -9.791 -1.200 -4.188 1.00 . A A . 7 LYS CG 1 1 16 6616 1 1 7 LYS H H -9.246 -1.140 -1.341 1.00 . A A . 7 LYS H 1 1 16 6617 1 1 7 LYS HA H -7.217 -0.812 -3.317 1.00 . A A . 7 LYS HA 1 1 16 6618 1 1 7 LYS HB2 H -9.897 0.554 -2.988 1.00 . A A . 7 LYS HB2 1 1 16 6619 1 1 7 LYS HB3 H -8.861 0.698 -4.403 1.00 . A A . 7 LYS HB3 1 1 16 6620 1 1 7 LYS HD2 H -11.761 -0.417 -4.392 1.00 . A A . 7 LYS HD2 1 1 16 6621 1 1 7 LYS HD3 H -10.738 -0.201 -5.812 1.00 . A A . 7 LYS HD3 1 1 16 6622 1 1 7 LYS HE2 H -12.484 -1.875 -6.221 1.00 . A A . 7 LYS HE2 1 1 16 6623 1 1 7 LYS HE3 H -10.877 -2.587 -6.301 1.00 . A A . 7 LYS HE3 1 1 16 6624 1 1 7 LYS HG2 H -9.066 -1.704 -4.809 1.00 . A A . 7 LYS HG2 1 1 16 6625 1 1 7 LYS HG3 H -10.079 -1.850 -3.375 1.00 . A A . 7 LYS HG3 1 1 16 6626 1 1 7 LYS HZ1 H -12.718 -2.771 -3.963 1.00 . A A . 7 LYS HZ1 1 1 16 6627 1 1 7 LYS HZ2 H -11.204 -3.512 -4.087 1.00 . A A . 7 LYS HZ2 1 1 16 6628 1 1 7 LYS HZ3 H -12.455 -3.974 -5.098 1.00 . A A . 7 LYS HZ3 1 1 16 6629 1 1 7 LYS N N -8.302 -1.090 -1.604 1.00 . A A . 7 LYS N 1 1 16 6630 1 1 7 LYS NZ N -12.016 -3.156 -4.627 1.00 . A A . 7 LYS NZ 1 1 16 6631 1 1 7 LYS O O -7.640 1.530 -1.176 1.00 . A A . 7 LYS O 1 1 16 6632 1 1 8 CYS C C -5.792 3.823 -3.427 1.00 . A A . 8 CYS C 1 1 16 6633 1 1 8 CYS CA C -5.569 2.638 -2.533 1.00 . A A . 8 CYS CA 1 1 16 6634 1 1 8 CYS CB C -4.087 2.265 -2.518 1.00 . A A . 8 CYS CB 1 1 16 6635 1 1 8 CYS H H -6.136 1.106 -3.846 1.00 . A A . 8 CYS H 1 1 16 6636 1 1 8 CYS HA H -5.862 2.885 -1.523 1.00 . A A . 8 CYS HA 1 1 16 6637 1 1 8 CYS HB2 H -3.499 3.159 -2.359 1.00 . A A . 8 CYS HB2 1 1 16 6638 1 1 8 CYS HB3 H -3.904 1.573 -1.710 1.00 . A A . 8 CYS HB3 1 1 16 6639 1 1 8 CYS N N -6.338 1.506 -2.972 1.00 . A A . 8 CYS N 1 1 16 6640 1 1 8 CYS O O -5.875 3.688 -4.652 1.00 . A A . 8 CYS O 1 1 16 6641 1 1 8 CYS SG S -3.495 1.485 -4.067 1.00 . A A . 8 CYS SG 1 1 16 6642 1 1 9 SER C C -4.729 6.729 -3.953 1.00 . A A . 9 SER C 1 1 16 6643 1 1 9 SER CA C -6.110 6.197 -3.570 1.00 . A A . 9 SER CA 1 1 16 6644 1 1 9 SER CB C -6.833 7.202 -2.688 1.00 . A A . 9 SER CB 1 1 16 6645 1 1 9 SER H H -5.983 5.016 -1.840 1.00 . A A . 9 SER H 1 1 16 6646 1 1 9 SER HA H -6.698 5.999 -4.453 1.00 . A A . 9 SER HA 1 1 16 6647 1 1 9 SER HB2 H -6.148 7.585 -1.946 1.00 . A A . 9 SER HB2 1 1 16 6648 1 1 9 SER HB3 H -7.210 8.014 -3.292 1.00 . A A . 9 SER HB3 1 1 16 6649 1 1 9 SER HG H -7.558 6.148 -1.233 1.00 . A A . 9 SER HG 1 1 16 6650 1 1 9 SER N N -5.944 4.974 -2.826 1.00 . A A . 9 SER N 1 1 16 6651 1 1 9 SER O O -4.554 7.416 -4.957 1.00 . A A . 9 SER O 1 1 16 6652 1 1 9 SER OG O -7.933 6.570 -2.025 1.00 . A A . 9 SER OG 1 1 16 6653 1 1 10 ASP C C -1.553 5.948 -2.336 1.00 . A A . 10 ASP C 1 1 16 6654 1 1 10 ASP CA C -2.377 6.774 -3.301 1.00 . A A . 10 ASP CA 1 1 16 6655 1 1 10 ASP CB C -2.242 8.279 -2.983 1.00 . A A . 10 ASP CB 1 1 16 6656 1 1 10 ASP CG C -0.828 8.777 -3.047 1.00 . A A . 10 ASP CG 1 1 16 6657 1 1 10 ASP H H -3.941 5.749 -2.404 1.00 . A A . 10 ASP H 1 1 16 6658 1 1 10 ASP HA H -2.061 6.580 -4.316 1.00 . A A . 10 ASP HA 1 1 16 6659 1 1 10 ASP HB2 H -2.829 8.846 -3.691 1.00 . A A . 10 ASP HB2 1 1 16 6660 1 1 10 ASP HB3 H -2.621 8.453 -1.987 1.00 . A A . 10 ASP HB3 1 1 16 6661 1 1 10 ASP N N -3.753 6.358 -3.150 1.00 . A A . 10 ASP N 1 1 16 6662 1 1 10 ASP O O -2.125 5.237 -1.513 1.00 . A A . 10 ASP O 1 1 16 6663 1 1 10 ASP OD1 O -0.271 9.127 -1.999 1.00 . A A . 10 ASP OD1 1 1 16 6664 1 1 10 ASP OD2 O -0.226 8.771 -4.136 1.00 . A A . 10 ASP OD2 1 1 16 6665 1 1 11 ASP C C 0.525 5.782 -0.117 1.00 . A A . 11 ASP C 1 1 16 6666 1 1 11 ASP CA C 0.649 5.289 -1.537 1.00 . A A . 11 ASP CA 1 1 16 6667 1 1 11 ASP CB C 2.105 5.402 -1.985 1.00 . A A . 11 ASP CB 1 1 16 6668 1 1 11 ASP CG C 2.354 4.790 -3.331 1.00 . A A . 11 ASP CG 1 1 16 6669 1 1 11 ASP H H 0.137 6.614 -3.113 1.00 . A A . 11 ASP H 1 1 16 6670 1 1 11 ASP HA H 0.358 4.250 -1.565 1.00 . A A . 11 ASP HA 1 1 16 6671 1 1 11 ASP HB2 H 2.381 6.444 -2.028 1.00 . A A . 11 ASP HB2 1 1 16 6672 1 1 11 ASP HB3 H 2.732 4.903 -1.260 1.00 . A A . 11 ASP HB3 1 1 16 6673 1 1 11 ASP N N -0.246 6.028 -2.424 1.00 . A A . 11 ASP N 1 1 16 6674 1 1 11 ASP O O 0.608 4.997 0.829 1.00 . A A . 11 ASP O 1 1 16 6675 1 1 11 ASP OD1 O 2.643 3.589 -3.397 1.00 . A A . 11 ASP OD1 1 1 16 6676 1 1 11 ASP OD2 O 2.247 5.503 -4.353 1.00 . A A . 11 ASP OD2 1 1 16 6677 1 1 12 TYR C C -1.230 7.395 1.967 1.00 . A A . 12 TYR C 1 1 16 6678 1 1 12 TYR CA C 0.144 7.666 1.375 1.00 . A A . 12 TYR CA 1 1 16 6679 1 1 12 TYR CB C 0.445 9.161 1.359 1.00 . A A . 12 TYR CB 1 1 16 6680 1 1 12 TYR CD1 C 2.313 9.872 -0.184 1.00 . A A . 12 TYR CD1 1 1 16 6681 1 1 12 TYR CD2 C 2.834 9.355 2.075 1.00 . A A . 12 TYR CD2 1 1 16 6682 1 1 12 TYR CE1 C 3.643 10.145 -0.433 1.00 . A A . 12 TYR CE1 1 1 16 6683 1 1 12 TYR CE2 C 4.156 9.627 1.839 1.00 . A A . 12 TYR CE2 1 1 16 6684 1 1 12 TYR CG C 1.890 9.473 1.075 1.00 . A A . 12 TYR CG 1 1 16 6685 1 1 12 TYR CZ C 4.558 10.021 0.587 1.00 . A A . 12 TYR CZ 1 1 16 6686 1 1 12 TYR H H 0.207 7.668 -0.740 1.00 . A A . 12 TYR H 1 1 16 6687 1 1 12 TYR HA H 0.871 7.176 2.006 1.00 . A A . 12 TYR HA 1 1 16 6688 1 1 12 TYR HB2 H -0.152 9.632 0.594 1.00 . A A . 12 TYR HB2 1 1 16 6689 1 1 12 TYR HB3 H 0.193 9.584 2.319 1.00 . A A . 12 TYR HB3 1 1 16 6690 1 1 12 TYR HD1 H 1.585 9.968 -0.977 1.00 . A A . 12 TYR HD1 1 1 16 6691 1 1 12 TYR HD2 H 2.517 9.040 3.059 1.00 . A A . 12 TYR HD2 1 1 16 6692 1 1 12 TYR HE1 H 3.958 10.456 -1.418 1.00 . A A . 12 TYR HE1 1 1 16 6693 1 1 12 TYR HE2 H 4.878 9.531 2.636 1.00 . A A . 12 TYR HE2 1 1 16 6694 1 1 12 TYR HH H 6.365 9.534 0.756 1.00 . A A . 12 TYR HH 1 1 16 6695 1 1 12 TYR N N 0.287 7.075 0.045 1.00 . A A . 12 TYR N 1 1 16 6696 1 1 12 TYR O O -1.496 7.707 3.127 1.00 . A A . 12 TYR O 1 1 16 6697 1 1 12 TYR OH O 5.894 10.279 0.356 1.00 . A A . 12 TYR OH 1 1 16 6698 1 1 13 ASP C C -3.375 5.046 2.288 1.00 . A A . 13 ASP C 1 1 16 6699 1 1 13 ASP CA C -3.428 6.417 1.609 1.00 . A A . 13 ASP CA 1 1 16 6700 1 1 13 ASP CB C -4.382 6.423 0.402 1.00 . A A . 13 ASP CB 1 1 16 6701 1 1 13 ASP CG C -5.815 6.023 0.712 1.00 . A A . 13 ASP CG 1 1 16 6702 1 1 13 ASP H H -1.804 6.566 0.262 1.00 . A A . 13 ASP H 1 1 16 6703 1 1 13 ASP HA H -3.752 7.151 2.332 1.00 . A A . 13 ASP HA 1 1 16 6704 1 1 13 ASP HB2 H -4.402 7.414 -0.024 1.00 . A A . 13 ASP HB2 1 1 16 6705 1 1 13 ASP HB3 H -3.992 5.742 -0.340 1.00 . A A . 13 ASP HB3 1 1 16 6706 1 1 13 ASP N N -2.085 6.787 1.175 1.00 . A A . 13 ASP N 1 1 16 6707 1 1 13 ASP O O -4.315 4.610 2.953 1.00 . A A . 13 ASP O 1 1 16 6708 1 1 13 ASP OD1 O -6.392 6.482 1.727 1.00 . A A . 13 ASP OD1 1 1 16 6709 1 1 13 ASP OD2 O -6.418 5.294 -0.117 1.00 . A A . 13 ASP OD2 1 1 16 6710 1 1 14 CYS C C -1.173 3.304 4.006 1.00 . A A . 14 CYS C 1 1 16 6711 1 1 14 CYS CA C -2.019 3.115 2.769 1.00 . A A . 14 CYS CA 1 1 16 6712 1 1 14 CYS CB C -1.279 2.177 1.835 1.00 . A A . 14 CYS CB 1 1 16 6713 1 1 14 CYS H H -1.515 4.802 1.633 1.00 . A A . 14 CYS H 1 1 16 6714 1 1 14 CYS HA H -2.973 2.681 3.031 1.00 . A A . 14 CYS HA 1 1 16 6715 1 1 14 CYS HB2 H -0.254 2.504 1.739 1.00 . A A . 14 CYS HB2 1 1 16 6716 1 1 14 CYS HB3 H -1.307 1.209 2.316 1.00 . A A . 14 CYS HB3 1 1 16 6717 1 1 14 CYS N N -2.241 4.396 2.151 1.00 . A A . 14 CYS N 1 1 16 6718 1 1 14 CYS O O -0.223 4.099 4.006 1.00 . A A . 14 CYS O 1 1 16 6719 1 1 14 CYS SG S -1.986 2.022 0.163 1.00 . A A . 14 CYS SG 1 1 16 6720 1 1 15 CYS C C 0.375 1.618 6.311 1.00 . A A . 15 CYS C 1 1 16 6721 1 1 15 CYS CA C -0.767 2.639 6.280 1.00 . A A . 15 CYS CA 1 1 16 6722 1 1 15 CYS CB C -1.721 2.414 7.435 1.00 . A A . 15 CYS CB 1 1 16 6723 1 1 15 CYS H H -2.283 1.995 4.967 1.00 . A A . 15 CYS H 1 1 16 6724 1 1 15 CYS HA H -0.347 3.630 6.374 1.00 . A A . 15 CYS HA 1 1 16 6725 1 1 15 CYS HB2 H -2.389 1.638 7.091 1.00 . A A . 15 CYS HB2 1 1 16 6726 1 1 15 CYS HB3 H -1.185 2.086 8.313 1.00 . A A . 15 CYS HB3 1 1 16 6727 1 1 15 CYS N N -1.505 2.592 5.034 1.00 . A A . 15 CYS N 1 1 16 6728 1 1 15 CYS O O 0.584 0.876 5.342 1.00 . A A . 15 CYS O 1 1 16 6729 1 1 15 CYS SG S -2.744 3.870 7.857 1.00 . A A . 15 CYS SG 1 1 16 6730 1 1 16 GLY C C 3.340 0.880 6.610 1.00 . A A . 16 GLY C 1 1 16 6731 1 1 16 GLY CA C 2.215 0.687 7.597 1.00 . A A . 16 GLY CA 1 1 16 6732 1 1 16 GLY H H 0.973 2.291 8.104 1.00 . A A . 16 GLY H 1 1 16 6733 1 1 16 GLY HA2 H 2.603 0.808 8.597 1.00 . A A . 16 GLY HA2 1 1 16 6734 1 1 16 GLY HA3 H 1.823 -0.315 7.494 1.00 . A A . 16 GLY HA3 1 1 16 6735 1 1 16 GLY N N 1.134 1.625 7.404 1.00 . A A . 16 GLY N 1 1 16 6736 1 1 16 GLY O O 3.839 1.987 6.428 1.00 . A A . 16 GLY O 1 1 16 6737 1 1 17 SER C C 4.198 -0.565 3.639 1.00 . A A . 17 SER C 1 1 16 6738 1 1 17 SER CA C 4.770 -0.169 4.991 1.00 . A A . 17 SER CA 1 1 16 6739 1 1 17 SER CB C 5.883 -1.122 5.442 1.00 . A A . 17 SER CB 1 1 16 6740 1 1 17 SER H H 3.289 -1.040 6.177 1.00 . A A . 17 SER H 1 1 16 6741 1 1 17 SER HA H 5.166 0.834 4.930 1.00 . A A . 17 SER HA 1 1 16 6742 1 1 17 SER HB2 H 6.548 -1.312 4.612 1.00 . A A . 17 SER HB2 1 1 16 6743 1 1 17 SER HB3 H 6.438 -0.666 6.249 1.00 . A A . 17 SER HB3 1 1 16 6744 1 1 17 SER HG H 4.894 -2.818 5.175 1.00 . A A . 17 SER HG 1 1 16 6745 1 1 17 SER N N 3.722 -0.181 5.975 1.00 . A A . 17 SER N 1 1 16 6746 1 1 17 SER O O 4.907 -1.048 2.754 1.00 . A A . 17 SER O 1 1 16 6747 1 1 17 SER OG O 5.351 -2.373 5.899 1.00 . A A . 17 SER OG 1 1 16 6748 1 1 18 LEU C C 2.355 0.394 1.234 1.00 . A A . 18 LEU C 1 1 16 6749 1 1 18 LEU CA C 2.199 -0.683 2.284 1.00 . A A . 18 LEU CA 1 1 16 6750 1 1 18 LEU CB C 0.722 -0.848 2.597 1.00 . A A . 18 LEU CB 1 1 16 6751 1 1 18 LEU CD1 C -1.110 -1.816 3.963 1.00 . A A . 18 LEU CD1 1 1 16 6752 1 1 18 LEU CD2 C 0.810 -3.239 3.302 1.00 . A A . 18 LEU CD2 1 1 16 6753 1 1 18 LEU CG C 0.372 -1.846 3.688 1.00 . A A . 18 LEU CG 1 1 16 6754 1 1 18 LEU H H 2.424 0.106 4.217 1.00 . A A . 18 LEU H 1 1 16 6755 1 1 18 LEU HA H 2.578 -1.621 1.907 1.00 . A A . 18 LEU HA 1 1 16 6756 1 1 18 LEU HB2 H 0.345 0.117 2.898 1.00 . A A . 18 LEU HB2 1 1 16 6757 1 1 18 LEU HB3 H 0.217 -1.147 1.690 1.00 . A A . 18 LEU HB3 1 1 16 6758 1 1 18 LEU HD11 H -1.348 -2.529 4.740 1.00 . A A . 18 LEU HD11 1 1 16 6759 1 1 18 LEU HD12 H -1.643 -2.077 3.061 1.00 . A A . 18 LEU HD12 1 1 16 6760 1 1 18 LEU HD13 H -1.399 -0.827 4.282 1.00 . A A . 18 LEU HD13 1 1 16 6761 1 1 18 LEU HD21 H 0.517 -3.923 4.084 1.00 . A A . 18 LEU HD21 1 1 16 6762 1 1 18 LEU HD22 H 1.883 -3.263 3.185 1.00 . A A . 18 LEU HD22 1 1 16 6763 1 1 18 LEU HD23 H 0.334 -3.525 2.377 1.00 . A A . 18 LEU HD23 1 1 16 6764 1 1 18 LEU HG H 0.885 -1.566 4.596 1.00 . A A . 18 LEU HG 1 1 16 6765 1 1 18 LEU N N 2.915 -0.331 3.487 1.00 . A A . 18 LEU N 1 1 16 6766 1 1 18 LEU O O 2.461 1.586 1.558 1.00 . A A . 18 LEU O 1 1 16 6767 1 1 19 CYS C C 1.232 0.644 -1.992 1.00 . A A . 19 CYS C 1 1 16 6768 1 1 19 CYS CA C 2.440 0.879 -1.109 1.00 . A A . 19 CYS CA 1 1 16 6769 1 1 19 CYS CB C 3.745 0.644 -1.866 1.00 . A A . 19 CYS CB 1 1 16 6770 1 1 19 CYS H H 2.277 -0.976 -0.185 1.00 . A A . 19 CYS H 1 1 16 6771 1 1 19 CYS HA H 2.412 1.892 -0.734 1.00 . A A . 19 CYS HA 1 1 16 6772 1 1 19 CYS HB2 H 3.765 -0.368 -2.241 1.00 . A A . 19 CYS HB2 1 1 16 6773 1 1 19 CYS HB3 H 3.804 1.336 -2.692 1.00 . A A . 19 CYS HB3 1 1 16 6774 1 1 19 CYS N N 2.352 -0.013 0.009 1.00 . A A . 19 CYS N 1 1 16 6775 1 1 19 CYS O O 0.527 -0.367 -1.821 1.00 . A A . 19 CYS O 1 1 16 6776 1 1 19 CYS SG S 5.229 0.890 -0.827 1.00 . A A . 19 CYS SG 1 1 16 6777 1 1 20 CYS C C 0.119 0.750 -5.039 1.00 . A A . 20 CYS C 1 1 16 6778 1 1 20 CYS CA C -0.196 1.448 -3.727 1.00 . A A . 20 CYS CA 1 1 16 6779 1 1 20 CYS CB C -0.775 2.844 -3.981 1.00 . A A . 20 CYS CB 1 1 16 6780 1 1 20 CYS H H 1.602 2.289 -3.059 1.00 . A A . 20 CYS H 1 1 16 6781 1 1 20 CYS HA H -0.933 0.866 -3.193 1.00 . A A . 20 CYS HA 1 1 16 6782 1 1 20 CYS HB2 H -0.981 3.313 -3.031 1.00 . A A . 20 CYS HB2 1 1 16 6783 1 1 20 CYS HB3 H -0.040 3.435 -4.509 1.00 . A A . 20 CYS HB3 1 1 16 6784 1 1 20 CYS N N 0.976 1.539 -2.901 1.00 . A A . 20 CYS N 1 1 16 6785 1 1 20 CYS O O 0.966 1.201 -5.817 1.00 . A A . 20 CYS O 1 1 16 6786 1 1 20 CYS SG S -2.326 2.885 -4.947 1.00 . A A . 20 CYS SG 1 1 16 6787 1 1 21 VAL C C -1.832 -1.560 -6.891 1.00 . A A . 21 VAL C 1 1 16 6788 1 1 21 VAL CA C -0.430 -1.140 -6.482 1.00 . A A . 21 VAL CA 1 1 16 6789 1 1 21 VAL CB C 0.499 -2.400 -6.328 1.00 . A A . 21 VAL CB 1 1 16 6790 1 1 21 VAL CG1 C 1.957 -1.988 -6.239 1.00 . A A . 21 VAL CG1 1 1 16 6791 1 1 21 VAL CG2 C 0.125 -3.230 -5.097 1.00 . A A . 21 VAL CG2 1 1 16 6792 1 1 21 VAL H H -1.111 -0.716 -4.535 1.00 . A A . 21 VAL H 1 1 16 6793 1 1 21 VAL HA H -0.027 -0.482 -7.238 1.00 . A A . 21 VAL HA 1 1 16 6794 1 1 21 VAL HB H 0.376 -3.017 -7.207 1.00 . A A . 21 VAL HB 1 1 16 6795 1 1 21 VAL HG11 H 2.574 -2.868 -6.135 1.00 . A A . 21 VAL HG11 1 1 16 6796 1 1 21 VAL HG12 H 2.095 -1.350 -5.380 1.00 . A A . 21 VAL HG12 1 1 16 6797 1 1 21 VAL HG13 H 2.240 -1.452 -7.132 1.00 . A A . 21 VAL HG13 1 1 16 6798 1 1 21 VAL HG21 H -0.897 -3.565 -5.186 1.00 . A A . 21 VAL HG21 1 1 16 6799 1 1 21 VAL HG22 H 0.226 -2.620 -4.210 1.00 . A A . 21 VAL HG22 1 1 16 6800 1 1 21 VAL HG23 H 0.781 -4.084 -5.023 1.00 . A A . 21 VAL HG23 1 1 16 6801 1 1 21 VAL N N -0.530 -0.368 -5.250 1.00 . A A . 21 VAL N 1 1 16 6802 1 1 21 VAL O O -2.086 -2.694 -7.275 1.00 . A A . 21 VAL O 1 1 16 6803 1 1 22 GLY C C -4.801 -1.153 -5.706 1.00 . A A . 22 GLY C 1 1 16 6804 1 1 22 GLY CA C -4.147 -0.912 -7.028 1.00 . A A . 22 GLY CA 1 1 16 6805 1 1 22 GLY H H -2.483 0.282 -6.537 1.00 . A A . 22 GLY H 1 1 16 6806 1 1 22 GLY HA2 H -4.616 -0.081 -7.534 1.00 . A A . 22 GLY HA2 1 1 16 6807 1 1 22 GLY HA3 H -4.233 -1.806 -7.628 1.00 . A A . 22 GLY HA3 1 1 16 6808 1 1 22 GLY N N -2.747 -0.628 -6.788 1.00 . A A . 22 GLY N 1 1 16 6809 1 1 22 GLY O O -5.854 -0.575 -5.371 1.00 . A A . 22 GLY O 1 1 16 6810 1 1 23 ILE C C -3.284 -1.942 -2.745 1.00 . A A . 23 ILE C 1 1 16 6811 1 1 23 ILE CA C -4.497 -2.262 -3.591 1.00 . A A . 23 ILE CA 1 1 16 6812 1 1 23 ILE CB C -4.899 -3.752 -3.369 1.00 . A A . 23 ILE CB 1 1 16 6813 1 1 23 ILE CD1 C -4.036 -6.171 -3.558 1.00 . A A . 23 ILE CD1 1 1 16 6814 1 1 23 ILE CG1 C -3.765 -4.701 -3.814 1.00 . A A . 23 ILE CG1 1 1 16 6815 1 1 23 ILE CG2 C -6.206 -4.071 -4.088 1.00 . A A . 23 ILE CG2 1 1 16 6816 1 1 23 ILE H H -3.371 -2.432 -5.336 1.00 . A A . 23 ILE H 1 1 16 6817 1 1 23 ILE HA H -5.313 -1.618 -3.302 1.00 . A A . 23 ILE HA 1 1 16 6818 1 1 23 ILE HB H -5.071 -3.886 -2.310 1.00 . A A . 23 ILE HB 1 1 16 6819 1 1 23 ILE HD11 H -3.206 -6.756 -3.925 1.00 . A A . 23 ILE HD11 1 1 16 6820 1 1 23 ILE HD12 H -4.941 -6.467 -4.068 1.00 . A A . 23 ILE HD12 1 1 16 6821 1 1 23 ILE HD13 H -4.147 -6.337 -2.497 1.00 . A A . 23 ILE HD13 1 1 16 6822 1 1 23 ILE HG12 H -3.610 -4.577 -4.875 1.00 . A A . 23 ILE HG12 1 1 16 6823 1 1 23 ILE HG13 H -2.857 -4.430 -3.294 1.00 . A A . 23 ILE HG13 1 1 16 6824 1 1 23 ILE HG21 H -6.993 -3.438 -3.705 1.00 . A A . 23 ILE HG21 1 1 16 6825 1 1 23 ILE HG22 H -6.465 -5.107 -3.927 1.00 . A A . 23 ILE HG22 1 1 16 6826 1 1 23 ILE HG23 H -6.083 -3.892 -5.146 1.00 . A A . 23 ILE HG23 1 1 16 6827 1 1 23 ILE N N -4.154 -1.984 -4.949 1.00 . A A . 23 ILE N 1 1 16 6828 1 1 23 ILE O O -2.176 -1.787 -3.287 1.00 . A A . 23 ILE O 1 1 16 6829 1 1 24 CYS C C -1.730 -2.907 -0.251 1.00 . A A . 24 CYS C 1 1 16 6830 1 1 24 CYS CA C -2.366 -1.576 -0.582 1.00 . A A . 24 CYS CA 1 1 16 6831 1 1 24 CYS CB C -2.815 -0.862 0.687 1.00 . A A . 24 CYS CB 1 1 16 6832 1 1 24 CYS H H -4.391 -1.817 -1.123 1.00 . A A . 24 CYS H 1 1 16 6833 1 1 24 CYS HA H -1.642 -0.965 -1.100 1.00 . A A . 24 CYS HA 1 1 16 6834 1 1 24 CYS HB2 H -3.547 -1.472 1.197 1.00 . A A . 24 CYS HB2 1 1 16 6835 1 1 24 CYS HB3 H -1.960 -0.722 1.333 1.00 . A A . 24 CYS HB3 1 1 16 6836 1 1 24 CYS N N -3.472 -1.796 -1.474 1.00 . A A . 24 CYS N 1 1 16 6837 1 1 24 CYS O O -2.410 -3.840 0.202 1.00 . A A . 24 CYS O 1 1 16 6838 1 1 24 CYS SG S -3.563 0.767 0.395 1.00 . A A . 24 CYS SG 1 1 16 6839 1 1 25 ALA C C 1.739 -3.837 -0.103 1.00 . A A . 25 ALA C 1 1 16 6840 1 1 25 ALA CA C 0.295 -4.219 -0.281 1.00 . A A . 25 ALA CA 1 1 16 6841 1 1 25 ALA CB C 0.145 -5.179 -1.455 1.00 . A A . 25 ALA CB 1 1 16 6842 1 1 25 ALA H H 0.017 -2.247 -0.917 1.00 . A A . 25 ALA H 1 1 16 6843 1 1 25 ALA HA H -0.077 -4.692 0.616 1.00 . A A . 25 ALA HA 1 1 16 6844 1 1 25 ALA HB1 H -0.894 -5.453 -1.568 1.00 . A A . 25 ALA HB1 1 1 16 6845 1 1 25 ALA HB2 H 0.734 -6.066 -1.273 1.00 . A A . 25 ALA HB2 1 1 16 6846 1 1 25 ALA HB3 H 0.490 -4.699 -2.359 1.00 . A A . 25 ALA HB3 1 1 16 6847 1 1 25 ALA N N -0.460 -3.015 -0.526 1.00 . A A . 25 ALA N 1 1 16 6848 1 1 25 ALA O O 2.112 -2.703 -0.418 1.00 . A A . 25 ALA O 1 1 16 6849 1 1 26 LYS C C 4.650 -4.826 -0.708 1.00 . A A . 26 LYS C 1 1 16 6850 1 1 26 LYS CA C 3.946 -4.435 0.571 1.00 . A A . 26 LYS CA 1 1 16 6851 1 1 26 LYS CB C 4.559 -5.160 1.775 1.00 . A A . 26 LYS CB 1 1 16 6852 1 1 26 LYS CD C 6.625 -5.519 3.185 1.00 . A A . 26 LYS CD 1 1 16 6853 1 1 26 LYS CE C 8.088 -5.135 3.347 1.00 . A A . 26 LYS CE 1 1 16 6854 1 1 26 LYS CG C 6.009 -4.770 2.024 1.00 . A A . 26 LYS CG 1 1 16 6855 1 1 26 LYS H H 2.216 -5.621 0.659 1.00 . A A . 26 LYS H 1 1 16 6856 1 1 26 LYS HA H 4.039 -3.366 0.699 1.00 . A A . 26 LYS HA 1 1 16 6857 1 1 26 LYS HB2 H 3.980 -4.922 2.655 1.00 . A A . 26 LYS HB2 1 1 16 6858 1 1 26 LYS HB3 H 4.518 -6.225 1.601 1.00 . A A . 26 LYS HB3 1 1 16 6859 1 1 26 LYS HD2 H 6.090 -5.272 4.090 1.00 . A A . 26 LYS HD2 1 1 16 6860 1 1 26 LYS HD3 H 6.556 -6.580 2.998 1.00 . A A . 26 LYS HD3 1 1 16 6861 1 1 26 LYS HE2 H 8.610 -5.357 2.428 1.00 . A A . 26 LYS HE2 1 1 16 6862 1 1 26 LYS HE3 H 8.145 -4.075 3.540 1.00 . A A . 26 LYS HE3 1 1 16 6863 1 1 26 LYS HG2 H 6.585 -4.970 1.134 1.00 . A A . 26 LYS HG2 1 1 16 6864 1 1 26 LYS HG3 H 6.044 -3.711 2.234 1.00 . A A . 26 LYS HG3 1 1 16 6865 1 1 26 LYS HZ1 H 9.754 -5.626 4.483 1.00 . A A . 26 LYS HZ1 1 1 16 6866 1 1 26 LYS HZ2 H 8.648 -6.889 4.313 1.00 . A A . 26 LYS HZ2 1 1 16 6867 1 1 26 LYS HZ3 H 8.312 -5.617 5.362 1.00 . A A . 26 LYS HZ3 1 1 16 6868 1 1 26 LYS N N 2.547 -4.731 0.412 1.00 . A A . 26 LYS N 1 1 16 6869 1 1 26 LYS NZ N 8.742 -5.862 4.446 1.00 . A A . 26 LYS NZ 1 1 16 6870 1 1 26 LYS O O 4.458 -5.931 -1.220 1.00 . A A . 26 LYS O 1 1 16 6871 1 1 27 THR C C 7.543 -4.470 -2.333 1.00 . A A . 27 THR C 1 1 16 6872 1 1 27 THR CA C 6.060 -4.129 -2.490 1.00 . A A . 27 THR CA 1 1 16 6873 1 1 27 THR CB C 5.885 -2.852 -3.307 1.00 . A A . 27 THR CB 1 1 16 6874 1 1 27 THR CG2 C 4.482 -2.770 -3.874 1.00 . A A . 27 THR CG2 1 1 16 6875 1 1 27 THR H H 5.583 -3.076 -0.784 1.00 . A A . 27 THR H 1 1 16 6876 1 1 27 THR HA H 5.550 -4.924 -3.010 1.00 . A A . 27 THR HA 1 1 16 6877 1 1 27 THR HB H 6.606 -2.840 -4.111 1.00 . A A . 27 THR HB 1 1 16 6878 1 1 27 THR HG1 H 6.896 -1.240 -2.739 1.00 . A A . 27 THR HG1 1 1 16 6879 1 1 27 THR HG21 H 4.304 -3.615 -4.522 1.00 . A A . 27 THR HG21 1 1 16 6880 1 1 27 THR HG22 H 4.373 -1.854 -4.437 1.00 . A A . 27 THR HG22 1 1 16 6881 1 1 27 THR HG23 H 3.767 -2.781 -3.064 1.00 . A A . 27 THR HG23 1 1 16 6882 1 1 27 THR N N 5.416 -3.935 -1.231 1.00 . A A . 27 THR N 1 1 16 6883 1 1 27 THR O O 8.069 -4.500 -1.209 1.00 . A A . 27 THR O 1 1 16 6884 1 1 27 THR OG1 O 6.114 -1.726 -2.438 1.00 . A A . 27 THR OG1 1 1 16 6885 1 1 28 ILE C C 10.325 -3.656 -3.316 1.00 . A A . 28 ILE C 1 1 16 6886 1 1 28 ILE CA C 9.633 -5.004 -3.459 1.00 . A A . 28 ILE CA 1 1 16 6887 1 1 28 ILE CB C 10.080 -5.688 -4.787 1.00 . A A . 28 ILE CB 1 1 16 6888 1 1 28 ILE CD1 C 9.751 -7.802 -6.210 1.00 . A A . 28 ILE CD1 1 1 16 6889 1 1 28 ILE CG1 C 9.432 -7.075 -4.916 1.00 . A A . 28 ILE CG1 1 1 16 6890 1 1 28 ILE CG2 C 11.603 -5.783 -4.875 1.00 . A A . 28 ILE CG2 1 1 16 6891 1 1 28 ILE H H 7.699 -4.885 -4.281 1.00 . A A . 28 ILE H 1 1 16 6892 1 1 28 ILE HA H 9.890 -5.634 -2.620 1.00 . A A . 28 ILE HA 1 1 16 6893 1 1 28 ILE HB H 9.744 -5.071 -5.607 1.00 . A A . 28 ILE HB 1 1 16 6894 1 1 28 ILE HD11 H 9.258 -8.763 -6.215 1.00 . A A . 28 ILE HD11 1 1 16 6895 1 1 28 ILE HD12 H 10.819 -7.944 -6.288 1.00 . A A . 28 ILE HD12 1 1 16 6896 1 1 28 ILE HD13 H 9.403 -7.215 -7.047 1.00 . A A . 28 ILE HD13 1 1 16 6897 1 1 28 ILE HG12 H 9.765 -7.700 -4.100 1.00 . A A . 28 ILE HG12 1 1 16 6898 1 1 28 ILE HG13 H 8.361 -6.957 -4.856 1.00 . A A . 28 ILE HG13 1 1 16 6899 1 1 28 ILE HG21 H 11.973 -6.346 -4.031 1.00 . A A . 28 ILE HG21 1 1 16 6900 1 1 28 ILE HG22 H 12.028 -4.790 -4.860 1.00 . A A . 28 ILE HG22 1 1 16 6901 1 1 28 ILE HG23 H 11.882 -6.281 -5.792 1.00 . A A . 28 ILE HG23 1 1 16 6902 1 1 28 ILE N N 8.198 -4.781 -3.442 1.00 . A A . 28 ILE N 1 1 16 6903 1 1 28 ILE O O 11.246 -3.482 -2.505 1.00 . A A . 28 ILE O 1 1 16 6904 1 1 29 ALA C C 9.626 -0.619 -2.926 1.00 . A A . 29 ALA C 1 1 16 6905 1 1 29 ALA CA C 10.348 -1.358 -4.035 1.00 . A A . 29 ALA CA 1 1 16 6906 1 1 29 ALA CB C 10.129 -0.665 -5.360 1.00 . A A . 29 ALA CB 1 1 16 6907 1 1 29 ALA H H 9.128 -2.919 -4.712 1.00 . A A . 29 ALA H 1 1 16 6908 1 1 29 ALA HA H 11.406 -1.397 -3.825 1.00 . A A . 29 ALA HA 1 1 16 6909 1 1 29 ALA HB1 H 9.070 -0.625 -5.572 1.00 . A A . 29 ALA HB1 1 1 16 6910 1 1 29 ALA HB2 H 10.633 -1.218 -6.139 1.00 . A A . 29 ALA HB2 1 1 16 6911 1 1 29 ALA HB3 H 10.525 0.337 -5.310 1.00 . A A . 29 ALA HB3 1 1 16 6912 1 1 29 ALA N N 9.851 -2.704 -4.087 1.00 . A A . 29 ALA N 1 1 16 6913 1 1 29 ALA O O 8.400 -0.496 -2.961 1.00 . A A . 29 ALA O 1 1 16 6914 1 1 30 PRO C C 9.389 1.961 -1.084 1.00 . A A . 30 PRO C 1 1 16 6915 1 1 30 PRO CA C 9.756 0.513 -0.788 1.00 . A A . 30 PRO CA 1 1 16 6916 1 1 30 PRO CB C 10.852 0.434 0.272 1.00 . A A . 30 PRO CB 1 1 16 6917 1 1 30 PRO CD C 11.823 -0.209 -1.832 1.00 . A A . 30 PRO CD 1 1 16 6918 1 1 30 PRO CG C 12.133 0.389 -0.490 1.00 . A A . 30 PRO CG 1 1 16 6919 1 1 30 PRO HA H 8.880 -0.014 -0.440 1.00 . A A . 30 PRO HA 1 1 16 6920 1 1 30 PRO HB2 H 10.798 1.306 0.906 1.00 . A A . 30 PRO HB2 1 1 16 6921 1 1 30 PRO HB3 H 10.719 -0.457 0.864 1.00 . A A . 30 PRO HB3 1 1 16 6922 1 1 30 PRO HD2 H 12.278 0.371 -2.620 1.00 . A A . 30 PRO HD2 1 1 16 6923 1 1 30 PRO HD3 H 12.163 -1.232 -1.869 1.00 . A A . 30 PRO HD3 1 1 16 6924 1 1 30 PRO HG2 H 12.521 1.390 -0.612 1.00 . A A . 30 PRO HG2 1 1 16 6925 1 1 30 PRO HG3 H 12.850 -0.223 0.036 1.00 . A A . 30 PRO HG3 1 1 16 6926 1 1 30 PRO N N 10.350 -0.150 -1.926 1.00 . A A . 30 PRO N 1 1 16 6927 1 1 30 PRO O O 10.223 2.750 -1.526 1.00 . A A . 30 PRO O 1 1 16 6928 1 1 31 CYS C C 7.896 4.422 0.227 1.00 . A A . 31 CYS C 1 1 16 6929 1 1 31 CYS CA C 7.697 3.657 -1.072 1.00 . A A . 31 CYS CA 1 1 16 6930 1 1 31 CYS CB C 6.225 3.673 -1.488 1.00 . A A . 31 CYS CB 1 1 16 6931 1 1 31 CYS H H 7.487 1.620 -0.613 1.00 . A A . 31 CYS H 1 1 16 6932 1 1 31 CYS HA H 8.298 4.108 -1.849 1.00 . A A . 31 CYS HA 1 1 16 6933 1 1 31 CYS HB2 H 5.895 4.696 -1.585 1.00 . A A . 31 CYS HB2 1 1 16 6934 1 1 31 CYS HB3 H 6.120 3.173 -2.440 1.00 . A A . 31 CYS HB3 1 1 16 6935 1 1 31 CYS N N 8.146 2.296 -0.884 1.00 . A A . 31 CYS N 1 1 16 6936 1 1 31 CYS O O 8.027 5.650 0.242 1.00 . A A . 31 CYS O 1 1 16 6937 1 1 31 CYS SG S 5.116 2.842 -0.297 1.00 . A A . 31 CYS SG 1 1 16 6938 1 1 32 LYS C C 9.395 3.636 3.193 1.00 . A A . 32 LYS C 1 1 16 6939 1 1 32 LYS CA C 8.129 4.227 2.627 1.00 . A A . 32 LYS CA 1 1 16 6940 1 1 32 LYS CB C 6.932 3.901 3.534 1.00 . A A . 32 LYS CB 1 1 16 6941 1 1 32 LYS CD C 4.481 4.005 3.935 1.00 . A A . 32 LYS CD 1 1 16 6942 1 1 32 LYS CE C 3.163 4.568 3.468 1.00 . A A . 32 LYS CE 1 1 16 6943 1 1 32 LYS CG C 5.621 4.472 3.061 1.00 . A A . 32 LYS CG 1 1 16 6944 1 1 32 LYS H H 7.859 2.705 1.242 1.00 . A A . 32 LYS H 1 1 16 6945 1 1 32 LYS HA H 8.238 5.298 2.541 1.00 . A A . 32 LYS HA 1 1 16 6946 1 1 32 LYS HB2 H 6.791 2.833 3.602 1.00 . A A . 32 LYS HB2 1 1 16 6947 1 1 32 LYS HB3 H 7.128 4.295 4.520 1.00 . A A . 32 LYS HB3 1 1 16 6948 1 1 32 LYS HD2 H 4.427 2.927 3.908 1.00 . A A . 32 LYS HD2 1 1 16 6949 1 1 32 LYS HD3 H 4.660 4.335 4.948 1.00 . A A . 32 LYS HD3 1 1 16 6950 1 1 32 LYS HE2 H 2.385 4.189 4.113 1.00 . A A . 32 LYS HE2 1 1 16 6951 1 1 32 LYS HE3 H 3.217 5.643 3.545 1.00 . A A . 32 LYS HE3 1 1 16 6952 1 1 32 LYS HG2 H 5.672 5.550 3.093 1.00 . A A . 32 LYS HG2 1 1 16 6953 1 1 32 LYS HG3 H 5.445 4.145 2.046 1.00 . A A . 32 LYS HG3 1 1 16 6954 1 1 32 LYS HZ1 H 2.829 3.159 1.956 1.00 . A A . 32 LYS HZ1 1 1 16 6955 1 1 32 LYS HZ2 H 3.579 4.582 1.430 1.00 . A A . 32 LYS HZ2 1 1 16 6956 1 1 32 LYS HZ3 H 1.939 4.581 1.788 1.00 . A A . 32 LYS HZ3 1 1 16 6957 1 1 32 LYS N N 7.936 3.682 1.314 1.00 . A A . 32 LYS N 1 1 16 6958 1 1 32 LYS NZ N 2.863 4.194 2.076 1.00 . A A . 32 LYS NZ 1 1 16 6959 1 1 32 LYS O O 9.366 2.475 3.649 1.00 . A A . 32 LYS O 1 1 16 6960 1 1 32 LYS OXT O 10.437 4.297 3.145 1.00 . A A . 32 LYS OXT 1 1 17 6961 1 1 1 CYS C C -6.205 3.051 5.539 1.00 . A A . 1 CYS C 1 1 17 6962 1 1 1 CYS CA C -5.617 4.311 6.128 1.00 . A A . 1 CYS CA 1 1 17 6963 1 1 1 CYS CB C -4.163 4.095 6.551 1.00 . A A . 1 CYS CB 1 1 17 6964 1 1 1 CYS H1 H -6.034 5.548 7.732 1.00 . A A . 1 CYS H1 1 1 17 6965 1 1 1 CYS H2 H -6.401 3.918 7.979 1.00 . A A . 1 CYS H2 1 1 17 6966 1 1 1 CYS H3 H -7.384 4.861 6.992 1.00 . A A . 1 CYS H3 1 1 17 6967 1 1 1 CYS HA H -5.668 5.103 5.396 1.00 . A A . 1 CYS HA 1 1 17 6968 1 1 1 CYS HB2 H -3.613 3.681 5.719 1.00 . A A . 1 CYS HB2 1 1 17 6969 1 1 1 CYS HB3 H -3.728 5.045 6.823 1.00 . A A . 1 CYS HB3 1 1 17 6970 1 1 1 CYS N N -6.402 4.689 7.283 1.00 . A A . 1 CYS N 1 1 17 6971 1 1 1 CYS O O -7.010 2.391 6.197 1.00 . A A . 1 CYS O 1 1 17 6972 1 1 1 CYS SG S -3.951 2.958 7.970 1.00 . A A . 1 CYS SG 1 1 17 6973 1 1 2 ALA C C -5.358 0.388 4.025 1.00 . A A . 2 ALA C 1 1 17 6974 1 1 2 ALA CA C -6.319 1.518 3.686 1.00 . A A . 2 ALA CA 1 1 17 6975 1 1 2 ALA CB C -6.437 1.711 2.183 1.00 . A A . 2 ALA CB 1 1 17 6976 1 1 2 ALA H H -5.257 3.327 3.803 1.00 . A A . 2 ALA H 1 1 17 6977 1 1 2 ALA HA H -7.293 1.284 4.092 1.00 . A A . 2 ALA HA 1 1 17 6978 1 1 2 ALA HB1 H -5.465 1.946 1.775 1.00 . A A . 2 ALA HB1 1 1 17 6979 1 1 2 ALA HB2 H -7.118 2.522 1.976 1.00 . A A . 2 ALA HB2 1 1 17 6980 1 1 2 ALA HB3 H -6.808 0.803 1.729 1.00 . A A . 2 ALA HB3 1 1 17 6981 1 1 2 ALA N N -5.855 2.734 4.314 1.00 . A A . 2 ALA N 1 1 17 6982 1 1 2 ALA O O -4.127 0.552 3.922 1.00 . A A . 2 ALA O 1 1 17 6983 1 1 3 VAL C C -4.742 -2.751 3.694 1.00 . A A . 3 VAL C 1 1 17 6984 1 1 3 VAL CA C -5.071 -1.849 4.877 1.00 . A A . 3 VAL CA 1 1 17 6985 1 1 3 VAL CB C -5.749 -2.692 6.005 1.00 . A A . 3 VAL CB 1 1 17 6986 1 1 3 VAL CG1 C -6.069 -1.833 7.219 1.00 . A A . 3 VAL CG1 1 1 17 6987 1 1 3 VAL CG2 C -6.998 -3.407 5.500 1.00 . A A . 3 VAL CG2 1 1 17 6988 1 1 3 VAL H H -6.877 -0.811 4.470 1.00 . A A . 3 VAL H 1 1 17 6989 1 1 3 VAL HA H -4.146 -1.444 5.261 1.00 . A A . 3 VAL HA 1 1 17 6990 1 1 3 VAL HB H -5.034 -3.437 6.322 1.00 . A A . 3 VAL HB 1 1 17 6991 1 1 3 VAL HG11 H -6.739 -1.038 6.929 1.00 . A A . 3 VAL HG11 1 1 17 6992 1 1 3 VAL HG12 H -5.155 -1.407 7.610 1.00 . A A . 3 VAL HG12 1 1 17 6993 1 1 3 VAL HG13 H -6.537 -2.441 7.979 1.00 . A A . 3 VAL HG13 1 1 17 6994 1 1 3 VAL HG21 H -7.685 -2.672 5.105 1.00 . A A . 3 VAL HG21 1 1 17 6995 1 1 3 VAL HG22 H -7.467 -3.950 6.308 1.00 . A A . 3 VAL HG22 1 1 17 6996 1 1 3 VAL HG23 H -6.723 -4.091 4.711 1.00 . A A . 3 VAL HG23 1 1 17 6997 1 1 3 VAL N N -5.891 -0.725 4.458 1.00 . A A . 3 VAL N 1 1 17 6998 1 1 3 VAL O O -5.080 -2.437 2.542 1.00 . A A . 3 VAL O 1 1 17 6999 1 1 4 THR C C -4.968 -5.300 2.237 1.00 . A A . 4 THR C 1 1 17 7000 1 1 4 THR CA C -3.707 -4.819 2.983 1.00 . A A . 4 THR CA 1 1 17 7001 1 1 4 THR CB C -3.044 -6.018 3.677 1.00 . A A . 4 THR CB 1 1 17 7002 1 1 4 THR CG2 C -2.254 -6.839 2.672 1.00 . A A . 4 THR CG2 1 1 17 7003 1 1 4 THR H H -3.805 -4.039 4.898 1.00 . A A . 4 THR H 1 1 17 7004 1 1 4 THR HA H -3.004 -4.379 2.292 1.00 . A A . 4 THR HA 1 1 17 7005 1 1 4 THR HB H -3.812 -6.634 4.120 1.00 . A A . 4 THR HB 1 1 17 7006 1 1 4 THR HG1 H -2.480 -5.896 5.541 1.00 . A A . 4 THR HG1 1 1 17 7007 1 1 4 THR HG21 H -2.923 -7.215 1.912 1.00 . A A . 4 THR HG21 1 1 17 7008 1 1 4 THR HG22 H -1.767 -7.663 3.174 1.00 . A A . 4 THR HG22 1 1 17 7009 1 1 4 THR HG23 H -1.511 -6.206 2.210 1.00 . A A . 4 THR HG23 1 1 17 7010 1 1 4 THR N N -4.075 -3.850 3.976 1.00 . A A . 4 THR N 1 1 17 7011 1 1 4 THR O O -5.990 -5.588 2.869 1.00 . A A . 4 THR O 1 1 17 7012 1 1 4 THR OG1 O -2.145 -5.540 4.707 1.00 . A A . 4 THR OG1 1 1 17 7013 1 1 5 HIS C C -7.083 -4.711 -0.211 1.00 . A A . 5 HIS C 1 1 17 7014 1 1 5 HIS CA C -5.991 -5.758 0.007 1.00 . A A . 5 HIS CA 1 1 17 7015 1 1 5 HIS CB C -6.624 -7.110 0.411 1.00 . A A . 5 HIS CB 1 1 17 7016 1 1 5 HIS CD2 C -4.857 -8.674 -0.623 1.00 . A A . 5 HIS CD2 1 1 17 7017 1 1 5 HIS CE1 C -4.739 -10.162 0.941 1.00 . A A . 5 HIS CE1 1 1 17 7018 1 1 5 HIS CG C -5.703 -8.284 0.351 1.00 . A A . 5 HIS CG 1 1 17 7019 1 1 5 HIS H H -4.064 -4.975 0.498 1.00 . A A . 5 HIS H 1 1 17 7020 1 1 5 HIS HA H -5.518 -5.890 -0.956 1.00 . A A . 5 HIS HA 1 1 17 7021 1 1 5 HIS HB2 H -6.979 -7.033 1.427 1.00 . A A . 5 HIS HB2 1 1 17 7022 1 1 5 HIS HB3 H -7.465 -7.304 -0.238 1.00 . A A . 5 HIS HB3 1 1 17 7023 1 1 5 HIS HD1 H -6.137 -9.255 2.168 1.00 . A A . 5 HIS HD1 1 1 17 7024 1 1 5 HIS HD2 H -4.677 -8.149 -1.550 1.00 . A A . 5 HIS HD2 1 1 17 7025 1 1 5 HIS HE1 H -4.470 -11.036 1.513 1.00 . A A . 5 HIS HE1 1 1 17 7026 1 1 5 HIS N N -4.897 -5.308 0.905 1.00 . A A . 5 HIS N 1 1 17 7027 1 1 5 HIS ND1 N -5.616 -9.242 1.336 1.00 . A A . 5 HIS ND1 1 1 17 7028 1 1 5 HIS NE2 N -4.244 -9.866 -0.252 1.00 . A A . 5 HIS NE2 1 1 17 7029 1 1 5 HIS O O -8.001 -4.930 -1.010 1.00 . A A . 5 HIS O 1 1 17 7030 1 1 6 GLU C C -7.467 -1.696 -0.919 1.00 . A A . 6 GLU C 1 1 17 7031 1 1 6 GLU CA C -7.971 -2.535 0.226 1.00 . A A . 6 GLU CA 1 1 17 7032 1 1 6 GLU CB C -8.229 -1.660 1.452 1.00 . A A . 6 GLU CB 1 1 17 7033 1 1 6 GLU CD C -9.414 -1.343 3.616 1.00 . A A . 6 GLU CD 1 1 17 7034 1 1 6 GLU CG C -9.006 -2.328 2.555 1.00 . A A . 6 GLU CG 1 1 17 7035 1 1 6 GLU H H -6.326 -3.462 1.163 1.00 . A A . 6 GLU H 1 1 17 7036 1 1 6 GLU HA H -8.893 -3.005 -0.084 1.00 . A A . 6 GLU HA 1 1 17 7037 1 1 6 GLU HB2 H -7.278 -1.392 1.889 1.00 . A A . 6 GLU HB2 1 1 17 7038 1 1 6 GLU HB3 H -8.758 -0.766 1.154 1.00 . A A . 6 GLU HB3 1 1 17 7039 1 1 6 GLU HG2 H -9.895 -2.778 2.135 1.00 . A A . 6 GLU HG2 1 1 17 7040 1 1 6 GLU HG3 H -8.391 -3.094 3.006 1.00 . A A . 6 GLU HG3 1 1 17 7041 1 1 6 GLU N N -7.022 -3.598 0.482 1.00 . A A . 6 GLU N 1 1 17 7042 1 1 6 GLU O O -6.279 -1.734 -1.229 1.00 . A A . 6 GLU O 1 1 17 7043 1 1 6 GLU OE1 O -10.583 -0.916 3.632 1.00 . A A . 6 GLU OE1 1 1 17 7044 1 1 6 GLU OE2 O -8.583 -0.945 4.437 1.00 . A A . 6 GLU OE2 1 1 17 7045 1 1 7 LYS C C -7.299 1.111 -2.156 1.00 . A A . 7 LYS C 1 1 17 7046 1 1 7 LYS CA C -7.969 -0.134 -2.669 1.00 . A A . 7 LYS CA 1 1 17 7047 1 1 7 LYS CB C -9.167 0.213 -3.536 1.00 . A A . 7 LYS CB 1 1 17 7048 1 1 7 LYS CD C -11.000 -0.621 -5.049 1.00 . A A . 7 LYS CD 1 1 17 7049 1 1 7 LYS CE C -12.141 -0.146 -4.159 1.00 . A A . 7 LYS CE 1 1 17 7050 1 1 7 LYS CG C -9.763 -0.989 -4.246 1.00 . A A . 7 LYS CG 1 1 17 7051 1 1 7 LYS H H -9.287 -0.995 -1.266 1.00 . A A . 7 LYS H 1 1 17 7052 1 1 7 LYS HA H -7.254 -0.682 -3.263 1.00 . A A . 7 LYS HA 1 1 17 7053 1 1 7 LYS HB2 H -9.924 0.659 -2.908 1.00 . A A . 7 LYS HB2 1 1 17 7054 1 1 7 LYS HB3 H -8.861 0.933 -4.281 1.00 . A A . 7 LYS HB3 1 1 17 7055 1 1 7 LYS HD2 H -10.736 0.179 -5.724 1.00 . A A . 7 LYS HD2 1 1 17 7056 1 1 7 LYS HD3 H -11.324 -1.477 -5.620 1.00 . A A . 7 LYS HD3 1 1 17 7057 1 1 7 LYS HE2 H -11.834 0.750 -3.639 1.00 . A A . 7 LYS HE2 1 1 17 7058 1 1 7 LYS HE3 H -12.994 0.085 -4.778 1.00 . A A . 7 LYS HE3 1 1 17 7059 1 1 7 LYS HG2 H -9.023 -1.401 -4.915 1.00 . A A . 7 LYS HG2 1 1 17 7060 1 1 7 LYS HG3 H -10.029 -1.731 -3.508 1.00 . A A . 7 LYS HG3 1 1 17 7061 1 1 7 LYS HZ1 H -11.772 -1.331 -2.476 1.00 . A A . 7 LYS HZ1 1 1 17 7062 1 1 7 LYS HZ2 H -12.747 -2.075 -3.610 1.00 . A A . 7 LYS HZ2 1 1 17 7063 1 1 7 LYS HZ3 H -13.374 -0.862 -2.631 1.00 . A A . 7 LYS HZ3 1 1 17 7064 1 1 7 LYS N N -8.351 -0.981 -1.564 1.00 . A A . 7 LYS N 1 1 17 7065 1 1 7 LYS NZ N -12.534 -1.160 -3.164 1.00 . A A . 7 LYS NZ 1 1 17 7066 1 1 7 LYS O O -7.633 1.611 -1.074 1.00 . A A . 7 LYS O 1 1 17 7067 1 1 8 CYS C C -5.818 3.963 -3.330 1.00 . A A . 8 CYS C 1 1 17 7068 1 1 8 CYS CA C -5.600 2.734 -2.483 1.00 . A A . 8 CYS CA 1 1 17 7069 1 1 8 CYS CB C -4.139 2.326 -2.536 1.00 . A A . 8 CYS CB 1 1 17 7070 1 1 8 CYS H H -6.226 1.236 -3.808 1.00 . A A . 8 CYS H 1 1 17 7071 1 1 8 CYS HA H -5.839 2.952 -1.454 1.00 . A A . 8 CYS HA 1 1 17 7072 1 1 8 CYS HB2 H -3.521 3.206 -2.426 1.00 . A A . 8 CYS HB2 1 1 17 7073 1 1 8 CYS HB3 H -3.930 1.642 -1.727 1.00 . A A . 8 CYS HB3 1 1 17 7074 1 1 8 CYS N N -6.394 1.623 -2.919 1.00 . A A . 8 CYS N 1 1 17 7075 1 1 8 CYS O O -5.907 3.883 -4.564 1.00 . A A . 8 CYS O 1 1 17 7076 1 1 8 CYS SG S -3.662 1.502 -4.098 1.00 . A A . 8 CYS SG 1 1 17 7077 1 1 9 SER C C -4.605 6.844 -3.661 1.00 . A A . 9 SER C 1 1 17 7078 1 1 9 SER CA C -6.022 6.359 -3.361 1.00 . A A . 9 SER CA 1 1 17 7079 1 1 9 SER CB C -6.771 7.370 -2.491 1.00 . A A . 9 SER CB 1 1 17 7080 1 1 9 SER H H -5.960 5.094 -1.687 1.00 . A A . 9 SER H 1 1 17 7081 1 1 9 SER HA H -6.557 6.204 -4.288 1.00 . A A . 9 SER HA 1 1 17 7082 1 1 9 SER HB2 H -6.187 7.583 -1.608 1.00 . A A . 9 SER HB2 1 1 17 7083 1 1 9 SER HB3 H -6.930 8.281 -3.048 1.00 . A A . 9 SER HB3 1 1 17 7084 1 1 9 SER HG H -7.901 6.364 -1.268 1.00 . A A . 9 SER HG 1 1 17 7085 1 1 9 SER N N -5.925 5.097 -2.673 1.00 . A A . 9 SER N 1 1 17 7086 1 1 9 SER O O -4.359 7.576 -4.631 1.00 . A A . 9 SER O 1 1 17 7087 1 1 9 SER OG O -8.035 6.847 -2.092 1.00 . A A . 9 SER OG 1 1 17 7088 1 1 10 ASP C C -1.501 5.709 -2.120 1.00 . A A . 10 ASP C 1 1 17 7089 1 1 10 ASP CA C -2.276 6.708 -2.963 1.00 . A A . 10 ASP CA 1 1 17 7090 1 1 10 ASP CB C -1.986 8.145 -2.477 1.00 . A A . 10 ASP CB 1 1 17 7091 1 1 10 ASP CG C -0.581 8.593 -2.815 1.00 . A A . 10 ASP CG 1 1 17 7092 1 1 10 ASP H H -3.927 5.780 -2.108 1.00 . A A . 10 ASP H 1 1 17 7093 1 1 10 ASP HA H -1.996 6.605 -4.000 1.00 . A A . 10 ASP HA 1 1 17 7094 1 1 10 ASP HB2 H -2.683 8.826 -2.943 1.00 . A A . 10 ASP HB2 1 1 17 7095 1 1 10 ASP HB3 H -2.111 8.186 -1.405 1.00 . A A . 10 ASP HB3 1 1 17 7096 1 1 10 ASP N N -3.676 6.388 -2.837 1.00 . A A . 10 ASP N 1 1 17 7097 1 1 10 ASP O O -2.104 4.958 -1.360 1.00 . A A . 10 ASP O 1 1 17 7098 1 1 10 ASP OD1 O 0.341 8.431 -1.979 1.00 . A A . 10 ASP OD1 1 1 17 7099 1 1 10 ASP OD2 O -0.357 9.061 -3.945 1.00 . A A . 10 ASP OD2 1 1 17 7100 1 1 11 ASP C C 0.620 5.201 -0.029 1.00 . A A . 11 ASP C 1 1 17 7101 1 1 11 ASP CA C 0.670 4.810 -1.482 1.00 . A A . 11 ASP CA 1 1 17 7102 1 1 11 ASP CB C 2.116 4.931 -1.965 1.00 . A A . 11 ASP CB 1 1 17 7103 1 1 11 ASP CG C 2.279 4.689 -3.438 1.00 . A A . 11 ASP CG 1 1 17 7104 1 1 11 ASP H H 0.214 6.343 -2.859 1.00 . A A . 11 ASP H 1 1 17 7105 1 1 11 ASP HA H 0.335 3.791 -1.605 1.00 . A A . 11 ASP HA 1 1 17 7106 1 1 11 ASP HB2 H 2.476 5.925 -1.747 1.00 . A A . 11 ASP HB2 1 1 17 7107 1 1 11 ASP HB3 H 2.724 4.215 -1.430 1.00 . A A . 11 ASP HB3 1 1 17 7108 1 1 11 ASP N N -0.198 5.701 -2.241 1.00 . A A . 11 ASP N 1 1 17 7109 1 1 11 ASP O O 0.545 4.361 0.861 1.00 . A A . 11 ASP O 1 1 17 7110 1 1 11 ASP OD1 O 2.260 5.673 -4.215 1.00 . A A . 11 ASP OD1 1 1 17 7111 1 1 11 ASP OD2 O 2.422 3.535 -3.857 1.00 . A A . 11 ASP OD2 1 1 17 7112 1 1 12 TYR C C -0.831 7.010 2.150 1.00 . A A . 12 TYR C 1 1 17 7113 1 1 12 TYR CA C 0.571 7.051 1.559 1.00 . A A . 12 TYR CA 1 1 17 7114 1 1 12 TYR CB C 1.149 8.464 1.579 1.00 . A A . 12 TYR CB 1 1 17 7115 1 1 12 TYR CD1 C 3.111 8.497 -0.026 1.00 . A A . 12 TYR CD1 1 1 17 7116 1 1 12 TYR CD2 C 3.562 8.581 2.305 1.00 . A A . 12 TYR CD2 1 1 17 7117 1 1 12 TYR CE1 C 4.463 8.545 -0.296 1.00 . A A . 12 TYR CE1 1 1 17 7118 1 1 12 TYR CE2 C 4.917 8.630 2.044 1.00 . A A . 12 TYR CE2 1 1 17 7119 1 1 12 TYR CG C 2.637 8.514 1.278 1.00 . A A . 12 TYR CG 1 1 17 7120 1 1 12 TYR CZ C 5.361 8.612 0.745 1.00 . A A . 12 TYR CZ 1 1 17 7121 1 1 12 TYR H H 0.579 7.131 -0.554 1.00 . A A . 12 TYR H 1 1 17 7122 1 1 12 TYR HA H 1.198 6.411 2.162 1.00 . A A . 12 TYR HA 1 1 17 7123 1 1 12 TYR HB2 H 0.639 9.064 0.840 1.00 . A A . 12 TYR HB2 1 1 17 7124 1 1 12 TYR HB3 H 0.990 8.894 2.557 1.00 . A A . 12 TYR HB3 1 1 17 7125 1 1 12 TYR HD1 H 2.401 8.444 -0.838 1.00 . A A . 12 TYR HD1 1 1 17 7126 1 1 12 TYR HD2 H 3.209 8.593 3.324 1.00 . A A . 12 TYR HD2 1 1 17 7127 1 1 12 TYR HE1 H 4.812 8.531 -1.318 1.00 . A A . 12 TYR HE1 1 1 17 7128 1 1 12 TYR HE2 H 5.624 8.682 2.859 1.00 . A A . 12 TYR HE2 1 1 17 7129 1 1 12 TYR HH H 6.826 9.244 -0.280 1.00 . A A . 12 TYR HH 1 1 17 7130 1 1 12 TYR N N 0.594 6.502 0.207 1.00 . A A . 12 TYR N 1 1 17 7131 1 1 12 TYR O O -1.069 7.423 3.285 1.00 . A A . 12 TYR O 1 1 17 7132 1 1 12 TYR OH O 6.707 8.666 0.482 1.00 . A A . 12 TYR OH 1 1 17 7133 1 1 13 ASP C C -3.236 4.900 2.396 1.00 . A A . 13 ASP C 1 1 17 7134 1 1 13 ASP CA C -3.125 6.294 1.786 1.00 . A A . 13 ASP CA 1 1 17 7135 1 1 13 ASP CB C -4.046 6.462 0.569 1.00 . A A . 13 ASP CB 1 1 17 7136 1 1 13 ASP CG C -5.497 6.156 0.820 1.00 . A A . 13 ASP CG 1 1 17 7137 1 1 13 ASP H H -1.497 6.261 0.452 1.00 . A A . 13 ASP H 1 1 17 7138 1 1 13 ASP HA H -3.375 7.024 2.539 1.00 . A A . 13 ASP HA 1 1 17 7139 1 1 13 ASP HB2 H -3.984 7.483 0.222 1.00 . A A . 13 ASP HB2 1 1 17 7140 1 1 13 ASP HB3 H -3.690 5.811 -0.217 1.00 . A A . 13 ASP HB3 1 1 17 7141 1 1 13 ASP N N -1.749 6.507 1.367 1.00 . A A . 13 ASP N 1 1 17 7142 1 1 13 ASP O O -4.149 4.593 3.163 1.00 . A A . 13 ASP O 1 1 17 7143 1 1 13 ASP OD1 O -6.054 5.292 0.116 1.00 . A A . 13 ASP OD1 1 1 17 7144 1 1 13 ASP OD2 O -6.121 6.796 1.686 1.00 . A A . 13 ASP OD2 1 1 17 7145 1 1 14 CYS C C -1.455 2.766 3.946 1.00 . A A . 14 CYS C 1 1 17 7146 1 1 14 CYS CA C -2.161 2.745 2.607 1.00 . A A . 14 CYS CA 1 1 17 7147 1 1 14 CYS CB C -1.392 1.863 1.642 1.00 . A A . 14 CYS CB 1 1 17 7148 1 1 14 CYS H H -1.548 4.395 1.483 1.00 . A A . 14 CYS H 1 1 17 7149 1 1 14 CYS HA H -3.159 2.349 2.729 1.00 . A A . 14 CYS HA 1 1 17 7150 1 1 14 CYS HB2 H -0.388 2.244 1.531 1.00 . A A . 14 CYS HB2 1 1 17 7151 1 1 14 CYS HB3 H -1.352 0.863 2.044 1.00 . A A . 14 CYS HB3 1 1 17 7152 1 1 14 CYS N N -2.254 4.085 2.087 1.00 . A A . 14 CYS N 1 1 17 7153 1 1 14 CYS O O -0.554 3.594 4.169 1.00 . A A . 14 CYS O 1 1 17 7154 1 1 14 CYS SG S -2.130 1.766 -0.003 1.00 . A A . 14 CYS SG 1 1 17 7155 1 1 15 CYS C C 0.180 1.386 6.146 1.00 . A A . 15 CYS C 1 1 17 7156 1 1 15 CYS CA C -1.297 1.782 6.164 1.00 . A A . 15 CYS CA 1 1 17 7157 1 1 15 CYS CB C -2.083 0.764 6.987 1.00 . A A . 15 CYS CB 1 1 17 7158 1 1 15 CYS H H -2.581 1.262 4.577 1.00 . A A . 15 CYS H 1 1 17 7159 1 1 15 CYS HA H -1.405 2.748 6.631 1.00 . A A . 15 CYS HA 1 1 17 7160 1 1 15 CYS HB2 H -1.985 -0.208 6.528 1.00 . A A . 15 CYS HB2 1 1 17 7161 1 1 15 CYS HB3 H -1.671 0.728 7.985 1.00 . A A . 15 CYS HB3 1 1 17 7162 1 1 15 CYS N N -1.857 1.882 4.824 1.00 . A A . 15 CYS N 1 1 17 7163 1 1 15 CYS O O 0.654 0.747 5.194 1.00 . A A . 15 CYS O 1 1 17 7164 1 1 15 CYS SG S -3.865 1.118 7.131 1.00 . A A . 15 CYS SG 1 1 17 7165 1 1 16 GLY C C 3.190 1.711 6.219 1.00 . A A . 16 GLY C 1 1 17 7166 1 1 16 GLY CA C 2.277 1.444 7.391 1.00 . A A . 16 GLY CA 1 1 17 7167 1 1 16 GLY H H 0.470 2.448 7.801 1.00 . A A . 16 GLY H 1 1 17 7168 1 1 16 GLY HA2 H 2.654 1.983 8.248 1.00 . A A . 16 GLY HA2 1 1 17 7169 1 1 16 GLY HA3 H 2.299 0.388 7.614 1.00 . A A . 16 GLY HA3 1 1 17 7170 1 1 16 GLY N N 0.896 1.825 7.172 1.00 . A A . 16 GLY N 1 1 17 7171 1 1 16 GLY O O 3.255 2.839 5.711 1.00 . A A . 16 GLY O 1 1 17 7172 1 1 17 SER C C 4.222 0.239 3.376 1.00 . A A . 17 SER C 1 1 17 7173 1 1 17 SER CA C 4.801 0.775 4.692 1.00 . A A . 17 SER CA 1 1 17 7174 1 1 17 SER CB C 6.069 0.019 5.085 1.00 . A A . 17 SER CB 1 1 17 7175 1 1 17 SER H H 3.700 -0.217 6.147 1.00 . A A . 17 SER H 1 1 17 7176 1 1 17 SER HA H 5.052 1.819 4.570 1.00 . A A . 17 SER HA 1 1 17 7177 1 1 17 SER HB2 H 6.738 -0.016 4.239 1.00 . A A . 17 SER HB2 1 1 17 7178 1 1 17 SER HB3 H 6.552 0.524 5.908 1.00 . A A . 17 SER HB3 1 1 17 7179 1 1 17 SER HG H 5.849 -1.386 6.439 1.00 . A A . 17 SER HG 1 1 17 7180 1 1 17 SER N N 3.849 0.675 5.763 1.00 . A A . 17 SER N 1 1 17 7181 1 1 17 SER O O 4.939 0.099 2.384 1.00 . A A . 17 SER O 1 1 17 7182 1 1 17 SER OG O 5.765 -1.318 5.480 1.00 . A A . 17 SER OG 1 1 17 7183 1 1 18 LEU C C 2.230 0.497 1.096 1.00 . A A . 18 LEU C 1 1 17 7184 1 1 18 LEU CA C 2.240 -0.559 2.184 1.00 . A A . 18 LEU CA 1 1 17 7185 1 1 18 LEU CB C 0.794 -0.959 2.498 1.00 . A A . 18 LEU CB 1 1 17 7186 1 1 18 LEU CD1 C -0.904 -2.269 3.764 1.00 . A A . 18 LEU CD1 1 1 17 7187 1 1 18 LEU CD2 C 1.234 -3.349 3.114 1.00 . A A . 18 LEU CD2 1 1 17 7188 1 1 18 LEU CG C 0.577 -2.053 3.543 1.00 . A A . 18 LEU CG 1 1 17 7189 1 1 18 LEU H H 2.392 0.100 4.193 1.00 . A A . 18 LEU H 1 1 17 7190 1 1 18 LEU HA H 2.778 -1.426 1.832 1.00 . A A . 18 LEU HA 1 1 17 7191 1 1 18 LEU HB2 H 0.288 -0.074 2.852 1.00 . A A . 18 LEU HB2 1 1 17 7192 1 1 18 LEU HB3 H 0.326 -1.273 1.577 1.00 . A A . 18 LEU HB3 1 1 17 7193 1 1 18 LEU HD11 H -1.354 -1.354 4.119 1.00 . A A . 18 LEU HD11 1 1 17 7194 1 1 18 LEU HD12 H -1.052 -3.054 4.491 1.00 . A A . 18 LEU HD12 1 1 17 7195 1 1 18 LEU HD13 H -1.361 -2.554 2.827 1.00 . A A . 18 LEU HD13 1 1 17 7196 1 1 18 LEU HD21 H 2.301 -3.202 3.034 1.00 . A A . 18 LEU HD21 1 1 17 7197 1 1 18 LEU HD22 H 0.841 -3.648 2.153 1.00 . A A . 18 LEU HD22 1 1 17 7198 1 1 18 LEU HD23 H 1.027 -4.118 3.842 1.00 . A A . 18 LEU HD23 1 1 17 7199 1 1 18 LEU HG H 1.014 -1.739 4.480 1.00 . A A . 18 LEU HG 1 1 17 7200 1 1 18 LEU N N 2.916 -0.046 3.375 1.00 . A A . 18 LEU N 1 1 17 7201 1 1 18 LEU O O 2.193 1.699 1.391 1.00 . A A . 18 LEU O 1 1 17 7202 1 1 19 CYS C C 1.034 0.658 -2.128 1.00 . A A . 19 CYS C 1 1 17 7203 1 1 19 CYS CA C 2.241 0.942 -1.256 1.00 . A A . 19 CYS CA 1 1 17 7204 1 1 19 CYS CB C 3.550 0.783 -2.036 1.00 . A A . 19 CYS CB 1 1 17 7205 1 1 19 CYS H H 2.188 -0.904 -0.306 1.00 . A A . 19 CYS H 1 1 17 7206 1 1 19 CYS HA H 2.171 1.953 -0.885 1.00 . A A . 19 CYS HA 1 1 17 7207 1 1 19 CYS HB2 H 3.653 -0.245 -2.353 1.00 . A A . 19 CYS HB2 1 1 17 7208 1 1 19 CYS HB3 H 3.519 1.423 -2.906 1.00 . A A . 19 CYS HB3 1 1 17 7209 1 1 19 CYS N N 2.225 0.063 -0.125 1.00 . A A . 19 CYS N 1 1 17 7210 1 1 19 CYS O O 0.318 -0.337 -1.912 1.00 . A A . 19 CYS O 1 1 17 7211 1 1 19 CYS SG S 5.038 1.222 -1.073 1.00 . A A . 19 CYS SG 1 1 17 7212 1 1 20 CYS C C -0.080 0.721 -5.224 1.00 . A A . 20 CYS C 1 1 17 7213 1 1 20 CYS CA C -0.373 1.411 -3.904 1.00 . A A . 20 CYS CA 1 1 17 7214 1 1 20 CYS CB C -0.942 2.807 -4.144 1.00 . A A . 20 CYS CB 1 1 17 7215 1 1 20 CYS H H 1.450 2.215 -3.309 1.00 . A A . 20 CYS H 1 1 17 7216 1 1 20 CYS HA H -1.109 0.837 -3.363 1.00 . A A . 20 CYS HA 1 1 17 7217 1 1 20 CYS HB2 H -1.122 3.279 -3.190 1.00 . A A . 20 CYS HB2 1 1 17 7218 1 1 20 CYS HB3 H -0.218 3.391 -4.692 1.00 . A A . 20 CYS HB3 1 1 17 7219 1 1 20 CYS N N 0.801 1.501 -3.093 1.00 . A A . 20 CYS N 1 1 17 7220 1 1 20 CYS O O 0.760 1.173 -6.018 1.00 . A A . 20 CYS O 1 1 17 7221 1 1 20 CYS SG S -2.509 2.846 -5.067 1.00 . A A . 20 CYS SG 1 1 17 7222 1 1 21 VAL C C -2.091 -1.457 -7.097 1.00 . A A . 21 VAL C 1 1 17 7223 1 1 21 VAL CA C -0.661 -1.143 -6.671 1.00 . A A . 21 VAL CA 1 1 17 7224 1 1 21 VAL CB C 0.179 -2.466 -6.503 1.00 . A A . 21 VAL CB 1 1 17 7225 1 1 21 VAL CG1 C 1.646 -2.156 -6.253 1.00 . A A . 21 VAL CG1 1 1 17 7226 1 1 21 VAL CG2 C -0.355 -3.341 -5.372 1.00 . A A . 21 VAL CG2 1 1 17 7227 1 1 21 VAL H H -1.309 -0.736 -4.710 1.00 . A A . 21 VAL H 1 1 17 7228 1 1 21 VAL HA H -0.205 -0.508 -7.418 1.00 . A A . 21 VAL HA 1 1 17 7229 1 1 21 VAL HB H 0.109 -3.018 -7.427 1.00 . A A . 21 VAL HB 1 1 17 7230 1 1 21 VAL HG11 H 2.044 -1.591 -7.083 1.00 . A A . 21 VAL HG11 1 1 17 7231 1 1 21 VAL HG12 H 2.197 -3.079 -6.148 1.00 . A A . 21 VAL HG12 1 1 17 7232 1 1 21 VAL HG13 H 1.739 -1.577 -5.346 1.00 . A A . 21 VAL HG13 1 1 17 7233 1 1 21 VAL HG21 H -1.380 -3.610 -5.580 1.00 . A A . 21 VAL HG21 1 1 17 7234 1 1 21 VAL HG22 H -0.308 -2.793 -4.443 1.00 . A A . 21 VAL HG22 1 1 17 7235 1 1 21 VAL HG23 H 0.245 -4.235 -5.295 1.00 . A A . 21 VAL HG23 1 1 17 7236 1 1 21 VAL N N -0.736 -0.387 -5.432 1.00 . A A . 21 VAL N 1 1 17 7237 1 1 21 VAL O O -2.405 -2.521 -7.619 1.00 . A A . 21 VAL O 1 1 17 7238 1 1 22 GLY C C -5.003 -1.060 -5.761 1.00 . A A . 22 GLY C 1 1 17 7239 1 1 22 GLY CA C -4.384 -0.689 -7.070 1.00 . A A . 22 GLY CA 1 1 17 7240 1 1 22 GLY H H -2.645 0.343 -6.470 1.00 . A A . 22 GLY H 1 1 17 7241 1 1 22 GLY HA2 H -4.812 0.233 -7.434 1.00 . A A . 22 GLY HA2 1 1 17 7242 1 1 22 GLY HA3 H -4.548 -1.487 -7.779 1.00 . A A . 22 GLY HA3 1 1 17 7243 1 1 22 GLY N N -2.964 -0.506 -6.842 1.00 . A A . 22 GLY N 1 1 17 7244 1 1 22 GLY O O -6.026 -0.507 -5.330 1.00 . A A . 22 GLY O 1 1 17 7245 1 1 23 ILE C C -3.428 -2.018 -2.935 1.00 . A A . 23 ILE C 1 1 17 7246 1 1 23 ILE CA C -4.637 -2.364 -3.782 1.00 . A A . 23 ILE CA 1 1 17 7247 1 1 23 ILE CB C -4.939 -3.888 -3.652 1.00 . A A . 23 ILE CB 1 1 17 7248 1 1 23 ILE CD1 C -3.931 -6.231 -3.991 1.00 . A A . 23 ILE CD1 1 1 17 7249 1 1 23 ILE CG1 C -3.756 -4.736 -4.168 1.00 . A A . 23 ILE CG1 1 1 17 7250 1 1 23 ILE CG2 C -6.229 -4.239 -4.383 1.00 . A A . 23 ILE CG2 1 1 17 7251 1 1 23 ILE H H -3.585 -2.394 -5.585 1.00 . A A . 23 ILE H 1 1 17 7252 1 1 23 ILE HA H -5.487 -1.793 -3.438 1.00 . A A . 23 ILE HA 1 1 17 7253 1 1 23 ILE HB H -5.092 -4.101 -2.603 1.00 . A A . 23 ILE HB 1 1 17 7254 1 1 23 ILE HD11 H -4.813 -6.555 -4.525 1.00 . A A . 23 ILE HD11 1 1 17 7255 1 1 23 ILE HD12 H -4.042 -6.459 -2.941 1.00 . A A . 23 ILE HD12 1 1 17 7256 1 1 23 ILE HD13 H -3.065 -6.746 -4.381 1.00 . A A . 23 ILE HD13 1 1 17 7257 1 1 23 ILE HG12 H -3.623 -4.547 -5.223 1.00 . A A . 23 ILE HG12 1 1 17 7258 1 1 23 ILE HG13 H -2.859 -4.439 -3.645 1.00 . A A . 23 ILE HG13 1 1 17 7259 1 1 23 ILE HG21 H -6.429 -5.295 -4.281 1.00 . A A . 23 ILE HG21 1 1 17 7260 1 1 23 ILE HG22 H -6.123 -3.991 -5.429 1.00 . A A . 23 ILE HG22 1 1 17 7261 1 1 23 ILE HG23 H -7.047 -3.672 -3.962 1.00 . A A . 23 ILE HG23 1 1 17 7262 1 1 23 ILE N N -4.340 -1.975 -5.118 1.00 . A A . 23 ILE N 1 1 17 7263 1 1 23 ILE O O -2.333 -1.786 -3.476 1.00 . A A . 23 ILE O 1 1 17 7264 1 1 24 CYS C C -1.804 -2.997 -0.506 1.00 . A A . 24 CYS C 1 1 17 7265 1 1 24 CYS CA C -2.523 -1.700 -0.767 1.00 . A A . 24 CYS CA 1 1 17 7266 1 1 24 CYS CB C -3.005 -1.074 0.525 1.00 . A A . 24 CYS CB 1 1 17 7267 1 1 24 CYS H H -4.531 -1.982 -1.310 1.00 . A A . 24 CYS H 1 1 17 7268 1 1 24 CYS HA H -1.840 -1.020 -1.254 1.00 . A A . 24 CYS HA 1 1 17 7269 1 1 24 CYS HB2 H -3.743 -1.722 0.976 1.00 . A A . 24 CYS HB2 1 1 17 7270 1 1 24 CYS HB3 H -2.167 -0.971 1.199 1.00 . A A . 24 CYS HB3 1 1 17 7271 1 1 24 CYS N N -3.614 -1.928 -1.664 1.00 . A A . 24 CYS N 1 1 17 7272 1 1 24 CYS O O -2.395 -3.968 0.011 1.00 . A A . 24 CYS O 1 1 17 7273 1 1 24 CYS SG S -3.740 0.568 0.292 1.00 . A A . 24 CYS SG 1 1 17 7274 1 1 25 ALA C C 1.694 -3.722 -0.513 1.00 . A A . 25 ALA C 1 1 17 7275 1 1 25 ALA CA C 0.279 -4.185 -0.748 1.00 . A A . 25 ALA CA 1 1 17 7276 1 1 25 ALA CB C 0.204 -5.054 -1.995 1.00 . A A . 25 ALA CB 1 1 17 7277 1 1 25 ALA H H -0.156 -2.222 -1.290 1.00 . A A . 25 ALA H 1 1 17 7278 1 1 25 ALA HA H -0.068 -4.755 0.102 1.00 . A A . 25 ALA HA 1 1 17 7279 1 1 25 ALA HB1 H 0.845 -5.914 -1.872 1.00 . A A . 25 ALA HB1 1 1 17 7280 1 1 25 ALA HB2 H 0.531 -4.481 -2.851 1.00 . A A . 25 ALA HB2 1 1 17 7281 1 1 25 ALA HB3 H -0.813 -5.380 -2.148 1.00 . A A . 25 ALA HB3 1 1 17 7282 1 1 25 ALA N N -0.557 -3.029 -0.893 1.00 . A A . 25 ALA N 1 1 17 7283 1 1 25 ALA O O 2.019 -2.564 -0.776 1.00 . A A . 25 ALA O 1 1 17 7284 1 1 26 LYS C C 4.747 -4.603 -0.935 1.00 . A A . 26 LYS C 1 1 17 7285 1 1 26 LYS CA C 3.882 -4.237 0.258 1.00 . A A . 26 LYS CA 1 1 17 7286 1 1 26 LYS CB C 4.368 -4.939 1.535 1.00 . A A . 26 LYS CB 1 1 17 7287 1 1 26 LYS CD C 5.856 -3.045 2.275 1.00 . A A . 26 LYS CD 1 1 17 7288 1 1 26 LYS CE C 7.235 -2.647 2.777 1.00 . A A . 26 LYS CE 1 1 17 7289 1 1 26 LYS CG C 5.765 -4.537 1.992 1.00 . A A . 26 LYS CG 1 1 17 7290 1 1 26 LYS H H 2.211 -5.497 0.164 1.00 . A A . 26 LYS H 1 1 17 7291 1 1 26 LYS HA H 3.921 -3.168 0.406 1.00 . A A . 26 LYS HA 1 1 17 7292 1 1 26 LYS HB2 H 3.678 -4.722 2.336 1.00 . A A . 26 LYS HB2 1 1 17 7293 1 1 26 LYS HB3 H 4.365 -6.005 1.359 1.00 . A A . 26 LYS HB3 1 1 17 7294 1 1 26 LYS HD2 H 5.655 -2.500 1.365 1.00 . A A . 26 LYS HD2 1 1 17 7295 1 1 26 LYS HD3 H 5.121 -2.782 3.022 1.00 . A A . 26 LYS HD3 1 1 17 7296 1 1 26 LYS HE2 H 7.965 -2.974 2.053 1.00 . A A . 26 LYS HE2 1 1 17 7297 1 1 26 LYS HE3 H 7.278 -1.572 2.861 1.00 . A A . 26 LYS HE3 1 1 17 7298 1 1 26 LYS HG2 H 6.004 -5.074 2.897 1.00 . A A . 26 LYS HG2 1 1 17 7299 1 1 26 LYS HG3 H 6.473 -4.794 1.219 1.00 . A A . 26 LYS HG3 1 1 17 7300 1 1 26 LYS HZ1 H 6.875 -2.930 4.816 1.00 . A A . 26 LYS HZ1 1 1 17 7301 1 1 26 LYS HZ2 H 8.503 -2.972 4.408 1.00 . A A . 26 LYS HZ2 1 1 17 7302 1 1 26 LYS HZ3 H 7.522 -4.293 4.067 1.00 . A A . 26 LYS HZ3 1 1 17 7303 1 1 26 LYS N N 2.519 -4.584 -0.016 1.00 . A A . 26 LYS N 1 1 17 7304 1 1 26 LYS NZ N 7.552 -3.254 4.093 1.00 . A A . 26 LYS NZ 1 1 17 7305 1 1 26 LYS O O 4.844 -5.772 -1.309 1.00 . A A . 26 LYS O 1 1 17 7306 1 1 27 THR C C 7.572 -4.257 -2.235 1.00 . A A . 27 THR C 1 1 17 7307 1 1 27 THR CA C 6.192 -3.782 -2.679 1.00 . A A . 27 THR CA 1 1 17 7308 1 1 27 THR CB C 6.306 -2.448 -3.424 1.00 . A A . 27 THR CB 1 1 17 7309 1 1 27 THR CG2 C 5.028 -2.148 -4.187 1.00 . A A . 27 THR CG2 1 1 17 7310 1 1 27 THR H H 5.220 -2.682 -1.232 1.00 . A A . 27 THR H 1 1 17 7311 1 1 27 THR HA H 5.745 -4.508 -3.342 1.00 . A A . 27 THR HA 1 1 17 7312 1 1 27 THR HB H 7.134 -2.504 -4.115 1.00 . A A . 27 THR HB 1 1 17 7313 1 1 27 THR HG1 H 7.415 -1.009 -2.671 1.00 . A A . 27 THR HG1 1 1 17 7314 1 1 27 THR HG21 H 4.197 -2.115 -3.498 1.00 . A A . 27 THR HG21 1 1 17 7315 1 1 27 THR HG22 H 4.855 -2.918 -4.924 1.00 . A A . 27 THR HG22 1 1 17 7316 1 1 27 THR HG23 H 5.124 -1.192 -4.678 1.00 . A A . 27 THR HG23 1 1 17 7317 1 1 27 THR N N 5.334 -3.606 -1.541 1.00 . A A . 27 THR N 1 1 17 7318 1 1 27 THR O O 7.919 -4.123 -1.049 1.00 . A A . 27 THR O 1 1 17 7319 1 1 27 THR OG1 O 6.556 -1.401 -2.468 1.00 . A A . 27 THR OG1 1 1 17 7320 1 1 28 ILE C C 10.521 -4.108 -2.355 1.00 . A A . 28 ILE C 1 1 17 7321 1 1 28 ILE CA C 9.702 -5.288 -2.867 1.00 . A A . 28 ILE CA 1 1 17 7322 1 1 28 ILE CB C 10.399 -5.889 -4.121 1.00 . A A . 28 ILE CB 1 1 17 7323 1 1 28 ILE CD1 C 10.133 -7.610 -5.998 1.00 . A A . 28 ILE CD1 1 1 17 7324 1 1 28 ILE CG1 C 9.550 -7.018 -4.726 1.00 . A A . 28 ILE CG1 1 1 17 7325 1 1 28 ILE CG2 C 11.790 -6.417 -3.751 1.00 . A A . 28 ILE CG2 1 1 17 7326 1 1 28 ILE H H 7.984 -4.950 -4.068 1.00 . A A . 28 ILE H 1 1 17 7327 1 1 28 ILE HA H 9.641 -6.039 -2.092 1.00 . A A . 28 ILE HA 1 1 17 7328 1 1 28 ILE HB H 10.518 -5.104 -4.851 1.00 . A A . 28 ILE HB 1 1 17 7329 1 1 28 ILE HD11 H 10.201 -6.842 -6.755 1.00 . A A . 28 ILE HD11 1 1 17 7330 1 1 28 ILE HD12 H 9.501 -8.410 -6.352 1.00 . A A . 28 ILE HD12 1 1 17 7331 1 1 28 ILE HD13 H 11.120 -7.996 -5.793 1.00 . A A . 28 ILE HD13 1 1 17 7332 1 1 28 ILE HG12 H 9.460 -7.817 -4.005 1.00 . A A . 28 ILE HG12 1 1 17 7333 1 1 28 ILE HG13 H 8.566 -6.636 -4.956 1.00 . A A . 28 ILE HG13 1 1 17 7334 1 1 28 ILE HG21 H 12.255 -6.847 -4.626 1.00 . A A . 28 ILE HG21 1 1 17 7335 1 1 28 ILE HG22 H 11.699 -7.170 -2.984 1.00 . A A . 28 ILE HG22 1 1 17 7336 1 1 28 ILE HG23 H 12.397 -5.601 -3.386 1.00 . A A . 28 ILE HG23 1 1 17 7337 1 1 28 ILE N N 8.344 -4.827 -3.163 1.00 . A A . 28 ILE N 1 1 17 7338 1 1 28 ILE O O 11.122 -4.161 -1.285 1.00 . A A . 28 ILE O 1 1 17 7339 1 1 29 ALA C C 10.100 -0.898 -2.186 1.00 . A A . 29 ALA C 1 1 17 7340 1 1 29 ALA CA C 11.166 -1.841 -2.714 1.00 . A A . 29 ALA CA 1 1 17 7341 1 1 29 ALA CB C 11.914 -1.213 -3.878 1.00 . A A . 29 ALA CB 1 1 17 7342 1 1 29 ALA H H 10.064 -3.084 -3.981 1.00 . A A . 29 ALA H 1 1 17 7343 1 1 29 ALA HA H 11.866 -2.079 -1.926 1.00 . A A . 29 ALA HA 1 1 17 7344 1 1 29 ALA HB1 H 12.402 -0.309 -3.544 1.00 . A A . 29 ALA HB1 1 1 17 7345 1 1 29 ALA HB2 H 11.216 -0.973 -4.664 1.00 . A A . 29 ALA HB2 1 1 17 7346 1 1 29 ALA HB3 H 12.655 -1.906 -4.249 1.00 . A A . 29 ALA HB3 1 1 17 7347 1 1 29 ALA N N 10.524 -3.051 -3.115 1.00 . A A . 29 ALA N 1 1 17 7348 1 1 29 ALA O O 9.179 -0.517 -2.930 1.00 . A A . 29 ALA O 1 1 17 7349 1 1 30 PRO C C 9.162 1.711 -0.948 1.00 . A A . 30 PRO C 1 1 17 7350 1 1 30 PRO CA C 9.186 0.343 -0.269 1.00 . A A . 30 PRO CA 1 1 17 7351 1 1 30 PRO CB C 9.692 0.485 1.163 1.00 . A A . 30 PRO CB 1 1 17 7352 1 1 30 PRO CD C 11.135 -1.070 0.085 1.00 . A A . 30 PRO CD 1 1 17 7353 1 1 30 PRO CG C 10.516 -0.725 1.402 1.00 . A A . 30 PRO CG 1 1 17 7354 1 1 30 PRO HA H 8.191 -0.076 -0.267 1.00 . A A . 30 PRO HA 1 1 17 7355 1 1 30 PRO HB2 H 10.274 1.390 1.256 1.00 . A A . 30 PRO HB2 1 1 17 7356 1 1 30 PRO HB3 H 8.846 0.520 1.832 1.00 . A A . 30 PRO HB3 1 1 17 7357 1 1 30 PRO HD2 H 12.089 -0.581 -0.032 1.00 . A A . 30 PRO HD2 1 1 17 7358 1 1 30 PRO HD3 H 11.245 -2.141 0.000 1.00 . A A . 30 PRO HD3 1 1 17 7359 1 1 30 PRO HG2 H 11.280 -0.514 2.134 1.00 . A A . 30 PRO HG2 1 1 17 7360 1 1 30 PRO HG3 H 9.882 -1.531 1.740 1.00 . A A . 30 PRO HG3 1 1 17 7361 1 1 30 PRO N N 10.149 -0.567 -0.892 1.00 . A A . 30 PRO N 1 1 17 7362 1 1 30 PRO O O 10.187 2.202 -1.445 1.00 . A A . 30 PRO O 1 1 17 7363 1 1 31 CYS C C 7.855 4.681 -0.516 1.00 . A A . 31 CYS C 1 1 17 7364 1 1 31 CYS CA C 7.815 3.607 -1.595 1.00 . A A . 31 CYS CA 1 1 17 7365 1 1 31 CYS CB C 6.460 3.633 -2.288 1.00 . A A . 31 CYS CB 1 1 17 7366 1 1 31 CYS H H 7.203 1.855 -0.643 1.00 . A A . 31 CYS H 1 1 17 7367 1 1 31 CYS HA H 8.589 3.784 -2.325 1.00 . A A . 31 CYS HA 1 1 17 7368 1 1 31 CYS HB2 H 6.288 4.615 -2.703 1.00 . A A . 31 CYS HB2 1 1 17 7369 1 1 31 CYS HB3 H 6.453 2.898 -3.079 1.00 . A A . 31 CYS HB3 1 1 17 7370 1 1 31 CYS N N 8.005 2.301 -0.995 1.00 . A A . 31 CYS N 1 1 17 7371 1 1 31 CYS O O 7.704 5.867 -0.792 1.00 . A A . 31 CYS O 1 1 17 7372 1 1 31 CYS SG S 5.075 3.250 -1.158 1.00 . A A . 31 CYS SG 1 1 17 7373 1 1 32 LYS C C 9.412 5.116 2.503 1.00 . A A . 32 LYS C 1 1 17 7374 1 1 32 LYS CA C 8.067 5.132 1.836 1.00 . A A . 32 LYS CA 1 1 17 7375 1 1 32 LYS CB C 6.971 4.714 2.801 1.00 . A A . 32 LYS CB 1 1 17 7376 1 1 32 LYS CD C 4.561 4.197 3.073 1.00 . A A . 32 LYS CD 1 1 17 7377 1 1 32 LYS CE C 3.170 4.540 2.627 1.00 . A A . 32 LYS CE 1 1 17 7378 1 1 32 LYS CG C 5.582 4.925 2.252 1.00 . A A . 32 LYS CG 1 1 17 7379 1 1 32 LYS H H 8.277 3.312 0.857 1.00 . A A . 32 LYS H 1 1 17 7380 1 1 32 LYS HA H 7.853 6.128 1.479 1.00 . A A . 32 LYS HA 1 1 17 7381 1 1 32 LYS HB2 H 7.087 3.664 3.024 1.00 . A A . 32 LYS HB2 1 1 17 7382 1 1 32 LYS HB3 H 7.067 5.285 3.713 1.00 . A A . 32 LYS HB3 1 1 17 7383 1 1 32 LYS HD2 H 4.712 3.134 2.952 1.00 . A A . 32 LYS HD2 1 1 17 7384 1 1 32 LYS HD3 H 4.680 4.468 4.113 1.00 . A A . 32 LYS HD3 1 1 17 7385 1 1 32 LYS HE2 H 2.978 5.574 2.871 1.00 . A A . 32 LYS HE2 1 1 17 7386 1 1 32 LYS HE3 H 3.104 4.407 1.557 1.00 . A A . 32 LYS HE3 1 1 17 7387 1 1 32 LYS HG2 H 5.355 5.980 2.261 1.00 . A A . 32 LYS HG2 1 1 17 7388 1 1 32 LYS HG3 H 5.550 4.557 1.237 1.00 . A A . 32 LYS HG3 1 1 17 7389 1 1 32 LYS HZ1 H 2.355 3.606 4.302 1.00 . A A . 32 LYS HZ1 1 1 17 7390 1 1 32 LYS HZ2 H 2.150 2.754 2.825 1.00 . A A . 32 LYS HZ2 1 1 17 7391 1 1 32 LYS HZ3 H 1.218 4.109 3.166 1.00 . A A . 32 LYS HZ3 1 1 17 7392 1 1 32 LYS N N 8.075 4.256 0.703 1.00 . A A . 32 LYS N 1 1 17 7393 1 1 32 LYS NZ N 2.164 3.690 3.281 1.00 . A A . 32 LYS NZ 1 1 17 7394 1 1 32 LYS O O 9.674 4.205 3.307 1.00 . A A . 32 LYS O 1 1 17 7395 1 1 32 LYS OXT O 10.236 6.010 2.202 1.00 . A A . 32 LYS OXT 1 1 18 7396 1 1 1 CYS C C -6.065 3.246 5.590 1.00 . A A . 1 CYS C 1 1 18 7397 1 1 1 CYS CA C -5.402 4.583 5.914 1.00 . A A . 1 CYS CA 1 1 18 7398 1 1 1 CYS CB C -3.958 4.373 6.394 1.00 . A A . 1 CYS CB 1 1 18 7399 1 1 1 CYS H1 H -6.206 4.704 7.787 1.00 . A A . 1 CYS H1 1 1 18 7400 1 1 1 CYS H2 H -7.132 5.458 6.591 1.00 . A A . 1 CYS H2 1 1 18 7401 1 1 1 CYS H3 H -5.701 6.190 7.157 1.00 . A A . 1 CYS H3 1 1 18 7402 1 1 1 CYS HA H -5.391 5.182 5.016 1.00 . A A . 1 CYS HA 1 1 18 7403 1 1 1 CYS HB2 H -3.412 3.834 5.634 1.00 . A A . 1 CYS HB2 1 1 18 7404 1 1 1 CYS HB3 H -3.488 5.332 6.547 1.00 . A A . 1 CYS HB3 1 1 18 7405 1 1 1 CYS N N -6.164 5.288 6.928 1.00 . A A . 1 CYS N 1 1 18 7406 1 1 1 CYS O O -6.834 2.711 6.397 1.00 . A A . 1 CYS O 1 1 18 7407 1 1 1 CYS SG S -3.794 3.425 7.951 1.00 . A A . 1 CYS SG 1 1 18 7408 1 1 2 ALA C C -5.319 0.351 4.261 1.00 . A A . 2 ALA C 1 1 18 7409 1 1 2 ALA CA C -6.320 1.465 3.970 1.00 . A A . 2 ALA CA 1 1 18 7410 1 1 2 ALA CB C -6.628 1.532 2.484 1.00 . A A . 2 ALA CB 1 1 18 7411 1 1 2 ALA H H -5.216 3.234 3.795 1.00 . A A . 2 ALA H 1 1 18 7412 1 1 2 ALA HA H -7.239 1.269 4.504 1.00 . A A . 2 ALA HA 1 1 18 7413 1 1 2 ALA HB1 H -7.328 2.334 2.297 1.00 . A A . 2 ALA HB1 1 1 18 7414 1 1 2 ALA HB2 H -7.062 0.596 2.163 1.00 . A A . 2 ALA HB2 1 1 18 7415 1 1 2 ALA HB3 H -5.716 1.715 1.935 1.00 . A A . 2 ALA HB3 1 1 18 7416 1 1 2 ALA N N -5.796 2.731 4.413 1.00 . A A . 2 ALA N 1 1 18 7417 1 1 2 ALA O O -4.095 0.579 4.233 1.00 . A A . 2 ALA O 1 1 18 7418 1 1 3 VAL C C -4.665 -2.772 3.618 1.00 . A A . 3 VAL C 1 1 18 7419 1 1 3 VAL CA C -4.980 -1.973 4.877 1.00 . A A . 3 VAL CA 1 1 18 7420 1 1 3 VAL CB C -5.654 -2.915 5.915 1.00 . A A . 3 VAL CB 1 1 18 7421 1 1 3 VAL CG1 C -5.891 -2.197 7.227 1.00 . A A . 3 VAL CG1 1 1 18 7422 1 1 3 VAL CG2 C -6.961 -3.486 5.369 1.00 . A A . 3 VAL CG2 1 1 18 7423 1 1 3 VAL H H -6.801 -0.945 4.541 1.00 . A A . 3 VAL H 1 1 18 7424 1 1 3 VAL HA H -4.056 -1.601 5.295 1.00 . A A . 3 VAL HA 1 1 18 7425 1 1 3 VAL HB H -4.981 -3.738 6.107 1.00 . A A . 3 VAL HB 1 1 18 7426 1 1 3 VAL HG11 H -6.556 -1.363 7.060 1.00 . A A . 3 VAL HG11 1 1 18 7427 1 1 3 VAL HG12 H -4.953 -1.832 7.616 1.00 . A A . 3 VAL HG12 1 1 18 7428 1 1 3 VAL HG13 H -6.338 -2.878 7.936 1.00 . A A . 3 VAL HG13 1 1 18 7429 1 1 3 VAL HG21 H -7.620 -2.670 5.112 1.00 . A A . 3 VAL HG21 1 1 18 7430 1 1 3 VAL HG22 H -7.432 -4.110 6.112 1.00 . A A . 3 VAL HG22 1 1 18 7431 1 1 3 VAL HG23 H -6.755 -4.064 4.479 1.00 . A A . 3 VAL HG23 1 1 18 7432 1 1 3 VAL N N -5.822 -0.824 4.558 1.00 . A A . 3 VAL N 1 1 18 7433 1 1 3 VAL O O -5.091 -2.404 2.513 1.00 . A A . 3 VAL O 1 1 18 7434 1 1 4 THR C C -4.874 -5.289 2.054 1.00 . A A . 4 THR C 1 1 18 7435 1 1 4 THR CA C -3.585 -4.742 2.694 1.00 . A A . 4 THR CA 1 1 18 7436 1 1 4 THR CB C -2.700 -5.927 3.192 1.00 . A A . 4 THR CB 1 1 18 7437 1 1 4 THR CG2 C -2.272 -6.823 2.034 1.00 . A A . 4 THR CG2 1 1 18 7438 1 1 4 THR H H -3.584 -4.076 4.680 1.00 . A A . 4 THR H 1 1 18 7439 1 1 4 THR HA H -3.034 -4.177 1.958 1.00 . A A . 4 THR HA 1 1 18 7440 1 1 4 THR HB H -3.272 -6.508 3.900 1.00 . A A . 4 THR HB 1 1 18 7441 1 1 4 THR HG1 H -1.719 -5.339 4.789 1.00 . A A . 4 THR HG1 1 1 18 7442 1 1 4 THR HG21 H -1.661 -7.632 2.407 1.00 . A A . 4 THR HG21 1 1 18 7443 1 1 4 THR HG22 H -1.706 -6.239 1.323 1.00 . A A . 4 THR HG22 1 1 18 7444 1 1 4 THR HG23 H -3.150 -7.225 1.549 1.00 . A A . 4 THR HG23 1 1 18 7445 1 1 4 THR N N -3.922 -3.858 3.785 1.00 . A A . 4 THR N 1 1 18 7446 1 1 4 THR O O -5.829 -5.616 2.765 1.00 . A A . 4 THR O 1 1 18 7447 1 1 4 THR OG1 O -1.519 -5.420 3.848 1.00 . A A . 4 THR OG1 1 1 18 7448 1 1 5 HIS C C -7.080 -4.776 -0.372 1.00 . A A . 5 HIS C 1 1 18 7449 1 1 5 HIS CA C -6.017 -5.821 -0.104 1.00 . A A . 5 HIS CA 1 1 18 7450 1 1 5 HIS CB C -6.635 -7.157 0.392 1.00 . A A . 5 HIS CB 1 1 18 7451 1 1 5 HIS CD2 C -4.840 -8.725 -0.585 1.00 . A A . 5 HIS CD2 1 1 18 7452 1 1 5 HIS CE1 C -4.574 -10.067 1.089 1.00 . A A . 5 HIS CE1 1 1 18 7453 1 1 5 HIS CG C -5.677 -8.306 0.386 1.00 . A A . 5 HIS CG 1 1 18 7454 1 1 5 HIS H H -4.108 -4.939 0.265 1.00 . A A . 5 HIS H 1 1 18 7455 1 1 5 HIS HA H -5.562 -6.001 -1.068 1.00 . A A . 5 HIS HA 1 1 18 7456 1 1 5 HIS HB2 H -6.983 -7.025 1.405 1.00 . A A . 5 HIS HB2 1 1 18 7457 1 1 5 HIS HB3 H -7.474 -7.412 -0.240 1.00 . A A . 5 HIS HB3 1 1 18 7458 1 1 5 HIS HD1 H -5.985 -9.160 2.296 1.00 . A A . 5 HIS HD1 1 1 18 7459 1 1 5 HIS HD2 H -4.725 -8.272 -1.558 1.00 . A A . 5 HIS HD2 1 1 18 7460 1 1 5 HIS HE1 H -4.227 -10.871 1.721 1.00 . A A . 5 HIS HE1 1 1 18 7461 1 1 5 HIS N N -4.896 -5.313 0.724 1.00 . A A . 5 HIS N 1 1 18 7462 1 1 5 HIS ND1 N -5.498 -9.173 1.442 1.00 . A A . 5 HIS ND1 1 1 18 7463 1 1 5 HIS NE2 N -4.138 -9.839 -0.140 1.00 . A A . 5 HIS NE2 1 1 18 7464 1 1 5 HIS O O -7.900 -4.943 -1.279 1.00 . A A . 5 HIS O 1 1 18 7465 1 1 6 GLU C C -7.477 -1.814 -1.055 1.00 . A A . 6 GLU C 1 1 18 7466 1 1 6 GLU CA C -7.984 -2.610 0.123 1.00 . A A . 6 GLU CA 1 1 18 7467 1 1 6 GLU CB C -8.125 -1.672 1.312 1.00 . A A . 6 GLU CB 1 1 18 7468 1 1 6 GLU CD C -9.270 -1.027 3.412 1.00 . A A . 6 GLU CD 1 1 18 7469 1 1 6 GLU CG C -8.993 -2.151 2.441 1.00 . A A . 6 GLU CG 1 1 18 7470 1 1 6 GLU H H -6.451 -3.638 1.139 1.00 . A A . 6 GLU H 1 1 18 7471 1 1 6 GLU HA H -8.952 -3.024 -0.122 1.00 . A A . 6 GLU HA 1 1 18 7472 1 1 6 GLU HB2 H -7.145 -1.532 1.743 1.00 . A A . 6 GLU HB2 1 1 18 7473 1 1 6 GLU HB3 H -8.502 -0.723 0.964 1.00 . A A . 6 GLU HB3 1 1 18 7474 1 1 6 GLU HG2 H -9.925 -2.520 2.042 1.00 . A A . 6 GLU HG2 1 1 18 7475 1 1 6 GLU HG3 H -8.482 -2.945 2.967 1.00 . A A . 6 GLU HG3 1 1 18 7476 1 1 6 GLU N N -7.080 -3.706 0.389 1.00 . A A . 6 GLU N 1 1 18 7477 1 1 6 GLU O O -6.274 -1.726 -1.255 1.00 . A A . 6 GLU O 1 1 18 7478 1 1 6 GLU OE1 O -10.133 -0.154 3.105 1.00 . A A . 6 GLU OE1 1 1 18 7479 1 1 6 GLU OE2 O -8.650 -0.974 4.485 1.00 . A A . 6 GLU OE2 1 1 18 7480 1 1 7 LYS C C -7.322 0.824 -2.381 1.00 . A A . 7 LYS C 1 1 18 7481 1 1 7 LYS CA C -8.038 -0.413 -2.956 1.00 . A A . 7 LYS CA 1 1 18 7482 1 1 7 LYS CB C -9.352 -0.030 -3.675 1.00 . A A . 7 LYS CB 1 1 18 7483 1 1 7 LYS CD C -8.632 1.882 -5.213 1.00 . A A . 7 LYS CD 1 1 18 7484 1 1 7 LYS CE C -8.690 2.397 -6.639 1.00 . A A . 7 LYS CE 1 1 18 7485 1 1 7 LYS CG C -9.248 0.500 -5.104 1.00 . A A . 7 LYS CG 1 1 18 7486 1 1 7 LYS H H -9.338 -1.426 -1.676 1.00 . A A . 7 LYS H 1 1 18 7487 1 1 7 LYS HA H -7.387 -0.950 -3.628 1.00 . A A . 7 LYS HA 1 1 18 7488 1 1 7 LYS HB2 H -9.976 -0.910 -3.718 1.00 . A A . 7 LYS HB2 1 1 18 7489 1 1 7 LYS HB3 H -9.856 0.713 -3.076 1.00 . A A . 7 LYS HB3 1 1 18 7490 1 1 7 LYS HD2 H -9.178 2.558 -4.572 1.00 . A A . 7 LYS HD2 1 1 18 7491 1 1 7 LYS HD3 H -7.602 1.834 -4.894 1.00 . A A . 7 LYS HD3 1 1 18 7492 1 1 7 LYS HE2 H -8.119 3.312 -6.706 1.00 . A A . 7 LYS HE2 1 1 18 7493 1 1 7 LYS HE3 H -8.251 1.657 -7.288 1.00 . A A . 7 LYS HE3 1 1 18 7494 1 1 7 LYS HG2 H -8.635 -0.192 -5.661 1.00 . A A . 7 LYS HG2 1 1 18 7495 1 1 7 LYS HG3 H -10.241 0.510 -5.524 1.00 . A A . 7 LYS HG3 1 1 18 7496 1 1 7 LYS HZ1 H -10.096 2.946 -8.072 1.00 . A A . 7 LYS HZ1 1 1 18 7497 1 1 7 LYS HZ2 H -10.491 3.446 -6.529 1.00 . A A . 7 LYS HZ2 1 1 18 7498 1 1 7 LYS HZ3 H -10.697 1.822 -6.969 1.00 . A A . 7 LYS HZ3 1 1 18 7499 1 1 7 LYS N N -8.385 -1.265 -1.837 1.00 . A A . 7 LYS N 1 1 18 7500 1 1 7 LYS NZ N -10.085 2.658 -7.074 1.00 . A A . 7 LYS NZ 1 1 18 7501 1 1 7 LYS O O -7.673 1.296 -1.281 1.00 . A A . 7 LYS O 1 1 18 7502 1 1 8 CYS C C -5.776 3.703 -3.411 1.00 . A A . 8 CYS C 1 1 18 7503 1 1 8 CYS CA C -5.580 2.452 -2.583 1.00 . A A . 8 CYS CA 1 1 18 7504 1 1 8 CYS CB C -4.105 2.063 -2.590 1.00 . A A . 8 CYS CB 1 1 18 7505 1 1 8 CYS H H -6.155 1.009 -3.990 1.00 . A A . 8 CYS H 1 1 18 7506 1 1 8 CYS HA H -5.874 2.642 -1.562 1.00 . A A . 8 CYS HA 1 1 18 7507 1 1 8 CYS HB2 H -3.515 2.922 -2.305 1.00 . A A . 8 CYS HB2 1 1 18 7508 1 1 8 CYS HB3 H -3.947 1.273 -1.871 1.00 . A A . 8 CYS HB3 1 1 18 7509 1 1 8 CYS N N -6.368 1.353 -3.094 1.00 . A A . 8 CYS N 1 1 18 7510 1 1 8 CYS O O -5.854 3.640 -4.641 1.00 . A A . 8 CYS O 1 1 18 7511 1 1 8 CYS SG S -3.482 1.481 -4.206 1.00 . A A . 8 CYS SG 1 1 18 7512 1 1 9 SER C C -4.622 6.717 -3.596 1.00 . A A . 9 SER C 1 1 18 7513 1 1 9 SER CA C -6.013 6.097 -3.423 1.00 . A A . 9 SER CA 1 1 18 7514 1 1 9 SER CB C -6.935 7.035 -2.646 1.00 . A A . 9 SER CB 1 1 18 7515 1 1 9 SER H H -5.932 4.830 -1.750 1.00 . A A . 9 SER H 1 1 18 7516 1 1 9 SER HA H -6.437 5.908 -4.398 1.00 . A A . 9 SER HA 1 1 18 7517 1 1 9 SER HB2 H -6.502 7.241 -1.679 1.00 . A A . 9 SER HB2 1 1 18 7518 1 1 9 SER HB3 H -7.055 7.959 -3.193 1.00 . A A . 9 SER HB3 1 1 18 7519 1 1 9 SER HG H -8.075 5.514 -2.212 1.00 . A A . 9 SER HG 1 1 18 7520 1 1 9 SER N N -5.902 4.833 -2.738 1.00 . A A . 9 SER N 1 1 18 7521 1 1 9 SER O O -4.426 7.620 -4.415 1.00 . A A . 9 SER O 1 1 18 7522 1 1 9 SER OG O -8.219 6.436 -2.461 1.00 . A A . 9 SER OG 1 1 18 7523 1 1 10 ASP C C -1.494 5.755 -1.942 1.00 . A A . 10 ASP C 1 1 18 7524 1 1 10 ASP CA C -2.278 6.670 -2.864 1.00 . A A . 10 ASP CA 1 1 18 7525 1 1 10 ASP CB C -2.175 8.131 -2.351 1.00 . A A . 10 ASP CB 1 1 18 7526 1 1 10 ASP CG C -0.818 8.759 -2.602 1.00 . A A . 10 ASP CG 1 1 18 7527 1 1 10 ASP H H -3.863 5.476 -2.210 1.00 . A A . 10 ASP H 1 1 18 7528 1 1 10 ASP HA H -1.901 6.596 -3.873 1.00 . A A . 10 ASP HA 1 1 18 7529 1 1 10 ASP HB2 H -2.920 8.732 -2.849 1.00 . A A . 10 ASP HB2 1 1 18 7530 1 1 10 ASP HB3 H -2.368 8.141 -1.289 1.00 . A A . 10 ASP HB3 1 1 18 7531 1 1 10 ASP N N -3.663 6.208 -2.833 1.00 . A A . 10 ASP N 1 1 18 7532 1 1 10 ASP O O -2.102 4.984 -1.205 1.00 . A A . 10 ASP O 1 1 18 7533 1 1 10 ASP OD1 O 0.132 8.504 -1.833 1.00 . A A . 10 ASP OD1 1 1 18 7534 1 1 10 ASP OD2 O -0.675 9.505 -3.589 1.00 . A A . 10 ASP OD2 1 1 18 7535 1 1 11 ASP C C 0.490 5.527 0.329 1.00 . A A . 11 ASP C 1 1 18 7536 1 1 11 ASP CA C 0.671 5.044 -1.078 1.00 . A A . 11 ASP CA 1 1 18 7537 1 1 11 ASP CB C 2.155 5.204 -1.425 1.00 . A A . 11 ASP CB 1 1 18 7538 1 1 11 ASP CG C 2.475 4.893 -2.847 1.00 . A A . 11 ASP CG 1 1 18 7539 1 1 11 ASP H H 0.236 6.509 -2.546 1.00 . A A . 11 ASP H 1 1 18 7540 1 1 11 ASP HA H 0.389 4.005 -1.156 1.00 . A A . 11 ASP HA 1 1 18 7541 1 1 11 ASP HB2 H 2.452 6.223 -1.232 1.00 . A A . 11 ASP HB2 1 1 18 7542 1 1 11 ASP HB3 H 2.733 4.548 -0.790 1.00 . A A . 11 ASP HB3 1 1 18 7543 1 1 11 ASP N N -0.181 5.846 -1.954 1.00 . A A . 11 ASP N 1 1 18 7544 1 1 11 ASP O O 0.463 4.746 1.280 1.00 . A A . 11 ASP O 1 1 18 7545 1 1 11 ASP OD1 O 2.456 3.724 -3.234 1.00 . A A . 11 ASP OD1 1 1 18 7546 1 1 11 ASP OD2 O 2.758 5.831 -3.616 1.00 . A A . 11 ASP OD2 1 1 18 7547 1 1 12 TYR C C -1.255 7.243 2.285 1.00 . A A . 12 TYR C 1 1 18 7548 1 1 12 TYR CA C 0.154 7.455 1.762 1.00 . A A . 12 TYR CA 1 1 18 7549 1 1 12 TYR CB C 0.517 8.937 1.717 1.00 . A A . 12 TYR CB 1 1 18 7550 1 1 12 TYR CD1 C 2.320 9.607 0.082 1.00 . A A . 12 TYR CD1 1 1 18 7551 1 1 12 TYR CD2 C 2.975 9.000 2.282 1.00 . A A . 12 TYR CD2 1 1 18 7552 1 1 12 TYR CE1 C 3.636 9.831 -0.260 1.00 . A A . 12 TYR CE1 1 1 18 7553 1 1 12 TYR CE2 C 4.295 9.222 1.950 1.00 . A A . 12 TYR CE2 1 1 18 7554 1 1 12 TYR CG C 1.965 9.190 1.354 1.00 . A A . 12 TYR CG 1 1 18 7555 1 1 12 TYR CZ C 4.619 9.638 0.674 1.00 . A A . 12 TYR CZ 1 1 18 7556 1 1 12 TYR H H 0.302 7.403 -0.346 1.00 . A A . 12 TYR H 1 1 18 7557 1 1 12 TYR HA H 0.833 6.951 2.435 1.00 . A A . 12 TYR HA 1 1 18 7558 1 1 12 TYR HB2 H -0.101 9.428 0.981 1.00 . A A . 12 TYR HB2 1 1 18 7559 1 1 12 TYR HB3 H 0.334 9.374 2.686 1.00 . A A . 12 TYR HB3 1 1 18 7560 1 1 12 TYR HD1 H 1.542 9.758 -0.651 1.00 . A A . 12 TYR HD1 1 1 18 7561 1 1 12 TYR HD2 H 2.718 8.672 3.279 1.00 . A A . 12 TYR HD2 1 1 18 7562 1 1 12 TYR HE1 H 3.888 10.157 -1.258 1.00 . A A . 12 TYR HE1 1 1 18 7563 1 1 12 TYR HE2 H 5.063 9.066 2.692 1.00 . A A . 12 TYR HE2 1 1 18 7564 1 1 12 TYR HH H 5.975 10.685 -0.173 1.00 . A A . 12 TYR HH 1 1 18 7565 1 1 12 TYR N N 0.321 6.834 0.463 1.00 . A A . 12 TYR N 1 1 18 7566 1 1 12 TYR O O -1.558 7.549 3.438 1.00 . A A . 12 TYR O 1 1 18 7567 1 1 12 TYR OH O 5.939 9.860 0.334 1.00 . A A . 12 TYR OH 1 1 18 7568 1 1 13 ASP C C -3.450 4.925 2.376 1.00 . A A . 13 ASP C 1 1 18 7569 1 1 13 ASP CA C -3.459 6.338 1.799 1.00 . A A . 13 ASP CA 1 1 18 7570 1 1 13 ASP CB C -4.389 6.454 0.566 1.00 . A A . 13 ASP CB 1 1 18 7571 1 1 13 ASP CG C -5.813 5.940 0.772 1.00 . A A . 13 ASP CG 1 1 18 7572 1 1 13 ASP H H -1.801 6.523 0.516 1.00 . A A . 13 ASP H 1 1 18 7573 1 1 13 ASP HA H -3.788 7.023 2.568 1.00 . A A . 13 ASP HA 1 1 18 7574 1 1 13 ASP HB2 H -4.457 7.492 0.281 1.00 . A A . 13 ASP HB2 1 1 18 7575 1 1 13 ASP HB3 H -3.942 5.903 -0.249 1.00 . A A . 13 ASP HB3 1 1 18 7576 1 1 13 ASP N N -2.100 6.700 1.434 1.00 . A A . 13 ASP N 1 1 18 7577 1 1 13 ASP O O -4.379 4.500 3.025 1.00 . A A . 13 ASP O 1 1 18 7578 1 1 13 ASP OD1 O -6.562 6.489 1.621 1.00 . A A . 13 ASP OD1 1 1 18 7579 1 1 13 ASP OD2 O -6.229 5.021 0.025 1.00 . A A . 13 ASP OD2 1 1 18 7580 1 1 14 CYS C C -1.432 2.928 4.025 1.00 . A A . 14 CYS C 1 1 18 7581 1 1 14 CYS CA C -2.176 2.885 2.696 1.00 . A A . 14 CYS CA 1 1 18 7582 1 1 14 CYS CB C -1.403 2.033 1.699 1.00 . A A . 14 CYS CB 1 1 18 7583 1 1 14 CYS H H -1.609 4.633 1.680 1.00 . A A . 14 CYS H 1 1 18 7584 1 1 14 CYS HA H -3.154 2.453 2.849 1.00 . A A . 14 CYS HA 1 1 18 7585 1 1 14 CYS HB2 H -0.419 2.454 1.553 1.00 . A A . 14 CYS HB2 1 1 18 7586 1 1 14 CYS HB3 H -1.310 1.033 2.096 1.00 . A A . 14 CYS HB3 1 1 18 7587 1 1 14 CYS N N -2.349 4.229 2.181 1.00 . A A . 14 CYS N 1 1 18 7588 1 1 14 CYS O O -0.523 3.754 4.211 1.00 . A A . 14 CYS O 1 1 18 7589 1 1 14 CYS SG S -2.196 1.906 0.076 1.00 . A A . 14 CYS SG 1 1 18 7590 1 1 15 CYS C C 0.205 1.492 6.233 1.00 . A A . 15 CYS C 1 1 18 7591 1 1 15 CYS CA C -1.237 1.987 6.269 1.00 . A A . 15 CYS CA 1 1 18 7592 1 1 15 CYS CB C -2.060 1.044 7.153 1.00 . A A . 15 CYS CB 1 1 18 7593 1 1 15 CYS H H -2.540 1.421 4.714 1.00 . A A . 15 CYS H 1 1 18 7594 1 1 15 CYS HA H -1.268 2.973 6.709 1.00 . A A . 15 CYS HA 1 1 18 7595 1 1 15 CYS HB2 H -2.028 0.053 6.727 1.00 . A A . 15 CYS HB2 1 1 18 7596 1 1 15 CYS HB3 H -1.617 1.016 8.137 1.00 . A A . 15 CYS HB3 1 1 18 7597 1 1 15 CYS N N -1.822 2.058 4.935 1.00 . A A . 15 CYS N 1 1 18 7598 1 1 15 CYS O O 0.592 0.742 5.335 1.00 . A A . 15 CYS O 1 1 18 7599 1 1 15 CYS SG S -3.817 1.489 7.349 1.00 . A A . 15 CYS SG 1 1 18 7600 1 1 16 GLY C C 3.239 1.639 6.193 1.00 . A A . 16 GLY C 1 1 18 7601 1 1 16 GLY CA C 2.347 1.503 7.397 1.00 . A A . 16 GLY CA 1 1 18 7602 1 1 16 GLY H H 0.637 2.642 7.799 1.00 . A A . 16 GLY H 1 1 18 7603 1 1 16 GLY HA2 H 2.779 2.079 8.200 1.00 . A A . 16 GLY HA2 1 1 18 7604 1 1 16 GLY HA3 H 2.322 0.468 7.700 1.00 . A A . 16 GLY HA3 1 1 18 7605 1 1 16 GLY N N 0.988 1.955 7.192 1.00 . A A . 16 GLY N 1 1 18 7606 1 1 16 GLY O O 3.293 2.691 5.555 1.00 . A A . 16 GLY O 1 1 18 7607 1 1 17 SER C C 4.226 0.137 3.456 1.00 . A A . 17 SER C 1 1 18 7608 1 1 17 SER CA C 4.847 0.550 4.789 1.00 . A A . 17 SER CA 1 1 18 7609 1 1 17 SER CB C 5.972 -0.389 5.192 1.00 . A A . 17 SER CB 1 1 18 7610 1 1 17 SER H H 3.723 -0.283 6.318 1.00 . A A . 17 SER H 1 1 18 7611 1 1 17 SER HA H 5.261 1.542 4.693 1.00 . A A . 17 SER HA 1 1 18 7612 1 1 17 SER HB2 H 6.561 -0.638 4.322 1.00 . A A . 17 SER HB2 1 1 18 7613 1 1 17 SER HB3 H 6.598 0.090 5.931 1.00 . A A . 17 SER HB3 1 1 18 7614 1 1 17 SER HG H 6.168 -2.022 6.213 1.00 . A A . 17 SER HG 1 1 18 7615 1 1 17 SER N N 3.885 0.567 5.852 1.00 . A A . 17 SER N 1 1 18 7616 1 1 17 SER O O 4.928 0.035 2.444 1.00 . A A . 17 SER O 1 1 18 7617 1 1 17 SER OG O 5.438 -1.589 5.752 1.00 . A A . 17 SER OG 1 1 18 7618 1 1 18 LEU C C 2.244 0.573 1.191 1.00 . A A . 18 LEU C 1 1 18 7619 1 1 18 LEU CA C 2.199 -0.499 2.257 1.00 . A A . 18 LEU CA 1 1 18 7620 1 1 18 LEU CB C 0.743 -0.809 2.576 1.00 . A A . 18 LEU CB 1 1 18 7621 1 1 18 LEU CD1 C -1.006 -2.043 3.831 1.00 . A A . 18 LEU CD1 1 1 18 7622 1 1 18 LEU CD2 C 1.081 -3.213 3.158 1.00 . A A . 18 LEU CD2 1 1 18 7623 1 1 18 LEU CG C 0.481 -1.899 3.602 1.00 . A A . 18 LEU CG 1 1 18 7624 1 1 18 LEU H H 2.411 0.073 4.283 1.00 . A A . 18 LEU H 1 1 18 7625 1 1 18 LEU HA H 2.669 -1.393 1.877 1.00 . A A . 18 LEU HA 1 1 18 7626 1 1 18 LEU HB2 H 0.297 0.101 2.948 1.00 . A A . 18 LEU HB2 1 1 18 7627 1 1 18 LEU HB3 H 0.246 -1.082 1.656 1.00 . A A . 18 LEU HB3 1 1 18 7628 1 1 18 LEU HD11 H -1.186 -2.820 4.559 1.00 . A A . 18 LEU HD11 1 1 18 7629 1 1 18 LEU HD12 H -1.482 -2.308 2.899 1.00 . A A . 18 LEU HD12 1 1 18 7630 1 1 18 LEU HD13 H -1.409 -1.108 4.191 1.00 . A A . 18 LEU HD13 1 1 18 7631 1 1 18 LEU HD21 H 2.153 -3.118 3.076 1.00 . A A . 18 LEU HD21 1 1 18 7632 1 1 18 LEU HD22 H 0.669 -3.488 2.197 1.00 . A A . 18 LEU HD22 1 1 18 7633 1 1 18 LEU HD23 H 0.838 -3.974 3.883 1.00 . A A . 18 LEU HD23 1 1 18 7634 1 1 18 LEU HG H 0.935 -1.613 4.539 1.00 . A A . 18 LEU HG 1 1 18 7635 1 1 18 LEU N N 2.916 -0.075 3.454 1.00 . A A . 18 LEU N 1 1 18 7636 1 1 18 LEU O O 2.237 1.778 1.500 1.00 . A A . 18 LEU O 1 1 18 7637 1 1 19 CYS C C 1.101 0.762 -2.032 1.00 . A A . 19 CYS C 1 1 18 7638 1 1 19 CYS CA C 2.302 1.031 -1.153 1.00 . A A . 19 CYS CA 1 1 18 7639 1 1 19 CYS CB C 3.609 0.836 -1.928 1.00 . A A . 19 CYS CB 1 1 18 7640 1 1 19 CYS H H 2.202 -0.820 -0.216 1.00 . A A . 19 CYS H 1 1 18 7641 1 1 19 CYS HA H 2.252 2.045 -0.784 1.00 . A A . 19 CYS HA 1 1 18 7642 1 1 19 CYS HB2 H 3.659 -0.180 -2.291 1.00 . A A . 19 CYS HB2 1 1 18 7643 1 1 19 CYS HB3 H 3.623 1.516 -2.766 1.00 . A A . 19 CYS HB3 1 1 18 7644 1 1 19 CYS N N 2.253 0.145 -0.032 1.00 . A A . 19 CYS N 1 1 18 7645 1 1 19 CYS O O 0.442 -0.289 -1.896 1.00 . A A . 19 CYS O 1 1 18 7646 1 1 19 CYS SG S 5.111 1.146 -0.932 1.00 . A A . 19 CYS SG 1 1 18 7647 1 1 20 CYS C C 0.038 0.805 -4.996 1.00 . A A . 20 CYS C 1 1 18 7648 1 1 20 CYS CA C -0.345 1.572 -3.743 1.00 . A A . 20 CYS CA 1 1 18 7649 1 1 20 CYS CB C -0.843 2.978 -4.086 1.00 . A A . 20 CYS CB 1 1 18 7650 1 1 20 CYS H H 1.401 2.459 -3.012 1.00 . A A . 20 CYS H 1 1 18 7651 1 1 20 CYS HA H -1.120 1.041 -3.211 1.00 . A A . 20 CYS HA 1 1 18 7652 1 1 20 CYS HB2 H -0.947 3.546 -3.174 1.00 . A A . 20 CYS HB2 1 1 18 7653 1 1 20 CYS HB3 H -0.106 3.459 -4.713 1.00 . A A . 20 CYS HB3 1 1 18 7654 1 1 20 CYS N N 0.802 1.678 -2.901 1.00 . A A . 20 CYS N 1 1 18 7655 1 1 20 CYS O O 0.913 1.227 -5.761 1.00 . A A . 20 CYS O 1 1 18 7656 1 1 20 CYS SG S -2.443 3.052 -4.951 1.00 . A A . 20 CYS SG 1 1 18 7657 1 1 21 VAL C C -1.689 -1.579 -6.893 1.00 . A A . 21 VAL C 1 1 18 7658 1 1 21 VAL CA C -0.321 -1.219 -6.302 1.00 . A A . 21 VAL CA 1 1 18 7659 1 1 21 VAL CB C 0.378 -2.540 -5.796 1.00 . A A . 21 VAL CB 1 1 18 7660 1 1 21 VAL CG1 C 1.035 -3.307 -6.933 1.00 . A A . 21 VAL CG1 1 1 18 7661 1 1 21 VAL CG2 C 1.382 -2.274 -4.685 1.00 . A A . 21 VAL CG2 1 1 18 7662 1 1 21 VAL H H -1.257 -0.623 -4.514 1.00 . A A . 21 VAL H 1 1 18 7663 1 1 21 VAL HA H 0.301 -0.719 -7.031 1.00 . A A . 21 VAL HA 1 1 18 7664 1 1 21 VAL HB H -0.404 -3.174 -5.402 1.00 . A A . 21 VAL HB 1 1 18 7665 1 1 21 VAL HG11 H 0.284 -3.600 -7.651 1.00 . A A . 21 VAL HG11 1 1 18 7666 1 1 21 VAL HG12 H 1.525 -4.187 -6.540 1.00 . A A . 21 VAL HG12 1 1 18 7667 1 1 21 VAL HG13 H 1.767 -2.675 -7.413 1.00 . A A . 21 VAL HG13 1 1 18 7668 1 1 21 VAL HG21 H 0.879 -1.815 -3.846 1.00 . A A . 21 VAL HG21 1 1 18 7669 1 1 21 VAL HG22 H 2.153 -1.612 -5.048 1.00 . A A . 21 VAL HG22 1 1 18 7670 1 1 21 VAL HG23 H 1.828 -3.207 -4.370 1.00 . A A . 21 VAL HG23 1 1 18 7671 1 1 21 VAL N N -0.588 -0.334 -5.178 1.00 . A A . 21 VAL N 1 1 18 7672 1 1 21 VAL O O -1.933 -2.696 -7.353 1.00 . A A . 21 VAL O 1 1 18 7673 1 1 22 GLY C C -4.727 -1.074 -5.967 1.00 . A A . 22 GLY C 1 1 18 7674 1 1 22 GLY CA C -3.963 -0.847 -7.230 1.00 . A A . 22 GLY CA 1 1 18 7675 1 1 22 GLY H H -2.305 0.278 -6.575 1.00 . A A . 22 GLY H 1 1 18 7676 1 1 22 GLY HA2 H -4.342 0.023 -7.742 1.00 . A A . 22 GLY HA2 1 1 18 7677 1 1 22 GLY HA3 H -4.041 -1.721 -7.858 1.00 . A A . 22 GLY HA3 1 1 18 7678 1 1 22 GLY N N -2.580 -0.621 -6.859 1.00 . A A . 22 GLY N 1 1 18 7679 1 1 22 GLY O O -5.781 -0.477 -5.711 1.00 . A A . 22 GLY O 1 1 18 7680 1 1 23 ILE C C -3.384 -1.901 -2.930 1.00 . A A . 23 ILE C 1 1 18 7681 1 1 23 ILE CA C -4.572 -2.178 -3.834 1.00 . A A . 23 ILE CA 1 1 18 7682 1 1 23 ILE CB C -5.029 -3.659 -3.651 1.00 . A A . 23 ILE CB 1 1 18 7683 1 1 23 ILE CD1 C -4.239 -6.104 -3.848 1.00 . A A . 23 ILE CD1 1 1 18 7684 1 1 23 ILE CG1 C -3.905 -4.639 -4.058 1.00 . A A . 23 ILE CG1 1 1 18 7685 1 1 23 ILE CG2 C -6.307 -3.929 -4.437 1.00 . A A . 23 ILE CG2 1 1 18 7686 1 1 23 ILE H H -3.337 -2.357 -5.491 1.00 . A A . 23 ILE H 1 1 18 7687 1 1 23 ILE HA H -5.380 -1.508 -3.583 1.00 . A A . 23 ILE HA 1 1 18 7688 1 1 23 ILE HB H -5.254 -3.803 -2.604 1.00 . A A . 23 ILE HB 1 1 18 7689 1 1 23 ILE HD11 H -4.417 -6.287 -2.799 1.00 . A A . 23 ILE HD11 1 1 18 7690 1 1 23 ILE HD12 H -3.414 -6.713 -4.186 1.00 . A A . 23 ILE HD12 1 1 18 7691 1 1 23 ILE HD13 H -5.125 -6.354 -4.413 1.00 . A A . 23 ILE HD13 1 1 18 7692 1 1 23 ILE HG12 H -3.690 -4.502 -5.107 1.00 . A A . 23 ILE HG12 1 1 18 7693 1 1 23 ILE HG13 H -3.018 -4.410 -3.486 1.00 . A A . 23 ILE HG13 1 1 18 7694 1 1 23 ILE HG21 H -7.095 -3.284 -4.078 1.00 . A A . 23 ILE HG21 1 1 18 7695 1 1 23 ILE HG22 H -6.598 -4.961 -4.309 1.00 . A A . 23 ILE HG22 1 1 18 7696 1 1 23 ILE HG23 H -6.132 -3.733 -5.485 1.00 . A A . 23 ILE HG23 1 1 18 7697 1 1 23 ILE N N -4.143 -1.905 -5.162 1.00 . A A . 23 ILE N 1 1 18 7698 1 1 23 ILE O O -2.242 -1.827 -3.420 1.00 . A A . 23 ILE O 1 1 18 7699 1 1 24 CYS C C -1.908 -2.850 -0.494 1.00 . A A . 24 CYS C 1 1 18 7700 1 1 24 CYS CA C -2.567 -1.518 -0.728 1.00 . A A . 24 CYS CA 1 1 18 7701 1 1 24 CYS CB C -3.085 -0.941 0.583 1.00 . A A . 24 CYS CB 1 1 18 7702 1 1 24 CYS H H -4.564 -1.664 -1.368 1.00 . A A . 24 CYS H 1 1 18 7703 1 1 24 CYS HA H -1.845 -0.840 -1.160 1.00 . A A . 24 CYS HA 1 1 18 7704 1 1 24 CYS HB2 H -3.843 -1.599 0.982 1.00 . A A . 24 CYS HB2 1 1 18 7705 1 1 24 CYS HB3 H -2.268 -0.881 1.287 1.00 . A A . 24 CYS HB3 1 1 18 7706 1 1 24 CYS N N -3.628 -1.698 -1.675 1.00 . A A . 24 CYS N 1 1 18 7707 1 1 24 CYS O O -2.558 -3.812 -0.052 1.00 . A A . 24 CYS O 1 1 18 7708 1 1 24 CYS SG S -3.809 0.721 0.427 1.00 . A A . 24 CYS SG 1 1 18 7709 1 1 25 ALA C C 1.516 -3.793 -0.412 1.00 . A A . 25 ALA C 1 1 18 7710 1 1 25 ALA CA C 0.087 -4.136 -0.707 1.00 . A A . 25 ALA CA 1 1 18 7711 1 1 25 ALA CB C -0.012 -4.972 -1.979 1.00 . A A . 25 ALA CB 1 1 18 7712 1 1 25 ALA H H -0.206 -2.135 -1.203 1.00 . A A . 25 ALA H 1 1 18 7713 1 1 25 ALA HA H -0.325 -4.705 0.113 1.00 . A A . 25 ALA HA 1 1 18 7714 1 1 25 ALA HB1 H 0.553 -5.885 -1.855 1.00 . A A . 25 ALA HB1 1 1 18 7715 1 1 25 ALA HB2 H 0.389 -4.411 -2.810 1.00 . A A . 25 ALA HB2 1 1 18 7716 1 1 25 ALA HB3 H -1.047 -5.212 -2.173 1.00 . A A . 25 ALA HB3 1 1 18 7717 1 1 25 ALA N N -0.662 -2.930 -0.843 1.00 . A A . 25 ALA N 1 1 18 7718 1 1 25 ALA O O 1.921 -2.627 -0.523 1.00 . A A . 25 ALA O 1 1 18 7719 1 1 26 LYS C C 4.460 -4.878 -0.979 1.00 . A A . 26 LYS C 1 1 18 7720 1 1 26 LYS CA C 3.649 -4.592 0.279 1.00 . A A . 26 LYS CA 1 1 18 7721 1 1 26 LYS CB C 4.056 -5.502 1.446 1.00 . A A . 26 LYS CB 1 1 18 7722 1 1 26 LYS CD C 5.782 -6.162 3.170 1.00 . A A . 26 LYS CD 1 1 18 7723 1 1 26 LYS CE C 5.492 -7.657 3.040 1.00 . A A . 26 LYS CE 1 1 18 7724 1 1 26 LYS CG C 5.510 -5.382 1.882 1.00 . A A . 26 LYS CG 1 1 18 7725 1 1 26 LYS H H 1.861 -5.662 0.095 1.00 . A A . 26 LYS H 1 1 18 7726 1 1 26 LYS HA H 3.795 -3.561 0.564 1.00 . A A . 26 LYS HA 1 1 18 7727 1 1 26 LYS HB2 H 3.433 -5.272 2.298 1.00 . A A . 26 LYS HB2 1 1 18 7728 1 1 26 LYS HB3 H 3.874 -6.524 1.151 1.00 . A A . 26 LYS HB3 1 1 18 7729 1 1 26 LYS HD2 H 6.820 -6.038 3.441 1.00 . A A . 26 LYS HD2 1 1 18 7730 1 1 26 LYS HD3 H 5.162 -5.752 3.953 1.00 . A A . 26 LYS HD3 1 1 18 7731 1 1 26 LYS HE2 H 5.630 -8.125 4.003 1.00 . A A . 26 LYS HE2 1 1 18 7732 1 1 26 LYS HE3 H 4.466 -7.783 2.732 1.00 . A A . 26 LYS HE3 1 1 18 7733 1 1 26 LYS HG2 H 6.146 -5.765 1.097 1.00 . A A . 26 LYS HG2 1 1 18 7734 1 1 26 LYS HG3 H 5.735 -4.339 2.049 1.00 . A A . 26 LYS HG3 1 1 18 7735 1 1 26 LYS HZ1 H 6.246 -7.937 1.107 1.00 . A A . 26 LYS HZ1 1 1 18 7736 1 1 26 LYS HZ2 H 6.135 -9.338 2.026 1.00 . A A . 26 LYS HZ2 1 1 18 7737 1 1 26 LYS HZ3 H 7.367 -8.227 2.343 1.00 . A A . 26 LYS HZ3 1 1 18 7738 1 1 26 LYS N N 2.261 -4.771 -0.010 1.00 . A A . 26 LYS N 1 1 18 7739 1 1 26 LYS NZ N 6.371 -8.326 2.062 1.00 . A A . 26 LYS NZ 1 1 18 7740 1 1 26 LYS O O 4.322 -5.948 -1.597 1.00 . A A . 26 LYS O 1 1 18 7741 1 1 27 THR C C 7.462 -4.498 -2.189 1.00 . A A . 27 THR C 1 1 18 7742 1 1 27 THR CA C 6.059 -4.022 -2.549 1.00 . A A . 27 THR CA 1 1 18 7743 1 1 27 THR CB C 6.133 -2.652 -3.241 1.00 . A A . 27 THR CB 1 1 18 7744 1 1 27 THR CG2 C 4.859 -2.354 -4.001 1.00 . A A . 27 THR CG2 1 1 18 7745 1 1 27 THR H H 5.294 -3.083 -0.879 1.00 . A A . 27 THR H 1 1 18 7746 1 1 27 THR HA H 5.600 -4.722 -3.230 1.00 . A A . 27 THR HA 1 1 18 7747 1 1 27 THR HB H 6.968 -2.660 -3.926 1.00 . A A . 27 THR HB 1 1 18 7748 1 1 27 THR HG1 H 7.121 -1.112 -2.551 1.00 . A A . 27 THR HG1 1 1 18 7749 1 1 27 THR HG21 H 4.024 -2.353 -3.316 1.00 . A A . 27 THR HG21 1 1 18 7750 1 1 27 THR HG22 H 4.703 -3.108 -4.759 1.00 . A A . 27 THR HG22 1 1 18 7751 1 1 27 THR HG23 H 4.941 -1.384 -4.469 1.00 . A A . 27 THR HG23 1 1 18 7752 1 1 27 THR N N 5.237 -3.924 -1.380 1.00 . A A . 27 THR N 1 1 18 7753 1 1 27 THR O O 7.882 -4.404 -1.028 1.00 . A A . 27 THR O 1 1 18 7754 1 1 27 THR OG1 O 6.359 -1.631 -2.251 1.00 . A A . 27 THR OG1 1 1 18 7755 1 1 28 ILE C C 10.437 -4.223 -2.773 1.00 . A A . 28 ILE C 1 1 18 7756 1 1 28 ILE CA C 9.545 -5.458 -2.958 1.00 . A A . 28 ILE CA 1 1 18 7757 1 1 28 ILE CB C 10.061 -6.296 -4.163 1.00 . A A . 28 ILE CB 1 1 18 7758 1 1 28 ILE CD1 C 9.394 -8.160 -5.794 1.00 . A A . 28 ILE CD1 1 1 18 7759 1 1 28 ILE CG1 C 9.031 -7.364 -4.553 1.00 . A A . 28 ILE CG1 1 1 18 7760 1 1 28 ILE CG2 C 11.376 -6.976 -3.790 1.00 . A A . 28 ILE CG2 1 1 18 7761 1 1 28 ILE H H 7.800 -5.059 -4.074 1.00 . A A . 28 ILE H 1 1 18 7762 1 1 28 ILE HA H 9.568 -6.056 -2.059 1.00 . A A . 28 ILE HA 1 1 18 7763 1 1 28 ILE HB H 10.232 -5.640 -5.003 1.00 . A A . 28 ILE HB 1 1 18 7764 1 1 28 ILE HD11 H 9.490 -7.491 -6.635 1.00 . A A . 28 ILE HD11 1 1 18 7765 1 1 28 ILE HD12 H 8.619 -8.885 -5.996 1.00 . A A . 28 ILE HD12 1 1 18 7766 1 1 28 ILE HD13 H 10.332 -8.670 -5.631 1.00 . A A . 28 ILE HD13 1 1 18 7767 1 1 28 ILE HG12 H 8.945 -8.064 -3.737 1.00 . A A . 28 ILE HG12 1 1 18 7768 1 1 28 ILE HG13 H 8.075 -6.893 -4.721 1.00 . A A . 28 ILE HG13 1 1 18 7769 1 1 28 ILE HG21 H 12.097 -6.226 -3.503 1.00 . A A . 28 ILE HG21 1 1 18 7770 1 1 28 ILE HG22 H 11.749 -7.528 -4.639 1.00 . A A . 28 ILE HG22 1 1 18 7771 1 1 28 ILE HG23 H 11.211 -7.652 -2.965 1.00 . A A . 28 ILE HG23 1 1 18 7772 1 1 28 ILE N N 8.183 -5.002 -3.170 1.00 . A A . 28 ILE N 1 1 18 7773 1 1 28 ILE O O 11.411 -4.229 -2.007 1.00 . A A . 28 ILE O 1 1 18 7774 1 1 29 ALA C C 9.858 -0.948 -2.564 1.00 . A A . 29 ALA C 1 1 18 7775 1 1 29 ALA CA C 10.752 -1.901 -3.359 1.00 . A A . 29 ALA CA 1 1 18 7776 1 1 29 ALA CB C 11.043 -1.329 -4.738 1.00 . A A . 29 ALA CB 1 1 18 7777 1 1 29 ALA H H 9.335 -3.256 -4.102 1.00 . A A . 29 ALA H 1 1 18 7778 1 1 29 ALA HA H 11.685 -2.058 -2.837 1.00 . A A . 29 ALA HA 1 1 18 7779 1 1 29 ALA HB1 H 10.115 -1.191 -5.274 1.00 . A A . 29 ALA HB1 1 1 18 7780 1 1 29 ALA HB2 H 11.676 -2.012 -5.285 1.00 . A A . 29 ALA HB2 1 1 18 7781 1 1 29 ALA HB3 H 11.544 -0.377 -4.635 1.00 . A A . 29 ALA HB3 1 1 18 7782 1 1 29 ALA N N 10.085 -3.171 -3.476 1.00 . A A . 29 ALA N 1 1 18 7783 1 1 29 ALA O O 8.750 -0.628 -3.008 1.00 . A A . 29 ALA O 1 1 18 7784 1 1 30 PRO C C 9.319 1.756 -1.181 1.00 . A A . 30 PRO C 1 1 18 7785 1 1 30 PRO CA C 9.523 0.394 -0.511 1.00 . A A . 30 PRO CA 1 1 18 7786 1 1 30 PRO CB C 10.400 0.551 0.741 1.00 . A A . 30 PRO CB 1 1 18 7787 1 1 30 PRO CD C 11.554 -0.921 -0.722 1.00 . A A . 30 PRO CD 1 1 18 7788 1 1 30 PRO CG C 11.296 -0.633 0.723 1.00 . A A . 30 PRO CG 1 1 18 7789 1 1 30 PRO HA H 8.564 -0.022 -0.241 1.00 . A A . 30 PRO HA 1 1 18 7790 1 1 30 PRO HB2 H 10.959 1.473 0.675 1.00 . A A . 30 PRO HB2 1 1 18 7791 1 1 30 PRO HB3 H 9.780 0.563 1.624 1.00 . A A . 30 PRO HB3 1 1 18 7792 1 1 30 PRO HD2 H 12.382 -0.333 -1.090 1.00 . A A . 30 PRO HD2 1 1 18 7793 1 1 30 PRO HD3 H 11.744 -1.976 -0.856 1.00 . A A . 30 PRO HD3 1 1 18 7794 1 1 30 PRO HG2 H 12.219 -0.408 1.236 1.00 . A A . 30 PRO HG2 1 1 18 7795 1 1 30 PRO HG3 H 10.802 -1.472 1.189 1.00 . A A . 30 PRO HG3 1 1 18 7796 1 1 30 PRO N N 10.292 -0.530 -1.362 1.00 . A A . 30 PRO N 1 1 18 7797 1 1 30 PRO O O 10.172 2.224 -1.944 1.00 . A A . 30 PRO O 1 1 18 7798 1 1 31 CYS C C 8.009 4.747 -0.432 1.00 . A A . 31 CYS C 1 1 18 7799 1 1 31 CYS CA C 7.885 3.659 -1.491 1.00 . A A . 31 CYS CA 1 1 18 7800 1 1 31 CYS CB C 6.463 3.633 -2.054 1.00 . A A . 31 CYS CB 1 1 18 7801 1 1 31 CYS H H 7.543 1.948 -0.323 1.00 . A A . 31 CYS H 1 1 18 7802 1 1 31 CYS HA H 8.576 3.857 -2.296 1.00 . A A . 31 CYS HA 1 1 18 7803 1 1 31 CYS HB2 H 6.213 4.614 -2.430 1.00 . A A . 31 CYS HB2 1 1 18 7804 1 1 31 CYS HB3 H 6.413 2.917 -2.861 1.00 . A A . 31 CYS HB3 1 1 18 7805 1 1 31 CYS N N 8.203 2.368 -0.921 1.00 . A A . 31 CYS N 1 1 18 7806 1 1 31 CYS O O 8.020 5.937 -0.739 1.00 . A A . 31 CYS O 1 1 18 7807 1 1 31 CYS SG S 5.199 3.169 -0.817 1.00 . A A . 31 CYS SG 1 1 18 7808 1 1 32 LYS C C 9.511 5.067 2.600 1.00 . A A . 32 LYS C 1 1 18 7809 1 1 32 LYS CA C 8.186 5.264 1.909 1.00 . A A . 32 LYS CA 1 1 18 7810 1 1 32 LYS CB C 7.041 5.018 2.895 1.00 . A A . 32 LYS CB 1 1 18 7811 1 1 32 LYS CD C 4.604 4.720 3.299 1.00 . A A . 32 LYS CD 1 1 18 7812 1 1 32 LYS CE C 3.243 4.643 2.658 1.00 . A A . 32 LYS CE 1 1 18 7813 1 1 32 LYS CG C 5.661 5.086 2.283 1.00 . A A . 32 LYS CG 1 1 18 7814 1 1 32 LYS H H 8.137 3.379 1.010 1.00 . A A . 32 LYS H 1 1 18 7815 1 1 32 LYS HA H 8.118 6.270 1.524 1.00 . A A . 32 LYS HA 1 1 18 7816 1 1 32 LYS HB2 H 7.160 4.037 3.324 1.00 . A A . 32 LYS HB2 1 1 18 7817 1 1 32 LYS HB3 H 7.098 5.750 3.686 1.00 . A A . 32 LYS HB3 1 1 18 7818 1 1 32 LYS HD2 H 4.844 3.759 3.729 1.00 . A A . 32 LYS HD2 1 1 18 7819 1 1 32 LYS HD3 H 4.587 5.470 4.075 1.00 . A A . 32 LYS HD3 1 1 18 7820 1 1 32 LYS HE2 H 2.994 5.611 2.249 1.00 . A A . 32 LYS HE2 1 1 18 7821 1 1 32 LYS HE3 H 3.275 3.916 1.859 1.00 . A A . 32 LYS HE3 1 1 18 7822 1 1 32 LYS HG2 H 5.480 6.091 1.931 1.00 . A A . 32 LYS HG2 1 1 18 7823 1 1 32 LYS HG3 H 5.610 4.396 1.454 1.00 . A A . 32 LYS HG3 1 1 18 7824 1 1 32 LYS HZ1 H 2.075 4.971 4.359 1.00 . A A . 32 LYS HZ1 1 1 18 7825 1 1 32 LYS HZ2 H 2.477 3.378 4.118 1.00 . A A . 32 LYS HZ2 1 1 18 7826 1 1 32 LYS HZ3 H 1.285 4.092 3.150 1.00 . A A . 32 LYS HZ3 1 1 18 7827 1 1 32 LYS N N 8.103 4.339 0.809 1.00 . A A . 32 LYS N 1 1 18 7828 1 1 32 LYS NZ N 2.199 4.250 3.621 1.00 . A A . 32 LYS NZ 1 1 18 7829 1 1 32 LYS O O 9.586 4.242 3.534 1.00 . A A . 32 LYS O 1 1 18 7830 1 1 32 LYS OXT O 10.500 5.694 2.189 1.00 . A A . 32 LYS OXT 1 1 19 7831 1 1 1 CYS C C -6.191 3.276 5.473 1.00 . A A . 1 CYS C 1 1 19 7832 1 1 1 CYS CA C -5.735 4.671 5.857 1.00 . A A . 1 CYS CA 1 1 19 7833 1 1 1 CYS CB C -4.202 4.786 5.979 1.00 . A A . 1 CYS CB 1 1 19 7834 1 1 1 CYS H1 H -6.084 6.024 7.390 1.00 . A A . 1 CYS H1 1 1 19 7835 1 1 1 CYS H2 H -6.104 4.387 7.826 1.00 . A A . 1 CYS H2 1 1 19 7836 1 1 1 CYS H3 H -7.401 5.039 6.982 1.00 . A A . 1 CYS H3 1 1 19 7837 1 1 1 CYS HA H -6.079 5.341 5.083 1.00 . A A . 1 CYS HA 1 1 19 7838 1 1 1 CYS HB2 H -3.747 4.283 5.139 1.00 . A A . 1 CYS HB2 1 1 19 7839 1 1 1 CYS HB3 H -3.927 5.830 5.947 1.00 . A A . 1 CYS HB3 1 1 19 7840 1 1 1 CYS N N -6.368 5.073 7.092 1.00 . A A . 1 CYS N 1 1 19 7841 1 1 1 CYS O O -6.896 2.608 6.253 1.00 . A A . 1 CYS O 1 1 19 7842 1 1 1 CYS SG S -3.475 4.060 7.497 1.00 . A A . 1 CYS SG 1 1 19 7843 1 1 2 ALA C C -5.235 0.493 4.226 1.00 . A A . 2 ALA C 1 1 19 7844 1 1 2 ALA CA C -6.231 1.558 3.796 1.00 . A A . 2 ALA CA 1 1 19 7845 1 1 2 ALA CB C -6.374 1.600 2.290 1.00 . A A . 2 ALA CB 1 1 19 7846 1 1 2 ALA H H -5.300 3.416 3.690 1.00 . A A . 2 ALA H 1 1 19 7847 1 1 2 ALA HA H -7.193 1.315 4.221 1.00 . A A . 2 ALA HA 1 1 19 7848 1 1 2 ALA HB1 H -7.080 2.371 2.019 1.00 . A A . 2 ALA HB1 1 1 19 7849 1 1 2 ALA HB2 H -6.729 0.648 1.928 1.00 . A A . 2 ALA HB2 1 1 19 7850 1 1 2 ALA HB3 H -5.416 1.820 1.843 1.00 . A A . 2 ALA HB3 1 1 19 7851 1 1 2 ALA N N -5.842 2.849 4.285 1.00 . A A . 2 ALA N 1 1 19 7852 1 1 2 ALA O O -4.016 0.708 4.192 1.00 . A A . 2 ALA O 1 1 19 7853 1 1 3 VAL C C -4.628 -2.629 3.893 1.00 . A A . 3 VAL C 1 1 19 7854 1 1 3 VAL CA C -4.940 -1.736 5.086 1.00 . A A . 3 VAL CA 1 1 19 7855 1 1 3 VAL CB C -5.651 -2.566 6.196 1.00 . A A . 3 VAL CB 1 1 19 7856 1 1 3 VAL CG1 C -5.953 -1.700 7.411 1.00 . A A . 3 VAL CG1 1 1 19 7857 1 1 3 VAL CG2 C -6.921 -3.233 5.669 1.00 . A A . 3 VAL CG2 1 1 19 7858 1 1 3 VAL H H -6.735 -0.714 4.646 1.00 . A A . 3 VAL H 1 1 19 7859 1 1 3 VAL HA H -4.014 -1.341 5.478 1.00 . A A . 3 VAL HA 1 1 19 7860 1 1 3 VAL HB H -4.967 -3.337 6.517 1.00 . A A . 3 VAL HB 1 1 19 7861 1 1 3 VAL HG11 H -6.587 -0.877 7.116 1.00 . A A . 3 VAL HG11 1 1 19 7862 1 1 3 VAL HG12 H -5.030 -1.315 7.820 1.00 . A A . 3 VAL HG12 1 1 19 7863 1 1 3 VAL HG13 H -6.458 -2.293 8.159 1.00 . A A . 3 VAL HG13 1 1 19 7864 1 1 3 VAL HG21 H -7.576 -2.472 5.270 1.00 . A A . 3 VAL HG21 1 1 19 7865 1 1 3 VAL HG22 H -7.419 -3.765 6.466 1.00 . A A . 3 VAL HG22 1 1 19 7866 1 1 3 VAL HG23 H -6.658 -3.920 4.878 1.00 . A A . 3 VAL HG23 1 1 19 7867 1 1 3 VAL N N -5.750 -0.622 4.651 1.00 . A A . 3 VAL N 1 1 19 7868 1 1 3 VAL O O -4.986 -2.295 2.748 1.00 . A A . 3 VAL O 1 1 19 7869 1 1 4 THR C C -4.929 -5.161 2.401 1.00 . A A . 4 THR C 1 1 19 7870 1 1 4 THR CA C -3.638 -4.663 3.082 1.00 . A A . 4 THR CA 1 1 19 7871 1 1 4 THR CB C -2.812 -5.866 3.624 1.00 . A A . 4 THR CB 1 1 19 7872 1 1 4 THR CG2 C -2.299 -6.734 2.479 1.00 . A A . 4 THR CG2 1 1 19 7873 1 1 4 THR H H -3.705 -3.961 5.056 1.00 . A A . 4 THR H 1 1 19 7874 1 1 4 THR HA H -3.046 -4.130 2.353 1.00 . A A . 4 THR HA 1 1 19 7875 1 1 4 THR HB H -3.438 -6.462 4.272 1.00 . A A . 4 THR HB 1 1 19 7876 1 1 4 THR HG1 H -1.964 -5.175 5.267 1.00 . A A . 4 THR HG1 1 1 19 7877 1 1 4 THR HG21 H -1.683 -6.134 1.824 1.00 . A A . 4 THR HG21 1 1 19 7878 1 1 4 THR HG22 H -3.137 -7.128 1.922 1.00 . A A . 4 THR HG22 1 1 19 7879 1 1 4 THR HG23 H -1.713 -7.548 2.875 1.00 . A A . 4 THR HG23 1 1 19 7880 1 1 4 THR N N -3.969 -3.743 4.137 1.00 . A A . 4 THR N 1 1 19 7881 1 1 4 THR O O -5.936 -5.434 3.080 1.00 . A A . 4 THR O 1 1 19 7882 1 1 4 THR OG1 O -1.678 -5.376 4.367 1.00 . A A . 4 THR OG1 1 1 19 7883 1 1 5 HIS C C -7.068 -4.621 -0.091 1.00 . A A . 5 HIS C 1 1 19 7884 1 1 5 HIS CA C -5.997 -5.670 0.198 1.00 . A A . 5 HIS CA 1 1 19 7885 1 1 5 HIS CB C -6.632 -7.008 0.662 1.00 . A A . 5 HIS CB 1 1 19 7886 1 1 5 HIS CD2 C -4.827 -8.660 -0.161 1.00 . A A . 5 HIS CD2 1 1 19 7887 1 1 5 HIS CE1 C -4.571 -9.831 1.641 1.00 . A A . 5 HIS CE1 1 1 19 7888 1 1 5 HIS CG C -5.670 -8.149 0.763 1.00 . A A . 5 HIS CG 1 1 19 7889 1 1 5 HIS H H -4.093 -4.825 0.638 1.00 . A A . 5 HIS H 1 1 19 7890 1 1 5 HIS HA H -5.515 -5.846 -0.753 1.00 . A A . 5 HIS HA 1 1 19 7891 1 1 5 HIS HB2 H -7.057 -6.869 1.644 1.00 . A A . 5 HIS HB2 1 1 19 7892 1 1 5 HIS HB3 H -7.416 -7.287 -0.026 1.00 . A A . 5 HIS HB3 1 1 19 7893 1 1 5 HIS HD1 H -5.971 -8.806 2.753 1.00 . A A . 5 HIS HD1 1 1 19 7894 1 1 5 HIS HD2 H -4.708 -8.304 -1.173 1.00 . A A . 5 HIS HD2 1 1 19 7895 1 1 5 HIS HE1 H -4.226 -10.567 2.353 1.00 . A A . 5 HIS HE1 1 1 19 7896 1 1 5 HIS N N -4.902 -5.182 1.070 1.00 . A A . 5 HIS N 1 1 19 7897 1 1 5 HIS ND1 N -5.496 -8.909 1.898 1.00 . A A . 5 HIS ND1 1 1 19 7898 1 1 5 HIS NE2 N -4.130 -9.727 0.396 1.00 . A A . 5 HIS NE2 1 1 19 7899 1 1 5 HIS O O -7.886 -4.816 -0.991 1.00 . A A . 5 HIS O 1 1 19 7900 1 1 6 GLU C C -7.480 -1.627 -0.796 1.00 . A A . 6 GLU C 1 1 19 7901 1 1 6 GLU CA C -8.005 -2.443 0.364 1.00 . A A . 6 GLU CA 1 1 19 7902 1 1 6 GLU CB C -8.206 -1.528 1.573 1.00 . A A . 6 GLU CB 1 1 19 7903 1 1 6 GLU CD C -9.292 -1.058 3.752 1.00 . A A . 6 GLU CD 1 1 19 7904 1 1 6 GLU CG C -8.976 -2.115 2.725 1.00 . A A . 6 GLU CG 1 1 19 7905 1 1 6 GLU H H -6.416 -3.407 1.367 1.00 . A A . 6 GLU H 1 1 19 7906 1 1 6 GLU HA H -8.949 -2.887 0.083 1.00 . A A . 6 GLU HA 1 1 19 7907 1 1 6 GLU HB2 H -7.232 -1.309 1.986 1.00 . A A . 6 GLU HB2 1 1 19 7908 1 1 6 GLU HB3 H -8.690 -0.614 1.262 1.00 . A A . 6 GLU HB3 1 1 19 7909 1 1 6 GLU HG2 H -9.899 -2.537 2.356 1.00 . A A . 6 GLU HG2 1 1 19 7910 1 1 6 GLU HG3 H -8.381 -2.885 3.191 1.00 . A A . 6 GLU HG3 1 1 19 7911 1 1 6 GLU N N -7.068 -3.523 0.643 1.00 . A A . 6 GLU N 1 1 19 7912 1 1 6 GLU O O -6.273 -1.574 -0.996 1.00 . A A . 6 GLU O 1 1 19 7913 1 1 6 GLU OE1 O -10.408 -0.511 3.733 1.00 . A A . 6 GLU OE1 1 1 19 7914 1 1 6 GLU OE2 O -8.432 -0.720 4.573 1.00 . A A . 6 GLU OE2 1 1 19 7915 1 1 7 LYS C C -7.162 0.991 -2.224 1.00 . A A . 7 LYS C 1 1 19 7916 1 1 7 LYS CA C -7.987 -0.192 -2.708 1.00 . A A . 7 LYS CA 1 1 19 7917 1 1 7 LYS CB C -9.222 0.311 -3.483 1.00 . A A . 7 LYS CB 1 1 19 7918 1 1 7 LYS CD C -11.390 1.629 -3.463 1.00 . A A . 7 LYS CD 1 1 19 7919 1 1 7 LYS CE C -12.274 0.486 -3.950 1.00 . A A . 7 LYS CE 1 1 19 7920 1 1 7 LYS CG C -10.199 1.139 -2.646 1.00 . A A . 7 LYS CG 1 1 19 7921 1 1 7 LYS H H -9.327 -1.193 -1.399 1.00 . A A . 7 LYS H 1 1 19 7922 1 1 7 LYS HA H -7.380 -0.789 -3.371 1.00 . A A . 7 LYS HA 1 1 19 7923 1 1 7 LYS HB2 H -8.881 0.927 -4.301 1.00 . A A . 7 LYS HB2 1 1 19 7924 1 1 7 LYS HB3 H -9.750 -0.539 -3.888 1.00 . A A . 7 LYS HB3 1 1 19 7925 1 1 7 LYS HD2 H -11.986 2.289 -2.850 1.00 . A A . 7 LYS HD2 1 1 19 7926 1 1 7 LYS HD3 H -11.020 2.176 -4.318 1.00 . A A . 7 LYS HD3 1 1 19 7927 1 1 7 LYS HE2 H -13.071 0.907 -4.545 1.00 . A A . 7 LYS HE2 1 1 19 7928 1 1 7 LYS HE3 H -11.687 -0.180 -4.565 1.00 . A A . 7 LYS HE3 1 1 19 7929 1 1 7 LYS HG2 H -10.564 0.532 -1.832 1.00 . A A . 7 LYS HG2 1 1 19 7930 1 1 7 LYS HG3 H -9.671 1.992 -2.247 1.00 . A A . 7 LYS HG3 1 1 19 7931 1 1 7 LYS HZ1 H -13.525 -1.008 -3.193 1.00 . A A . 7 LYS HZ1 1 1 19 7932 1 1 7 LYS HZ2 H -13.416 0.336 -2.203 1.00 . A A . 7 LYS HZ2 1 1 19 7933 1 1 7 LYS HZ3 H -12.143 -0.766 -2.276 1.00 . A A . 7 LYS HZ3 1 1 19 7934 1 1 7 LYS N N -8.375 -1.039 -1.578 1.00 . A A . 7 LYS N 1 1 19 7935 1 1 7 LYS NZ N -12.873 -0.279 -2.838 1.00 . A A . 7 LYS NZ 1 1 19 7936 1 1 7 LYS O O -7.374 1.494 -1.111 1.00 . A A . 7 LYS O 1 1 19 7937 1 1 8 CYS C C -5.616 3.729 -3.531 1.00 . A A . 8 CYS C 1 1 19 7938 1 1 8 CYS CA C -5.401 2.526 -2.646 1.00 . A A . 8 CYS CA 1 1 19 7939 1 1 8 CYS CB C -3.948 2.075 -2.732 1.00 . A A . 8 CYS CB 1 1 19 7940 1 1 8 CYS H H -6.148 1.053 -3.933 1.00 . A A . 8 CYS H 1 1 19 7941 1 1 8 CYS HA H -5.616 2.785 -1.620 1.00 . A A . 8 CYS HA 1 1 19 7942 1 1 8 CYS HB2 H -3.304 2.916 -2.516 1.00 . A A . 8 CYS HB2 1 1 19 7943 1 1 8 CYS HB3 H -3.774 1.300 -1.999 1.00 . A A . 8 CYS HB3 1 1 19 7944 1 1 8 CYS N N -6.261 1.445 -3.038 1.00 . A A . 8 CYS N 1 1 19 7945 1 1 8 CYS O O -5.753 3.602 -4.755 1.00 . A A . 8 CYS O 1 1 19 7946 1 1 8 CYS SG S -3.466 1.417 -4.365 1.00 . A A . 8 CYS SG 1 1 19 7947 1 1 9 SER C C -4.412 6.691 -3.908 1.00 . A A . 9 SER C 1 1 19 7948 1 1 9 SER CA C -5.809 6.116 -3.674 1.00 . A A . 9 SER CA 1 1 19 7949 1 1 9 SER CB C -6.645 7.095 -2.862 1.00 . A A . 9 SER CB 1 1 19 7950 1 1 9 SER H H -5.671 4.931 -1.941 1.00 . A A . 9 SER H 1 1 19 7951 1 1 9 SER HA H -6.294 5.914 -4.617 1.00 . A A . 9 SER HA 1 1 19 7952 1 1 9 SER HB2 H -6.037 7.518 -2.076 1.00 . A A . 9 SER HB2 1 1 19 7953 1 1 9 SER HB3 H -7.013 7.881 -3.504 1.00 . A A . 9 SER HB3 1 1 19 7954 1 1 9 SER HG H -7.386 5.970 -1.498 1.00 . A A . 9 SER HG 1 1 19 7955 1 1 9 SER N N -5.676 4.887 -2.926 1.00 . A A . 9 SER N 1 1 19 7956 1 1 9 SER O O -4.173 7.465 -4.837 1.00 . A A . 9 SER O 1 1 19 7957 1 1 9 SER OG O -7.760 6.418 -2.276 1.00 . A A . 9 SER OG 1 1 19 7958 1 1 10 ASP C C -1.339 5.740 -2.231 1.00 . A A . 10 ASP C 1 1 19 7959 1 1 10 ASP CA C -2.125 6.720 -3.076 1.00 . A A . 10 ASP CA 1 1 19 7960 1 1 10 ASP CB C -2.038 8.128 -2.450 1.00 . A A . 10 ASP CB 1 1 19 7961 1 1 10 ASP CG C -0.679 8.781 -2.577 1.00 . A A . 10 ASP CG 1 1 19 7962 1 1 10 ASP H H -3.718 5.583 -2.395 1.00 . A A . 10 ASP H 1 1 19 7963 1 1 10 ASP HA H -1.766 6.740 -4.094 1.00 . A A . 10 ASP HA 1 1 19 7964 1 1 10 ASP HB2 H -2.765 8.773 -2.919 1.00 . A A . 10 ASP HB2 1 1 19 7965 1 1 10 ASP HB3 H -2.270 8.037 -1.400 1.00 . A A . 10 ASP HB3 1 1 19 7966 1 1 10 ASP N N -3.493 6.264 -3.063 1.00 . A A . 10 ASP N 1 1 19 7967 1 1 10 ASP O O -1.938 4.963 -1.488 1.00 . A A . 10 ASP O 1 1 19 7968 1 1 10 ASP OD1 O 0.223 8.477 -1.777 1.00 . A A . 10 ASP OD1 1 1 19 7969 1 1 10 ASP OD2 O -0.501 9.633 -3.453 1.00 . A A . 10 ASP OD2 1 1 19 7970 1 1 11 ASP C C 0.744 5.274 -0.073 1.00 . A A . 11 ASP C 1 1 19 7971 1 1 11 ASP CA C 0.832 4.891 -1.540 1.00 . A A . 11 ASP CA 1 1 19 7972 1 1 11 ASP CB C 2.299 4.995 -1.990 1.00 . A A . 11 ASP CB 1 1 19 7973 1 1 11 ASP CG C 2.528 4.655 -3.445 1.00 . A A . 11 ASP CG 1 1 19 7974 1 1 11 ASP H H 0.341 6.415 -2.960 1.00 . A A . 11 ASP H 1 1 19 7975 1 1 11 ASP HA H 0.491 3.874 -1.662 1.00 . A A . 11 ASP HA 1 1 19 7976 1 1 11 ASP HB2 H 2.645 6.004 -1.826 1.00 . A A . 11 ASP HB2 1 1 19 7977 1 1 11 ASP HB3 H 2.893 4.325 -1.385 1.00 . A A . 11 ASP HB3 1 1 19 7978 1 1 11 ASP N N -0.038 5.767 -2.329 1.00 . A A . 11 ASP N 1 1 19 7979 1 1 11 ASP O O 0.711 4.423 0.809 1.00 . A A . 11 ASP O 1 1 19 7980 1 1 11 ASP OD1 O 2.571 3.463 -3.803 1.00 . A A . 11 ASP OD1 1 1 19 7981 1 1 11 ASP OD2 O 2.677 5.592 -4.259 1.00 . A A . 11 ASP OD2 1 1 19 7982 1 1 12 TYR C C -0.857 7.038 2.077 1.00 . A A . 12 TYR C 1 1 19 7983 1 1 12 TYR CA C 0.577 7.073 1.554 1.00 . A A . 12 TYR CA 1 1 19 7984 1 1 12 TYR CB C 1.176 8.481 1.645 1.00 . A A . 12 TYR CB 1 1 19 7985 1 1 12 TYR CD1 C 3.661 8.126 1.953 1.00 . A A . 12 TYR CD1 1 1 19 7986 1 1 12 TYR CD2 C 2.905 9.038 -0.110 1.00 . A A . 12 TYR CD2 1 1 19 7987 1 1 12 TYR CE1 C 4.965 8.173 1.496 1.00 . A A . 12 TYR CE1 1 1 19 7988 1 1 12 TYR CE2 C 4.203 9.093 -0.570 1.00 . A A . 12 TYR CE2 1 1 19 7989 1 1 12 TYR CG C 2.608 8.555 1.156 1.00 . A A . 12 TYR CG 1 1 19 7990 1 1 12 TYR CZ C 5.228 8.657 0.234 1.00 . A A . 12 TYR CZ 1 1 19 7991 1 1 12 TYR H H 0.588 7.211 -0.563 1.00 . A A . 12 TYR H 1 1 19 7992 1 1 12 TYR HA H 1.163 6.401 2.162 1.00 . A A . 12 TYR HA 1 1 19 7993 1 1 12 TYR HB2 H 0.585 9.154 1.043 1.00 . A A . 12 TYR HB2 1 1 19 7994 1 1 12 TYR HB3 H 1.154 8.813 2.673 1.00 . A A . 12 TYR HB3 1 1 19 7995 1 1 12 TYR HD1 H 3.451 7.746 2.941 1.00 . A A . 12 TYR HD1 1 1 19 7996 1 1 12 TYR HD2 H 2.097 9.381 -0.740 1.00 . A A . 12 TYR HD2 1 1 19 7997 1 1 12 TYR HE1 H 5.772 7.836 2.129 1.00 . A A . 12 TYR HE1 1 1 19 7998 1 1 12 TYR HE2 H 4.411 9.473 -1.559 1.00 . A A . 12 TYR HE2 1 1 19 7999 1 1 12 TYR HH H 6.928 7.838 -0.040 1.00 . A A . 12 TYR HH 1 1 19 8000 1 1 12 TYR N N 0.636 6.568 0.185 1.00 . A A . 12 TYR N 1 1 19 8001 1 1 12 TYR O O -1.139 7.418 3.218 1.00 . A A . 12 TYR O 1 1 19 8002 1 1 12 TYR OH O 6.521 8.694 -0.229 1.00 . A A . 12 TYR OH 1 1 19 8003 1 1 13 ASP C C -3.292 4.972 2.207 1.00 . A A . 13 ASP C 1 1 19 8004 1 1 13 ASP CA C -3.159 6.352 1.575 1.00 . A A . 13 ASP CA 1 1 19 8005 1 1 13 ASP CB C -4.023 6.474 0.301 1.00 . A A . 13 ASP CB 1 1 19 8006 1 1 13 ASP CG C -5.514 6.253 0.496 1.00 . A A . 13 ASP CG 1 1 19 8007 1 1 13 ASP H H -1.450 6.308 0.329 1.00 . A A . 13 ASP H 1 1 19 8008 1 1 13 ASP HA H -3.447 7.105 2.293 1.00 . A A . 13 ASP HA 1 1 19 8009 1 1 13 ASP HB2 H -3.896 7.463 -0.109 1.00 . A A . 13 ASP HB2 1 1 19 8010 1 1 13 ASP HB3 H -3.663 5.756 -0.423 1.00 . A A . 13 ASP HB3 1 1 19 8011 1 1 13 ASP N N -1.751 6.554 1.230 1.00 . A A . 13 ASP N 1 1 19 8012 1 1 13 ASP O O -4.296 4.629 2.829 1.00 . A A . 13 ASP O 1 1 19 8013 1 1 13 ASP OD1 O -6.154 7.024 1.254 1.00 . A A . 13 ASP OD1 1 1 19 8014 1 1 13 ASP OD2 O -6.090 5.367 -0.186 1.00 . A A . 13 ASP OD2 1 1 19 8015 1 1 14 CYS C C -1.420 2.962 3.971 1.00 . A A . 14 CYS C 1 1 19 8016 1 1 14 CYS CA C -2.134 2.890 2.637 1.00 . A A . 14 CYS CA 1 1 19 8017 1 1 14 CYS CB C -1.353 1.993 1.691 1.00 . A A . 14 CYS CB 1 1 19 8018 1 1 14 CYS H H -1.463 4.545 1.569 1.00 . A A . 14 CYS H 1 1 19 8019 1 1 14 CYS HA H -3.127 2.486 2.768 1.00 . A A . 14 CYS HA 1 1 19 8020 1 1 14 CYS HB2 H -0.347 2.373 1.588 1.00 . A A . 14 CYS HB2 1 1 19 8021 1 1 14 CYS HB3 H -1.321 0.997 2.107 1.00 . A A . 14 CYS HB3 1 1 19 8022 1 1 14 CYS N N -2.232 4.208 2.075 1.00 . A A . 14 CYS N 1 1 19 8023 1 1 14 CYS O O -0.540 3.807 4.163 1.00 . A A . 14 CYS O 1 1 19 8024 1 1 14 CYS SG S -2.079 1.884 0.038 1.00 . A A . 14 CYS SG 1 1 19 8025 1 1 15 CYS C C 0.137 1.273 6.131 1.00 . A A . 15 CYS C 1 1 19 8026 1 1 15 CYS CA C -1.195 2.038 6.202 1.00 . A A . 15 CYS CA 1 1 19 8027 1 1 15 CYS CB C -2.145 1.322 7.165 1.00 . A A . 15 CYS CB 1 1 19 8028 1 1 15 CYS H H -2.540 1.488 4.676 1.00 . A A . 15 CYS H 1 1 19 8029 1 1 15 CYS HA H -1.024 3.043 6.557 1.00 . A A . 15 CYS HA 1 1 19 8030 1 1 15 CYS HB2 H -2.293 0.314 6.807 1.00 . A A . 15 CYS HB2 1 1 19 8031 1 1 15 CYS HB3 H -1.696 1.295 8.146 1.00 . A A . 15 CYS HB3 1 1 19 8032 1 1 15 CYS N N -1.803 2.108 4.883 1.00 . A A . 15 CYS N 1 1 19 8033 1 1 15 CYS O O 0.485 0.727 5.076 1.00 . A A . 15 CYS O 1 1 19 8034 1 1 15 CYS SG S -3.803 2.068 7.327 1.00 . A A . 15 CYS SG 1 1 19 8035 1 1 16 GLY C C 3.139 0.874 6.261 1.00 . A A . 16 GLY C 1 1 19 8036 1 1 16 GLY CA C 2.129 0.518 7.330 1.00 . A A . 16 GLY CA 1 1 19 8037 1 1 16 GLY H H 0.599 1.795 8.012 1.00 . A A . 16 GLY H 1 1 19 8038 1 1 16 GLY HA2 H 2.574 0.696 8.297 1.00 . A A . 16 GLY HA2 1 1 19 8039 1 1 16 GLY HA3 H 1.894 -0.533 7.250 1.00 . A A . 16 GLY HA3 1 1 19 8040 1 1 16 GLY N N 0.885 1.270 7.235 1.00 . A A . 16 GLY N 1 1 19 8041 1 1 16 GLY O O 3.252 2.036 5.856 1.00 . A A . 16 GLY O 1 1 19 8042 1 1 17 SER C C 4.253 -0.409 3.409 1.00 . A A . 17 SER C 1 1 19 8043 1 1 17 SER CA C 4.823 0.051 4.752 1.00 . A A . 17 SER CA 1 1 19 8044 1 1 17 SER CB C 6.058 -0.744 5.152 1.00 . A A . 17 SER CB 1 1 19 8045 1 1 17 SER H H 3.720 -1.030 6.120 1.00 . A A . 17 SER H 1 1 19 8046 1 1 17 SER HA H 5.082 1.096 4.690 1.00 . A A . 17 SER HA 1 1 19 8047 1 1 17 SER HB2 H 6.660 -0.937 4.276 1.00 . A A . 17 SER HB2 1 1 19 8048 1 1 17 SER HB3 H 6.633 -0.182 5.873 1.00 . A A . 17 SER HB3 1 1 19 8049 1 1 17 SER HG H 6.347 -2.186 6.404 1.00 . A A . 17 SER HG 1 1 19 8050 1 1 17 SER N N 3.836 -0.112 5.786 1.00 . A A . 17 SER N 1 1 19 8051 1 1 17 SER O O 4.984 -0.751 2.475 1.00 . A A . 17 SER O 1 1 19 8052 1 1 17 SER OG O 5.677 -1.988 5.736 1.00 . A A . 17 SER OG 1 1 19 8053 1 1 18 LEU C C 2.265 0.342 1.113 1.00 . A A . 18 LEU C 1 1 19 8054 1 1 18 LEU CA C 2.231 -0.775 2.127 1.00 . A A . 18 LEU CA 1 1 19 8055 1 1 18 LEU CB C 0.782 -1.090 2.449 1.00 . A A . 18 LEU CB 1 1 19 8056 1 1 18 LEU CD1 C -0.948 -2.252 3.771 1.00 . A A . 18 LEU CD1 1 1 19 8057 1 1 18 LEU CD2 C 1.117 -3.474 3.133 1.00 . A A . 18 LEU CD2 1 1 19 8058 1 1 18 LEU CG C 0.530 -2.131 3.525 1.00 . A A . 18 LEU CG 1 1 19 8059 1 1 18 LEU H H 2.415 -0.057 4.087 1.00 . A A . 18 LEU H 1 1 19 8060 1 1 18 LEU HA H 2.698 -1.659 1.717 1.00 . A A . 18 LEU HA 1 1 19 8061 1 1 18 LEU HB2 H 0.313 -0.170 2.767 1.00 . A A . 18 LEU HB2 1 1 19 8062 1 1 18 LEU HB3 H 0.300 -1.419 1.541 1.00 . A A . 18 LEU HB3 1 1 19 8063 1 1 18 LEU HD11 H -1.133 -3.005 4.522 1.00 . A A . 18 LEU HD11 1 1 19 8064 1 1 18 LEU HD12 H -1.436 -2.533 2.848 1.00 . A A . 18 LEU HD12 1 1 19 8065 1 1 18 LEU HD13 H -1.338 -1.303 4.108 1.00 . A A . 18 LEU HD13 1 1 19 8066 1 1 18 LEU HD21 H 0.674 -3.809 2.208 1.00 . A A . 18 LEU HD21 1 1 19 8067 1 1 18 LEU HD22 H 0.907 -4.188 3.915 1.00 . A A . 18 LEU HD22 1 1 19 8068 1 1 18 LEU HD23 H 2.186 -3.378 3.013 1.00 . A A . 18 LEU HD23 1 1 19 8069 1 1 18 LEU HG H 0.996 -1.807 4.445 1.00 . A A . 18 LEU HG 1 1 19 8070 1 1 18 LEU N N 2.935 -0.377 3.320 1.00 . A A . 18 LEU N 1 1 19 8071 1 1 18 LEU O O 2.299 1.526 1.476 1.00 . A A . 18 LEU O 1 1 19 8072 1 1 19 CYS C C 1.035 0.661 -2.085 1.00 . A A . 19 CYS C 1 1 19 8073 1 1 19 CYS CA C 2.251 0.898 -1.209 1.00 . A A . 19 CYS CA 1 1 19 8074 1 1 19 CYS CB C 3.552 0.759 -1.993 1.00 . A A . 19 CYS CB 1 1 19 8075 1 1 19 CYS H H 2.184 -0.981 -0.357 1.00 . A A . 19 CYS H 1 1 19 8076 1 1 19 CYS HA H 2.192 1.894 -0.794 1.00 . A A . 19 CYS HA 1 1 19 8077 1 1 19 CYS HB2 H 3.645 -0.252 -2.361 1.00 . A A . 19 CYS HB2 1 1 19 8078 1 1 19 CYS HB3 H 3.534 1.447 -2.824 1.00 . A A . 19 CYS HB3 1 1 19 8079 1 1 19 CYS N N 2.235 -0.027 -0.124 1.00 . A A . 19 CYS N 1 1 19 8080 1 1 19 CYS O O 0.260 -0.287 -1.847 1.00 . A A . 19 CYS O 1 1 19 8081 1 1 19 CYS SG S 5.028 1.135 -0.995 1.00 . A A . 19 CYS SG 1 1 19 8082 1 1 20 CYS C C -0.031 0.627 -5.183 1.00 . A A . 20 CYS C 1 1 19 8083 1 1 20 CYS CA C -0.308 1.408 -3.902 1.00 . A A . 20 CYS CA 1 1 19 8084 1 1 20 CYS CB C -0.798 2.817 -4.228 1.00 . A A . 20 CYS CB 1 1 19 8085 1 1 20 CYS H H 1.529 2.175 -3.292 1.00 . A A . 20 CYS H 1 1 19 8086 1 1 20 CYS HA H -1.083 0.903 -3.344 1.00 . A A . 20 CYS HA 1 1 19 8087 1 1 20 CYS HB2 H -0.971 3.351 -3.306 1.00 . A A . 20 CYS HB2 1 1 19 8088 1 1 20 CYS HB3 H -0.034 3.328 -4.792 1.00 . A A . 20 CYS HB3 1 1 19 8089 1 1 20 CYS N N 0.855 1.484 -3.078 1.00 . A A . 20 CYS N 1 1 19 8090 1 1 20 CYS O O 0.832 1.004 -5.988 1.00 . A A . 20 CYS O 1 1 19 8091 1 1 20 CYS SG S -2.341 2.881 -5.188 1.00 . A A . 20 CYS SG 1 1 19 8092 1 1 21 VAL C C -2.100 -1.697 -6.937 1.00 . A A . 21 VAL C 1 1 19 8093 1 1 21 VAL CA C -0.673 -1.304 -6.543 1.00 . A A . 21 VAL CA 1 1 19 8094 1 1 21 VAL CB C 0.213 -2.585 -6.323 1.00 . A A . 21 VAL CB 1 1 19 8095 1 1 21 VAL CG1 C 1.679 -2.214 -6.180 1.00 . A A . 21 VAL CG1 1 1 19 8096 1 1 21 VAL CG2 C -0.231 -3.376 -5.098 1.00 . A A . 21 VAL CG2 1 1 19 8097 1 1 21 VAL H H -1.349 -0.747 -4.626 1.00 . A A . 21 VAL H 1 1 19 8098 1 1 21 VAL HA H -0.249 -0.698 -7.330 1.00 . A A . 21 VAL HA 1 1 19 8099 1 1 21 VAL HB H 0.108 -3.212 -7.196 1.00 . A A . 21 VAL HB 1 1 19 8100 1 1 21 VAL HG11 H 2.266 -3.108 -6.033 1.00 . A A . 21 VAL HG11 1 1 19 8101 1 1 21 VAL HG12 H 1.801 -1.558 -5.331 1.00 . A A . 21 VAL HG12 1 1 19 8102 1 1 21 VAL HG13 H 2.009 -1.707 -7.074 1.00 . A A . 21 VAL HG13 1 1 19 8103 1 1 21 VAL HG21 H -1.262 -3.676 -5.218 1.00 . A A . 21 VAL HG21 1 1 19 8104 1 1 21 VAL HG22 H -0.137 -2.758 -4.217 1.00 . A A . 21 VAL HG22 1 1 19 8105 1 1 21 VAL HG23 H 0.390 -4.253 -4.994 1.00 . A A . 21 VAL HG23 1 1 19 8106 1 1 21 VAL N N -0.741 -0.467 -5.348 1.00 . A A . 21 VAL N 1 1 19 8107 1 1 21 VAL O O -2.397 -2.844 -7.279 1.00 . A A . 21 VAL O 1 1 19 8108 1 1 22 GLY C C -5.058 -1.145 -5.754 1.00 . A A . 22 GLY C 1 1 19 8109 1 1 22 GLY CA C -4.407 -0.948 -7.091 1.00 . A A . 22 GLY CA 1 1 19 8110 1 1 22 GLY H H -2.685 0.181 -6.633 1.00 . A A . 22 GLY H 1 1 19 8111 1 1 22 GLY HA2 H -4.832 -0.090 -7.589 1.00 . A A . 22 GLY HA2 1 1 19 8112 1 1 22 GLY HA3 H -4.548 -1.835 -7.688 1.00 . A A . 22 GLY HA3 1 1 19 8113 1 1 22 GLY N N -2.986 -0.722 -6.863 1.00 . A A . 22 GLY N 1 1 19 8114 1 1 22 GLY O O -6.080 -0.539 -5.419 1.00 . A A . 22 GLY O 1 1 19 8115 1 1 23 ILE C C -3.500 -1.919 -2.810 1.00 . A A . 23 ILE C 1 1 19 8116 1 1 23 ILE CA C -4.739 -2.207 -3.621 1.00 . A A . 23 ILE CA 1 1 19 8117 1 1 23 ILE CB C -5.192 -3.672 -3.363 1.00 . A A . 23 ILE CB 1 1 19 8118 1 1 23 ILE CD1 C -4.439 -6.129 -3.555 1.00 . A A . 23 ILE CD1 1 1 19 8119 1 1 23 ILE CG1 C -4.119 -4.675 -3.846 1.00 . A A . 23 ILE CG1 1 1 19 8120 1 1 23 ILE CG2 C -6.536 -3.937 -4.024 1.00 . A A . 23 ILE CG2 1 1 19 8121 1 1 23 ILE H H -3.636 -2.427 -5.363 1.00 . A A . 23 ILE H 1 1 19 8122 1 1 23 ILE HA H -5.523 -1.526 -3.324 1.00 . A A . 23 ILE HA 1 1 19 8123 1 1 23 ILE HB H -5.325 -3.790 -2.298 1.00 . A A . 23 ILE HB 1 1 19 8124 1 1 23 ILE HD11 H -3.655 -6.755 -3.956 1.00 . A A . 23 ILE HD11 1 1 19 8125 1 1 23 ILE HD12 H -5.383 -6.392 -4.008 1.00 . A A . 23 ILE HD12 1 1 19 8126 1 1 23 ILE HD13 H -4.498 -6.276 -2.487 1.00 . A A . 23 ILE HD13 1 1 19 8127 1 1 23 ILE HG12 H -4.009 -4.575 -4.915 1.00 . A A . 23 ILE HG12 1 1 19 8128 1 1 23 ILE HG13 H -3.178 -4.435 -3.373 1.00 . A A . 23 ILE HG13 1 1 19 8129 1 1 23 ILE HG21 H -7.279 -3.271 -3.613 1.00 . A A . 23 ILE HG21 1 1 19 8130 1 1 23 ILE HG22 H -6.828 -4.961 -3.840 1.00 . A A . 23 ILE HG22 1 1 19 8131 1 1 23 ILE HG23 H -6.450 -3.770 -5.087 1.00 . A A . 23 ILE HG23 1 1 19 8132 1 1 23 ILE N N -4.412 -1.966 -4.982 1.00 . A A . 23 ILE N 1 1 19 8133 1 1 23 ILE O O -2.404 -1.785 -3.377 1.00 . A A . 23 ILE O 1 1 19 8134 1 1 24 CYS C C -1.858 -2.901 -0.402 1.00 . A A . 24 CYS C 1 1 19 8135 1 1 24 CYS CA C -2.548 -1.583 -0.669 1.00 . A A . 24 CYS CA 1 1 19 8136 1 1 24 CYS CB C -3.004 -0.922 0.616 1.00 . A A . 24 CYS CB 1 1 19 8137 1 1 24 CYS H H -4.570 -1.782 -1.176 1.00 . A A . 24 CYS H 1 1 19 8138 1 1 24 CYS HA H -1.852 -0.927 -1.171 1.00 . A A . 24 CYS HA 1 1 19 8139 1 1 24 CYS HB2 H -3.758 -1.538 1.084 1.00 . A A . 24 CYS HB2 1 1 19 8140 1 1 24 CYS HB3 H -2.161 -0.817 1.284 1.00 . A A . 24 CYS HB3 1 1 19 8141 1 1 24 CYS N N -3.656 -1.782 -1.545 1.00 . A A . 24 CYS N 1 1 19 8142 1 1 24 CYS O O -2.464 -3.846 0.139 1.00 . A A . 24 CYS O 1 1 19 8143 1 1 24 CYS SG S -3.711 0.726 0.345 1.00 . A A . 24 CYS SG 1 1 19 8144 1 1 25 ALA C C 1.639 -3.681 -0.645 1.00 . A A . 25 ALA C 1 1 19 8145 1 1 25 ALA CA C 0.203 -4.143 -0.686 1.00 . A A . 25 ALA CA 1 1 19 8146 1 1 25 ALA CB C -0.018 -5.108 -1.846 1.00 . A A . 25 ALA CB 1 1 19 8147 1 1 25 ALA H H -0.224 -2.190 -1.271 1.00 . A A . 25 ALA H 1 1 19 8148 1 1 25 ALA HA H -0.051 -4.631 0.244 1.00 . A A . 25 ALA HA 1 1 19 8149 1 1 25 ALA HB1 H 0.211 -4.609 -2.775 1.00 . A A . 25 ALA HB1 1 1 19 8150 1 1 25 ALA HB2 H -1.049 -5.432 -1.856 1.00 . A A . 25 ALA HB2 1 1 19 8151 1 1 25 ALA HB3 H 0.628 -5.967 -1.731 1.00 . A A . 25 ALA HB3 1 1 19 8152 1 1 25 ALA N N -0.624 -2.977 -0.833 1.00 . A A . 25 ALA N 1 1 19 8153 1 1 25 ALA O O 1.945 -2.577 -1.096 1.00 . A A . 25 ALA O 1 1 19 8154 1 1 26 LYS C C 4.673 -4.540 -1.197 1.00 . A A . 26 LYS C 1 1 19 8155 1 1 26 LYS CA C 3.880 -4.103 0.021 1.00 . A A . 26 LYS CA 1 1 19 8156 1 1 26 LYS CB C 4.482 -4.706 1.289 1.00 . A A . 26 LYS CB 1 1 19 8157 1 1 26 LYS CD C 6.496 -4.944 2.801 1.00 . A A . 26 LYS CD 1 1 19 8158 1 1 26 LYS CE C 5.697 -4.632 4.054 1.00 . A A . 26 LYS CE 1 1 19 8159 1 1 26 LYS CG C 5.914 -4.259 1.572 1.00 . A A . 26 LYS CG 1 1 19 8160 1 1 26 LYS H H 2.211 -5.373 0.177 1.00 . A A . 26 LYS H 1 1 19 8161 1 1 26 LYS HA H 3.922 -3.026 0.097 1.00 . A A . 26 LYS HA 1 1 19 8162 1 1 26 LYS HB2 H 3.862 -4.420 2.125 1.00 . A A . 26 LYS HB2 1 1 19 8163 1 1 26 LYS HB3 H 4.471 -5.783 1.199 1.00 . A A . 26 LYS HB3 1 1 19 8164 1 1 26 LYS HD2 H 6.493 -6.012 2.640 1.00 . A A . 26 LYS HD2 1 1 19 8165 1 1 26 LYS HD3 H 7.512 -4.607 2.938 1.00 . A A . 26 LYS HD3 1 1 19 8166 1 1 26 LYS HE2 H 5.707 -3.565 4.221 1.00 . A A . 26 LYS HE2 1 1 19 8167 1 1 26 LYS HE3 H 4.681 -4.961 3.899 1.00 . A A . 26 LYS HE3 1 1 19 8168 1 1 26 LYS HG2 H 6.528 -4.500 0.717 1.00 . A A . 26 LYS HG2 1 1 19 8169 1 1 26 LYS HG3 H 5.920 -3.191 1.727 1.00 . A A . 26 LYS HG3 1 1 19 8170 1 1 26 LYS HZ1 H 6.279 -6.337 5.114 1.00 . A A . 26 LYS HZ1 1 1 19 8171 1 1 26 LYS HZ2 H 5.644 -5.122 6.078 1.00 . A A . 26 LYS HZ2 1 1 19 8172 1 1 26 LYS HZ3 H 7.203 -4.968 5.470 1.00 . A A . 26 LYS HZ3 1 1 19 8173 1 1 26 LYS N N 2.502 -4.482 -0.114 1.00 . A A . 26 LYS N 1 1 19 8174 1 1 26 LYS NZ N 6.245 -5.307 5.249 1.00 . A A . 26 LYS NZ 1 1 19 8175 1 1 26 LYS O O 4.724 -5.733 -1.527 1.00 . A A . 26 LYS O 1 1 19 8176 1 1 27 THR C C 7.490 -4.314 -2.498 1.00 . A A . 27 THR C 1 1 19 8177 1 1 27 THR CA C 6.120 -3.821 -2.983 1.00 . A A . 27 THR CA 1 1 19 8178 1 1 27 THR CB C 6.264 -2.495 -3.725 1.00 . A A . 27 THR CB 1 1 19 8179 1 1 27 THR CG2 C 5.033 -2.208 -4.565 1.00 . A A . 27 THR CG2 1 1 19 8180 1 1 27 THR H H 5.186 -2.646 -1.589 1.00 . A A . 27 THR H 1 1 19 8181 1 1 27 THR HA H 5.662 -4.546 -3.639 1.00 . A A . 27 THR HA 1 1 19 8182 1 1 27 THR HB H 7.139 -2.534 -4.354 1.00 . A A . 27 THR HB 1 1 19 8183 1 1 27 THR HG1 H 7.245 -0.979 -2.921 1.00 . A A . 27 THR HG1 1 1 19 8184 1 1 27 THR HG21 H 4.904 -2.991 -5.298 1.00 . A A . 27 THR HG21 1 1 19 8185 1 1 27 THR HG22 H 5.153 -1.259 -5.067 1.00 . A A . 27 THR HG22 1 1 19 8186 1 1 27 THR HG23 H 4.163 -2.169 -3.926 1.00 . A A . 27 THR HG23 1 1 19 8187 1 1 27 THR N N 5.273 -3.589 -1.849 1.00 . A A . 27 THR N 1 1 19 8188 1 1 27 THR O O 7.701 -4.447 -1.284 1.00 . A A . 27 THR O 1 1 19 8189 1 1 27 THR OG1 O 6.422 -1.456 -2.742 1.00 . A A . 27 THR OG1 1 1 19 8190 1 1 28 ILE C C 10.486 -3.847 -2.398 1.00 . A A . 28 ILE C 1 1 19 8191 1 1 28 ILE CA C 9.736 -5.033 -2.989 1.00 . A A . 28 ILE CA 1 1 19 8192 1 1 28 ILE CB C 10.553 -5.674 -4.145 1.00 . A A . 28 ILE CB 1 1 19 8193 1 1 28 ILE CD1 C 10.530 -7.607 -5.825 1.00 . A A . 28 ILE CD1 1 1 19 8194 1 1 28 ILE CG1 C 9.815 -6.906 -4.688 1.00 . A A . 28 ILE CG1 1 1 19 8195 1 1 28 ILE CG2 C 11.954 -6.063 -3.659 1.00 . A A . 28 ILE CG2 1 1 19 8196 1 1 28 ILE H H 8.193 -4.514 -4.360 1.00 . A A . 28 ILE H 1 1 19 8197 1 1 28 ILE HA H 9.595 -5.759 -2.203 1.00 . A A . 28 ILE HA 1 1 19 8198 1 1 28 ILE HB H 10.655 -4.948 -4.938 1.00 . A A . 28 ILE HB 1 1 19 8199 1 1 28 ILE HD11 H 9.964 -8.478 -6.121 1.00 . A A . 28 ILE HD11 1 1 19 8200 1 1 28 ILE HD12 H 11.514 -7.908 -5.500 1.00 . A A . 28 ILE HD12 1 1 19 8201 1 1 28 ILE HD13 H 10.617 -6.933 -6.663 1.00 . A A . 28 ILE HD13 1 1 19 8202 1 1 28 ILE HG12 H 9.693 -7.624 -3.889 1.00 . A A . 28 ILE HG12 1 1 19 8203 1 1 28 ILE HG13 H 8.840 -6.605 -5.039 1.00 . A A . 28 ILE HG13 1 1 19 8204 1 1 28 ILE HG21 H 12.505 -6.511 -4.472 1.00 . A A . 28 ILE HG21 1 1 19 8205 1 1 28 ILE HG22 H 11.869 -6.773 -2.848 1.00 . A A . 28 ILE HG22 1 1 19 8206 1 1 28 ILE HG23 H 12.473 -5.181 -3.312 1.00 . A A . 28 ILE HG23 1 1 19 8207 1 1 28 ILE N N 8.407 -4.601 -3.406 1.00 . A A . 28 ILE N 1 1 19 8208 1 1 28 ILE O O 11.077 -3.937 -1.321 1.00 . A A . 28 ILE O 1 1 19 8209 1 1 29 ALA C C 9.900 -0.631 -2.073 1.00 . A A . 29 ALA C 1 1 19 8210 1 1 29 ALA CA C 10.997 -1.527 -2.610 1.00 . A A . 29 ALA CA 1 1 19 8211 1 1 29 ALA CB C 11.750 -0.839 -3.723 1.00 . A A . 29 ALA CB 1 1 19 8212 1 1 29 ALA H H 9.907 -2.712 -3.916 1.00 . A A . 29 ALA H 1 1 19 8213 1 1 29 ALA HA H 11.686 -1.777 -1.816 1.00 . A A . 29 ALA HA 1 1 19 8214 1 1 29 ALA HB1 H 12.192 0.066 -3.332 1.00 . A A . 29 ALA HB1 1 1 19 8215 1 1 29 ALA HB2 H 11.069 -0.594 -4.525 1.00 . A A . 29 ALA HB2 1 1 19 8216 1 1 29 ALA HB3 H 12.529 -1.491 -4.088 1.00 . A A . 29 ALA HB3 1 1 19 8217 1 1 29 ALA N N 10.405 -2.737 -3.071 1.00 . A A . 29 ALA N 1 1 19 8218 1 1 29 ALA O O 8.915 -0.344 -2.786 1.00 . A A . 29 ALA O 1 1 19 8219 1 1 30 PRO C C 8.963 2.023 -0.770 1.00 . A A . 30 PRO C 1 1 19 8220 1 1 30 PRO CA C 9.021 0.620 -0.184 1.00 . A A . 30 PRO CA 1 1 19 8221 1 1 30 PRO CB C 9.461 0.662 1.281 1.00 . A A . 30 PRO CB 1 1 19 8222 1 1 30 PRO CD C 11.183 -0.447 0.055 1.00 . A A . 30 PRO CD 1 1 19 8223 1 1 30 PRO CG C 10.930 0.443 1.234 1.00 . A A . 30 PRO CG 1 1 19 8224 1 1 30 PRO HA H 8.044 0.165 -0.256 1.00 . A A . 30 PRO HA 1 1 19 8225 1 1 30 PRO HB2 H 9.215 1.624 1.705 1.00 . A A . 30 PRO HB2 1 1 19 8226 1 1 30 PRO HB3 H 8.964 -0.121 1.835 1.00 . A A . 30 PRO HB3 1 1 19 8227 1 1 30 PRO HD2 H 12.098 -0.152 -0.435 1.00 . A A . 30 PRO HD2 1 1 19 8228 1 1 30 PRO HD3 H 11.228 -1.487 0.343 1.00 . A A . 30 PRO HD3 1 1 19 8229 1 1 30 PRO HG2 H 11.434 1.389 1.101 1.00 . A A . 30 PRO HG2 1 1 19 8230 1 1 30 PRO HG3 H 11.265 -0.034 2.144 1.00 . A A . 30 PRO HG3 1 1 19 8231 1 1 30 PRO N N 10.026 -0.196 -0.825 1.00 . A A . 30 PRO N 1 1 19 8232 1 1 30 PRO O O 9.991 2.639 -1.084 1.00 . A A . 30 PRO O 1 1 19 8233 1 1 31 CYS C C 7.647 4.858 -0.311 1.00 . A A . 31 CYS C 1 1 19 8234 1 1 31 CYS CA C 7.495 3.830 -1.431 1.00 . A A . 31 CYS CA 1 1 19 8235 1 1 31 CYS CB C 6.066 3.829 -1.946 1.00 . A A . 31 CYS CB 1 1 19 8236 1 1 31 CYS H H 6.987 1.952 -0.698 1.00 . A A . 31 CYS H 1 1 19 8237 1 1 31 CYS HA H 8.166 4.048 -2.246 1.00 . A A . 31 CYS HA 1 1 19 8238 1 1 31 CYS HB2 H 5.761 4.841 -2.167 1.00 . A A . 31 CYS HB2 1 1 19 8239 1 1 31 CYS HB3 H 5.999 3.224 -2.839 1.00 . A A . 31 CYS HB3 1 1 19 8240 1 1 31 CYS N N 7.771 2.506 -0.918 1.00 . A A . 31 CYS N 1 1 19 8241 1 1 31 CYS O O 7.603 6.078 -0.531 1.00 . A A . 31 CYS O 1 1 19 8242 1 1 31 CYS SG S 4.899 3.144 -0.722 1.00 . A A . 31 CYS SG 1 1 19 8243 1 1 32 LYS C C 9.359 4.942 2.584 1.00 . A A . 32 LYS C 1 1 19 8244 1 1 32 LYS CA C 7.965 5.174 2.038 1.00 . A A . 32 LYS CA 1 1 19 8245 1 1 32 LYS CB C 6.912 4.778 3.076 1.00 . A A . 32 LYS CB 1 1 19 8246 1 1 32 LYS CD C 4.518 4.307 3.611 1.00 . A A . 32 LYS CD 1 1 19 8247 1 1 32 LYS CE C 3.106 4.187 3.077 1.00 . A A . 32 LYS CE 1 1 19 8248 1 1 32 LYS CG C 5.488 4.740 2.541 1.00 . A A . 32 LYS CG 1 1 19 8249 1 1 32 LYS H H 7.884 3.389 0.988 1.00 . A A . 32 LYS H 1 1 19 8250 1 1 32 LYS HA H 7.835 6.210 1.763 1.00 . A A . 32 LYS HA 1 1 19 8251 1 1 32 LYS HB2 H 7.150 3.793 3.447 1.00 . A A . 32 LYS HB2 1 1 19 8252 1 1 32 LYS HB3 H 6.949 5.481 3.895 1.00 . A A . 32 LYS HB3 1 1 19 8253 1 1 32 LYS HD2 H 4.825 3.342 3.987 1.00 . A A . 32 LYS HD2 1 1 19 8254 1 1 32 LYS HD3 H 4.534 5.029 4.413 1.00 . A A . 32 LYS HD3 1 1 19 8255 1 1 32 LYS HE2 H 2.822 5.126 2.626 1.00 . A A . 32 LYS HE2 1 1 19 8256 1 1 32 LYS HE3 H 3.078 3.406 2.331 1.00 . A A . 32 LYS HE3 1 1 19 8257 1 1 32 LYS HG2 H 5.213 5.724 2.193 1.00 . A A . 32 LYS HG2 1 1 19 8258 1 1 32 LYS HG3 H 5.443 4.041 1.718 1.00 . A A . 32 LYS HG3 1 1 19 8259 1 1 32 LYS HZ1 H 2.448 2.999 4.666 1.00 . A A . 32 LYS HZ1 1 1 19 8260 1 1 32 LYS HZ2 H 1.190 3.716 3.796 1.00 . A A . 32 LYS HZ2 1 1 19 8261 1 1 32 LYS HZ3 H 2.106 4.633 4.846 1.00 . A A . 32 LYS HZ3 1 1 19 8262 1 1 32 LYS N N 7.821 4.360 0.883 1.00 . A A . 32 LYS N 1 1 19 8263 1 1 32 LYS NZ N 2.156 3.859 4.154 1.00 . A A . 32 LYS NZ 1 1 19 8264 1 1 32 LYS O O 10.301 5.587 2.102 1.00 . A A . 32 LYS O 1 1 19 8265 1 1 32 LYS OXT O 9.534 4.072 3.463 1.00 . A A . 32 LYS OXT 1 1 20 8266 1 1 1 CYS C C -6.350 3.501 5.337 1.00 . A A . 1 CYS C 1 1 20 8267 1 1 1 CYS CA C -5.759 4.870 5.650 1.00 . A A . 1 CYS CA 1 1 20 8268 1 1 1 CYS CB C -4.294 4.752 6.111 1.00 . A A . 1 CYS CB 1 1 20 8269 1 1 1 CYS H1 H -7.529 5.641 6.342 1.00 . A A . 1 CYS H1 1 1 20 8270 1 1 1 CYS H2 H -6.187 6.502 6.838 1.00 . A A . 1 CYS H2 1 1 20 8271 1 1 1 CYS H3 H -6.535 4.990 7.541 1.00 . A A . 1 CYS H3 1 1 20 8272 1 1 1 CYS HA H -5.795 5.456 4.746 1.00 . A A . 1 CYS HA 1 1 20 8273 1 1 1 CYS HB2 H -3.744 4.182 5.377 1.00 . A A . 1 CYS HB2 1 1 20 8274 1 1 1 CYS HB3 H -3.873 5.744 6.169 1.00 . A A . 1 CYS HB3 1 1 20 8275 1 1 1 CYS N N -6.547 5.542 6.663 1.00 . A A . 1 CYS N 1 1 20 8276 1 1 1 CYS O O -7.078 2.913 6.167 1.00 . A A . 1 CYS O 1 1 20 8277 1 1 1 CYS SG S -4.042 3.935 7.735 1.00 . A A . 1 CYS SG 1 1 20 8278 1 1 2 ALA C C -5.559 0.633 4.160 1.00 . A A . 2 ALA C 1 1 20 8279 1 1 2 ALA CA C -6.528 1.712 3.706 1.00 . A A . 2 ALA CA 1 1 20 8280 1 1 2 ALA CB C -6.663 1.702 2.195 1.00 . A A . 2 ALA CB 1 1 20 8281 1 1 2 ALA H H -5.499 3.530 3.538 1.00 . A A . 2 ALA H 1 1 20 8282 1 1 2 ALA HA H -7.499 1.530 4.143 1.00 . A A . 2 ALA HA 1 1 20 8283 1 1 2 ALA HB1 H -5.698 1.887 1.747 1.00 . A A . 2 ALA HB1 1 1 20 8284 1 1 2 ALA HB2 H -7.354 2.474 1.890 1.00 . A A . 2 ALA HB2 1 1 20 8285 1 1 2 ALA HB3 H -7.031 0.741 1.870 1.00 . A A . 2 ALA HB3 1 1 20 8286 1 1 2 ALA N N -6.063 3.004 4.150 1.00 . A A . 2 ALA N 1 1 20 8287 1 1 2 ALA O O -4.351 0.888 4.296 1.00 . A A . 2 ALA O 1 1 20 8288 1 1 3 VAL C C -4.913 -2.595 3.737 1.00 . A A . 3 VAL C 1 1 20 8289 1 1 3 VAL CA C -5.238 -1.643 4.882 1.00 . A A . 3 VAL CA 1 1 20 8290 1 1 3 VAL CB C -5.896 -2.421 6.054 1.00 . A A . 3 VAL CB 1 1 20 8291 1 1 3 VAL CG1 C -6.090 -1.517 7.255 1.00 . A A . 3 VAL CG1 1 1 20 8292 1 1 3 VAL CG2 C -7.216 -3.053 5.629 1.00 . A A . 3 VAL CG2 1 1 20 8293 1 1 3 VAL H H -7.029 -0.701 4.264 1.00 . A A . 3 VAL H 1 1 20 8294 1 1 3 VAL HA H -4.311 -1.213 5.231 1.00 . A A . 3 VAL HA 1 1 20 8295 1 1 3 VAL HB H -5.220 -3.209 6.348 1.00 . A A . 3 VAL HB 1 1 20 8296 1 1 3 VAL HG11 H -5.132 -1.142 7.584 1.00 . A A . 3 VAL HG11 1 1 20 8297 1 1 3 VAL HG12 H -6.552 -2.074 8.056 1.00 . A A . 3 VAL HG12 1 1 20 8298 1 1 3 VAL HG13 H -6.723 -0.685 6.981 1.00 . A A . 3 VAL HG13 1 1 20 8299 1 1 3 VAL HG21 H -7.030 -3.765 4.839 1.00 . A A . 3 VAL HG21 1 1 20 8300 1 1 3 VAL HG22 H -7.867 -2.282 5.244 1.00 . A A . 3 VAL HG22 1 1 20 8301 1 1 3 VAL HG23 H -7.681 -3.549 6.468 1.00 . A A . 3 VAL HG23 1 1 20 8302 1 1 3 VAL N N -6.067 -0.542 4.418 1.00 . A A . 3 VAL N 1 1 20 8303 1 1 3 VAL O O -5.289 -2.340 2.587 1.00 . A A . 3 VAL O 1 1 20 8304 1 1 4 THR C C -5.059 -5.242 2.345 1.00 . A A . 4 THR C 1 1 20 8305 1 1 4 THR CA C -3.822 -4.650 3.056 1.00 . A A . 4 THR CA 1 1 20 8306 1 1 4 THR CB C -2.973 -5.776 3.703 1.00 . A A . 4 THR CB 1 1 20 8307 1 1 4 THR CG2 C -2.409 -6.702 2.637 1.00 . A A . 4 THR CG2 1 1 20 8308 1 1 4 THR H H -3.960 -3.826 4.983 1.00 . A A . 4 THR H 1 1 20 8309 1 1 4 THR HA H -3.216 -4.139 2.321 1.00 . A A . 4 THR HA 1 1 20 8310 1 1 4 THR HB H -3.593 -6.345 4.380 1.00 . A A . 4 THR HB 1 1 20 8311 1 1 4 THR HG1 H -2.196 -4.867 5.278 1.00 . A A . 4 THR HG1 1 1 20 8312 1 1 4 THR HG21 H -3.219 -7.174 2.101 1.00 . A A . 4 THR HG21 1 1 20 8313 1 1 4 THR HG22 H -1.791 -7.455 3.104 1.00 . A A . 4 THR HG22 1 1 20 8314 1 1 4 THR HG23 H -1.810 -6.128 1.947 1.00 . A A . 4 THR HG23 1 1 20 8315 1 1 4 THR N N -4.215 -3.673 4.048 1.00 . A A . 4 THR N 1 1 20 8316 1 1 4 THR O O -6.076 -5.535 2.992 1.00 . A A . 4 THR O 1 1 20 8317 1 1 4 THR OG1 O -1.871 -5.192 4.430 1.00 . A A . 4 THR OG1 1 1 20 8318 1 1 5 HIS C C -7.082 -4.851 -0.248 1.00 . A A . 5 HIS C 1 1 20 8319 1 1 5 HIS CA C -6.025 -5.869 0.120 1.00 . A A . 5 HIS CA 1 1 20 8320 1 1 5 HIS CB C -6.659 -7.196 0.588 1.00 . A A . 5 HIS CB 1 1 20 8321 1 1 5 HIS CD2 C -5.296 -9.007 -0.645 1.00 . A A . 5 HIS CD2 1 1 20 8322 1 1 5 HIS CE1 C -4.583 -10.140 1.058 1.00 . A A . 5 HIS CE1 1 1 20 8323 1 1 5 HIS CG C -5.764 -8.389 0.464 1.00 . A A . 5 HIS CG 1 1 20 8324 1 1 5 HIS H H -4.140 -5.000 0.604 1.00 . A A . 5 HIS H 1 1 20 8325 1 1 5 HIS HA H -5.503 -6.063 -0.807 1.00 . A A . 5 HIS HA 1 1 20 8326 1 1 5 HIS HB2 H -6.934 -7.102 1.629 1.00 . A A . 5 HIS HB2 1 1 20 8327 1 1 5 HIS HB3 H -7.550 -7.381 0.007 1.00 . A A . 5 HIS HB3 1 1 20 8328 1 1 5 HIS HD1 H -5.452 -8.928 2.483 1.00 . A A . 5 HIS HD1 1 1 20 8329 1 1 5 HIS HD2 H -5.470 -8.695 -1.664 1.00 . A A . 5 HIS HD2 1 1 20 8330 1 1 5 HIS HE1 H -4.099 -10.884 1.672 1.00 . A A . 5 HIS HE1 1 1 20 8331 1 1 5 HIS N N -4.970 -5.334 1.012 1.00 . A A . 5 HIS N 1 1 20 8332 1 1 5 HIS ND1 N -5.299 -9.122 1.531 1.00 . A A . 5 HIS ND1 1 1 20 8333 1 1 5 HIS NE2 N -4.549 -10.119 -0.270 1.00 . A A . 5 HIS NE2 1 1 20 8334 1 1 5 HIS O O -7.826 -5.051 -1.225 1.00 . A A . 5 HIS O 1 1 20 8335 1 1 6 GLU C C -7.430 -1.854 -0.914 1.00 . A A . 6 GLU C 1 1 20 8336 1 1 6 GLU CA C -8.073 -2.701 0.166 1.00 . A A . 6 GLU CA 1 1 20 8337 1 1 6 GLU CB C -8.418 -1.843 1.388 1.00 . A A . 6 GLU CB 1 1 20 8338 1 1 6 GLU CD C -9.656 -1.647 3.557 1.00 . A A . 6 GLU CD 1 1 20 8339 1 1 6 GLU CG C -9.121 -2.585 2.503 1.00 . A A . 6 GLU CG 1 1 20 8340 1 1 6 GLU H H -6.579 -3.676 1.283 1.00 . A A . 6 GLU H 1 1 20 8341 1 1 6 GLU HA H -8.972 -3.150 -0.234 1.00 . A A . 6 GLU HA 1 1 20 8342 1 1 6 GLU HB2 H -7.501 -1.467 1.818 1.00 . A A . 6 GLU HB2 1 1 20 8343 1 1 6 GLU HB3 H -9.041 -1.015 1.083 1.00 . A A . 6 GLU HB3 1 1 20 8344 1 1 6 GLU HG2 H -9.945 -3.143 2.084 1.00 . A A . 6 GLU HG2 1 1 20 8345 1 1 6 GLU HG3 H -8.423 -3.267 2.965 1.00 . A A . 6 GLU HG3 1 1 20 8346 1 1 6 GLU N N -7.160 -3.771 0.499 1.00 . A A . 6 GLU N 1 1 20 8347 1 1 6 GLU O O -6.209 -1.852 -1.036 1.00 . A A . 6 GLU O 1 1 20 8348 1 1 6 GLU OE1 O -10.875 -1.729 3.877 1.00 . A A . 6 GLU OE1 1 1 20 8349 1 1 6 GLU OE2 O -8.901 -0.771 4.040 1.00 . A A . 6 GLU OE2 1 1 20 8350 1 1 7 LYS C C -6.984 0.857 -2.293 1.00 . A A . 7 LYS C 1 1 20 8351 1 1 7 LYS CA C -7.715 -0.366 -2.796 1.00 . A A . 7 LYS CA 1 1 20 8352 1 1 7 LYS CB C -8.816 0.002 -3.783 1.00 . A A . 7 LYS CB 1 1 20 8353 1 1 7 LYS CD C -10.442 -0.850 -5.494 1.00 . A A . 7 LYS CD 1 1 20 8354 1 1 7 LYS CE C -10.948 -2.089 -6.217 1.00 . A A . 7 LYS CE 1 1 20 8355 1 1 7 LYS CG C -9.370 -1.208 -4.496 1.00 . A A . 7 LYS CG 1 1 20 8356 1 1 7 LYS H H -9.195 -1.201 -1.540 1.00 . A A . 7 LYS H 1 1 20 8357 1 1 7 LYS HA H -6.993 -0.981 -3.312 1.00 . A A . 7 LYS HA 1 1 20 8358 1 1 7 LYS HB2 H -9.618 0.488 -3.250 1.00 . A A . 7 LYS HB2 1 1 20 8359 1 1 7 LYS HB3 H -8.414 0.679 -4.522 1.00 . A A . 7 LYS HB3 1 1 20 8360 1 1 7 LYS HD2 H -11.265 -0.380 -4.976 1.00 . A A . 7 LYS HD2 1 1 20 8361 1 1 7 LYS HD3 H -10.035 -0.164 -6.220 1.00 . A A . 7 LYS HD3 1 1 20 8362 1 1 7 LYS HE2 H -11.720 -1.794 -6.909 1.00 . A A . 7 LYS HE2 1 1 20 8363 1 1 7 LYS HE3 H -10.130 -2.532 -6.764 1.00 . A A . 7 LYS HE3 1 1 20 8364 1 1 7 LYS HG2 H -8.571 -1.722 -5.009 1.00 . A A . 7 LYS HG2 1 1 20 8365 1 1 7 LYS HG3 H -9.796 -1.860 -3.749 1.00 . A A . 7 LYS HG3 1 1 20 8366 1 1 7 LYS HZ1 H -10.780 -3.468 -4.656 1.00 . A A . 7 LYS HZ1 1 1 20 8367 1 1 7 LYS HZ2 H -11.937 -3.888 -5.815 1.00 . A A . 7 LYS HZ2 1 1 20 8368 1 1 7 LYS HZ3 H -12.263 -2.680 -4.705 1.00 . A A . 7 LYS HZ3 1 1 20 8369 1 1 7 LYS N N -8.229 -1.176 -1.706 1.00 . A A . 7 LYS N 1 1 20 8370 1 1 7 LYS NZ N -11.512 -3.097 -5.293 1.00 . A A . 7 LYS NZ 1 1 20 8371 1 1 7 LYS O O -7.256 1.351 -1.197 1.00 . A A . 7 LYS O 1 1 20 8372 1 1 8 CYS C C -5.475 3.643 -3.572 1.00 . A A . 8 CYS C 1 1 20 8373 1 1 8 CYS CA C -5.256 2.448 -2.681 1.00 . A A . 8 CYS CA 1 1 20 8374 1 1 8 CYS CB C -3.784 2.040 -2.729 1.00 . A A . 8 CYS CB 1 1 20 8375 1 1 8 CYS H H -5.932 0.951 -3.971 1.00 . A A . 8 CYS H 1 1 20 8376 1 1 8 CYS HA H -5.497 2.705 -1.661 1.00 . A A . 8 CYS HA 1 1 20 8377 1 1 8 CYS HB2 H -3.175 2.894 -2.471 1.00 . A A . 8 CYS HB2 1 1 20 8378 1 1 8 CYS HB3 H -3.613 1.255 -2.007 1.00 . A A . 8 CYS HB3 1 1 20 8379 1 1 8 CYS N N -6.076 1.344 -3.083 1.00 . A A . 8 CYS N 1 1 20 8380 1 1 8 CYS O O -5.639 3.506 -4.793 1.00 . A A . 8 CYS O 1 1 20 8381 1 1 8 CYS SG S -3.215 1.432 -4.361 1.00 . A A . 8 CYS SG 1 1 20 8382 1 1 9 SER C C -4.157 6.550 -3.869 1.00 . A A . 9 SER C 1 1 20 8383 1 1 9 SER CA C -5.585 6.019 -3.707 1.00 . A A . 9 SER CA 1 1 20 8384 1 1 9 SER CB C -6.470 7.018 -2.969 1.00 . A A . 9 SER CB 1 1 20 8385 1 1 9 SER H H -5.558 4.851 -1.982 1.00 . A A . 9 SER H 1 1 20 8386 1 1 9 SER HA H -6.004 5.812 -4.681 1.00 . A A . 9 SER HA 1 1 20 8387 1 1 9 SER HB2 H -6.008 7.286 -2.030 1.00 . A A . 9 SER HB2 1 1 20 8388 1 1 9 SER HB3 H -6.607 7.900 -3.576 1.00 . A A . 9 SER HB3 1 1 20 8389 1 1 9 SER HG H -7.679 5.520 -2.997 1.00 . A A . 9 SER HG 1 1 20 8390 1 1 9 SER N N -5.530 4.799 -2.970 1.00 . A A . 9 SER N 1 1 20 8391 1 1 9 SER O O -3.849 7.281 -4.807 1.00 . A A . 9 SER O 1 1 20 8392 1 1 9 SER OG O -7.744 6.441 -2.712 1.00 . A A . 9 SER OG 1 1 20 8393 1 1 10 ASP C C -1.139 5.621 -1.954 1.00 . A A . 10 ASP C 1 1 20 8394 1 1 10 ASP CA C -1.875 6.513 -2.948 1.00 . A A . 10 ASP CA 1 1 20 8395 1 1 10 ASP CB C -1.743 8.000 -2.552 1.00 . A A . 10 ASP CB 1 1 20 8396 1 1 10 ASP CG C -0.319 8.472 -2.453 1.00 . A A . 10 ASP CG 1 1 20 8397 1 1 10 ASP H H -3.566 5.483 -2.274 1.00 . A A . 10 ASP H 1 1 20 8398 1 1 10 ASP HA H -1.465 6.358 -3.935 1.00 . A A . 10 ASP HA 1 1 20 8399 1 1 10 ASP HB2 H -2.246 8.607 -3.288 1.00 . A A . 10 ASP HB2 1 1 20 8400 1 1 10 ASP HB3 H -2.216 8.135 -1.591 1.00 . A A . 10 ASP HB3 1 1 20 8401 1 1 10 ASP N N -3.278 6.115 -2.969 1.00 . A A . 10 ASP N 1 1 20 8402 1 1 10 ASP O O -1.778 4.922 -1.184 1.00 . A A . 10 ASP O 1 1 20 8403 1 1 10 ASP OD1 O 0.159 8.673 -1.328 1.00 . A A . 10 ASP OD1 1 1 20 8404 1 1 10 ASP OD2 O 0.357 8.602 -3.489 1.00 . A A . 10 ASP OD2 1 1 20 8405 1 1 11 ASP C C 0.817 5.216 0.351 1.00 . A A . 11 ASP C 1 1 20 8406 1 1 11 ASP CA C 1.008 4.809 -1.088 1.00 . A A . 11 ASP CA 1 1 20 8407 1 1 11 ASP CB C 2.496 4.953 -1.418 1.00 . A A . 11 ASP CB 1 1 20 8408 1 1 11 ASP CG C 2.830 4.659 -2.846 1.00 . A A . 11 ASP CG 1 1 20 8409 1 1 11 ASP H H 0.609 6.274 -2.591 1.00 . A A . 11 ASP H 1 1 20 8410 1 1 11 ASP HA H 0.717 3.777 -1.217 1.00 . A A . 11 ASP HA 1 1 20 8411 1 1 11 ASP HB2 H 2.803 5.966 -1.207 1.00 . A A . 11 ASP HB2 1 1 20 8412 1 1 11 ASP HB3 H 3.059 4.282 -0.787 1.00 . A A . 11 ASP HB3 1 1 20 8413 1 1 11 ASP N N 0.178 5.648 -1.970 1.00 . A A . 11 ASP N 1 1 20 8414 1 1 11 ASP O O 0.661 4.383 1.238 1.00 . A A . 11 ASP O 1 1 20 8415 1 1 11 ASP OD1 O 2.797 3.494 -3.254 1.00 . A A . 11 ASP OD1 1 1 20 8416 1 1 11 ASP OD2 O 3.144 5.609 -3.589 1.00 . A A . 11 ASP OD2 1 1 20 8417 1 1 12 TYR C C -0.798 7.068 2.364 1.00 . A A . 12 TYR C 1 1 20 8418 1 1 12 TYR CA C 0.658 7.052 1.921 1.00 . A A . 12 TYR CA 1 1 20 8419 1 1 12 TYR CB C 1.290 8.442 1.996 1.00 . A A . 12 TYR CB 1 1 20 8420 1 1 12 TYR CD1 C 3.136 8.658 0.278 1.00 . A A . 12 TYR CD1 1 1 20 8421 1 1 12 TYR CD2 C 3.766 8.325 2.548 1.00 . A A . 12 TYR CD2 1 1 20 8422 1 1 12 TYR CE1 C 4.461 8.706 -0.089 1.00 . A A . 12 TYR CE1 1 1 20 8423 1 1 12 TYR CE2 C 5.102 8.367 2.184 1.00 . A A . 12 TYR CE2 1 1 20 8424 1 1 12 TYR CG C 2.759 8.470 1.601 1.00 . A A . 12 TYR CG 1 1 20 8425 1 1 12 TYR CZ C 5.440 8.561 0.861 1.00 . A A . 12 TYR CZ 1 1 20 8426 1 1 12 TYR H H 0.786 7.146 -0.179 1.00 . A A . 12 TYR H 1 1 20 8427 1 1 12 TYR HA H 1.194 6.384 2.578 1.00 . A A . 12 TYR HA 1 1 20 8428 1 1 12 TYR HB2 H 0.759 9.107 1.332 1.00 . A A . 12 TYR HB2 1 1 20 8429 1 1 12 TYR HB3 H 1.209 8.811 3.008 1.00 . A A . 12 TYR HB3 1 1 20 8430 1 1 12 TYR HD1 H 2.368 8.770 -0.473 1.00 . A A . 12 TYR HD1 1 1 20 8431 1 1 12 TYR HD2 H 3.494 8.173 3.583 1.00 . A A . 12 TYR HD2 1 1 20 8432 1 1 12 TYR HE1 H 4.729 8.853 -1.125 1.00 . A A . 12 TYR HE1 1 1 20 8433 1 1 12 TYR HE2 H 5.871 8.252 2.933 1.00 . A A . 12 TYR HE2 1 1 20 8434 1 1 12 TYR HH H 7.256 7.887 0.855 1.00 . A A . 12 TYR HH 1 1 20 8435 1 1 12 TYR N N 0.769 6.514 0.577 1.00 . A A . 12 TYR N 1 1 20 8436 1 1 12 TYR O O -1.131 7.482 3.475 1.00 . A A . 12 TYR O 1 1 20 8437 1 1 12 TYR OH O 6.763 8.628 0.482 1.00 . A A . 12 TYR OH 1 1 20 8438 1 1 13 ASP C C -3.257 5.030 2.359 1.00 . A A . 13 ASP C 1 1 20 8439 1 1 13 ASP CA C -3.067 6.413 1.746 1.00 . A A . 13 ASP CA 1 1 20 8440 1 1 13 ASP CB C -3.869 6.579 0.437 1.00 . A A . 13 ASP CB 1 1 20 8441 1 1 13 ASP CG C -5.302 6.086 0.493 1.00 . A A . 13 ASP CG 1 1 20 8442 1 1 13 ASP H H -1.314 6.354 0.589 1.00 . A A . 13 ASP H 1 1 20 8443 1 1 13 ASP HA H -3.375 7.161 2.461 1.00 . A A . 13 ASP HA 1 1 20 8444 1 1 13 ASP HB2 H -3.896 7.627 0.178 1.00 . A A . 13 ASP HB2 1 1 20 8445 1 1 13 ASP HB3 H -3.354 6.046 -0.349 1.00 . A A . 13 ASP HB3 1 1 20 8446 1 1 13 ASP N N -1.651 6.602 1.475 1.00 . A A . 13 ASP N 1 1 20 8447 1 1 13 ASP O O -4.272 4.727 2.974 1.00 . A A . 13 ASP O 1 1 20 8448 1 1 13 ASP OD1 O -5.636 5.151 -0.265 1.00 . A A . 13 ASP OD1 1 1 20 8449 1 1 13 ASP OD2 O -6.114 6.627 1.277 1.00 . A A . 13 ASP OD2 1 1 20 8450 1 1 14 CYS C C -1.519 2.926 4.124 1.00 . A A . 14 CYS C 1 1 20 8451 1 1 14 CYS CA C -2.226 2.900 2.785 1.00 . A A . 14 CYS CA 1 1 20 8452 1 1 14 CYS CB C -1.509 1.957 1.842 1.00 . A A . 14 CYS CB 1 1 20 8453 1 1 14 CYS H H -1.445 4.520 1.739 1.00 . A A . 14 CYS H 1 1 20 8454 1 1 14 CYS HA H -3.244 2.566 2.913 1.00 . A A . 14 CYS HA 1 1 20 8455 1 1 14 CYS HB2 H -0.477 2.260 1.747 1.00 . A A . 14 CYS HB2 1 1 20 8456 1 1 14 CYS HB3 H -1.557 0.963 2.263 1.00 . A A . 14 CYS HB3 1 1 20 8457 1 1 14 CYS N N -2.239 4.221 2.229 1.00 . A A . 14 CYS N 1 1 20 8458 1 1 14 CYS O O -0.525 3.648 4.296 1.00 . A A . 14 CYS O 1 1 20 8459 1 1 14 CYS SG S -2.232 1.898 0.183 1.00 . A A . 14 CYS SG 1 1 20 8460 1 1 15 CYS C C -0.115 1.376 6.410 1.00 . A A . 15 CYS C 1 1 20 8461 1 1 15 CYS CA C -1.475 2.091 6.408 1.00 . A A . 15 CYS CA 1 1 20 8462 1 1 15 CYS CB C -2.440 1.327 7.313 1.00 . A A . 15 CYS CB 1 1 20 8463 1 1 15 CYS H H -2.817 1.614 4.849 1.00 . A A . 15 CYS H 1 1 20 8464 1 1 15 CYS HA H -1.363 3.095 6.791 1.00 . A A . 15 CYS HA 1 1 20 8465 1 1 15 CYS HB2 H -2.474 0.301 6.981 1.00 . A A . 15 CYS HB2 1 1 20 8466 1 1 15 CYS HB3 H -2.064 1.359 8.326 1.00 . A A . 15 CYS HB3 1 1 20 8467 1 1 15 CYS N N -2.026 2.162 5.063 1.00 . A A . 15 CYS N 1 1 20 8468 1 1 15 CYS O O 0.307 0.813 5.385 1.00 . A A . 15 CYS O 1 1 20 8469 1 1 15 CYS SG S -4.162 1.947 7.330 1.00 . A A . 15 CYS SG 1 1 20 8470 1 1 16 GLY C C 2.856 1.198 6.713 1.00 . A A . 16 GLY C 1 1 20 8471 1 1 16 GLY CA C 1.833 0.742 7.714 1.00 . A A . 16 GLY CA 1 1 20 8472 1 1 16 GLY H H 0.210 1.937 8.300 1.00 . A A . 16 GLY H 1 1 20 8473 1 1 16 GLY HA2 H 2.205 0.934 8.708 1.00 . A A . 16 GLY HA2 1 1 20 8474 1 1 16 GLY HA3 H 1.677 -0.320 7.598 1.00 . A A . 16 GLY HA3 1 1 20 8475 1 1 16 GLY N N 0.563 1.417 7.548 1.00 . A A . 16 GLY N 1 1 20 8476 1 1 16 GLY O O 3.021 2.393 6.481 1.00 . A A . 16 GLY O 1 1 20 8477 1 1 17 SER C C 4.043 -0.032 3.748 1.00 . A A . 17 SER C 1 1 20 8478 1 1 17 SER CA C 4.478 0.558 5.091 1.00 . A A . 17 SER CA 1 1 20 8479 1 1 17 SER CB C 5.819 0.011 5.555 1.00 . A A . 17 SER CB 1 1 20 8480 1 1 17 SER H H 3.292 -0.678 6.266 1.00 . A A . 17 SER H 1 1 20 8481 1 1 17 SER HA H 4.542 1.631 5.001 1.00 . A A . 17 SER HA 1 1 20 8482 1 1 17 SER HB2 H 6.534 0.124 4.756 1.00 . A A . 17 SER HB2 1 1 20 8483 1 1 17 SER HB3 H 6.153 0.565 6.419 1.00 . A A . 17 SER HB3 1 1 20 8484 1 1 17 SER HG H 5.529 -1.412 6.844 1.00 . A A . 17 SER HG 1 1 20 8485 1 1 17 SER N N 3.488 0.266 6.081 1.00 . A A . 17 SER N 1 1 20 8486 1 1 17 SER O O 4.873 -0.426 2.903 1.00 . A A . 17 SER O 1 1 20 8487 1 1 17 SER OG O 5.720 -1.369 5.900 1.00 . A A . 17 SER OG 1 1 20 8488 1 1 18 LEU C C 2.259 0.459 1.251 1.00 . A A . 18 LEU C 1 1 20 8489 1 1 18 LEU CA C 2.127 -0.572 2.348 1.00 . A A . 18 LEU CA 1 1 20 8490 1 1 18 LEU CB C 0.651 -0.866 2.580 1.00 . A A . 18 LEU CB 1 1 20 8491 1 1 18 LEU CD1 C -1.170 -1.981 3.853 1.00 . A A . 18 LEU CD1 1 1 20 8492 1 1 18 LEU CD2 C 0.902 -3.237 3.310 1.00 . A A . 18 LEU CD2 1 1 20 8493 1 1 18 LEU CG C 0.327 -1.884 3.663 1.00 . A A . 18 LEU CG 1 1 20 8494 1 1 18 LEU H H 2.135 0.248 4.273 1.00 . A A . 18 LEU H 1 1 20 8495 1 1 18 LEU HA H 2.625 -1.482 2.052 1.00 . A A . 18 LEU HA 1 1 20 8496 1 1 18 LEU HB2 H 0.177 0.064 2.852 1.00 . A A . 18 LEU HB2 1 1 20 8497 1 1 18 LEU HB3 H 0.224 -1.211 1.650 1.00 . A A . 18 LEU HB3 1 1 20 8498 1 1 18 LEU HD11 H -1.626 -2.298 2.927 1.00 . A A . 18 LEU HD11 1 1 20 8499 1 1 18 LEU HD12 H -1.562 -1.016 4.137 1.00 . A A . 18 LEU HD12 1 1 20 8500 1 1 18 LEU HD13 H -1.389 -2.703 4.626 1.00 . A A . 18 LEU HD13 1 1 20 8501 1 1 18 LEU HD21 H 0.654 -3.938 4.091 1.00 . A A . 18 LEU HD21 1 1 20 8502 1 1 18 LEU HD22 H 1.975 -3.164 3.215 1.00 . A A . 18 LEU HD22 1 1 20 8503 1 1 18 LEU HD23 H 0.480 -3.576 2.376 1.00 . A A . 18 LEU HD23 1 1 20 8504 1 1 18 LEU HG H 0.764 -1.559 4.597 1.00 . A A . 18 LEU HG 1 1 20 8505 1 1 18 LEU N N 2.729 -0.076 3.562 1.00 . A A . 18 LEU N 1 1 20 8506 1 1 18 LEU O O 2.365 1.661 1.524 1.00 . A A . 18 LEU O 1 1 20 8507 1 1 19 CYS C C 1.178 0.642 -2.005 1.00 . A A . 19 CYS C 1 1 20 8508 1 1 19 CYS CA C 2.371 0.837 -1.102 1.00 . A A . 19 CYS CA 1 1 20 8509 1 1 19 CYS CB C 3.664 0.493 -1.828 1.00 . A A . 19 CYS CB 1 1 20 8510 1 1 19 CYS H H 2.098 -0.958 -0.132 1.00 . A A . 19 CYS H 1 1 20 8511 1 1 19 CYS HA H 2.415 1.865 -0.774 1.00 . A A . 19 CYS HA 1 1 20 8512 1 1 19 CYS HB2 H 3.622 -0.533 -2.165 1.00 . A A . 19 CYS HB2 1 1 20 8513 1 1 19 CYS HB3 H 3.778 1.146 -2.679 1.00 . A A . 19 CYS HB3 1 1 20 8514 1 1 19 CYS N N 2.233 -0.001 0.044 1.00 . A A . 19 CYS N 1 1 20 8515 1 1 19 CYS O O 0.401 -0.313 -1.826 1.00 . A A . 19 CYS O 1 1 20 8516 1 1 19 CYS SG S 5.138 0.679 -0.782 1.00 . A A . 19 CYS SG 1 1 20 8517 1 1 20 CYS C C 0.251 0.636 -5.062 1.00 . A A . 20 CYS C 1 1 20 8518 1 1 20 CYS CA C -0.110 1.453 -3.825 1.00 . A A . 20 CYS CA 1 1 20 8519 1 1 20 CYS CB C -0.542 2.868 -4.213 1.00 . A A . 20 CYS CB 1 1 20 8520 1 1 20 CYS H H 1.674 2.244 -3.065 1.00 . A A . 20 CYS H 1 1 20 8521 1 1 20 CYS HA H -0.925 0.971 -3.303 1.00 . A A . 20 CYS HA 1 1 20 8522 1 1 20 CYS HB2 H -0.646 3.463 -3.318 1.00 . A A . 20 CYS HB2 1 1 20 8523 1 1 20 CYS HB3 H 0.225 3.305 -4.836 1.00 . A A . 20 CYS HB3 1 1 20 8524 1 1 20 CYS N N 1.011 1.520 -2.947 1.00 . A A . 20 CYS N 1 1 20 8525 1 1 20 CYS O O 1.177 0.983 -5.811 1.00 . A A . 20 CYS O 1 1 20 8526 1 1 20 CYS SG S -2.119 2.966 -5.119 1.00 . A A . 20 CYS SG 1 1 20 8527 1 1 21 VAL C C -1.663 -1.848 -6.788 1.00 . A A . 21 VAL C 1 1 20 8528 1 1 21 VAL CA C -0.265 -1.334 -6.384 1.00 . A A . 21 VAL CA 1 1 20 8529 1 1 21 VAL CB C 0.747 -2.492 -6.038 1.00 . A A . 21 VAL CB 1 1 20 8530 1 1 21 VAL CG1 C 0.271 -3.374 -4.888 1.00 . A A . 21 VAL CG1 1 1 20 8531 1 1 21 VAL CG2 C 1.129 -3.318 -7.270 1.00 . A A . 21 VAL CG2 1 1 20 8532 1 1 21 VAL H H -1.100 -0.722 -4.558 1.00 . A A . 21 VAL H 1 1 20 8533 1 1 21 VAL HA H 0.121 -0.732 -7.194 1.00 . A A . 21 VAL HA 1 1 20 8534 1 1 21 VAL HB H 1.641 -2.001 -5.679 1.00 . A A . 21 VAL HB 1 1 20 8535 1 1 21 VAL HG11 H -0.674 -3.827 -5.151 1.00 . A A . 21 VAL HG11 1 1 20 8536 1 1 21 VAL HG12 H 0.145 -2.772 -4.001 1.00 . A A . 21 VAL HG12 1 1 20 8537 1 1 21 VAL HG13 H 1.002 -4.147 -4.700 1.00 . A A . 21 VAL HG13 1 1 20 8538 1 1 21 VAL HG21 H 0.240 -3.762 -7.693 1.00 . A A . 21 VAL HG21 1 1 20 8539 1 1 21 VAL HG22 H 1.818 -4.097 -6.981 1.00 . A A . 21 VAL HG22 1 1 20 8540 1 1 21 VAL HG23 H 1.596 -2.677 -8.004 1.00 . A A . 21 VAL HG23 1 1 20 8541 1 1 21 VAL N N -0.439 -0.461 -5.239 1.00 . A A . 21 VAL N 1 1 20 8542 1 1 21 VAL O O -1.895 -3.035 -7.066 1.00 . A A . 21 VAL O 1 1 20 8543 1 1 22 GLY C C -4.645 -1.397 -5.700 1.00 . A A . 22 GLY C 1 1 20 8544 1 1 22 GLY CA C -3.985 -1.245 -7.030 1.00 . A A . 22 GLY CA 1 1 20 8545 1 1 22 GLY H H -2.359 0.016 -6.635 1.00 . A A . 22 GLY H 1 1 20 8546 1 1 22 GLY HA2 H -4.458 -0.457 -7.598 1.00 . A A . 22 GLY HA2 1 1 20 8547 1 1 22 GLY HA3 H -4.053 -2.181 -7.562 1.00 . A A . 22 GLY HA3 1 1 20 8548 1 1 22 GLY N N -2.601 -0.922 -6.799 1.00 . A A . 22 GLY N 1 1 20 8549 1 1 22 GLY O O -5.622 -0.715 -5.372 1.00 . A A . 22 GLY O 1 1 20 8550 1 1 23 ILE C C -3.291 -2.058 -2.692 1.00 . A A . 23 ILE C 1 1 20 8551 1 1 23 ILE CA C -4.452 -2.472 -3.569 1.00 . A A . 23 ILE CA 1 1 20 8552 1 1 23 ILE CB C -4.809 -3.960 -3.284 1.00 . A A . 23 ILE CB 1 1 20 8553 1 1 23 ILE CD1 C -3.836 -6.341 -3.259 1.00 . A A . 23 ILE CD1 1 1 20 8554 1 1 23 ILE CG1 C -3.611 -4.881 -3.597 1.00 . A A . 23 ILE CG1 1 1 20 8555 1 1 23 ILE CG2 C -6.040 -4.371 -4.087 1.00 . A A . 23 ILE CG2 1 1 20 8556 1 1 23 ILE H H -3.315 -2.773 -5.276 1.00 . A A . 23 ILE H 1 1 20 8557 1 1 23 ILE HA H -5.301 -1.848 -3.344 1.00 . A A . 23 ILE HA 1 1 20 8558 1 1 23 ILE HB H -5.055 -4.046 -2.235 1.00 . A A . 23 ILE HB 1 1 20 8559 1 1 23 ILE HD11 H -4.011 -6.446 -2.199 1.00 . A A . 23 ILE HD11 1 1 20 8560 1 1 23 ILE HD12 H -2.963 -6.913 -3.537 1.00 . A A . 23 ILE HD12 1 1 20 8561 1 1 23 ILE HD13 H -4.695 -6.707 -3.802 1.00 . A A . 23 ILE HD13 1 1 20 8562 1 1 23 ILE HG12 H -3.396 -4.820 -4.652 1.00 . A A . 23 ILE HG12 1 1 20 8563 1 1 23 ILE HG13 H -2.751 -4.535 -3.043 1.00 . A A . 23 ILE HG13 1 1 20 8564 1 1 23 ILE HG21 H -6.281 -5.402 -3.875 1.00 . A A . 23 ILE HG21 1 1 20 8565 1 1 23 ILE HG22 H -5.833 -4.260 -5.141 1.00 . A A . 23 ILE HG22 1 1 20 8566 1 1 23 ILE HG23 H -6.875 -3.741 -3.816 1.00 . A A . 23 ILE HG23 1 1 20 8567 1 1 23 ILE N N -4.068 -2.258 -4.919 1.00 . A A . 23 ILE N 1 1 20 8568 1 1 23 ILE O O -2.164 -1.868 -3.191 1.00 . A A . 23 ILE O 1 1 20 8569 1 1 24 CYS C C -1.783 -2.844 -0.157 1.00 . A A . 24 CYS C 1 1 20 8570 1 1 24 CYS CA C -2.520 -1.577 -0.499 1.00 . A A . 24 CYS CA 1 1 20 8571 1 1 24 CYS CB C -3.102 -0.927 0.741 1.00 . A A . 24 CYS CB 1 1 20 8572 1 1 24 CYS H H -4.486 -1.911 -1.140 1.00 . A A . 24 CYS H 1 1 20 8573 1 1 24 CYS HA H -1.831 -0.890 -0.969 1.00 . A A . 24 CYS HA 1 1 20 8574 1 1 24 CYS HB2 H -3.868 -1.569 1.150 1.00 . A A . 24 CYS HB2 1 1 20 8575 1 1 24 CYS HB3 H -2.319 -0.795 1.472 1.00 . A A . 24 CYS HB3 1 1 20 8576 1 1 24 CYS N N -3.549 -1.871 -1.443 1.00 . A A . 24 CYS N 1 1 20 8577 1 1 24 CYS O O -2.345 -3.765 0.460 1.00 . A A . 24 CYS O 1 1 20 8578 1 1 24 CYS SG S -3.845 0.693 0.417 1.00 . A A . 24 CYS SG 1 1 20 8579 1 1 25 ALA C C 1.708 -3.611 -0.434 1.00 . A A . 25 ALA C 1 1 20 8580 1 1 25 ALA CA C 0.274 -4.060 -0.409 1.00 . A A . 25 ALA CA 1 1 20 8581 1 1 25 ALA CB C 0.035 -5.079 -1.500 1.00 . A A . 25 ALA CB 1 1 20 8582 1 1 25 ALA H H -0.191 -2.159 -1.120 1.00 . A A . 25 ALA H 1 1 20 8583 1 1 25 ALA HA H 0.038 -4.506 0.545 1.00 . A A . 25 ALA HA 1 1 20 8584 1 1 25 ALA HB1 H 0.221 -4.627 -2.464 1.00 . A A . 25 ALA HB1 1 1 20 8585 1 1 25 ALA HB2 H -0.984 -5.434 -1.454 1.00 . A A . 25 ALA HB2 1 1 20 8586 1 1 25 ALA HB3 H 0.717 -5.904 -1.358 1.00 . A A . 25 ALA HB3 1 1 20 8587 1 1 25 ALA N N -0.563 -2.918 -0.615 1.00 . A A . 25 ALA N 1 1 20 8588 1 1 25 ALA O O 2.017 -2.549 -0.965 1.00 . A A . 25 ALA O 1 1 20 8589 1 1 26 LYS C C 4.629 -4.530 -1.120 1.00 . A A . 26 LYS C 1 1 20 8590 1 1 26 LYS CA C 3.966 -4.037 0.151 1.00 . A A . 26 LYS CA 1 1 20 8591 1 1 26 LYS CB C 4.669 -4.600 1.386 1.00 . A A . 26 LYS CB 1 1 20 8592 1 1 26 LYS CD C 6.829 -4.872 2.666 1.00 . A A . 26 LYS CD 1 1 20 8593 1 1 26 LYS CE C 6.421 -4.073 3.889 1.00 . A A . 26 LYS CE 1 1 20 8594 1 1 26 LYS CG C 6.171 -4.343 1.405 1.00 . A A . 26 LYS CG 1 1 20 8595 1 1 26 LYS H H 2.275 -5.201 0.588 1.00 . A A . 26 LYS H 1 1 20 8596 1 1 26 LYS HA H 4.027 -2.958 0.178 1.00 . A A . 26 LYS HA 1 1 20 8597 1 1 26 LYS HB2 H 4.230 -4.153 2.266 1.00 . A A . 26 LYS HB2 1 1 20 8598 1 1 26 LYS HB3 H 4.508 -5.667 1.417 1.00 . A A . 26 LYS HB3 1 1 20 8599 1 1 26 LYS HD2 H 6.540 -5.903 2.809 1.00 . A A . 26 LYS HD2 1 1 20 8600 1 1 26 LYS HD3 H 7.900 -4.813 2.549 1.00 . A A . 26 LYS HD3 1 1 20 8601 1 1 26 LYS HE2 H 5.349 -4.115 4.007 1.00 . A A . 26 LYS HE2 1 1 20 8602 1 1 26 LYS HE3 H 6.891 -4.509 4.757 1.00 . A A . 26 LYS HE3 1 1 20 8603 1 1 26 LYS HG2 H 6.621 -4.819 0.548 1.00 . A A . 26 LYS HG2 1 1 20 8604 1 1 26 LYS HG3 H 6.331 -3.277 1.347 1.00 . A A . 26 LYS HG3 1 1 20 8605 1 1 26 LYS HZ1 H 7.870 -2.579 3.667 1.00 . A A . 26 LYS HZ1 1 1 20 8606 1 1 26 LYS HZ2 H 6.586 -2.157 4.664 1.00 . A A . 26 LYS HZ2 1 1 20 8607 1 1 26 LYS HZ3 H 6.375 -2.158 3.004 1.00 . A A . 26 LYS HZ3 1 1 20 8608 1 1 26 LYS N N 2.573 -4.376 0.147 1.00 . A A . 26 LYS N 1 1 20 8609 1 1 26 LYS NZ N 6.838 -2.661 3.786 1.00 . A A . 26 LYS NZ 1 1 20 8610 1 1 26 LYS O O 4.775 -5.737 -1.332 1.00 . A A . 26 LYS O 1 1 20 8611 1 1 27 THR C C 7.147 -4.279 -2.912 1.00 . A A . 27 THR C 1 1 20 8612 1 1 27 THR CA C 5.686 -3.883 -3.186 1.00 . A A . 27 THR CA 1 1 20 8613 1 1 27 THR CB C 5.627 -2.619 -4.052 1.00 . A A . 27 THR CB 1 1 20 8614 1 1 27 THR CG2 C 4.244 -2.440 -4.662 1.00 . A A . 27 THR CG2 1 1 20 8615 1 1 27 THR H H 4.855 -2.658 -1.754 1.00 . A A . 27 THR H 1 1 20 8616 1 1 27 THR HA H 5.173 -4.682 -3.701 1.00 . A A . 27 THR HA 1 1 20 8617 1 1 27 THR HB H 6.364 -2.693 -4.836 1.00 . A A . 27 THR HB 1 1 20 8618 1 1 27 THR HG1 H 6.385 -0.813 -3.745 1.00 . A A . 27 THR HG1 1 1 20 8619 1 1 27 THR HG21 H 4.227 -1.541 -5.260 1.00 . A A . 27 THR HG21 1 1 20 8620 1 1 27 THR HG22 H 3.511 -2.361 -3.872 1.00 . A A . 27 THR HG22 1 1 20 8621 1 1 27 THR HG23 H 4.010 -3.291 -5.285 1.00 . A A . 27 THR HG23 1 1 20 8622 1 1 27 THR N N 5.009 -3.607 -1.950 1.00 . A A . 27 THR N 1 1 20 8623 1 1 27 THR O O 7.571 -4.338 -1.741 1.00 . A A . 27 THR O 1 1 20 8624 1 1 27 THR OG1 O 5.932 -1.488 -3.219 1.00 . A A . 27 THR OG1 1 1 20 8625 1 1 28 ILE C C 10.113 -3.665 -3.410 1.00 . A A . 28 ILE C 1 1 20 8626 1 1 28 ILE CA C 9.304 -4.909 -3.779 1.00 . A A . 28 ILE CA 1 1 20 8627 1 1 28 ILE CB C 9.889 -5.554 -5.070 1.00 . A A . 28 ILE CB 1 1 20 8628 1 1 28 ILE CD1 C 9.438 -7.373 -6.828 1.00 . A A . 28 ILE CD1 1 1 20 8629 1 1 28 ILE CG1 C 8.998 -6.723 -5.528 1.00 . A A . 28 ILE CG1 1 1 20 8630 1 1 28 ILE CG2 C 11.316 -6.046 -4.818 1.00 . A A . 28 ILE CG2 1 1 20 8631 1 1 28 ILE H H 7.555 -4.440 -4.860 1.00 . A A . 28 ILE H 1 1 20 8632 1 1 28 ILE HA H 9.359 -5.618 -2.965 1.00 . A A . 28 ILE HA 1 1 20 8633 1 1 28 ILE HB H 9.919 -4.808 -5.848 1.00 . A A . 28 ILE HB 1 1 20 8634 1 1 28 ILE HD11 H 10.438 -7.764 -6.713 1.00 . A A . 28 ILE HD11 1 1 20 8635 1 1 28 ILE HD12 H 9.426 -6.639 -7.619 1.00 . A A . 28 ILE HD12 1 1 20 8636 1 1 28 ILE HD13 H 8.761 -8.179 -7.073 1.00 . A A . 28 ILE HD13 1 1 20 8637 1 1 28 ILE HG12 H 8.999 -7.486 -4.765 1.00 . A A . 28 ILE HG12 1 1 20 8638 1 1 28 ILE HG13 H 7.989 -6.360 -5.661 1.00 . A A . 28 ILE HG13 1 1 20 8639 1 1 28 ILE HG21 H 11.935 -5.215 -4.512 1.00 . A A . 28 ILE HG21 1 1 20 8640 1 1 28 ILE HG22 H 11.714 -6.476 -5.725 1.00 . A A . 28 ILE HG22 1 1 20 8641 1 1 28 ILE HG23 H 11.306 -6.794 -4.040 1.00 . A A . 28 ILE HG23 1 1 20 8642 1 1 28 ILE N N 7.914 -4.528 -3.951 1.00 . A A . 28 ILE N 1 1 20 8643 1 1 28 ILE O O 10.935 -3.684 -2.490 1.00 . A A . 28 ILE O 1 1 20 8644 1 1 29 ALA C C 9.708 -0.528 -2.809 1.00 . A A . 29 ALA C 1 1 20 8645 1 1 29 ALA CA C 10.492 -1.322 -3.856 1.00 . A A . 29 ALA CA 1 1 20 8646 1 1 29 ALA CB C 10.591 -0.529 -5.152 1.00 . A A . 29 ALA CB 1 1 20 8647 1 1 29 ALA H H 9.136 -2.629 -4.787 1.00 . A A . 29 ALA H 1 1 20 8648 1 1 29 ALA HA H 11.489 -1.532 -3.499 1.00 . A A . 29 ALA HA 1 1 20 8649 1 1 29 ALA HB1 H 11.142 -1.101 -5.884 1.00 . A A . 29 ALA HB1 1 1 20 8650 1 1 29 ALA HB2 H 11.100 0.404 -4.966 1.00 . A A . 29 ALA HB2 1 1 20 8651 1 1 29 ALA HB3 H 9.598 -0.328 -5.526 1.00 . A A . 29 ALA HB3 1 1 20 8652 1 1 29 ALA N N 9.831 -2.584 -4.096 1.00 . A A . 29 ALA N 1 1 20 8653 1 1 29 ALA O O 8.510 -0.300 -2.985 1.00 . A A . 29 ALA O 1 1 20 8654 1 1 30 PRO C C 9.270 2.017 -1.129 1.00 . A A . 30 PRO C 1 1 20 8655 1 1 30 PRO CA C 9.699 0.643 -0.639 1.00 . A A . 30 PRO CA 1 1 20 8656 1 1 30 PRO CB C 10.779 0.789 0.443 1.00 . A A . 30 PRO CB 1 1 20 8657 1 1 30 PRO CD C 11.760 -0.401 -1.372 1.00 . A A . 30 PRO CD 1 1 20 8658 1 1 30 PRO CG C 11.803 -0.236 0.115 1.00 . A A . 30 PRO CG 1 1 20 8659 1 1 30 PRO HA H 8.842 0.125 -0.235 1.00 . A A . 30 PRO HA 1 1 20 8660 1 1 30 PRO HB2 H 11.190 1.787 0.409 1.00 . A A . 30 PRO HB2 1 1 20 8661 1 1 30 PRO HB3 H 10.338 0.609 1.413 1.00 . A A . 30 PRO HB3 1 1 20 8662 1 1 30 PRO HD2 H 12.418 0.306 -1.853 1.00 . A A . 30 PRO HD2 1 1 20 8663 1 1 30 PRO HD3 H 12.027 -1.415 -1.627 1.00 . A A . 30 PRO HD3 1 1 20 8664 1 1 30 PRO HG2 H 12.778 0.105 0.428 1.00 . A A . 30 PRO HG2 1 1 20 8665 1 1 30 PRO HG3 H 11.558 -1.169 0.603 1.00 . A A . 30 PRO HG3 1 1 20 8666 1 1 30 PRO N N 10.353 -0.129 -1.695 1.00 . A A . 30 PRO N 1 1 20 8667 1 1 30 PRO O O 10.076 2.775 -1.689 1.00 . A A . 30 PRO O 1 1 20 8668 1 1 31 CYS C C 7.654 4.643 -0.234 1.00 . A A . 31 CYS C 1 1 20 8669 1 1 31 CYS CA C 7.479 3.608 -1.335 1.00 . A A . 31 CYS CA 1 1 20 8670 1 1 31 CYS CB C 6.007 3.428 -1.652 1.00 . A A . 31 CYS CB 1 1 20 8671 1 1 31 CYS H H 7.432 1.698 -0.474 1.00 . A A . 31 CYS H 1 1 20 8672 1 1 31 CYS HA H 7.991 3.937 -2.226 1.00 . A A . 31 CYS HA 1 1 20 8673 1 1 31 CYS HB2 H 5.560 4.392 -1.842 1.00 . A A . 31 CYS HB2 1 1 20 8674 1 1 31 CYS HB3 H 5.901 2.801 -2.525 1.00 . A A . 31 CYS HB3 1 1 20 8675 1 1 31 CYS N N 8.030 2.336 -0.923 1.00 . A A . 31 CYS N 1 1 20 8676 1 1 31 CYS O O 7.642 5.859 -0.489 1.00 . A A . 31 CYS O 1 1 20 8677 1 1 31 CYS SG S 5.088 2.642 -0.296 1.00 . A A . 31 CYS SG 1 1 20 8678 1 1 32 LYS C C 9.407 4.872 2.616 1.00 . A A . 32 LYS C 1 1 20 8679 1 1 32 LYS CA C 7.984 5.021 2.115 1.00 . A A . 32 LYS CA 1 1 20 8680 1 1 32 LYS CB C 6.972 4.669 3.217 1.00 . A A . 32 LYS CB 1 1 20 8681 1 1 32 LYS CD C 4.562 4.394 3.891 1.00 . A A . 32 LYS CD 1 1 20 8682 1 1 32 LYS CE C 3.132 4.254 3.395 1.00 . A A . 32 LYS CE 1 1 20 8683 1 1 32 LYS CG C 5.519 4.680 2.750 1.00 . A A . 32 LYS CG 1 1 20 8684 1 1 32 LYS H H 7.815 3.194 1.128 1.00 . A A . 32 LYS H 1 1 20 8685 1 1 32 LYS HA H 7.825 6.041 1.793 1.00 . A A . 32 LYS HA 1 1 20 8686 1 1 32 LYS HB2 H 7.199 3.684 3.594 1.00 . A A . 32 LYS HB2 1 1 20 8687 1 1 32 LYS HB3 H 7.073 5.383 4.022 1.00 . A A . 32 LYS HB3 1 1 20 8688 1 1 32 LYS HD2 H 4.861 3.479 4.376 1.00 . A A . 32 LYS HD2 1 1 20 8689 1 1 32 LYS HD3 H 4.610 5.208 4.600 1.00 . A A . 32 LYS HD3 1 1 20 8690 1 1 32 LYS HE2 H 2.863 5.151 2.858 1.00 . A A . 32 LYS HE2 1 1 20 8691 1 1 32 LYS HE3 H 3.078 3.408 2.725 1.00 . A A . 32 LYS HE3 1 1 20 8692 1 1 32 LYS HG2 H 5.291 5.652 2.339 1.00 . A A . 32 LYS HG2 1 1 20 8693 1 1 32 LYS HG3 H 5.393 3.929 1.985 1.00 . A A . 32 LYS HG3 1 1 20 8694 1 1 32 LYS HZ1 H 2.133 4.897 5.107 1.00 . A A . 32 LYS HZ1 1 1 20 8695 1 1 32 LYS HZ2 H 2.479 3.282 5.140 1.00 . A A . 32 LYS HZ2 1 1 20 8696 1 1 32 LYS HZ3 H 1.209 3.851 4.175 1.00 . A A . 32 LYS HZ3 1 1 20 8697 1 1 32 LYS N N 7.810 4.165 0.980 1.00 . A A . 32 LYS N 1 1 20 8698 1 1 32 LYS NZ N 2.177 4.052 4.506 1.00 . A A . 32 LYS NZ 1 1 20 8699 1 1 32 LYS O O 9.665 4.034 3.499 1.00 . A A . 32 LYS O 1 1 20 8700 1 1 32 LYS OXT O 10.300 5.549 2.073 1.00 . A A . 32 LYS OXT 1 1 stop_ save_
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