NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
626771 | 5xes | 36074 | cing | 4-filtered-FRED | STAR | entry | full | 64 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5xes # This FRED archive file contains, for PDB entry <5xes>: # # - 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_5xes _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5xes _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1098.29 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 $THR_VAL_TYR_VAL_TYR_SER_ARG_VAL_LYS A . 1 1 stop_ save_ save_THR_VAL_TYR_VAL_TYR_SER_ARG_VAL_LYS _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "THR VAL TYR VAL TYR SER ARG VAL LYS" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code TVYVYSRVK _Entity.Number_of_monomers 9 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 THR . 1 1 2 VAL . 1 1 3 TYR . 1 1 4 VAL . 1 1 5 TYR . 1 1 6 SER . 1 1 7 ARG . 1 1 8 VAL . 1 1 9 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 THR 1 1 1 1 VAL 2 2 1 1 TYR 3 3 1 1 VAL 4 4 1 1 TYR 5 5 1 1 SER 6 6 1 1 ARG 7 7 1 1 VAL 8 8 1 1 LYS 9 9 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 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 1 THR H1 . 1 THR H 1 1 1 1 2 1 1 1 THR HB . 1 THR HB 1 1 2 1 1 1 1 1 THR H1 . 1 THR H 1 1 2 1 2 1 1 1 THR MG . 1 THR QG2 1 1 3 1 1 1 1 1 THR H1 . 1 THR H 1 1 3 1 2 1 1 2 VAL H . 2 VAL H 1 1 4 1 1 1 1 1 THR HA . 1 THR HA 1 1 4 1 2 1 1 2 VAL H . 2 VAL H 1 1 5 1 1 1 1 1 THR HB . 1 THR HB 1 1 5 1 2 1 1 4 VAL H . 4 VAL H 1 1 6 1 1 1 1 2 VAL H . 2 VAL H 1 1 6 1 2 1 1 2 VAL HB . 2 VAL HB 1 1 7 1 1 1 1 2 VAL H . 2 VAL H 1 1 7 1 2 1 1 2 VAL MG1 . 2 VAL QG1 1 1 8 1 1 1 1 2 VAL H . 2 VAL H 1 1 8 1 2 1 1 2 VAL MG2 . 2 VAL QG2 1 1 9 1 1 1 1 2 VAL H . 2 VAL H 1 1 9 1 2 1 1 3 TYR H . 3 TYR H 1 1 10 1 1 1 1 2 VAL HA . 2 VAL HA 1 1 10 1 2 1 1 3 TYR H . 3 TYR H 1 1 11 1 1 1 1 2 VAL HA . 2 VAL HA 1 1 11 1 2 1 1 4 VAL H . 4 VAL H 1 1 12 1 1 1 1 2 VAL HA . 2 VAL HA 1 1 12 1 2 1 1 5 TYR H . 5 TYR H 1 1 13 1 1 1 1 2 VAL HB . 2 VAL HB 1 1 13 1 2 1 1 3 TYR H . 3 TYR H 1 1 14 1 1 1 1 2 VAL MG1 . 2 VAL QG1 1 1 14 1 2 1 1 5 TYR H . 5 TYR H 1 1 15 1 1 1 1 2 VAL MG2 . 2 VAL QG2 1 1 15 1 2 1 1 3 TYR H . 3 TYR H 1 1 16 1 1 1 1 2 VAL MG2 . 2 VAL QG2 1 1 16 1 2 1 1 5 TYR H . 5 TYR H 1 1 17 1 1 1 1 3 TYR H . 3 TYR H 1 1 17 1 2 1 1 3 TYR QB . 3 TYR QB 1 1 18 1 1 1 1 3 TYR H . 3 TYR H 1 1 18 1 2 1 1 4 VAL H . 4 VAL H 1 1 19 1 1 1 1 3 TYR HA . 3 TYR HA 1 1 19 1 2 1 1 4 VAL H . 4 VAL H 1 1 20 1 1 1 1 3 TYR HA . 3 TYR HA 1 1 20 1 2 1 1 6 SER H . 6 SER H 1 1 21 1 1 1 1 3 TYR QB . 3 TYR QB 1 1 21 1 2 1 1 4 VAL H . 4 VAL H 1 1 22 1 1 1 1 4 VAL H . 4 VAL H 1 1 22 1 2 1 1 4 VAL HB . 4 VAL HB 1 1 23 1 1 1 1 4 VAL H . 4 VAL H 1 1 23 1 2 1 1 4 VAL MG1 . 4 VAL QG1 1 1 24 1 1 1 1 4 VAL H . 4 VAL H 1 1 24 1 2 1 1 4 VAL MG2 . 4 VAL QG2 1 1 25 1 1 1 1 4 VAL H . 4 VAL H 1 1 25 1 2 1 1 5 TYR H . 5 TYR H 1 1 26 1 1 1 1 4 VAL HA . 4 VAL HA 1 1 26 1 2 1 1 5 TYR H . 5 TYR H 1 1 27 1 1 1 1 4 VAL HA . 4 VAL HA 1 1 27 1 2 1 1 7 ARG H . 7 ARG H 1 1 28 1 1 1 1 4 VAL HB . 4 VAL HB 1 1 28 1 2 1 1 5 TYR H . 5 TYR H 1 1 29 1 1 1 1 5 TYR H . 5 TYR H 1 1 29 1 2 1 1 5 TYR QB . 5 TYR QB 1 1 30 1 1 1 1 5 TYR H . 5 TYR H 1 1 30 1 2 1 1 6 SER H . 6 SER H 1 1 31 1 1 1 1 5 TYR HA . 5 TYR HA 1 1 31 1 2 1 1 6 SER H . 6 SER H 1 1 32 1 1 1 1 5 TYR QB . 5 TYR QB 1 1 32 1 2 1 1 6 SER H . 6 SER H 1 1 33 1 1 1 1 6 SER H . 6 SER H 1 1 33 1 2 1 1 6 SER QB . 6 SER QB 1 1 34 1 1 1 1 6 SER H . 6 SER H 1 1 34 1 2 1 1 7 ARG H . 7 ARG H 1 1 35 1 1 1 1 6 SER HA . 6 SER HA 1 1 35 1 2 1 1 7 ARG H . 7 ARG H 1 1 36 1 1 1 1 6 SER QB . 6 SER QB 1 1 36 1 2 1 1 7 ARG H . 7 ARG H 1 1 37 1 1 1 1 7 ARG H . 7 ARG H 1 1 37 1 2 1 1 7 ARG QB . 7 ARG QB 1 1 38 1 1 1 1 7 ARG H . 7 ARG H 1 1 38 1 2 1 1 7 ARG QD . 7 ARG QD 1 1 39 1 1 1 1 7 ARG H . 7 ARG H 1 1 39 1 2 1 1 7 ARG QG . 7 ARG QG 1 1 40 1 1 1 1 7 ARG H . 7 ARG H 1 1 40 1 2 1 1 8 VAL H . 8 VAL H 1 1 41 1 1 1 1 7 ARG HA . 7 ARG HA 1 1 41 1 2 1 1 8 VAL H . 8 VAL H 1 1 42 1 1 1 1 7 ARG QB . 7 ARG QB 1 1 42 1 2 1 1 8 VAL H . 8 VAL H 1 1 43 1 1 1 1 7 ARG QG . 7 ARG QG 1 1 43 1 2 1 1 8 VAL H . 8 VAL H 1 1 44 1 1 1 1 8 VAL H . 8 VAL H 1 1 44 1 2 1 1 8 VAL HB . 8 VAL HB 1 1 45 1 1 1 1 8 VAL H . 8 VAL H 1 1 45 1 2 1 1 8 VAL MG1 . 8 VAL QG1 1 1 46 1 1 1 1 8 VAL H . 8 VAL H 1 1 46 1 2 1 1 8 VAL MG2 . 8 VAL QG2 1 1 47 1 1 1 1 8 VAL H . 8 VAL H 1 1 47 1 2 1 1 9 LYS H . 9 LYS H 1 1 48 1 1 1 1 8 VAL HA . 8 VAL HA 1 1 48 1 2 1 1 9 LYS H . 9 LYS H 1 1 49 1 1 1 1 8 VAL HB . 8 VAL HB 1 1 49 1 2 1 1 9 LYS H . 9 LYS H 1 1 50 1 1 1 1 8 VAL MG1 . 8 VAL QG1 1 1 50 1 2 1 1 9 LYS H . 9 LYS H 1 1 51 1 1 1 1 8 VAL MG2 . 8 VAL QG2 1 1 51 1 2 1 1 9 LYS H . 9 LYS H 1 1 52 1 1 1 1 9 LYS H . 9 LYS H 1 1 52 1 2 1 1 9 LYS QB . 9 LYS QB 1 1 53 1 1 1 1 9 LYS H . 9 LYS H 1 1 53 1 2 1 1 9 LYS QD . 9 LYS QD 1 1 54 1 1 1 1 9 LYS H . 9 LYS H 1 1 54 1 2 1 1 9 LYS QG . 9 LYS QG 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 . . . . . . . 3.3 1 1 2 1 . . . . . . . 3.8 1 1 3 1 . . . . . . . 2.8 1 1 4 1 . . . . . . . 3.6 1 1 5 1 . . . . . . . 4.6 1 1 6 1 . . . . . . . 3.5 1 1 7 1 . . . . . . . 3.8 1 1 8 1 . . . . . . . 3.6 1 1 9 1 . . . . . . . 2.8 1 1 10 1 . . . . . . . 3.7 1 1 11 1 . . . . . . . 4.2 1 1 12 1 . . . . . . . 4.3 1 1 13 1 . . . . . . . 3.2 1 1 14 1 . . . . . . . 5.3 1 1 15 1 . . . . . . . 3.1 1 1 16 1 . . . . . . . 4.8 1 1 17 1 . . . . . . . 3.7 1 1 18 1 . . . . . . . 2.8 1 1 19 1 . . . . . . . 3.5 1 1 20 1 . . . . . . . 3.2 1 1 21 1 . . . . . . . 3.3 1 1 22 1 . . . . . . . 3.5 1 1 23 1 . . . . . . . 3.6 1 1 24 1 . . . . . . . 3.6 1 1 25 1 . . . . . . . 2.8 1 1 26 1 . . . . . . . 3.5 1 1 27 1 . . . . . . . 3.7 1 1 28 1 . . . . . . . 3.3 1 1 29 1 . . . . . . . 3.4 1 1 30 1 . . . . . . . 2.8 1 1 31 1 . . . . . . . 3.3 1 1 32 1 . . . . . . . 3.3 1 1 33 1 . . . . . . . 3.0 1 1 34 1 . . . . . . . 2.8 1 1 35 1 . . . . . . . 3.4 1 1 36 1 . . . . . . . 3.3 1 1 37 1 . . . . . . . 3.0 1 1 38 1 . . . . . . . 4.3 1 1 39 1 . . . . . . . 3.4 1 1 40 1 . . . . . . . 2.8 1 1 41 1 . . . . . . . 3.4 1 1 42 1 . . . . . . . 3.0 1 1 43 1 . . . . . . . 3.4 1 1 44 1 . . . . . . . 3.0 1 1 45 1 . . . . . . . 3.6 1 1 46 1 . . . . . . . 3.6 1 1 47 1 . . . . . . . 2.8 1 1 48 1 . . . . . . . 3.4 1 1 49 1 . . . . . . . 3.0 1 1 50 1 . . . . . . . 3.8 1 1 51 1 . . . . . . . 3.8 1 1 52 1 . . . . . . . 3.0 1 1 53 1 . . . . . . . 3.8 1 1 54 1 . . . . . . . 3.6 1 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _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 PHI 1 1 1 THR C 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C -80.0 -60.0 . 2 VAL . . 2 VAL . . 2 VAL . . 2 VAL . 1 1 2 PSI 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C 1 1 3 TYR N -40.0 -20.0 . 2 VAL . . 2 VAL . . 2 VAL . . 2 VAL . 1 1 3 PHI 1 1 2 VAL C 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C -80.0 -60.0 . 3 TYR . . 3 TYR . . 3 TYR . . 3 TYR . 1 1 4 PSI 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C 1 1 4 VAL N -40.0 -20.0 . 3 TYR . . 3 TYR . . 3 TYR . . 3 TYR . 1 1 5 PHI 1 1 3 TYR C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -80.0 -60.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1 6 PSI 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C 1 1 5 TYR N -40.0 -20.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1 7 PHI 1 1 4 VAL C 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR C -80.0 -60.0 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1 8 PSI 1 1 5 TYR N 1 1 5 TYR CA 1 1 5 TYR C 1 1 6 SER N -40.0 -20.0 . 5 TYR . . 5 TYR . . 5 TYR . . 5 TYR . 1 1 9 PHI 1 1 5 TYR C 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C -80.0 -60.0 . 6 SER . . 6 SER . . 6 SER . . 6 SER . 1 1 10 PSI 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C 1 1 7 ARG N -40.0 -20.0 . 6 SER . . 6 SER . . 6 SER . . 6 SER . 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 THR C C 2.803 -1.333 -1.450 1.00 . A A . 1 THR C 1 1 1 2 1 1 1 THR CA C 2.094 0.000 -1.241 1.00 . A A . 1 THR CA 1 1 1 3 1 1 1 THR CB C 3.138 1.132 -1.257 1.00 . A A . 1 THR CB 1 1 1 4 1 1 1 THR CG2 C 3.104 1.880 -2.582 1.00 . A A . 1 THR CG2 1 1 1 5 1 1 1 THR H1 H 1.806 0.001 0.856 1.00 . A A . 1 THR H1 1 1 1 6 1 1 1 THR HA H 1.405 0.162 -2.057 1.00 . A A . 1 THR HA 1 1 1 7 1 1 1 THR HB H 4.120 0.698 -1.131 1.00 . A A . 1 THR HB 1 1 1 8 1 1 1 THR HG1 H 3.012 1.592 0.656 1.00 . A A . 1 THR HG1 1 1 1 9 1 1 1 THR HG21 H 4.113 2.113 -2.890 1.00 . A A . 1 THR HG21 1 1 1 10 1 1 1 THR HG22 H 2.544 2.796 -2.463 1.00 . A A . 1 THR HG22 1 1 1 11 1 1 1 THR HG23 H 2.633 1.263 -3.331 1.00 . A A . 1 THR HG23 1 1 1 12 1 1 1 THR N N 1.329 0.000 0.000 1.00 . A A . 1 THR N 1 1 1 13 1 1 1 THR O O 2.647 -2.262 -0.657 1.00 . A A . 1 THR O 1 1 1 14 1 1 1 THR OG1 O 2.889 2.044 -0.182 1.00 . A A . 1 THR OG1 1 1 1 15 1 1 2 VAL C C 5.727 -2.598 -2.253 1.00 . A A . 2 VAL C 1 1 1 16 1 1 2 VAL CA C 4.319 -2.641 -2.834 1.00 . A A . 2 VAL CA 1 1 1 17 1 1 2 VAL CB C 4.410 -2.867 -4.355 1.00 . A A . 2 VAL CB 1 1 1 18 1 1 2 VAL CG1 C 4.535 -4.351 -4.668 1.00 . A A . 2 VAL CG1 1 1 1 19 1 1 2 VAL CG2 C 3.201 -2.267 -5.057 1.00 . A A . 2 VAL CG2 1 1 1 20 1 1 2 VAL H H 3.668 -0.647 -3.117 1.00 . A A . 2 VAL H 1 1 1 21 1 1 2 VAL HA H 3.785 -3.473 -2.399 1.00 . A A . 2 VAL HA 1 1 1 22 1 1 2 VAL HB H 5.296 -2.369 -4.720 1.00 . A A . 2 VAL HB 1 1 1 23 1 1 2 VAL HG11 H 5.397 -4.514 -5.298 1.00 . A A . 2 VAL HG11 1 1 1 24 1 1 2 VAL HG12 H 4.650 -4.905 -3.748 1.00 . A A . 2 VAL HG12 1 1 1 25 1 1 2 VAL HG13 H 3.646 -4.686 -5.182 1.00 . A A . 2 VAL HG13 1 1 1 26 1 1 2 VAL HG21 H 3.158 -2.630 -6.072 1.00 . A A . 2 VAL HG21 1 1 1 27 1 1 2 VAL HG22 H 2.301 -2.554 -4.533 1.00 . A A . 2 VAL HG22 1 1 1 28 1 1 2 VAL HG23 H 3.286 -1.190 -5.062 1.00 . A A . 2 VAL HG23 1 1 1 29 1 1 2 VAL N N 3.584 -1.421 -2.522 1.00 . A A . 2 VAL N 1 1 1 30 1 1 2 VAL O O 6.072 -3.389 -1.374 1.00 . A A . 2 VAL O 1 1 1 31 1 1 3 TYR C C 7.947 -1.254 -0.777 1.00 . A A . 3 TYR C 1 1 1 32 1 1 3 TYR CA C 7.910 -1.524 -2.278 1.00 . A A . 3 TYR CA 1 1 1 33 1 1 3 TYR CB C 8.611 -0.390 -3.028 1.00 . A A . 3 TYR CB 1 1 1 34 1 1 3 TYR CD1 C 11.121 -0.427 -3.296 1.00 . A A . 3 TYR CD1 1 1 1 35 1 1 3 TYR CD2 C 9.804 -1.633 -4.874 1.00 . A A . 3 TYR CD2 1 1 1 36 1 1 3 TYR CE1 C 12.273 -0.821 -3.949 1.00 . A A . 3 TYR CE1 1 1 1 37 1 1 3 TYR CE2 C 10.950 -2.034 -5.532 1.00 . A A . 3 TYR CE2 1 1 1 38 1 1 3 TYR CG C 9.868 -0.825 -3.746 1.00 . A A . 3 TYR CG 1 1 1 39 1 1 3 TYR CZ C 12.182 -1.625 -5.066 1.00 . A A . 3 TYR CZ 1 1 1 40 1 1 3 TYR H H 6.205 -1.068 -3.446 1.00 . A A . 3 TYR H 1 1 1 41 1 1 3 TYR HA H 8.429 -2.449 -2.478 1.00 . A A . 3 TYR HA 1 1 1 42 1 1 3 TYR HB2 H 7.934 0.018 -3.764 1.00 . A A . 3 TYR HB2 1 1 1 43 1 1 3 TYR HB3 H 8.880 0.385 -2.326 1.00 . A A . 3 TYR HB3 1 1 1 44 1 1 3 TYR HD1 H 11.189 0.203 -2.421 1.00 . A A . 3 TYR HD1 1 1 1 45 1 1 3 TYR HD2 H 8.837 -1.951 -5.237 1.00 . A A . 3 TYR HD2 1 1 1 46 1 1 3 TYR HE1 H 13.238 -0.501 -3.584 1.00 . A A . 3 TYR HE1 1 1 1 47 1 1 3 TYR HE2 H 10.880 -2.663 -6.407 1.00 . A A . 3 TYR HE2 1 1 1 48 1 1 3 TYR HH H 13.148 -2.817 -6.225 1.00 . A A . 3 TYR HH 1 1 1 49 1 1 3 TYR N N 6.537 -1.669 -2.747 1.00 . A A . 3 TYR N 1 1 1 50 1 1 3 TYR O O 8.889 -1.643 -0.087 1.00 . A A . 3 TYR O 1 1 1 51 1 1 3 TYR OH O 13.327 -2.020 -5.720 1.00 . A A . 3 TYR OH 1 1 1 52 1 1 4 VAL C C 6.587 -1.517 1.976 1.00 . A A . 4 VAL C 1 1 1 53 1 1 4 VAL CA C 6.824 -0.263 1.143 1.00 . A A . 4 VAL CA 1 1 1 54 1 1 4 VAL CB C 5.694 0.746 1.420 1.00 . A A . 4 VAL CB 1 1 1 55 1 1 4 VAL CG1 C 5.527 0.963 2.916 1.00 . A A . 4 VAL CG1 1 1 1 56 1 1 4 VAL CG2 C 5.969 2.063 0.710 1.00 . A A . 4 VAL CG2 1 1 1 57 1 1 4 VAL H H 6.192 -0.300 -0.877 1.00 . A A . 4 VAL H 1 1 1 58 1 1 4 VAL HA H 7.760 0.186 1.443 1.00 . A A . 4 VAL HA 1 1 1 59 1 1 4 VAL HB H 4.772 0.338 1.032 1.00 . A A . 4 VAL HB 1 1 1 60 1 1 4 VAL HG11 H 6.466 1.287 3.340 1.00 . A A . 4 VAL HG11 1 1 1 61 1 1 4 VAL HG12 H 4.772 1.716 3.089 1.00 . A A . 4 VAL HG12 1 1 1 62 1 1 4 VAL HG13 H 5.224 0.036 3.382 1.00 . A A . 4 VAL HG13 1 1 1 63 1 1 4 VAL HG21 H 5.375 2.117 -0.190 1.00 . A A . 4 VAL HG21 1 1 1 64 1 1 4 VAL HG22 H 5.711 2.885 1.362 1.00 . A A . 4 VAL HG22 1 1 1 65 1 1 4 VAL HG23 H 7.017 2.122 0.454 1.00 . A A . 4 VAL HG23 1 1 1 66 1 1 4 VAL N N 6.913 -0.584 -0.277 1.00 . A A . 4 VAL N 1 1 1 67 1 1 4 VAL O O 7.023 -1.604 3.124 1.00 . A A . 4 VAL O 1 1 1 68 1 1 5 TYR C C 6.727 -4.745 1.893 1.00 . A A . 5 TYR C 1 1 1 69 1 1 5 TYR CA C 5.597 -3.737 2.080 1.00 . A A . 5 TYR CA 1 1 1 70 1 1 5 TYR CB C 4.282 -4.327 1.567 1.00 . A A . 5 TYR CB 1 1 1 71 1 1 5 TYR CD1 C 3.880 -6.820 1.567 1.00 . A A . 5 TYR CD1 1 1 1 72 1 1 5 TYR CD2 C 3.516 -5.622 3.595 1.00 . A A . 5 TYR CD2 1 1 1 73 1 1 5 TYR CE1 C 3.518 -7.998 2.192 1.00 . A A . 5 TYR CE1 1 1 1 74 1 1 5 TYR CE2 C 3.154 -6.795 4.229 1.00 . A A . 5 TYR CE2 1 1 1 75 1 1 5 TYR CG C 3.886 -5.613 2.256 1.00 . A A . 5 TYR CG 1 1 1 76 1 1 5 TYR CZ C 3.156 -7.980 3.523 1.00 . A A . 5 TYR CZ 1 1 1 77 1 1 5 TYR H H 5.573 -2.360 0.474 1.00 . A A . 5 TYR H 1 1 1 78 1 1 5 TYR HA H 5.495 -3.519 3.133 1.00 . A A . 5 TYR HA 1 1 1 79 1 1 5 TYR HB2 H 3.490 -3.611 1.721 1.00 . A A . 5 TYR HB2 1 1 1 80 1 1 5 TYR HB3 H 4.376 -4.532 0.510 1.00 . A A . 5 TYR HB3 1 1 1 81 1 1 5 TYR HD1 H 4.164 -6.831 0.525 1.00 . A A . 5 TYR HD1 1 1 1 82 1 1 5 TYR HD2 H 3.515 -4.692 4.145 1.00 . A A . 5 TYR HD2 1 1 1 83 1 1 5 TYR HE1 H 3.520 -8.926 1.640 1.00 . A A . 5 TYR HE1 1 1 1 84 1 1 5 TYR HE2 H 2.870 -6.781 5.271 1.00 . A A . 5 TYR HE2 1 1 1 85 1 1 5 TYR HH H 2.107 -9.587 3.642 1.00 . A A . 5 TYR HH 1 1 1 86 1 1 5 TYR N N 5.894 -2.487 1.391 1.00 . A A . 5 TYR N 1 1 1 87 1 1 5 TYR O O 6.799 -5.752 2.597 1.00 . A A . 5 TYR O 1 1 1 88 1 1 5 TYR OH O 2.795 -9.150 4.150 1.00 . A A . 5 TYR OH 1 1 1 89 1 1 6 SER C C 9.960 -4.941 1.467 1.00 . A A . 6 SER C 1 1 1 90 1 1 6 SER CA C 8.734 -5.347 0.655 1.00 . A A . 6 SER CA 1 1 1 91 1 1 6 SER CB C 9.066 -5.321 -0.839 1.00 . A A . 6 SER CB 1 1 1 92 1 1 6 SER H H 7.497 -3.646 0.410 1.00 . A A . 6 SER H 1 1 1 93 1 1 6 SER HA H 8.448 -6.350 0.933 1.00 . A A . 6 SER HA 1 1 1 94 1 1 6 SER HB2 H 8.954 -4.314 -1.212 1.00 . A A . 6 SER HB2 1 1 1 95 1 1 6 SER HB3 H 10.086 -5.647 -0.983 1.00 . A A . 6 SER HB3 1 1 1 96 1 1 6 SER HG H 8.638 -7.022 -1.710 1.00 . A A . 6 SER HG 1 1 1 97 1 1 6 SER N N 7.608 -4.465 0.938 1.00 . A A . 6 SER N 1 1 1 98 1 1 6 SER O O 10.890 -5.729 1.644 1.00 . A A . 6 SER O 1 1 1 99 1 1 6 SER OG O 8.205 -6.177 -1.568 1.00 . A A . 6 SER OG 1 1 1 100 1 1 7 ARG C C 11.188 -3.953 4.069 1.00 . A A . 7 ARG C 1 1 1 101 1 1 7 ARG CA C 11.066 -3.195 2.751 1.00 . A A . 7 ARG CA 1 1 1 102 1 1 7 ARG CB C 10.880 -1.701 3.025 1.00 . A A . 7 ARG CB 1 1 1 103 1 1 7 ARG CD C 10.438 -1.262 5.460 1.00 . A A . 7 ARG CD 1 1 1 104 1 1 7 ARG CG C 9.824 -1.402 4.076 1.00 . A A . 7 ARG CG 1 1 1 105 1 1 7 ARG CZ C 11.021 0.518 7.052 1.00 . A A . 7 ARG CZ 1 1 1 106 1 1 7 ARG H H 9.185 -3.125 1.783 1.00 . A A . 7 ARG H 1 1 1 107 1 1 7 ARG HA H 11.973 -3.337 2.182 1.00 . A A . 7 ARG HA 1 1 1 108 1 1 7 ARG HB2 H 11.819 -1.289 3.363 1.00 . A A . 7 ARG HB2 1 1 1 109 1 1 7 ARG HB3 H 10.591 -1.212 2.106 1.00 . A A . 7 ARG HB3 1 1 1 110 1 1 7 ARG HD2 H 9.850 -1.837 6.160 1.00 . A A . 7 ARG HD2 1 1 1 111 1 1 7 ARG HD3 H 11.446 -1.651 5.432 1.00 . A A . 7 ARG HD3 1 1 1 112 1 1 7 ARG HE H 10.081 0.804 5.316 1.00 . A A . 7 ARG HE 1 1 1 113 1 1 7 ARG HG2 H 9.326 -0.478 3.820 1.00 . A A . 7 ARG HG2 1 1 1 114 1 1 7 ARG HG3 H 9.105 -2.208 4.090 1.00 . A A . 7 ARG HG3 1 1 1 115 1 1 7 ARG HH11 H 11.571 -1.341 7.617 1.00 . A A . 7 ARG HH11 1 1 1 116 1 1 7 ARG HH12 H 11.975 -0.077 8.731 1.00 . A A . 7 ARG HH12 1 1 1 117 1 1 7 ARG HH21 H 10.608 2.477 6.773 1.00 . A A . 7 ARG HH21 1 1 1 118 1 1 7 ARG HH22 H 11.426 2.095 8.250 1.00 . A A . 7 ARG HH22 1 1 1 119 1 1 7 ARG N N 9.955 -3.706 1.958 1.00 . A A . 7 ARG N 1 1 1 120 1 1 7 ARG NE N 10.478 0.128 5.903 1.00 . A A . 7 ARG NE 1 1 1 121 1 1 7 ARG NH1 N 11.566 -0.373 7.867 1.00 . A A . 7 ARG NH1 1 1 1 122 1 1 7 ARG NH2 N 11.018 1.802 7.386 1.00 . A A . 7 ARG NH2 1 1 1 123 1 1 7 ARG O O 12.282 -4.098 4.615 1.00 . A A . 7 ARG O 1 1 1 124 1 1 8 VAL C C 10.969 -6.384 5.769 1.00 . A A . 8 VAL C 1 1 1 125 1 1 8 VAL CA C 10.038 -5.178 5.830 1.00 . A A . 8 VAL CA 1 1 1 126 1 1 8 VAL CB C 8.616 -5.658 6.175 1.00 . A A . 8 VAL CB 1 1 1 127 1 1 8 VAL CG1 C 8.577 -6.250 7.576 1.00 . A A . 8 VAL CG1 1 1 1 128 1 1 8 VAL CG2 C 7.621 -4.514 6.043 1.00 . A A . 8 VAL CG2 1 1 1 129 1 1 8 VAL H H 9.217 -4.286 4.095 1.00 . A A . 8 VAL H 1 1 1 130 1 1 8 VAL HA H 10.373 -4.517 6.616 1.00 . A A . 8 VAL HA 1 1 1 131 1 1 8 VAL HB H 8.338 -6.431 5.474 1.00 . A A . 8 VAL HB 1 1 1 132 1 1 8 VAL HG11 H 7.622 -6.033 8.032 1.00 . A A . 8 VAL HG11 1 1 1 133 1 1 8 VAL HG12 H 8.716 -7.319 7.519 1.00 . A A . 8 VAL HG12 1 1 1 134 1 1 8 VAL HG13 H 9.366 -5.815 8.172 1.00 . A A . 8 VAL HG13 1 1 1 135 1 1 8 VAL HG21 H 6.792 -4.680 6.715 1.00 . A A . 8 VAL HG21 1 1 1 136 1 1 8 VAL HG22 H 8.107 -3.583 6.296 1.00 . A A . 8 VAL HG22 1 1 1 137 1 1 8 VAL HG23 H 7.259 -4.467 5.027 1.00 . A A . 8 VAL HG23 1 1 1 138 1 1 8 VAL N N 10.058 -4.434 4.576 1.00 . A A . 8 VAL N 1 1 1 139 1 1 8 VAL O O 11.557 -6.780 6.775 1.00 . A A . 8 VAL O 1 1 1 140 1 1 9 LYS C C 13.426 -7.713 4.338 1.00 . A A . 9 LYS C 1 1 1 141 1 1 9 LYS CA C 11.958 -8.125 4.385 1.00 . A A . 9 LYS CA 1 1 1 142 1 1 9 LYS CB C 11.581 -8.854 3.093 1.00 . A A . 9 LYS CB 1 1 1 143 1 1 9 LYS CD C 9.552 -10.042 3.978 1.00 . A A . 9 LYS CD 1 1 1 144 1 1 9 LYS CE C 9.847 -11.486 3.604 1.00 . A A . 9 LYS CE 1 1 1 145 1 1 9 LYS CG C 10.086 -9.075 2.934 1.00 . A A . 9 LYS CG 1 1 1 146 1 1 9 LYS H H 10.602 -6.603 3.815 1.00 . A A . 9 LYS H 1 1 1 147 1 1 9 LYS HA H 11.810 -8.792 5.221 1.00 . A A . 9 LYS HA 1 1 1 148 1 1 9 LYS HB2 H 11.929 -8.274 2.252 1.00 . A A . 9 LYS HB2 1 1 1 149 1 1 9 LYS HB3 H 12.069 -9.818 3.082 1.00 . A A . 9 LYS HB3 1 1 1 150 1 1 9 LYS HD2 H 10.017 -9.825 4.928 1.00 . A A . 9 LYS HD2 1 1 1 151 1 1 9 LYS HD3 H 8.482 -9.912 4.061 1.00 . A A . 9 LYS HD3 1 1 1 152 1 1 9 LYS HE2 H 8.936 -12.059 3.686 1.00 . A A . 9 LYS HE2 1 1 1 153 1 1 9 LYS HE3 H 10.199 -11.515 2.583 1.00 . A A . 9 LYS HE3 1 1 1 154 1 1 9 LYS HG2 H 9.578 -8.129 3.041 1.00 . A A . 9 LYS HG2 1 1 1 155 1 1 9 LYS HG3 H 9.894 -9.480 1.950 1.00 . A A . 9 LYS HG3 1 1 1 156 1 1 9 LYS HZ1 H 10.923 -13.117 4.343 1.00 . A A . 9 LYS HZ1 1 1 1 157 1 1 9 LYS HZ2 H 10.649 -11.902 5.487 1.00 . A A . 9 LYS HZ2 1 1 1 158 1 1 9 LYS HZ3 H 11.814 -11.680 4.281 1.00 . A A . 9 LYS HZ3 1 1 1 159 1 1 9 LYS N N 11.097 -6.965 4.580 1.00 . A A . 9 LYS N 1 1 1 160 1 1 9 LYS NZ N 10.881 -12.088 4.491 1.00 . A A . 9 LYS NZ 1 1 1 161 1 1 9 LYS O O 13.786 -6.741 3.674 1.00 . A A . 9 LYS O 1 1 2 162 1 1 1 THR C C 3.473 -2.508 -1.210 1.00 . A A . 1 THR C 1 1 2 163 1 1 1 THR CA C 2.489 -1.378 -0.928 1.00 . A A . 1 THR CA 1 1 2 164 1 1 1 THR CB C 3.272 -0.062 -0.758 1.00 . A A . 1 THR CB 1 1 2 165 1 1 1 THR CG2 C 3.109 0.826 -1.983 1.00 . A A . 1 THR CG2 1 1 2 166 1 1 1 THR H1 H 2.055 -1.521 1.139 1.00 . A A . 1 THR H1 1 1 2 167 1 1 1 THR HA H 1.826 -1.272 -1.774 1.00 . A A . 1 THR HA 1 1 2 168 1 1 1 THR HB H 4.320 -0.297 -0.639 1.00 . A A . 1 THR HB 1 1 2 169 1 1 1 THR HG1 H 1.888 0.429 0.558 1.00 . A A . 1 THR HG1 1 1 2 170 1 1 1 THR HG21 H 3.901 0.617 -2.687 1.00 . A A . 1 THR HG21 1 1 2 171 1 1 1 THR HG22 H 3.156 1.863 -1.684 1.00 . A A . 1 THR HG22 1 1 2 172 1 1 1 THR HG23 H 2.154 0.628 -2.446 1.00 . A A . 1 THR HG23 1 1 2 173 1 1 1 THR N N 1.677 -1.669 0.247 1.00 . A A . 1 THR N 1 1 2 174 1 1 1 THR O O 3.512 -3.505 -0.488 1.00 . A A . 1 THR O 1 1 2 175 1 1 1 THR OG1 O 2.814 0.634 0.406 1.00 . A A . 1 THR OG1 1 1 2 176 1 1 2 VAL C C 6.605 -3.064 -1.998 1.00 . A A . 2 VAL C 1 1 2 177 1 1 2 VAL CA C 5.252 -3.353 -2.640 1.00 . A A . 2 VAL CA 1 1 2 178 1 1 2 VAL CB C 5.426 -3.424 -4.169 1.00 . A A . 2 VAL CB 1 1 2 179 1 1 2 VAL CG1 C 5.871 -4.816 -4.591 1.00 . A A . 2 VAL CG1 1 1 2 180 1 1 2 VAL CG2 C 4.134 -3.033 -4.870 1.00 . A A . 2 VAL CG2 1 1 2 181 1 1 2 VAL H H 4.188 -1.531 -2.801 1.00 . A A . 2 VAL H 1 1 2 182 1 1 2 VAL HA H 4.898 -4.313 -2.294 1.00 . A A . 2 VAL HA 1 1 2 183 1 1 2 VAL HB H 6.194 -2.722 -4.456 1.00 . A A . 2 VAL HB 1 1 2 184 1 1 2 VAL HG11 H 5.279 -5.556 -4.073 1.00 . A A . 2 VAL HG11 1 1 2 185 1 1 2 VAL HG12 H 5.739 -4.929 -5.657 1.00 . A A . 2 VAL HG12 1 1 2 186 1 1 2 VAL HG13 H 6.913 -4.951 -4.341 1.00 . A A . 2 VAL HG13 1 1 2 187 1 1 2 VAL HG21 H 4.195 -3.306 -5.913 1.00 . A A . 2 VAL HG21 1 1 2 188 1 1 2 VAL HG22 H 3.304 -3.549 -4.411 1.00 . A A . 2 VAL HG22 1 1 2 189 1 1 2 VAL HG23 H 3.986 -1.967 -4.785 1.00 . A A . 2 VAL HG23 1 1 2 190 1 1 2 VAL N N 4.267 -2.347 -2.264 1.00 . A A . 2 VAL N 1 1 2 191 1 1 2 VAL O O 7.089 -3.837 -1.172 1.00 . A A . 2 VAL O 1 1 2 192 1 1 3 TYR C C 8.430 -1.331 -0.341 1.00 . A A . 3 TYR C 1 1 2 193 1 1 3 TYR CA C 8.508 -1.556 -1.848 1.00 . A A . 3 TYR CA 1 1 2 194 1 1 3 TYR CB C 9.008 -0.286 -2.540 1.00 . A A . 3 TYR CB 1 1 2 195 1 1 3 TYR CD1 C 10.588 -1.185 -4.291 1.00 . A A . 3 TYR CD1 1 1 2 196 1 1 3 TYR CD2 C 8.642 -0.022 -5.024 1.00 . A A . 3 TYR CD2 1 1 2 197 1 1 3 TYR CE1 C 10.970 -1.384 -5.604 1.00 . A A . 3 TYR CE1 1 1 2 198 1 1 3 TYR CE2 C 9.014 -0.217 -6.340 1.00 . A A . 3 TYR CE2 1 1 2 199 1 1 3 TYR CG C 9.420 -0.502 -3.978 1.00 . A A . 3 TYR CG 1 1 2 200 1 1 3 TYR CZ C 10.179 -0.899 -6.625 1.00 . A A . 3 TYR CZ 1 1 2 201 1 1 3 TYR H H 6.774 -1.371 -3.047 1.00 . A A . 3 TYR H 1 1 2 202 1 1 3 TYR HA H 9.203 -2.359 -2.046 1.00 . A A . 3 TYR HA 1 1 2 203 1 1 3 TYR HB2 H 8.223 0.454 -2.528 1.00 . A A . 3 TYR HB2 1 1 2 204 1 1 3 TYR HB3 H 9.864 0.095 -2.002 1.00 . A A . 3 TYR HB3 1 1 2 205 1 1 3 TYR HD1 H 11.206 -1.565 -3.490 1.00 . A A . 3 TYR HD1 1 1 2 206 1 1 3 TYR HD2 H 7.730 0.512 -4.797 1.00 . A A . 3 TYR HD2 1 1 2 207 1 1 3 TYR HE1 H 11.881 -1.918 -5.828 1.00 . A A . 3 TYR HE1 1 1 2 208 1 1 3 TYR HE2 H 8.396 0.163 -7.139 1.00 . A A . 3 TYR HE2 1 1 2 209 1 1 3 TYR HH H 9.771 -1.214 -8.477 1.00 . A A . 3 TYR HH 1 1 2 210 1 1 3 TYR N N 7.210 -1.947 -2.384 1.00 . A A . 3 TYR N 1 1 2 211 1 1 3 TYR O O 9.401 -1.554 0.382 1.00 . A A . 3 TYR O 1 1 2 212 1 1 3 TYR OH O 10.554 -1.095 -7.934 1.00 . A A . 3 TYR OH 1 1 2 213 1 1 4 VAL C C 7.043 -1.936 2.340 1.00 . A A . 4 VAL C 1 1 2 214 1 1 4 VAL CA C 7.059 -0.635 1.546 1.00 . A A . 4 VAL CA 1 1 2 215 1 1 4 VAL CB C 5.741 0.122 1.794 1.00 . A A . 4 VAL CB 1 1 2 216 1 1 4 VAL CG1 C 5.476 0.258 3.286 1.00 . A A . 4 VAL CG1 1 1 2 217 1 1 4 VAL CG2 C 5.776 1.486 1.123 1.00 . A A . 4 VAL CG2 1 1 2 218 1 1 4 VAL H H 6.530 -0.730 -0.501 1.00 . A A . 4 VAL H 1 1 2 219 1 1 4 VAL HA H 7.875 -0.020 1.897 1.00 . A A . 4 VAL HA 1 1 2 220 1 1 4 VAL HB H 4.934 -0.450 1.359 1.00 . A A . 4 VAL HB 1 1 2 221 1 1 4 VAL HG11 H 6.314 0.753 3.755 1.00 . A A . 4 VAL HG11 1 1 2 222 1 1 4 VAL HG12 H 4.579 0.840 3.441 1.00 . A A . 4 VAL HG12 1 1 2 223 1 1 4 VAL HG13 H 5.349 -0.722 3.720 1.00 . A A . 4 VAL HG13 1 1 2 224 1 1 4 VAL HG21 H 6.354 1.425 0.213 1.00 . A A . 4 VAL HG21 1 1 2 225 1 1 4 VAL HG22 H 4.768 1.798 0.888 1.00 . A A . 4 VAL HG22 1 1 2 226 1 1 4 VAL HG23 H 6.228 2.205 1.790 1.00 . A A . 4 VAL HG23 1 1 2 227 1 1 4 VAL N N 7.267 -0.889 0.125 1.00 . A A . 4 VAL N 1 1 2 228 1 1 4 VAL O O 7.382 -1.958 3.523 1.00 . A A . 4 VAL O 1 1 2 229 1 1 5 TYR C C 7.890 -5.093 2.130 1.00 . A A . 5 TYR C 1 1 2 230 1 1 5 TYR CA C 6.586 -4.326 2.326 1.00 . A A . 5 TYR CA 1 1 2 231 1 1 5 TYR CB C 5.415 -5.138 1.769 1.00 . A A . 5 TYR CB 1 1 2 232 1 1 5 TYR CD1 C 3.668 -3.614 2.770 1.00 . A A . 5 TYR CD1 1 1 2 233 1 1 5 TYR CD2 C 3.327 -5.968 2.923 1.00 . A A . 5 TYR CD2 1 1 2 234 1 1 5 TYR CE1 C 2.479 -3.393 3.439 1.00 . A A . 5 TYR CE1 1 1 2 235 1 1 5 TYR CE2 C 2.137 -5.757 3.590 1.00 . A A . 5 TYR CE2 1 1 2 236 1 1 5 TYR CG C 4.113 -4.902 2.500 1.00 . A A . 5 TYR CG 1 1 2 237 1 1 5 TYR CZ C 1.717 -4.468 3.846 1.00 . A A . 5 TYR CZ 1 1 2 238 1 1 5 TYR H H 6.390 -2.939 0.739 1.00 . A A . 5 TYR H 1 1 2 239 1 1 5 TYR HA H 6.430 -4.167 3.383 1.00 . A A . 5 TYR HA 1 1 2 240 1 1 5 TYR HB2 H 5.264 -4.876 0.733 1.00 . A A . 5 TYR HB2 1 1 2 241 1 1 5 TYR HB3 H 5.649 -6.190 1.839 1.00 . A A . 5 TYR HB3 1 1 2 242 1 1 5 TYR HD1 H 4.267 -2.774 2.450 1.00 . A A . 5 TYR HD1 1 1 2 243 1 1 5 TYR HD2 H 3.659 -6.976 2.721 1.00 . A A . 5 TYR HD2 1 1 2 244 1 1 5 TYR HE1 H 2.150 -2.384 3.639 1.00 . A A . 5 TYR HE1 1 1 2 245 1 1 5 TYR HE2 H 1.540 -6.599 3.910 1.00 . A A . 5 TYR HE2 1 1 2 246 1 1 5 TYR HH H 0.176 -3.397 4.265 1.00 . A A . 5 TYR HH 1 1 2 247 1 1 5 TYR N N 6.648 -3.020 1.681 1.00 . A A . 5 TYR N 1 1 2 248 1 1 5 TYR O O 8.143 -6.091 2.804 1.00 . A A . 5 TYR O 1 1 2 249 1 1 5 TYR OH O 0.532 -4.254 4.513 1.00 . A A . 5 TYR OH 1 1 2 250 1 1 6 SER C C 11.010 -4.958 2.008 1.00 . A A . 6 SER C 1 1 2 251 1 1 6 SER CA C 9.991 -5.260 0.913 1.00 . A A . 6 SER CA 1 1 2 252 1 1 6 SER CB C 10.527 -4.791 -0.441 1.00 . A A . 6 SER CB 1 1 2 253 1 1 6 SER H H 8.455 -3.819 0.697 1.00 . A A . 6 SER H 1 1 2 254 1 1 6 SER HA H 9.825 -6.326 0.875 1.00 . A A . 6 SER HA 1 1 2 255 1 1 6 SER HB2 H 10.639 -3.718 -0.430 1.00 . A A . 6 SER HB2 1 1 2 256 1 1 6 SER HB3 H 11.488 -5.251 -0.624 1.00 . A A . 6 SER HB3 1 1 2 257 1 1 6 SER HG H 9.446 -4.371 -2.020 1.00 . A A . 6 SER HG 1 1 2 258 1 1 6 SER N N 8.714 -4.618 1.201 1.00 . A A . 6 SER N 1 1 2 259 1 1 6 SER O O 12.015 -5.656 2.144 1.00 . A A . 6 SER O 1 1 2 260 1 1 6 SER OG O 9.643 -5.147 -1.490 1.00 . A A . 6 SER OG 1 1 2 261 1 1 7 ARG C C 11.427 -4.401 5.095 1.00 . A A . 7 ARG C 1 1 2 262 1 1 7 ARG CA C 11.636 -3.519 3.867 1.00 . A A . 7 ARG CA 1 1 2 263 1 1 7 ARG CB C 11.407 -2.052 4.236 1.00 . A A . 7 ARG CB 1 1 2 264 1 1 7 ARG CD C 9.610 -0.400 4.834 1.00 . A A . 7 ARG CD 1 1 2 265 1 1 7 ARG CG C 10.131 -1.815 5.028 1.00 . A A . 7 ARG CG 1 1 2 266 1 1 7 ARG CZ C 10.176 1.883 5.548 1.00 . A A . 7 ARG CZ 1 1 2 267 1 1 7 ARG H H 9.925 -3.397 2.627 1.00 . A A . 7 ARG H 1 1 2 268 1 1 7 ARG HA H 12.651 -3.639 3.520 1.00 . A A . 7 ARG HA 1 1 2 269 1 1 7 ARG HB2 H 12.241 -1.707 4.828 1.00 . A A . 7 ARG HB2 1 1 2 270 1 1 7 ARG HB3 H 11.354 -1.469 3.328 1.00 . A A . 7 ARG HB3 1 1 2 271 1 1 7 ARG HD2 H 9.715 -0.131 3.793 1.00 . A A . 7 ARG HD2 1 1 2 272 1 1 7 ARG HD3 H 8.565 -0.375 5.108 1.00 . A A . 7 ARG HD3 1 1 2 273 1 1 7 ARG HE H 10.978 0.221 6.303 1.00 . A A . 7 ARG HE 1 1 2 274 1 1 7 ARG HG2 H 9.377 -2.513 4.696 1.00 . A A . 7 ARG HG2 1 1 2 275 1 1 7 ARG HG3 H 10.335 -1.974 6.076 1.00 . A A . 7 ARG HG3 1 1 2 276 1 1 7 ARG HH11 H 8.787 1.770 4.085 1.00 . A A . 7 ARG HH11 1 1 2 277 1 1 7 ARG HH12 H 9.196 3.374 4.598 1.00 . A A . 7 ARG HH12 1 1 2 278 1 1 7 ARG HH21 H 11.525 2.327 6.987 1.00 . A A . 7 ARG HH21 1 1 2 279 1 1 7 ARG HH22 H 10.754 3.690 6.248 1.00 . A A . 7 ARG HH22 1 1 2 280 1 1 7 ARG N N 10.742 -3.914 2.785 1.00 . A A . 7 ARG N 1 1 2 281 1 1 7 ARG NE N 10.338 0.569 5.649 1.00 . A A . 7 ARG NE 1 1 2 282 1 1 7 ARG NH1 N 9.316 2.384 4.672 1.00 . A A . 7 ARG NH1 1 1 2 283 1 1 7 ARG NH2 N 10.876 2.701 6.325 1.00 . A A . 7 ARG NH2 1 1 2 284 1 1 7 ARG O O 12.355 -4.636 5.869 1.00 . A A . 7 ARG O 1 1 2 285 1 1 8 VAL C C 10.769 -6.975 6.438 1.00 . A A . 8 VAL C 1 1 2 286 1 1 8 VAL CA C 9.871 -5.744 6.399 1.00 . A A . 8 VAL CA 1 1 2 287 1 1 8 VAL CB C 8.399 -6.197 6.349 1.00 . A A . 8 VAL CB 1 1 2 288 1 1 8 VAL CG1 C 8.017 -6.913 7.635 1.00 . A A . 8 VAL CG1 1 1 2 289 1 1 8 VAL CG2 C 7.484 -5.008 6.099 1.00 . A A . 8 VAL CG2 1 1 2 290 1 1 8 VAL H H 9.504 -4.664 4.616 1.00 . A A . 8 VAL H 1 1 2 291 1 1 8 VAL HA H 10.019 -5.173 7.304 1.00 . A A . 8 VAL HA 1 1 2 292 1 1 8 VAL HB H 8.285 -6.890 5.529 1.00 . A A . 8 VAL HB 1 1 2 293 1 1 8 VAL HG11 H 6.978 -6.721 7.858 1.00 . A A . 8 VAL HG11 1 1 2 294 1 1 8 VAL HG12 H 8.170 -7.976 7.514 1.00 . A A . 8 VAL HG12 1 1 2 295 1 1 8 VAL HG13 H 8.632 -6.550 8.445 1.00 . A A . 8 VAL HG13 1 1 2 296 1 1 8 VAL HG21 H 7.188 -4.994 5.061 1.00 . A A . 8 VAL HG21 1 1 2 297 1 1 8 VAL HG22 H 6.606 -5.092 6.722 1.00 . A A . 8 VAL HG22 1 1 2 298 1 1 8 VAL HG23 H 8.008 -4.094 6.337 1.00 . A A . 8 VAL HG23 1 1 2 299 1 1 8 VAL N N 10.202 -4.887 5.266 1.00 . A A . 8 VAL N 1 1 2 300 1 1 8 VAL O O 11.090 -7.489 7.509 1.00 . A A . 8 VAL O 1 1 2 301 1 1 9 LYS C C 13.507 -8.206 5.165 1.00 . A A . 9 LYS C 1 1 2 302 1 1 9 LYS CA C 12.037 -8.613 5.159 1.00 . A A . 9 LYS CA 1 1 2 303 1 1 9 LYS CB C 11.719 -9.397 3.884 1.00 . A A . 9 LYS CB 1 1 2 304 1 1 9 LYS CD C 9.560 -10.282 2.955 1.00 . A A . 9 LYS CD 1 1 2 305 1 1 9 LYS CE C 9.874 -11.198 1.782 1.00 . A A . 9 LYS CE 1 1 2 306 1 1 9 LYS CG C 10.600 -10.409 4.055 1.00 . A A . 9 LYS CG 1 1 2 307 1 1 9 LYS H H 10.884 -6.989 4.442 1.00 . A A . 9 LYS H 1 1 2 308 1 1 9 LYS HA H 11.846 -9.242 6.015 1.00 . A A . 9 LYS HA 1 1 2 309 1 1 9 LYS HB2 H 11.431 -8.700 3.110 1.00 . A A . 9 LYS HB2 1 1 2 310 1 1 9 LYS HB3 H 12.608 -9.924 3.569 1.00 . A A . 9 LYS HB3 1 1 2 311 1 1 9 LYS HD2 H 8.592 -10.546 3.354 1.00 . A A . 9 LYS HD2 1 1 2 312 1 1 9 LYS HD3 H 9.540 -9.259 2.606 1.00 . A A . 9 LYS HD3 1 1 2 313 1 1 9 LYS HE2 H 10.292 -10.606 0.982 1.00 . A A . 9 LYS HE2 1 1 2 314 1 1 9 LYS HE3 H 10.597 -11.934 2.101 1.00 . A A . 9 LYS HE3 1 1 2 315 1 1 9 LYS HG2 H 11.019 -11.404 4.026 1.00 . A A . 9 LYS HG2 1 1 2 316 1 1 9 LYS HG3 H 10.122 -10.246 5.010 1.00 . A A . 9 LYS HG3 1 1 2 317 1 1 9 LYS HZ1 H 8.489 -11.653 0.286 1.00 . A A . 9 LYS HZ1 1 1 2 318 1 1 9 LYS HZ2 H 7.828 -11.615 1.842 1.00 . A A . 9 LYS HZ2 1 1 2 319 1 1 9 LYS HZ3 H 8.781 -12.927 1.361 1.00 . A A . 9 LYS HZ3 1 1 2 320 1 1 9 LYS N N 11.173 -7.443 5.262 1.00 . A A . 9 LYS N 1 1 2 321 1 1 9 LYS NZ N 8.658 -11.898 1.283 1.00 . A A . 9 LYS NZ 1 1 2 322 1 1 9 LYS O O 13.857 -7.114 5.613 1.00 . A A . 9 LYS O 1 1 3 323 1 1 1 THR C C 3.078 -1.837 -0.955 1.00 . A A . 1 THR C 1 1 3 324 1 1 1 THR CA C 2.370 -0.509 -0.710 1.00 . A A . 1 THR CA 1 1 3 325 1 1 1 THR CB C 1.380 -0.249 -1.861 1.00 . A A . 1 THR CB 1 1 3 326 1 1 1 THR CG2 C 0.190 -1.192 -1.774 1.00 . A A . 1 THR CG2 1 1 3 327 1 1 1 THR H1 H 3.192 1.405 -1.091 1.00 . A A . 1 THR H1 1 1 3 328 1 1 1 THR HA H 1.810 -0.574 0.211 1.00 . A A . 1 THR HA 1 1 3 329 1 1 1 THR HB H 1.888 -0.420 -2.799 1.00 . A A . 1 THR HB 1 1 3 330 1 1 1 THR HG1 H 0.572 1.300 -0.944 1.00 . A A . 1 THR HG1 1 1 3 331 1 1 1 THR HG21 H 0.232 -1.901 -2.588 1.00 . A A . 1 THR HG21 1 1 3 332 1 1 1 THR HG22 H -0.726 -0.624 -1.838 1.00 . A A . 1 THR HG22 1 1 3 333 1 1 1 THR HG23 H 0.219 -1.723 -0.834 1.00 . A A . 1 THR HG23 1 1 3 334 1 1 1 THR N N 3.329 0.581 -0.578 1.00 . A A . 1 THR N 1 1 3 335 1 1 1 THR O O 3.044 -2.734 -0.112 1.00 . A A . 1 THR O 1 1 3 336 1 1 1 THR OG1 O 0.923 1.108 -1.817 1.00 . A A . 1 THR OG1 1 1 3 337 1 1 2 VAL C C 5.907 -3.081 -2.070 1.00 . A A . 2 VAL C 1 1 3 338 1 1 2 VAL CA C 4.438 -3.174 -2.467 1.00 . A A . 2 VAL CA 1 1 3 339 1 1 2 VAL CB C 4.342 -3.463 -3.977 1.00 . A A . 2 VAL CB 1 1 3 340 1 1 2 VAL CG1 C 4.462 -4.956 -4.243 1.00 . A A . 2 VAL CG1 1 1 3 341 1 1 2 VAL CG2 C 3.040 -2.915 -4.542 1.00 . A A . 2 VAL CG2 1 1 3 342 1 1 2 VAL H H 3.711 -1.206 -2.743 1.00 . A A . 2 VAL H 1 1 3 343 1 1 2 VAL HA H 3.982 -3.997 -1.935 1.00 . A A . 2 VAL HA 1 1 3 344 1 1 2 VAL HB H 5.163 -2.965 -4.471 1.00 . A A . 2 VAL HB 1 1 3 345 1 1 2 VAL HG11 H 4.753 -5.461 -3.334 1.00 . A A . 2 VAL HG11 1 1 3 346 1 1 2 VAL HG12 H 3.510 -5.339 -4.581 1.00 . A A . 2 VAL HG12 1 1 3 347 1 1 2 VAL HG13 H 5.210 -5.126 -5.004 1.00 . A A . 2 VAL HG13 1 1 3 348 1 1 2 VAL HG21 H 3.099 -1.838 -4.599 1.00 . A A . 2 VAL HG21 1 1 3 349 1 1 2 VAL HG22 H 2.878 -3.320 -5.531 1.00 . A A . 2 VAL HG22 1 1 3 350 1 1 2 VAL HG23 H 2.221 -3.198 -3.899 1.00 . A A . 2 VAL HG23 1 1 3 351 1 1 2 VAL N N 3.720 -1.956 -2.112 1.00 . A A . 2 VAL N 1 1 3 352 1 1 2 VAL O O 6.378 -3.828 -1.212 1.00 . A A . 2 VAL O 1 1 3 353 1 1 3 TYR C C 8.259 -1.591 -0.953 1.00 . A A . 3 TYR C 1 1 3 354 1 1 3 TYR CA C 8.044 -1.969 -2.415 1.00 . A A . 3 TYR CA 1 1 3 355 1 1 3 TYR CB C 8.628 -0.887 -3.324 1.00 . A A . 3 TYR CB 1 1 3 356 1 1 3 TYR CD1 C 10.853 0.295 -3.157 1.00 . A A . 3 TYR CD1 1 1 3 357 1 1 3 TYR CD2 C 10.854 -2.046 -3.604 1.00 . A A . 3 TYR CD2 1 1 3 358 1 1 3 TYR CE1 C 12.234 0.307 -3.191 1.00 . A A . 3 TYR CE1 1 1 3 359 1 1 3 TYR CE2 C 12.235 -2.043 -3.639 1.00 . A A . 3 TYR CE2 1 1 3 360 1 1 3 TYR CG C 10.140 -0.880 -3.362 1.00 . A A . 3 TYR CG 1 1 3 361 1 1 3 TYR CZ C 12.921 -0.864 -3.432 1.00 . A A . 3 TYR CZ 1 1 3 362 1 1 3 TYR H H 6.195 -1.594 -3.374 1.00 . A A . 3 TYR H 1 1 3 363 1 1 3 TYR HA H 8.550 -2.903 -2.612 1.00 . A A . 3 TYR HA 1 1 3 364 1 1 3 TYR HB2 H 8.273 -1.043 -4.331 1.00 . A A . 3 TYR HB2 1 1 3 365 1 1 3 TYR HB3 H 8.300 0.081 -2.977 1.00 . A A . 3 TYR HB3 1 1 3 366 1 1 3 TYR HD1 H 10.312 1.211 -2.968 1.00 . A A . 3 TYR HD1 1 1 3 367 1 1 3 TYR HD2 H 10.314 -2.968 -3.767 1.00 . A A . 3 TYR HD2 1 1 3 368 1 1 3 TYR HE1 H 12.771 1.230 -3.029 1.00 . A A . 3 TYR HE1 1 1 3 369 1 1 3 TYR HE2 H 12.773 -2.961 -3.828 1.00 . A A . 3 TYR HE2 1 1 3 370 1 1 3 TYR HH H 14.592 -0.791 -4.378 1.00 . A A . 3 TYR HH 1 1 3 371 1 1 3 TYR N N 6.626 -2.159 -2.700 1.00 . A A . 3 TYR N 1 1 3 372 1 1 3 TYR O O 9.273 -1.945 -0.350 1.00 . A A . 3 TYR O 1 1 3 373 1 1 3 TYR OH O 14.296 -0.857 -3.467 1.00 . A A . 3 TYR OH 1 1 3 374 1 1 4 VAL C C 7.230 -1.630 1.952 1.00 . A A . 4 VAL C 1 1 3 375 1 1 4 VAL CA C 7.378 -0.444 1.005 1.00 . A A . 4 VAL CA 1 1 3 376 1 1 4 VAL CB C 6.298 0.602 1.337 1.00 . A A . 4 VAL CB 1 1 3 377 1 1 4 VAL CG1 C 6.308 0.929 2.822 1.00 . A A . 4 VAL CG1 1 1 3 378 1 1 4 VAL CG2 C 6.501 1.859 0.505 1.00 . A A . 4 VAL CG2 1 1 3 379 1 1 4 VAL H H 6.513 -0.618 -0.918 1.00 . A A . 4 VAL H 1 1 3 380 1 1 4 VAL HA H 8.347 0.008 1.160 1.00 . A A . 4 VAL HA 1 1 3 381 1 1 4 VAL HB H 5.333 0.184 1.089 1.00 . A A . 4 VAL HB 1 1 3 382 1 1 4 VAL HG11 H 6.049 0.044 3.386 1.00 . A A . 4 VAL HG11 1 1 3 383 1 1 4 VAL HG12 H 7.293 1.266 3.110 1.00 . A A . 4 VAL HG12 1 1 3 384 1 1 4 VAL HG13 H 5.587 1.707 3.024 1.00 . A A . 4 VAL HG13 1 1 3 385 1 1 4 VAL HG21 H 6.001 1.746 -0.445 1.00 . A A . 4 VAL HG21 1 1 3 386 1 1 4 VAL HG22 H 6.089 2.709 1.029 1.00 . A A . 4 VAL HG22 1 1 3 387 1 1 4 VAL HG23 H 7.557 2.016 0.340 1.00 . A A . 4 VAL HG23 1 1 3 388 1 1 4 VAL N N 7.297 -0.870 -0.387 1.00 . A A . 4 VAL N 1 1 3 389 1 1 4 VAL O O 7.712 -1.597 3.085 1.00 . A A . 4 VAL O 1 1 3 390 1 1 5 TYR C C 7.520 -4.836 2.153 1.00 . A A . 5 TYR C 1 1 3 391 1 1 5 TYR CA C 6.345 -3.872 2.286 1.00 . A A . 5 TYR CA 1 1 3 392 1 1 5 TYR CB C 5.049 -4.568 1.868 1.00 . A A . 5 TYR CB 1 1 3 393 1 1 5 TYR CD1 C 3.646 -2.990 3.252 1.00 . A A . 5 TYR CD1 1 1 3 394 1 1 5 TYR CD2 C 3.017 -5.288 3.184 1.00 . A A . 5 TYR CD2 1 1 3 395 1 1 5 TYR CE1 C 2.581 -2.719 4.090 1.00 . A A . 5 TYR CE1 1 1 3 396 1 1 5 TYR CE2 C 1.950 -5.026 4.020 1.00 . A A . 5 TYR CE2 1 1 3 397 1 1 5 TYR CG C 3.882 -4.277 2.784 1.00 . A A . 5 TYR CG 1 1 3 398 1 1 5 TYR CZ C 1.736 -3.740 4.470 1.00 . A A . 5 TYR CZ 1 1 3 399 1 1 5 TYR H H 6.199 -2.642 0.570 1.00 . A A . 5 TYR H 1 1 3 400 1 1 5 TYR HA H 6.261 -3.566 3.319 1.00 . A A . 5 TYR HA 1 1 3 401 1 1 5 TYR HB2 H 4.779 -4.244 0.875 1.00 . A A . 5 TYR HB2 1 1 3 402 1 1 5 TYR HB3 H 5.208 -5.637 1.863 1.00 . A A . 5 TYR HB3 1 1 3 403 1 1 5 TYR HD1 H 4.309 -2.192 2.952 1.00 . A A . 5 TYR HD1 1 1 3 404 1 1 5 TYR HD2 H 3.188 -6.294 2.829 1.00 . A A . 5 TYR HD2 1 1 3 405 1 1 5 TYR HE1 H 2.413 -1.712 4.442 1.00 . A A . 5 TYR HE1 1 1 3 406 1 1 5 TYR HE2 H 1.288 -5.825 4.319 1.00 . A A . 5 TYR HE2 1 1 3 407 1 1 5 TYR HH H 0.927 -3.659 6.213 1.00 . A A . 5 TYR HH 1 1 3 408 1 1 5 TYR N N 6.560 -2.675 1.481 1.00 . A A . 5 TYR N 1 1 3 409 1 1 5 TYR O O 7.662 -5.772 2.940 1.00 . A A . 5 TYR O 1 1 3 410 1 1 5 TYR OH O 0.674 -3.475 5.305 1.00 . A A . 5 TYR OH 1 1 3 411 1 1 6 SER C C 10.551 -5.289 2.024 1.00 . A A . 6 SER C 1 1 3 412 1 1 6 SER CA C 9.521 -5.448 0.909 1.00 . A A . 6 SER CA 1 1 3 413 1 1 6 SER CB C 10.157 -5.108 -0.440 1.00 . A A . 6 SER CB 1 1 3 414 1 1 6 SER H H 8.193 -3.838 0.556 1.00 . A A . 6 SER H 1 1 3 415 1 1 6 SER HA H 9.184 -6.474 0.891 1.00 . A A . 6 SER HA 1 1 3 416 1 1 6 SER HB2 H 10.359 -4.049 -0.483 1.00 . A A . 6 SER HB2 1 1 3 417 1 1 6 SER HB3 H 11.082 -5.656 -0.547 1.00 . A A . 6 SER HB3 1 1 3 418 1 1 6 SER HG H 9.699 -6.148 -2.036 1.00 . A A . 6 SER HG 1 1 3 419 1 1 6 SER N N 8.360 -4.600 1.150 1.00 . A A . 6 SER N 1 1 3 420 1 1 6 SER O O 11.424 -6.138 2.204 1.00 . A A . 6 SER O 1 1 3 421 1 1 6 SER OG O 9.296 -5.453 -1.511 1.00 . A A . 6 SER OG 1 1 3 422 1 1 7 ARG C C 11.028 -4.779 5.083 1.00 . A A . 7 ARG C 1 1 3 423 1 1 7 ARG CA C 11.363 -3.921 3.866 1.00 . A A . 7 ARG CA 1 1 3 424 1 1 7 ARG CB C 11.314 -2.440 4.244 1.00 . A A . 7 ARG CB 1 1 3 425 1 1 7 ARG CD C 9.791 -0.559 4.921 1.00 . A A . 7 ARG CD 1 1 3 426 1 1 7 ARG CG C 10.069 -2.050 5.024 1.00 . A A . 7 ARG CG 1 1 3 427 1 1 7 ARG CZ C 11.005 1.522 5.409 1.00 . A A . 7 ARG CZ 1 1 3 428 1 1 7 ARG H H 9.724 -3.554 2.577 1.00 . A A . 7 ARG H 1 1 3 429 1 1 7 ARG HA H 12.359 -4.166 3.531 1.00 . A A . 7 ARG HA 1 1 3 430 1 1 7 ARG HB2 H 12.178 -2.206 4.849 1.00 . A A . 7 ARG HB2 1 1 3 431 1 1 7 ARG HB3 H 11.347 -1.849 3.341 1.00 . A A . 7 ARG HB3 1 1 3 432 1 1 7 ARG HD2 H 9.806 -0.274 3.879 1.00 . A A . 7 ARG HD2 1 1 3 433 1 1 7 ARG HD3 H 8.814 -0.359 5.334 1.00 . A A . 7 ARG HD3 1 1 3 434 1 1 7 ARG HE H 11.308 -0.218 6.335 1.00 . A A . 7 ARG HE 1 1 3 435 1 1 7 ARG HG2 H 9.223 -2.591 4.626 1.00 . A A . 7 ARG HG2 1 1 3 436 1 1 7 ARG HG3 H 10.209 -2.311 6.062 1.00 . A A . 7 ARG HG3 1 1 3 437 1 1 7 ARG HH11 H 9.616 1.671 3.951 1.00 . A A . 7 ARG HH11 1 1 3 438 1 1 7 ARG HH12 H 10.479 3.131 4.305 1.00 . A A . 7 ARG HH12 1 1 3 439 1 1 7 ARG HH21 H 12.451 1.698 6.811 1.00 . A A . 7 ARG HH21 1 1 3 440 1 1 7 ARG HH22 H 12.092 3.145 5.931 1.00 . A A . 7 ARG HH22 1 1 3 441 1 1 7 ARG N N 10.441 -4.194 2.770 1.00 . A A . 7 ARG N 1 1 3 442 1 1 7 ARG NE N 10.783 0.234 5.643 1.00 . A A . 7 ARG NE 1 1 3 443 1 1 7 ARG NH1 N 10.310 2.161 4.478 1.00 . A A . 7 ARG NH1 1 1 3 444 1 1 7 ARG NH2 N 11.925 2.175 6.108 1.00 . A A . 7 ARG NH2 1 1 3 445 1 1 7 ARG O O 11.909 -5.134 5.866 1.00 . A A . 7 ARG O 1 1 3 446 1 1 8 VAL C C 10.041 -7.256 6.400 1.00 . A A . 8 VAL C 1 1 3 447 1 1 8 VAL CA C 9.299 -5.925 6.356 1.00 . A A . 8 VAL CA 1 1 3 448 1 1 8 VAL CB C 7.784 -6.196 6.280 1.00 . A A . 8 VAL CB 1 1 3 449 1 1 8 VAL CG1 C 7.297 -6.870 7.553 1.00 . A A . 8 VAL CG1 1 1 3 450 1 1 8 VAL CG2 C 7.024 -4.903 6.027 1.00 . A A . 8 VAL CG2 1 1 3 451 1 1 8 VAL H H 9.094 -4.795 4.578 1.00 . A A . 8 VAL H 1 1 3 452 1 1 8 VAL HA H 9.500 -5.381 7.268 1.00 . A A . 8 VAL HA 1 1 3 453 1 1 8 VAL HB H 7.600 -6.864 5.452 1.00 . A A . 8 VAL HB 1 1 3 454 1 1 8 VAL HG11 H 7.309 -7.942 7.419 1.00 . A A . 8 VAL HG11 1 1 3 455 1 1 8 VAL HG12 H 7.946 -6.602 8.374 1.00 . A A . 8 VAL HG12 1 1 3 456 1 1 8 VAL HG13 H 6.290 -6.546 7.769 1.00 . A A . 8 VAL HG13 1 1 3 457 1 1 8 VAL HG21 H 7.656 -4.061 6.270 1.00 . A A . 8 VAL HG21 1 1 3 458 1 1 8 VAL HG22 H 6.738 -4.849 4.987 1.00 . A A . 8 VAL HG22 1 1 3 459 1 1 8 VAL HG23 H 6.138 -4.879 6.645 1.00 . A A . 8 VAL HG23 1 1 3 460 1 1 8 VAL N N 9.749 -5.108 5.236 1.00 . A A . 8 VAL N 1 1 3 461 1 1 8 VAL O O 10.283 -7.809 7.473 1.00 . A A . 8 VAL O 1 1 3 462 1 1 9 LYS C C 12.355 -9.025 6.019 1.00 . A A . 9 LYS C 1 1 3 463 1 1 9 LYS CA C 11.116 -9.032 5.130 1.00 . A A . 9 LYS CA 1 1 3 464 1 1 9 LYS CB C 11.519 -9.303 3.678 1.00 . A A . 9 LYS CB 1 1 3 465 1 1 9 LYS CD C 10.426 -9.891 1.494 1.00 . A A . 9 LYS CD 1 1 3 466 1 1 9 LYS CE C 11.474 -10.573 0.627 1.00 . A A . 9 LYS CE 1 1 3 467 1 1 9 LYS CG C 10.588 -10.263 2.959 1.00 . A A . 9 LYS CG 1 1 3 468 1 1 9 LYS H H 10.178 -7.277 4.406 1.00 . A A . 9 LYS H 1 1 3 469 1 1 9 LYS HA H 10.453 -9.815 5.463 1.00 . A A . 9 LYS HA 1 1 3 470 1 1 9 LYS HB2 H 11.525 -8.368 3.138 1.00 . A A . 9 LYS HB2 1 1 3 471 1 1 9 LYS HB3 H 12.514 -9.723 3.666 1.00 . A A . 9 LYS HB3 1 1 3 472 1 1 9 LYS HD2 H 9.446 -10.195 1.160 1.00 . A A . 9 LYS HD2 1 1 3 473 1 1 9 LYS HD3 H 10.528 -8.820 1.391 1.00 . A A . 9 LYS HD3 1 1 3 474 1 1 9 LYS HE2 H 11.759 -9.900 -0.167 1.00 . A A . 9 LYS HE2 1 1 3 475 1 1 9 LYS HE3 H 12.337 -10.797 1.237 1.00 . A A . 9 LYS HE3 1 1 3 476 1 1 9 LYS HG2 H 10.995 -11.261 3.022 1.00 . A A . 9 LYS HG2 1 1 3 477 1 1 9 LYS HG3 H 9.619 -10.237 3.436 1.00 . A A . 9 LYS HG3 1 1 3 478 1 1 9 LYS HZ1 H 11.536 -12.643 0.352 1.00 . A A . 9 LYS HZ1 1 1 3 479 1 1 9 LYS HZ2 H 11.007 -11.787 -1.008 1.00 . A A . 9 LYS HZ2 1 1 3 480 1 1 9 LYS HZ3 H 9.974 -11.994 0.316 1.00 . A A . 9 LYS HZ3 1 1 3 481 1 1 9 LYS N N 10.400 -7.765 5.227 1.00 . A A . 9 LYS N 1 1 3 482 1 1 9 LYS NZ N 10.961 -11.838 0.030 1.00 . A A . 9 LYS NZ 1 1 3 483 1 1 9 LYS O O 12.989 -10.061 6.225 1.00 . A A . 9 LYS O 1 1 4 484 1 1 1 THR C C 3.345 -1.174 -1.451 1.00 . A A . 1 THR C 1 1 4 485 1 1 1 THR CA C 2.661 0.185 -1.362 1.00 . A A . 1 THR CA 1 1 4 486 1 1 1 THR CB C 1.937 0.471 -2.691 1.00 . A A . 1 THR CB 1 1 4 487 1 1 1 THR CG2 C 0.794 -0.510 -2.907 1.00 . A A . 1 THR CG2 1 1 4 488 1 1 1 THR H1 H 3.855 1.894 -1.729 1.00 . A A . 1 THR H1 1 1 4 489 1 1 1 THR HA H 1.923 0.156 -0.573 1.00 . A A . 1 THR HA 1 1 4 490 1 1 1 THR HB H 2.644 0.360 -3.500 1.00 . A A . 1 THR HB 1 1 4 491 1 1 1 THR HG1 H 1.775 2.282 -3.456 1.00 . A A . 1 THR HG1 1 1 4 492 1 1 1 THR HG21 H 0.247 -0.634 -1.984 1.00 . A A . 1 THR HG21 1 1 4 493 1 1 1 THR HG22 H 1.193 -1.463 -3.220 1.00 . A A . 1 THR HG22 1 1 4 494 1 1 1 THR HG23 H 0.132 -0.129 -3.669 1.00 . A A . 1 THR HG23 1 1 4 495 1 1 1 THR N N 3.619 1.236 -1.042 1.00 . A A . 1 THR N 1 1 4 496 1 1 1 THR O O 3.129 -2.045 -0.608 1.00 . A A . 1 THR O 1 1 4 497 1 1 1 THR OG1 O 1.429 1.810 -2.694 1.00 . A A . 1 THR OG1 1 1 4 498 1 1 2 VAL C C 6.267 -2.556 -2.025 1.00 . A A . 2 VAL C 1 1 4 499 1 1 2 VAL CA C 4.889 -2.603 -2.675 1.00 . A A . 2 VAL CA 1 1 4 500 1 1 2 VAL CB C 5.050 -2.927 -4.172 1.00 . A A . 2 VAL CB 1 1 4 501 1 1 2 VAL CG1 C 5.152 -4.430 -4.385 1.00 . A A . 2 VAL CG1 1 1 4 502 1 1 2 VAL CG2 C 3.893 -2.344 -4.970 1.00 . A A . 2 VAL CG2 1 1 4 503 1 1 2 VAL H H 4.302 -0.618 -3.116 1.00 . A A . 2 VAL H 1 1 4 504 1 1 2 VAL HA H 4.312 -3.394 -2.217 1.00 . A A . 2 VAL HA 1 1 4 505 1 1 2 VAL HB H 5.966 -2.474 -4.521 1.00 . A A . 2 VAL HB 1 1 4 506 1 1 2 VAL HG11 H 4.234 -4.794 -4.824 1.00 . A A . 2 VAL HG11 1 1 4 507 1 1 2 VAL HG12 H 5.978 -4.645 -5.046 1.00 . A A . 2 VAL HG12 1 1 4 508 1 1 2 VAL HG13 H 5.313 -4.918 -3.435 1.00 . A A . 2 VAL HG13 1 1 4 509 1 1 2 VAL HG21 H 2.962 -2.576 -4.475 1.00 . A A . 2 VAL HG21 1 1 4 510 1 1 2 VAL HG22 H 4.007 -1.272 -5.039 1.00 . A A . 2 VAL HG22 1 1 4 511 1 1 2 VAL HG23 H 3.890 -2.770 -5.963 1.00 . A A . 2 VAL HG23 1 1 4 512 1 1 2 VAL N N 4.171 -1.350 -2.477 1.00 . A A . 2 VAL N 1 1 4 513 1 1 2 VAL O O 6.547 -3.298 -1.083 1.00 . A A . 2 VAL O 1 1 4 514 1 1 3 TYR C C 8.445 -1.159 -0.527 1.00 . A A . 3 TYR C 1 1 4 515 1 1 3 TYR CA C 8.476 -1.536 -2.005 1.00 . A A . 3 TYR CA 1 1 4 516 1 1 3 TYR CB C 9.247 -0.478 -2.796 1.00 . A A . 3 TYR CB 1 1 4 517 1 1 3 TYR CD1 C 10.823 -1.936 -4.126 1.00 . A A . 3 TYR CD1 1 1 4 518 1 1 3 TYR CD2 C 9.319 -0.523 -5.320 1.00 . A A . 3 TYR CD2 1 1 4 519 1 1 3 TYR CE1 C 11.337 -2.405 -5.319 1.00 . A A . 3 TYR CE1 1 1 4 520 1 1 3 TYR CE2 C 9.826 -0.988 -6.518 1.00 . A A . 3 TYR CE2 1 1 4 521 1 1 3 TYR CG C 9.806 -0.988 -4.105 1.00 . A A . 3 TYR CG 1 1 4 522 1 1 3 TYR CZ C 10.835 -1.928 -6.512 1.00 . A A . 3 TYR CZ 1 1 4 523 1 1 3 TYR H H 6.844 -1.115 -3.285 1.00 . A A . 3 TYR H 1 1 4 524 1 1 3 TYR HA H 8.977 -2.487 -2.112 1.00 . A A . 3 TYR HA 1 1 4 525 1 1 3 TYR HB2 H 8.588 0.348 -3.018 1.00 . A A . 3 TYR HB2 1 1 4 526 1 1 3 TYR HB3 H 10.073 -0.122 -2.198 1.00 . A A . 3 TYR HB3 1 1 4 527 1 1 3 TYR HD1 H 11.214 -2.307 -3.190 1.00 . A A . 3 TYR HD1 1 1 4 528 1 1 3 TYR HD2 H 8.529 0.213 -5.321 1.00 . A A . 3 TYR HD2 1 1 4 529 1 1 3 TYR HE1 H 12.127 -3.141 -5.316 1.00 . A A . 3 TYR HE1 1 1 4 530 1 1 3 TYR HE2 H 9.434 -0.615 -7.452 1.00 . A A . 3 TYR HE2 1 1 4 531 1 1 3 TYR HH H 10.650 -2.834 -8.198 1.00 . A A . 3 TYR HH 1 1 4 532 1 1 3 TYR N N 7.125 -1.679 -2.534 1.00 . A A . 3 TYR N 1 1 4 533 1 1 3 TYR O O 9.346 -1.510 0.235 1.00 . A A . 3 TYR O 1 1 4 534 1 1 3 TYR OH O 11.345 -2.392 -7.704 1.00 . A A . 3 TYR OH 1 1 4 535 1 1 4 VAL C C 6.954 -1.206 2.168 1.00 . A A . 4 VAL C 1 1 4 536 1 1 4 VAL CA C 7.248 -0.018 1.259 1.00 . A A . 4 VAL CA 1 1 4 537 1 1 4 VAL CB C 6.121 1.021 1.409 1.00 . A A . 4 VAL CB 1 1 4 538 1 1 4 VAL CG1 C 5.887 1.348 2.876 1.00 . A A . 4 VAL CG1 1 1 4 539 1 1 4 VAL CG2 C 6.448 2.279 0.619 1.00 . A A . 4 VAL CG2 1 1 4 540 1 1 4 VAL H H 6.714 -0.192 -0.781 1.00 . A A . 4 VAL H 1 1 4 541 1 1 4 VAL HA H 8.175 0.441 1.571 1.00 . A A . 4 VAL HA 1 1 4 542 1 1 4 VAL HB H 5.212 0.596 1.008 1.00 . A A . 4 VAL HB 1 1 4 543 1 1 4 VAL HG11 H 5.136 2.120 2.957 1.00 . A A . 4 VAL HG11 1 1 4 544 1 1 4 VAL HG12 H 5.550 0.461 3.393 1.00 . A A . 4 VAL HG12 1 1 4 545 1 1 4 VAL HG13 H 6.809 1.695 3.318 1.00 . A A . 4 VAL HG13 1 1 4 546 1 1 4 VAL HG21 H 7.519 2.377 0.526 1.00 . A A . 4 VAL HG21 1 1 4 547 1 1 4 VAL HG22 H 6.006 2.212 -0.365 1.00 . A A . 4 VAL HG22 1 1 4 548 1 1 4 VAL HG23 H 6.050 3.141 1.133 1.00 . A A . 4 VAL HG23 1 1 4 549 1 1 4 VAL N N 7.400 -0.442 -0.128 1.00 . A A . 4 VAL N 1 1 4 550 1 1 4 VAL O O 7.342 -1.218 3.336 1.00 . A A . 4 VAL O 1 1 4 551 1 1 5 TYR C C 7.034 -4.435 2.313 1.00 . A A . 5 TYR C 1 1 4 552 1 1 5 TYR CA C 5.918 -3.397 2.386 1.00 . A A . 5 TYR CA 1 1 4 553 1 1 5 TYR CB C 4.612 -3.998 1.863 1.00 . A A . 5 TYR CB 1 1 4 554 1 1 5 TYR CD1 C 3.715 -6.358 1.914 1.00 . A A . 5 TYR CD1 1 1 4 555 1 1 5 TYR CD2 C 4.238 -5.308 3.989 1.00 . A A . 5 TYR CD2 1 1 4 556 1 1 5 TYR CE1 C 3.319 -7.498 2.586 1.00 . A A . 5 TYR CE1 1 1 4 557 1 1 5 TYR CE2 C 3.845 -6.445 4.669 1.00 . A A . 5 TYR CE2 1 1 4 558 1 1 5 TYR CG C 4.181 -5.244 2.603 1.00 . A A . 5 TYR CG 1 1 4 559 1 1 5 TYR CZ C 3.387 -7.537 3.963 1.00 . A A . 5 TYR CZ 1 1 4 560 1 1 5 TYR H H 5.985 -2.136 0.687 1.00 . A A . 5 TYR H 1 1 4 561 1 1 5 TYR HA H 5.781 -3.104 3.416 1.00 . A A . 5 TYR HA 1 1 4 562 1 1 5 TYR HB2 H 3.824 -3.267 1.958 1.00 . A A . 5 TYR HB2 1 1 4 563 1 1 5 TYR HB3 H 4.734 -4.256 0.821 1.00 . A A . 5 TYR HB3 1 1 4 564 1 1 5 TYR HD1 H 3.663 -6.324 0.836 1.00 . A A . 5 TYR HD1 1 1 4 565 1 1 5 TYR HD2 H 4.597 -4.450 4.539 1.00 . A A . 5 TYR HD2 1 1 4 566 1 1 5 TYR HE1 H 2.960 -8.354 2.033 1.00 . A A . 5 TYR HE1 1 1 4 567 1 1 5 TYR HE2 H 3.898 -6.475 5.747 1.00 . A A . 5 TYR HE2 1 1 4 568 1 1 5 TYR HH H 2.356 -9.154 4.105 1.00 . A A . 5 TYR HH 1 1 4 569 1 1 5 TYR N N 6.267 -2.204 1.624 1.00 . A A . 5 TYR N 1 1 4 570 1 1 5 TYR O O 7.059 -5.391 3.088 1.00 . A A . 5 TYR O 1 1 4 571 1 1 5 TYR OH O 2.993 -8.671 4.636 1.00 . A A . 5 TYR OH 1 1 4 572 1 1 6 SER C C 10.249 -4.762 2.089 1.00 . A A . 6 SER C 1 1 4 573 1 1 6 SER CA C 9.074 -5.157 1.200 1.00 . A A . 6 SER CA 1 1 4 574 1 1 6 SER CB C 9.514 -5.182 -0.265 1.00 . A A . 6 SER CB 1 1 4 575 1 1 6 SER H H 7.882 -3.456 0.790 1.00 . A A . 6 SER H 1 1 4 576 1 1 6 SER HA H 8.739 -6.144 1.483 1.00 . A A . 6 SER HA 1 1 4 577 1 1 6 SER HB2 H 9.932 -4.222 -0.529 1.00 . A A . 6 SER HB2 1 1 4 578 1 1 6 SER HB3 H 10.262 -5.950 -0.401 1.00 . A A . 6 SER HB3 1 1 4 579 1 1 6 SER HG H 8.014 -6.287 -0.869 1.00 . A A . 6 SER HG 1 1 4 580 1 1 6 SER N N 7.956 -4.238 1.377 1.00 . A A . 6 SER N 1 1 4 581 1 1 6 SER O O 11.140 -5.570 2.355 1.00 . A A . 6 SER O 1 1 4 582 1 1 6 SER OG O 8.419 -5.455 -1.123 1.00 . A A . 6 SER OG 1 1 4 583 1 1 7 ARG C C 11.524 -3.933 4.601 1.00 . A A . 7 ARG C 1 1 4 584 1 1 7 ARG CA C 11.308 -3.011 3.405 1.00 . A A . 7 ARG CA 1 1 4 585 1 1 7 ARG CB C 10.977 -1.598 3.889 1.00 . A A . 7 ARG CB 1 1 4 586 1 1 7 ARG CD C 9.398 -0.147 5.200 1.00 . A A . 7 ARG CD 1 1 4 587 1 1 7 ARG CG C 9.911 -1.560 4.972 1.00 . A A . 7 ARG CG 1 1 4 588 1 1 7 ARG CZ C 9.990 0.198 7.561 1.00 . A A . 7 ARG CZ 1 1 4 589 1 1 7 ARG H H 9.506 -2.918 2.300 1.00 . A A . 7 ARG H 1 1 4 590 1 1 7 ARG HA H 12.217 -2.978 2.822 1.00 . A A . 7 ARG HA 1 1 4 591 1 1 7 ARG HB2 H 11.875 -1.145 4.283 1.00 . A A . 7 ARG HB2 1 1 4 592 1 1 7 ARG HB3 H 10.628 -1.016 3.050 1.00 . A A . 7 ARG HB3 1 1 4 593 1 1 7 ARG HD2 H 9.525 0.419 4.289 1.00 . A A . 7 ARG HD2 1 1 4 594 1 1 7 ARG HD3 H 8.349 -0.195 5.451 1.00 . A A . 7 ARG HD3 1 1 4 595 1 1 7 ARG HE H 10.716 1.261 6.037 1.00 . A A . 7 ARG HE 1 1 4 596 1 1 7 ARG HG2 H 9.084 -2.187 4.672 1.00 . A A . 7 ARG HG2 1 1 4 597 1 1 7 ARG HG3 H 10.333 -1.934 5.893 1.00 . A A . 7 ARG HG3 1 1 4 598 1 1 7 ARG HH11 H 8.667 -1.290 7.225 1.00 . A A . 7 ARG HH11 1 1 4 599 1 1 7 ARG HH12 H 9.092 -1.037 8.885 1.00 . A A . 7 ARG HH12 1 1 4 600 1 1 7 ARG HH21 H 11.285 1.605 8.220 1.00 . A A . 7 ARG HH21 1 1 4 601 1 1 7 ARG HH22 H 10.581 0.611 9.450 1.00 . A A . 7 ARG HH22 1 1 4 602 1 1 7 ARG N N 10.243 -3.514 2.546 1.00 . A A . 7 ARG N 1 1 4 603 1 1 7 ARG NE N 10.114 0.527 6.280 1.00 . A A . 7 ARG NE 1 1 4 604 1 1 7 ARG NH1 N 9.183 -0.790 7.920 1.00 . A A . 7 ARG NH1 1 1 4 605 1 1 7 ARG NH2 N 10.675 0.859 8.486 1.00 . A A . 7 ARG NH2 1 1 4 606 1 1 7 ARG O O 12.635 -4.043 5.122 1.00 . A A . 7 ARG O 1 1 4 607 1 1 8 VAL C C 11.573 -6.590 5.935 1.00 . A A . 8 VAL C 1 1 4 608 1 1 8 VAL CA C 10.527 -5.506 6.168 1.00 . A A . 8 VAL CA 1 1 4 609 1 1 8 VAL CB C 9.165 -6.173 6.440 1.00 . A A . 8 VAL CB 1 1 4 610 1 1 8 VAL CG1 C 9.205 -6.959 7.741 1.00 . A A . 8 VAL CG1 1 1 4 611 1 1 8 VAL CG2 C 8.059 -5.129 6.472 1.00 . A A . 8 VAL CG2 1 1 4 612 1 1 8 VAL H H 9.597 -4.464 4.578 1.00 . A A . 8 VAL H 1 1 4 613 1 1 8 VAL HA H 10.804 -4.933 7.041 1.00 . A A . 8 VAL HA 1 1 4 614 1 1 8 VAL HB H 8.957 -6.862 5.635 1.00 . A A . 8 VAL HB 1 1 4 615 1 1 8 VAL HG11 H 8.246 -6.889 8.233 1.00 . A A . 8 VAL HG11 1 1 4 616 1 1 8 VAL HG12 H 9.428 -7.994 7.530 1.00 . A A . 8 VAL HG12 1 1 4 617 1 1 8 VAL HG13 H 9.970 -6.550 8.385 1.00 . A A . 8 VAL HG13 1 1 4 618 1 1 8 VAL HG21 H 7.192 -5.540 6.967 1.00 . A A . 8 VAL HG21 1 1 4 619 1 1 8 VAL HG22 H 8.401 -4.257 7.010 1.00 . A A . 8 VAL HG22 1 1 4 620 1 1 8 VAL HG23 H 7.798 -4.849 5.462 1.00 . A A . 8 VAL HG23 1 1 4 621 1 1 8 VAL N N 10.455 -4.593 5.033 1.00 . A A . 8 VAL N 1 1 4 622 1 1 8 VAL O O 12.212 -7.064 6.875 1.00 . A A . 8 VAL O 1 1 4 623 1 1 9 LYS C C 13.594 -7.545 3.160 1.00 . A A . 9 LYS C 1 1 4 624 1 1 9 LYS CA C 12.715 -8.007 4.318 1.00 . A A . 9 LYS CA 1 1 4 625 1 1 9 LYS CB C 11.998 -9.305 3.941 1.00 . A A . 9 LYS CB 1 1 4 626 1 1 9 LYS CD C 9.609 -9.483 3.185 1.00 . A A . 9 LYS CD 1 1 4 627 1 1 9 LYS CE C 9.243 -10.914 2.822 1.00 . A A . 9 LYS CE 1 1 4 628 1 1 9 LYS CG C 11.034 -9.152 2.777 1.00 . A A . 9 LYS CG 1 1 4 629 1 1 9 LYS H H 11.205 -6.564 3.971 1.00 . A A . 9 LYS H 1 1 4 630 1 1 9 LYS HA H 13.340 -8.188 5.179 1.00 . A A . 9 LYS HA 1 1 4 631 1 1 9 LYS HB2 H 12.737 -10.046 3.674 1.00 . A A . 9 LYS HB2 1 1 4 632 1 1 9 LYS HB3 H 11.441 -9.657 4.798 1.00 . A A . 9 LYS HB3 1 1 4 633 1 1 9 LYS HD2 H 9.512 -9.359 4.254 1.00 . A A . 9 LYS HD2 1 1 4 634 1 1 9 LYS HD3 H 8.933 -8.808 2.680 1.00 . A A . 9 LYS HD3 1 1 4 635 1 1 9 LYS HE2 H 9.941 -11.273 2.082 1.00 . A A . 9 LYS HE2 1 1 4 636 1 1 9 LYS HE3 H 9.312 -11.526 3.709 1.00 . A A . 9 LYS HE3 1 1 4 637 1 1 9 LYS HG2 H 11.069 -8.132 2.424 1.00 . A A . 9 LYS HG2 1 1 4 638 1 1 9 LYS HG3 H 11.336 -9.820 1.982 1.00 . A A . 9 LYS HG3 1 1 4 639 1 1 9 LYS HZ1 H 7.167 -10.772 3.010 1.00 . A A . 9 LYS HZ1 1 1 4 640 1 1 9 LYS HZ2 H 7.677 -11.978 1.939 1.00 . A A . 9 LYS HZ2 1 1 4 641 1 1 9 LYS HZ3 H 7.746 -10.352 1.477 1.00 . A A . 9 LYS HZ3 1 1 4 642 1 1 9 LYS N N 11.744 -6.979 4.677 1.00 . A A . 9 LYS N 1 1 4 643 1 1 9 LYS NZ N 7.862 -11.010 2.273 1.00 . A A . 9 LYS NZ 1 1 4 644 1 1 9 LYS O O 14.770 -7.232 3.348 1.00 . A A . 9 LYS O 1 1 5 645 1 1 1 THR C C 2.778 -1.319 -1.232 1.00 . A A . 1 THR C 1 1 5 646 1 1 1 THR CA C 2.213 0.084 -1.045 1.00 . A A . 1 THR CA 1 1 5 647 1 1 1 THR CB C 3.358 1.107 -1.171 1.00 . A A . 1 THR CB 1 1 5 648 1 1 1 THR CG2 C 3.393 1.711 -2.566 1.00 . A A . 1 THR CG2 1 1 5 649 1 1 1 THR H1 H 2.006 0.596 0.999 1.00 . A A . 1 THR H1 1 1 5 650 1 1 1 THR HA H 1.495 0.281 -1.828 1.00 . A A . 1 THR HA 1 1 5 651 1 1 1 THR HB H 4.295 0.599 -0.991 1.00 . A A . 1 THR HB 1 1 5 652 1 1 1 THR HG1 H 3.530 1.845 0.650 1.00 . A A . 1 THR HG1 1 1 5 653 1 1 1 THR HG21 H 3.813 2.705 -2.518 1.00 . A A . 1 THR HG21 1 1 5 654 1 1 1 THR HG22 H 2.389 1.764 -2.961 1.00 . A A . 1 THR HG22 1 1 5 655 1 1 1 THR HG23 H 4.001 1.094 -3.210 1.00 . A A . 1 THR HG23 1 1 5 656 1 1 1 THR N N 1.528 0.208 0.236 1.00 . A A . 1 THR N 1 1 5 657 1 1 1 THR O O 2.641 -2.176 -0.359 1.00 . A A . 1 THR O 1 1 5 658 1 1 1 THR OG1 O 3.196 2.146 -0.199 1.00 . A A . 1 THR OG1 1 1 5 659 1 1 2 VAL C C 5.472 -2.892 -2.282 1.00 . A A . 2 VAL C 1 1 5 660 1 1 2 VAL CA C 4.001 -2.848 -2.678 1.00 . A A . 2 VAL CA 1 1 5 661 1 1 2 VAL CB C 3.873 -3.188 -4.175 1.00 . A A . 2 VAL CB 1 1 5 662 1 1 2 VAL CG1 C 3.836 -4.695 -4.379 1.00 . A A . 2 VAL CG1 1 1 5 663 1 1 2 VAL CG2 C 2.636 -2.531 -4.767 1.00 . A A . 2 VAL CG2 1 1 5 664 1 1 2 VAL H H 3.490 -0.826 -3.034 1.00 . A A . 2 VAL H 1 1 5 665 1 1 2 VAL HA H 3.464 -3.597 -2.114 1.00 . A A . 2 VAL HA 1 1 5 666 1 1 2 VAL HB H 4.741 -2.800 -4.687 1.00 . A A . 2 VAL HB 1 1 5 667 1 1 2 VAL HG11 H 3.421 -5.167 -3.501 1.00 . A A . 2 VAL HG11 1 1 5 668 1 1 2 VAL HG12 H 3.223 -4.928 -5.238 1.00 . A A . 2 VAL HG12 1 1 5 669 1 1 2 VAL HG13 H 4.839 -5.061 -4.543 1.00 . A A . 2 VAL HG13 1 1 5 670 1 1 2 VAL HG21 H 2.430 -2.960 -5.737 1.00 . A A . 2 VAL HG21 1 1 5 671 1 1 2 VAL HG22 H 1.791 -2.698 -4.114 1.00 . A A . 2 VAL HG22 1 1 5 672 1 1 2 VAL HG23 H 2.806 -1.470 -4.870 1.00 . A A . 2 VAL HG23 1 1 5 673 1 1 2 VAL N N 3.414 -1.548 -2.377 1.00 . A A . 2 VAL N 1 1 5 674 1 1 2 VAL O O 5.865 -3.648 -1.393 1.00 . A A . 2 VAL O 1 1 5 675 1 1 3 TYR C C 7.968 -1.631 -1.214 1.00 . A A . 3 TYR C 1 1 5 676 1 1 3 TYR CA C 7.712 -2.022 -2.666 1.00 . A A . 3 TYR CA 1 1 5 677 1 1 3 TYR CB C 8.400 -1.027 -3.602 1.00 . A A . 3 TYR CB 1 1 5 678 1 1 3 TYR CD1 C 10.856 -1.110 -4.184 1.00 . A A . 3 TYR CD1 1 1 5 679 1 1 3 TYR CD2 C 9.398 -2.674 -5.236 1.00 . A A . 3 TYR CD2 1 1 5 680 1 1 3 TYR CE1 C 11.931 -1.643 -4.869 1.00 . A A . 3 TYR CE1 1 1 5 681 1 1 3 TYR CE2 C 10.467 -3.214 -5.925 1.00 . A A . 3 TYR CE2 1 1 5 682 1 1 3 TYR CG C 9.573 -1.615 -4.354 1.00 . A A . 3 TYR CG 1 1 5 683 1 1 3 TYR CZ C 11.731 -2.695 -5.738 1.00 . A A . 3 TYR CZ 1 1 5 684 1 1 3 TYR H H 5.911 -1.497 -3.646 1.00 . A A . 3 TYR H 1 1 5 685 1 1 3 TYR HA H 8.122 -3.007 -2.840 1.00 . A A . 3 TYR HA 1 1 5 686 1 1 3 TYR HB2 H 7.685 -0.673 -4.329 1.00 . A A . 3 TYR HB2 1 1 5 687 1 1 3 TYR HB3 H 8.763 -0.190 -3.023 1.00 . A A . 3 TYR HB3 1 1 5 688 1 1 3 TYR HD1 H 11.010 -0.285 -3.502 1.00 . A A . 3 TYR HD1 1 1 5 689 1 1 3 TYR HD2 H 8.407 -3.078 -5.380 1.00 . A A . 3 TYR HD2 1 1 5 690 1 1 3 TYR HE1 H 12.921 -1.237 -4.723 1.00 . A A . 3 TYR HE1 1 1 5 691 1 1 3 TYR HE2 H 10.311 -4.038 -6.605 1.00 . A A . 3 TYR HE2 1 1 5 692 1 1 3 TYR HH H 12.549 -4.081 -6.790 1.00 . A A . 3 TYR HH 1 1 5 693 1 1 3 TYR N N 6.283 -2.076 -2.948 1.00 . A A . 3 TYR N 1 1 5 694 1 1 3 TYR O O 8.997 -1.980 -0.636 1.00 . A A . 3 TYR O 1 1 5 695 1 1 3 TYR OH O 12.799 -3.230 -6.423 1.00 . A A . 3 TYR OH 1 1 5 696 1 1 4 VAL C C 7.019 -1.644 1.718 1.00 . A A . 4 VAL C 1 1 5 697 1 1 4 VAL CA C 7.141 -0.467 0.757 1.00 . A A . 4 VAL CA 1 1 5 698 1 1 4 VAL CB C 6.068 0.582 1.109 1.00 . A A . 4 VAL CB 1 1 5 699 1 1 4 VAL CG1 C 6.120 0.922 2.591 1.00 . A A . 4 VAL CG1 1 1 5 700 1 1 4 VAL CG2 C 6.247 1.831 0.260 1.00 . A A . 4 VAL CG2 1 1 5 701 1 1 4 VAL H H 6.223 -0.658 -1.140 1.00 . A A . 4 VAL H 1 1 5 702 1 1 4 VAL HA H 8.113 -0.012 0.881 1.00 . A A . 4 VAL HA 1 1 5 703 1 1 4 VAL HB H 5.098 0.161 0.893 1.00 . A A . 4 VAL HB 1 1 5 704 1 1 4 VAL HG11 H 5.880 0.042 3.170 1.00 . A A . 4 VAL HG11 1 1 5 705 1 1 4 VAL HG12 H 7.112 1.265 2.847 1.00 . A A . 4 VAL HG12 1 1 5 706 1 1 4 VAL HG13 H 5.402 1.700 2.806 1.00 . A A . 4 VAL HG13 1 1 5 707 1 1 4 VAL HG21 H 7.264 2.183 0.349 1.00 . A A . 4 VAL HG21 1 1 5 708 1 1 4 VAL HG22 H 6.036 1.598 -0.774 1.00 . A A . 4 VAL HG22 1 1 5 709 1 1 4 VAL HG23 H 5.569 2.599 0.601 1.00 . A A . 4 VAL HG23 1 1 5 710 1 1 4 VAL N N 7.021 -0.905 -0.628 1.00 . A A . 4 VAL N 1 1 5 711 1 1 4 VAL O O 7.562 -1.616 2.823 1.00 . A A . 4 VAL O 1 1 5 712 1 1 5 TYR C C 7.355 -4.747 2.102 1.00 . A A . 5 TYR C 1 1 5 713 1 1 5 TYR CA C 6.109 -3.866 2.113 1.00 . A A . 5 TYR CA 1 1 5 714 1 1 5 TYR CB C 4.902 -4.664 1.617 1.00 . A A . 5 TYR CB 1 1 5 715 1 1 5 TYR CD1 C 3.270 -3.065 2.693 1.00 . A A . 5 TYR CD1 1 1 5 716 1 1 5 TYR CD2 C 2.784 -5.397 2.779 1.00 . A A . 5 TYR CD2 1 1 5 717 1 1 5 TYR CE1 C 2.107 -2.792 3.388 1.00 . A A . 5 TYR CE1 1 1 5 718 1 1 5 TYR CE2 C 1.619 -5.133 3.473 1.00 . A A . 5 TYR CE2 1 1 5 719 1 1 5 TYR CG C 3.628 -4.370 2.377 1.00 . A A . 5 TYR CG 1 1 5 720 1 1 5 TYR CZ C 1.285 -3.830 3.775 1.00 . A A . 5 TYR CZ 1 1 5 721 1 1 5 TYR H H 5.896 -2.642 0.400 1.00 . A A . 5 TYR H 1 1 5 722 1 1 5 TYR HA H 5.921 -3.540 3.126 1.00 . A A . 5 TYR HA 1 1 5 723 1 1 5 TYR HB2 H 4.728 -4.432 0.577 1.00 . A A . 5 TYR HB2 1 1 5 724 1 1 5 TYR HB3 H 5.112 -5.719 1.715 1.00 . A A . 5 TYR HB3 1 1 5 725 1 1 5 TYR HD1 H 3.916 -2.255 2.388 1.00 . A A . 5 TYR HD1 1 1 5 726 1 1 5 TYR HD2 H 3.048 -6.418 2.542 1.00 . A A . 5 TYR HD2 1 1 5 727 1 1 5 TYR HE1 H 1.845 -1.772 3.624 1.00 . A A . 5 TYR HE1 1 1 5 728 1 1 5 TYR HE2 H 0.975 -5.946 3.777 1.00 . A A . 5 TYR HE2 1 1 5 729 1 1 5 TYR HH H 0.086 -4.117 5.250 1.00 . A A . 5 TYR HH 1 1 5 730 1 1 5 TYR N N 6.304 -2.678 1.290 1.00 . A A . 5 TYR N 1 1 5 731 1 1 5 TYR O O 7.498 -5.649 2.927 1.00 . A A . 5 TYR O 1 1 5 732 1 1 5 TYR OH O 0.126 -3.563 4.467 1.00 . A A . 5 TYR OH 1 1 5 733 1 1 6 SER C C 10.534 -4.756 2.034 1.00 . A A . 6 SER C 1 1 5 734 1 1 6 SER CA C 9.487 -5.246 1.039 1.00 . A A . 6 SER CA 1 1 5 735 1 1 6 SER CB C 10.035 -5.147 -0.386 1.00 . A A . 6 SER CB 1 1 5 736 1 1 6 SER H H 8.082 -3.745 0.532 1.00 . A A . 6 SER H 1 1 5 737 1 1 6 SER HA H 9.256 -6.278 1.256 1.00 . A A . 6 SER HA 1 1 5 738 1 1 6 SER HB2 H 9.220 -5.224 -1.089 1.00 . A A . 6 SER HB2 1 1 5 739 1 1 6 SER HB3 H 10.532 -4.196 -0.512 1.00 . A A . 6 SER HB3 1 1 5 740 1 1 6 SER HG H 11.446 -6.394 0.155 1.00 . A A . 6 SER HG 1 1 5 741 1 1 6 SER N N 8.254 -4.477 1.161 1.00 . A A . 6 SER N 1 1 5 742 1 1 6 SER O O 11.495 -5.462 2.338 1.00 . A A . 6 SER O 1 1 5 743 1 1 6 SER OG O 10.963 -6.185 -0.648 1.00 . A A . 6 SER OG 1 1 5 744 1 1 7 ARG C C 11.484 -3.890 4.684 1.00 . A A . 7 ARG C 1 1 5 745 1 1 7 ARG CA C 11.266 -2.955 3.498 1.00 . A A . 7 ARG CA 1 1 5 746 1 1 7 ARG CB C 10.740 -1.605 3.988 1.00 . A A . 7 ARG CB 1 1 5 747 1 1 7 ARG CD C 8.940 -0.372 5.235 1.00 . A A . 7 ARG CD 1 1 5 748 1 1 7 ARG CG C 9.590 -1.722 4.975 1.00 . A A . 7 ARG CG 1 1 5 749 1 1 7 ARG CZ C 8.705 -0.301 7.681 1.00 . A A . 7 ARG CZ 1 1 5 750 1 1 7 ARG H H 9.554 -3.027 2.257 1.00 . A A . 7 ARG H 1 1 5 751 1 1 7 ARG HA H 12.211 -2.803 2.997 1.00 . A A . 7 ARG HA 1 1 5 752 1 1 7 ARG HB2 H 11.546 -1.071 4.470 1.00 . A A . 7 ARG HB2 1 1 5 753 1 1 7 ARG HB3 H 10.399 -1.035 3.137 1.00 . A A . 7 ARG HB3 1 1 5 754 1 1 7 ARG HD2 H 9.287 0.329 4.491 1.00 . A A . 7 ARG HD2 1 1 5 755 1 1 7 ARG HD3 H 7.869 -0.482 5.153 1.00 . A A . 7 ARG HD3 1 1 5 756 1 1 7 ARG HE H 9.930 0.862 6.619 1.00 . A A . 7 ARG HE 1 1 5 757 1 1 7 ARG HG2 H 8.848 -2.395 4.572 1.00 . A A . 7 ARG HG2 1 1 5 758 1 1 7 ARG HG3 H 9.967 -2.115 5.908 1.00 . A A . 7 ARG HG3 1 1 5 759 1 1 7 ARG HH11 H 7.538 -1.664 6.755 1.00 . A A . 7 ARG HH11 1 1 5 760 1 1 7 ARG HH12 H 7.382 -1.604 8.479 1.00 . A A . 7 ARG HH12 1 1 5 761 1 1 7 ARG HH21 H 9.734 0.951 8.890 1.00 . A A . 7 ARG HH21 1 1 5 762 1 1 7 ARG HH22 H 8.631 -0.115 9.693 1.00 . A A . 7 ARG HH22 1 1 5 763 1 1 7 ARG N N 10.339 -3.542 2.538 1.00 . A A . 7 ARG N 1 1 5 764 1 1 7 ARG NE N 9.263 0.146 6.561 1.00 . A A . 7 ARG NE 1 1 5 765 1 1 7 ARG NH1 N 7.800 -1.269 7.634 1.00 . A A . 7 ARG NH1 1 1 5 766 1 1 7 ARG NH2 N 9.052 0.221 8.851 1.00 . A A . 7 ARG NH2 1 1 5 767 1 1 7 ARG O O 12.553 -3.897 5.295 1.00 . A A . 7 ARG O 1 1 5 768 1 1 8 VAL C C 11.716 -6.573 5.948 1.00 . A A . 8 VAL C 1 1 5 769 1 1 8 VAL CA C 10.541 -5.616 6.118 1.00 . A A . 8 VAL CA 1 1 5 770 1 1 8 VAL CB C 9.243 -6.434 6.256 1.00 . A A . 8 VAL CB 1 1 5 771 1 1 8 VAL CG1 C 9.262 -7.255 7.536 1.00 . A A . 8 VAL CG1 1 1 5 772 1 1 8 VAL CG2 C 8.030 -5.517 6.220 1.00 . A A . 8 VAL CG2 1 1 5 773 1 1 8 VAL H H 9.636 -4.626 4.481 1.00 . A A . 8 VAL H 1 1 5 774 1 1 8 VAL HA H 10.682 -5.047 7.026 1.00 . A A . 8 VAL HA 1 1 5 775 1 1 8 VAL HB H 9.179 -7.114 5.419 1.00 . A A . 8 VAL HB 1 1 5 776 1 1 8 VAL HG11 H 9.856 -6.746 8.281 1.00 . A A . 8 VAL HG11 1 1 5 777 1 1 8 VAL HG12 H 8.253 -7.378 7.901 1.00 . A A . 8 VAL HG12 1 1 5 778 1 1 8 VAL HG13 H 9.694 -8.225 7.335 1.00 . A A . 8 VAL HG13 1 1 5 779 1 1 8 VAL HG21 H 7.862 -5.183 5.206 1.00 . A A . 8 VAL HG21 1 1 5 780 1 1 8 VAL HG22 H 7.161 -6.055 6.570 1.00 . A A . 8 VAL HG22 1 1 5 781 1 1 8 VAL HG23 H 8.205 -4.662 6.856 1.00 . A A . 8 VAL HG23 1 1 5 782 1 1 8 VAL N N 10.462 -4.677 5.006 1.00 . A A . 8 VAL N 1 1 5 783 1 1 8 VAL O O 12.318 -7.015 6.926 1.00 . A A . 8 VAL O 1 1 5 784 1 1 9 LYS C C 14.482 -7.134 4.705 1.00 . A A . 9 LYS C 1 1 5 785 1 1 9 LYS CA C 13.141 -7.793 4.396 1.00 . A A . 9 LYS CA 1 1 5 786 1 1 9 LYS CB C 13.095 -8.215 2.926 1.00 . A A . 9 LYS CB 1 1 5 787 1 1 9 LYS CD C 11.479 -10.085 3.378 1.00 . A A . 9 LYS CD 1 1 5 788 1 1 9 LYS CE C 10.597 -11.079 2.639 1.00 . A A . 9 LYS CE 1 1 5 789 1 1 9 LYS CG C 11.784 -8.867 2.522 1.00 . A A . 9 LYS CG 1 1 5 790 1 1 9 LYS H H 11.519 -6.504 3.959 1.00 . A A . 9 LYS H 1 1 5 791 1 1 9 LYS HA H 13.033 -8.668 5.018 1.00 . A A . 9 LYS HA 1 1 5 792 1 1 9 LYS HB2 H 13.245 -7.343 2.308 1.00 . A A . 9 LYS HB2 1 1 5 793 1 1 9 LYS HB3 H 13.894 -8.919 2.741 1.00 . A A . 9 LYS HB3 1 1 5 794 1 1 9 LYS HD2 H 12.407 -10.571 3.640 1.00 . A A . 9 LYS HD2 1 1 5 795 1 1 9 LYS HD3 H 10.972 -9.765 4.277 1.00 . A A . 9 LYS HD3 1 1 5 796 1 1 9 LYS HE2 H 9.568 -10.903 2.916 1.00 . A A . 9 LYS HE2 1 1 5 797 1 1 9 LYS HE3 H 10.715 -10.925 1.576 1.00 . A A . 9 LYS HE3 1 1 5 798 1 1 9 LYS HG2 H 10.984 -8.150 2.639 1.00 . A A . 9 LYS HG2 1 1 5 799 1 1 9 LYS HG3 H 11.848 -9.172 1.487 1.00 . A A . 9 LYS HG3 1 1 5 800 1 1 9 LYS HZ1 H 10.882 -13.081 2.115 1.00 . A A . 9 LYS HZ1 1 1 5 801 1 1 9 LYS HZ2 H 10.305 -12.861 3.689 1.00 . A A . 9 LYS HZ2 1 1 5 802 1 1 9 LYS HZ3 H 11.925 -12.535 3.330 1.00 . A A . 9 LYS HZ3 1 1 5 803 1 1 9 LYS N N 12.037 -6.889 4.698 1.00 . A A . 9 LYS N 1 1 5 804 1 1 9 LYS NZ N 10.952 -12.488 2.966 1.00 . A A . 9 LYS NZ 1 1 5 805 1 1 9 LYS O O 15.053 -6.441 3.862 1.00 . A A . 9 LYS O 1 1 6 806 1 1 1 THR C C 3.578 -1.667 -0.920 1.00 . A A . 1 THR C 1 1 6 807 1 1 1 THR CA C 2.821 -0.353 -0.760 1.00 . A A . 1 THR CA 1 1 6 808 1 1 1 THR CB C 3.732 0.808 -1.202 1.00 . A A . 1 THR CB 1 1 6 809 1 1 1 THR CG2 C 3.390 1.254 -2.616 1.00 . A A . 1 THR CG2 1 1 6 810 1 1 1 THR H1 H 2.991 0.150 1.289 1.00 . A A . 1 THR H1 1 1 6 811 1 1 1 THR HA H 1.953 -0.368 -1.403 1.00 . A A . 1 THR HA 1 1 6 812 1 1 1 THR HB H 4.757 0.467 -1.186 1.00 . A A . 1 THR HB 1 1 6 813 1 1 1 THR HG1 H 3.836 2.724 -0.750 1.00 . A A . 1 THR HG1 1 1 6 814 1 1 1 THR HG21 H 2.351 1.044 -2.819 1.00 . A A . 1 THR HG21 1 1 6 815 1 1 1 THR HG22 H 4.010 0.721 -3.321 1.00 . A A . 1 THR HG22 1 1 6 816 1 1 1 THR HG23 H 3.568 2.315 -2.711 1.00 . A A . 1 THR HG23 1 1 6 817 1 1 1 THR N N 2.362 -0.175 0.612 1.00 . A A . 1 THR N 1 1 6 818 1 1 1 THR O O 3.666 -2.462 0.015 1.00 . A A . 1 THR O 1 1 6 819 1 1 1 THR OG1 O 3.591 1.911 -0.301 1.00 . A A . 1 THR OG1 1 1 6 820 1 1 2 VAL C C 6.364 -2.904 -2.140 1.00 . A A . 2 VAL C 1 1 6 821 1 1 2 VAL CA C 4.874 -3.106 -2.395 1.00 . A A . 2 VAL CA 1 1 6 822 1 1 2 VAL CB C 4.672 -3.565 -3.851 1.00 . A A . 2 VAL CB 1 1 6 823 1 1 2 VAL CG1 C 4.849 -5.072 -3.965 1.00 . A A . 2 VAL CG1 1 1 6 824 1 1 2 VAL CG2 C 3.301 -3.141 -4.357 1.00 . A A . 2 VAL CG2 1 1 6 825 1 1 2 VAL H H 4.018 -1.217 -2.818 1.00 . A A . 2 VAL H 1 1 6 826 1 1 2 VAL HA H 4.509 -3.883 -1.740 1.00 . A A . 2 VAL HA 1 1 6 827 1 1 2 VAL HB H 5.422 -3.089 -4.465 1.00 . A A . 2 VAL HB 1 1 6 828 1 1 2 VAL HG11 H 5.871 -5.332 -3.732 1.00 . A A . 2 VAL HG11 1 1 6 829 1 1 2 VAL HG12 H 4.183 -5.566 -3.273 1.00 . A A . 2 VAL HG12 1 1 6 830 1 1 2 VAL HG13 H 4.620 -5.385 -4.973 1.00 . A A . 2 VAL HG13 1 1 6 831 1 1 2 VAL HG21 H 3.080 -3.664 -5.275 1.00 . A A . 2 VAL HG21 1 1 6 832 1 1 2 VAL HG22 H 2.553 -3.383 -3.616 1.00 . A A . 2 VAL HG22 1 1 6 833 1 1 2 VAL HG23 H 3.297 -2.077 -4.538 1.00 . A A . 2 VAL HG23 1 1 6 834 1 1 2 VAL N N 4.123 -1.889 -2.112 1.00 . A A . 2 VAL N 1 1 6 835 1 1 2 VAL O O 6.942 -3.529 -1.250 1.00 . A A . 2 VAL O 1 1 6 836 1 1 3 TYR C C 8.718 -1.208 -1.392 1.00 . A A . 3 TYR C 1 1 6 837 1 1 3 TYR CA C 8.403 -1.744 -2.786 1.00 . A A . 3 TYR CA 1 1 6 838 1 1 3 TYR CB C 8.849 -0.734 -3.845 1.00 . A A . 3 TYR CB 1 1 6 839 1 1 3 TYR CD1 C 7.867 -0.661 -6.170 1.00 . A A . 3 TYR CD1 1 1 6 840 1 1 3 TYR CD2 C 9.496 -2.333 -5.690 1.00 . A A . 3 TYR CD2 1 1 6 841 1 1 3 TYR CE1 C 7.759 -1.131 -7.465 1.00 . A A . 3 TYR CE1 1 1 6 842 1 1 3 TYR CE2 C 9.395 -2.809 -6.983 1.00 . A A . 3 TYR CE2 1 1 6 843 1 1 3 TYR CG C 8.735 -1.252 -5.261 1.00 . A A . 3 TYR CG 1 1 6 844 1 1 3 TYR CZ C 8.526 -2.205 -7.866 1.00 . A A . 3 TYR CZ 1 1 6 845 1 1 3 TYR H H 6.465 -1.560 -3.616 1.00 . A A . 3 TYR H 1 1 6 846 1 1 3 TYR HA H 8.941 -2.668 -2.934 1.00 . A A . 3 TYR HA 1 1 6 847 1 1 3 TYR HB2 H 8.239 0.152 -3.767 1.00 . A A . 3 TYR HB2 1 1 6 848 1 1 3 TYR HB3 H 9.882 -0.472 -3.670 1.00 . A A . 3 TYR HB3 1 1 6 849 1 1 3 TYR HD1 H 7.267 0.180 -5.853 1.00 . A A . 3 TYR HD1 1 1 6 850 1 1 3 TYR HD2 H 10.176 -2.805 -4.995 1.00 . A A . 3 TYR HD2 1 1 6 851 1 1 3 TYR HE1 H 7.078 -0.658 -8.157 1.00 . A A . 3 TYR HE1 1 1 6 852 1 1 3 TYR HE2 H 9.995 -3.651 -7.297 1.00 . A A . 3 TYR HE2 1 1 6 853 1 1 3 TYR HH H 9.206 -3.186 -9.373 1.00 . A A . 3 TYR HH 1 1 6 854 1 1 3 TYR N N 6.979 -2.027 -2.925 1.00 . A A . 3 TYR N 1 1 6 855 1 1 3 TYR O O 9.795 -1.455 -0.849 1.00 . A A . 3 TYR O 1 1 6 856 1 1 3 TYR OH O 8.422 -2.677 -9.155 1.00 . A A . 3 TYR OH 1 1 6 857 1 1 4 VAL C C 7.900 -0.989 1.583 1.00 . A A . 4 VAL C 1 1 6 858 1 1 4 VAL CA C 7.943 0.095 0.512 1.00 . A A . 4 VAL CA 1 1 6 859 1 1 4 VAL CB C 6.861 1.147 0.818 1.00 . A A . 4 VAL CB 1 1 6 860 1 1 4 VAL CG1 C 6.968 1.620 2.260 1.00 . A A . 4 VAL CG1 1 1 6 861 1 1 4 VAL CG2 C 6.971 2.319 -0.145 1.00 . A A . 4 VAL CG2 1 1 6 862 1 1 4 VAL H H 6.932 -0.313 -1.302 1.00 . A A . 4 VAL H 1 1 6 863 1 1 4 VAL HA H 8.908 0.581 0.544 1.00 . A A . 4 VAL HA 1 1 6 864 1 1 4 VAL HB H 5.893 0.688 0.684 1.00 . A A . 4 VAL HB 1 1 6 865 1 1 4 VAL HG11 H 7.964 1.996 2.442 1.00 . A A . 4 VAL HG11 1 1 6 866 1 1 4 VAL HG12 H 6.247 2.404 2.436 1.00 . A A . 4 VAL HG12 1 1 6 867 1 1 4 VAL HG13 H 6.770 0.792 2.925 1.00 . A A . 4 VAL HG13 1 1 6 868 1 1 4 VAL HG21 H 7.993 2.665 -0.176 1.00 . A A . 4 VAL HG21 1 1 6 869 1 1 4 VAL HG22 H 6.669 2.004 -1.134 1.00 . A A . 4 VAL HG22 1 1 6 870 1 1 4 VAL HG23 H 6.329 3.121 0.188 1.00 . A A . 4 VAL HG23 1 1 6 871 1 1 4 VAL N N 7.770 -0.475 -0.819 1.00 . A A . 4 VAL N 1 1 6 872 1 1 4 VAL O O 8.568 -0.886 2.613 1.00 . A A . 4 VAL O 1 1 6 873 1 1 5 TYR C C 8.291 -3.899 2.406 1.00 . A A . 5 TYR C 1 1 6 874 1 1 5 TYR CA C 6.979 -3.131 2.279 1.00 . A A . 5 TYR CA 1 1 6 875 1 1 5 TYR CB C 5.862 -4.077 1.837 1.00 . A A . 5 TYR CB 1 1 6 876 1 1 5 TYR CD1 C 4.074 -2.715 2.987 1.00 . A A . 5 TYR CD1 1 1 6 877 1 1 5 TYR CD2 C 3.947 -5.091 3.134 1.00 . A A . 5 TYR CD2 1 1 6 878 1 1 5 TYR CE1 C 2.925 -2.602 3.746 1.00 . A A . 5 TYR CE1 1 1 6 879 1 1 5 TYR CE2 C 2.797 -4.987 3.892 1.00 . A A . 5 TYR CE2 1 1 6 880 1 1 5 TYR CG C 4.604 -3.959 2.667 1.00 . A A . 5 TYR CG 1 1 6 881 1 1 5 TYR CZ C 2.290 -3.740 4.196 1.00 . A A . 5 TYR CZ 1 1 6 882 1 1 5 TYR H H 6.604 -2.054 0.496 1.00 . A A . 5 TYR H 1 1 6 883 1 1 5 TYR HA H 6.725 -2.714 3.242 1.00 . A A . 5 TYR HA 1 1 6 884 1 1 5 TYR HB2 H 5.603 -3.864 0.811 1.00 . A A . 5 TYR HB2 1 1 6 885 1 1 5 TYR HB3 H 6.213 -5.096 1.909 1.00 . A A . 5 TYR HB3 1 1 6 886 1 1 5 TYR HD1 H 4.574 -1.825 2.633 1.00 . A A . 5 TYR HD1 1 1 6 887 1 1 5 TYR HD2 H 4.346 -6.065 2.894 1.00 . A A . 5 TYR HD2 1 1 6 888 1 1 5 TYR HE1 H 2.528 -1.626 3.984 1.00 . A A . 5 TYR HE1 1 1 6 889 1 1 5 TYR HE2 H 2.299 -5.878 4.245 1.00 . A A . 5 TYR HE2 1 1 6 890 1 1 5 TYR HH H 0.939 -4.485 5.343 1.00 . A A . 5 TYR HH 1 1 6 891 1 1 5 TYR N N 7.111 -2.028 1.334 1.00 . A A . 5 TYR N 1 1 6 892 1 1 5 TYR O O 8.472 -4.692 3.330 1.00 . A A . 5 TYR O 1 1 6 893 1 1 5 TYR OH O 1.146 -3.633 4.952 1.00 . A A . 5 TYR OH 1 1 6 894 1 1 6 SER C C 11.279 -3.996 2.743 1.00 . A A . 6 SER C 1 1 6 895 1 1 6 SER CA C 10.499 -4.328 1.474 1.00 . A A . 6 SER CA 1 1 6 896 1 1 6 SER CB C 11.311 -3.923 0.243 1.00 . A A . 6 SER CB 1 1 6 897 1 1 6 SER H H 9.000 -3.015 0.759 1.00 . A A . 6 SER H 1 1 6 898 1 1 6 SER HA H 10.321 -5.393 1.443 1.00 . A A . 6 SER HA 1 1 6 899 1 1 6 SER HB2 H 10.639 -3.718 -0.577 1.00 . A A . 6 SER HB2 1 1 6 900 1 1 6 SER HB3 H 11.884 -3.035 0.469 1.00 . A A . 6 SER HB3 1 1 6 901 1 1 6 SER HG H 12.756 -5.196 0.602 1.00 . A A . 6 SER HG 1 1 6 902 1 1 6 SER N N 9.204 -3.658 1.470 1.00 . A A . 6 SER N 1 1 6 903 1 1 6 SER O O 12.219 -4.701 3.109 1.00 . A A . 6 SER O 1 1 6 904 1 1 6 SER OG O 12.201 -4.955 -0.144 1.00 . A A . 6 SER OG 1 1 6 905 1 1 7 ARG C C 11.607 -3.633 5.646 1.00 . A A . 7 ARG C 1 1 6 906 1 1 7 ARG CA C 11.542 -2.490 4.637 1.00 . A A . 7 ARG CA 1 1 6 907 1 1 7 ARG CB C 10.806 -1.297 5.249 1.00 . A A . 7 ARG CB 1 1 6 908 1 1 7 ARG CD C 8.898 -1.519 6.870 1.00 . A A . 7 ARG CD 1 1 6 909 1 1 7 ARG CG C 9.310 -1.518 5.406 1.00 . A A . 7 ARG CG 1 1 6 910 1 1 7 ARG CZ C 6.445 -1.537 6.706 1.00 . A A . 7 ARG CZ 1 1 6 911 1 1 7 ARG H H 10.124 -2.396 3.068 1.00 . A A . 7 ARG H 1 1 6 912 1 1 7 ARG HA H 12.548 -2.191 4.384 1.00 . A A . 7 ARG HA 1 1 6 913 1 1 7 ARG HB2 H 11.222 -1.094 6.225 1.00 . A A . 7 ARG HB2 1 1 6 914 1 1 7 ARG HB3 H 10.955 -0.435 4.616 1.00 . A A . 7 ARG HB3 1 1 6 915 1 1 7 ARG HD2 H 8.888 -2.538 7.227 1.00 . A A . 7 ARG HD2 1 1 6 916 1 1 7 ARG HD3 H 9.620 -0.947 7.433 1.00 . A A . 7 ARG HD3 1 1 6 917 1 1 7 ARG HE H 7.525 -0.052 7.485 1.00 . A A . 7 ARG HE 1 1 6 918 1 1 7 ARG HG2 H 8.783 -0.727 4.895 1.00 . A A . 7 ARG HG2 1 1 6 919 1 1 7 ARG HG3 H 9.049 -2.470 4.967 1.00 . A A . 7 ARG HG3 1 1 6 920 1 1 7 ARG HH11 H 7.358 -3.185 5.977 1.00 . A A . 7 ARG HH11 1 1 6 921 1 1 7 ARG HH12 H 5.629 -3.185 5.868 1.00 . A A . 7 ARG HH12 1 1 6 922 1 1 7 ARG HH21 H 5.248 -0.040 7.347 1.00 . A A . 7 ARG HH21 1 1 6 923 1 1 7 ARG HH22 H 4.430 -1.396 6.647 1.00 . A A . 7 ARG HH22 1 1 6 924 1 1 7 ARG N N 10.880 -2.917 3.410 1.00 . A A . 7 ARG N 1 1 6 925 1 1 7 ARG NE N 7.574 -0.935 7.065 1.00 . A A . 7 ARG NE 1 1 6 926 1 1 7 ARG NH1 N 6.481 -2.734 6.136 1.00 . A A . 7 ARG NH1 1 1 6 927 1 1 7 ARG NH2 N 5.278 -0.942 6.918 1.00 . A A . 7 ARG NH2 1 1 6 928 1 1 7 ARG O O 12.513 -3.691 6.476 1.00 . A A . 7 ARG O 1 1 6 929 1 1 8 VAL C C 11.714 -6.665 6.185 1.00 . A A . 8 VAL C 1 1 6 930 1 1 8 VAL CA C 10.585 -5.682 6.473 1.00 . A A . 8 VAL CA 1 1 6 931 1 1 8 VAL CB C 9.238 -6.420 6.368 1.00 . A A . 8 VAL CB 1 1 6 932 1 1 8 VAL CG1 C 9.253 -7.684 7.214 1.00 . A A . 8 VAL CG1 1 1 6 933 1 1 8 VAL CG2 C 8.096 -5.505 6.783 1.00 . A A . 8 VAL CG2 1 1 6 934 1 1 8 VAL H H 9.943 -4.440 4.884 1.00 . A A . 8 VAL H 1 1 6 935 1 1 8 VAL HA H 10.692 -5.312 7.483 1.00 . A A . 8 VAL HA 1 1 6 936 1 1 8 VAL HB H 9.086 -6.705 5.337 1.00 . A A . 8 VAL HB 1 1 6 937 1 1 8 VAL HG11 H 9.999 -8.364 6.830 1.00 . A A . 8 VAL HG11 1 1 6 938 1 1 8 VAL HG12 H 9.489 -7.430 8.237 1.00 . A A . 8 VAL HG12 1 1 6 939 1 1 8 VAL HG13 H 8.282 -8.155 7.174 1.00 . A A . 8 VAL HG13 1 1 6 940 1 1 8 VAL HG21 H 7.504 -5.252 5.915 1.00 . A A . 8 VAL HG21 1 1 6 941 1 1 8 VAL HG22 H 7.474 -6.010 7.508 1.00 . A A . 8 VAL HG22 1 1 6 942 1 1 8 VAL HG23 H 8.497 -4.603 7.220 1.00 . A A . 8 VAL HG23 1 1 6 943 1 1 8 VAL N N 10.638 -4.540 5.568 1.00 . A A . 8 VAL N 1 1 6 944 1 1 8 VAL O O 12.669 -6.775 6.954 1.00 . A A . 8 VAL O 1 1 6 945 1 1 9 LYS C C 13.003 -8.169 3.214 1.00 . A A . 9 LYS C 1 1 6 946 1 1 9 LYS CA C 12.611 -8.352 4.676 1.00 . A A . 9 LYS CA 1 1 6 947 1 1 9 LYS CB C 12.094 -9.775 4.902 1.00 . A A . 9 LYS CB 1 1 6 948 1 1 9 LYS CD C 11.047 -10.656 2.796 1.00 . A A . 9 LYS CD 1 1 6 949 1 1 9 LYS CE C 9.908 -11.563 2.357 1.00 . A A . 9 LYS CE 1 1 6 950 1 1 9 LYS CG C 10.794 -10.072 4.175 1.00 . A A . 9 LYS CG 1 1 6 951 1 1 9 LYS H H 10.815 -7.246 4.496 1.00 . A A . 9 LYS H 1 1 6 952 1 1 9 LYS HA H 13.483 -8.193 5.293 1.00 . A A . 9 LYS HA 1 1 6 953 1 1 9 LYS HB2 H 12.842 -10.475 4.560 1.00 . A A . 9 LYS HB2 1 1 6 954 1 1 9 LYS HB3 H 11.932 -9.922 5.960 1.00 . A A . 9 LYS HB3 1 1 6 955 1 1 9 LYS HD2 H 11.144 -9.849 2.085 1.00 . A A . 9 LYS HD2 1 1 6 956 1 1 9 LYS HD3 H 11.963 -11.229 2.820 1.00 . A A . 9 LYS HD3 1 1 6 957 1 1 9 LYS HE2 H 10.200 -12.589 2.515 1.00 . A A . 9 LYS HE2 1 1 6 958 1 1 9 LYS HE3 H 9.037 -11.340 2.956 1.00 . A A . 9 LYS HE3 1 1 6 959 1 1 9 LYS HG2 H 10.222 -10.781 4.755 1.00 . A A . 9 LYS HG2 1 1 6 960 1 1 9 LYS HG3 H 10.233 -9.154 4.070 1.00 . A A . 9 LYS HG3 1 1 6 961 1 1 9 LYS HZ1 H 9.530 -10.357 0.694 1.00 . A A . 9 LYS HZ1 1 1 6 962 1 1 9 LYS HZ2 H 8.643 -11.797 0.711 1.00 . A A . 9 LYS HZ2 1 1 6 963 1 1 9 LYS HZ3 H 10.289 -11.822 0.319 1.00 . A A . 9 LYS HZ3 1 1 6 964 1 1 9 LYS N N 11.600 -7.378 5.070 1.00 . A A . 9 LYS N 1 1 6 965 1 1 9 LYS NZ N 9.569 -11.372 0.919 1.00 . A A . 9 LYS NZ 1 1 6 966 1 1 9 LYS O O 14.012 -7.534 2.906 1.00 . A A . 9 LYS O 1 1 7 967 1 1 1 THR C C 3.617 -2.747 -1.047 1.00 . A A . 1 THR C 1 1 7 968 1 1 1 THR CA C 2.587 -1.625 -0.985 1.00 . A A . 1 THR CA 1 1 7 969 1 1 1 THR CB C 3.286 -0.285 -1.279 1.00 . A A . 1 THR CB 1 1 7 970 1 1 1 THR CG2 C 2.966 0.195 -2.687 1.00 . A A . 1 THR CG2 1 1 7 971 1 1 1 THR H1 H 2.153 -0.909 0.959 1.00 . A A . 1 THR H1 1 1 7 972 1 1 1 THR HA H 1.840 -1.793 -1.747 1.00 . A A . 1 THR HA 1 1 7 973 1 1 1 THR HB H 4.354 -0.427 -1.198 1.00 . A A . 1 THR HB 1 1 7 974 1 1 1 THR HG1 H 2.974 1.578 -0.711 1.00 . A A . 1 THR HG1 1 1 7 975 1 1 1 THR HG21 H 3.863 0.580 -3.149 1.00 . A A . 1 THR HG21 1 1 7 976 1 1 1 THR HG22 H 2.221 0.974 -2.641 1.00 . A A . 1 THR HG22 1 1 7 977 1 1 1 THR HG23 H 2.588 -0.631 -3.271 1.00 . A A . 1 THR HG23 1 1 7 978 1 1 1 THR N N 1.914 -1.601 0.308 1.00 . A A . 1 THR N 1 1 7 979 1 1 1 THR O O 3.711 -3.568 -0.135 1.00 . A A . 1 THR O 1 1 7 980 1 1 1 THR OG1 O 2.873 0.703 -0.329 1.00 . A A . 1 THR OG1 1 1 7 981 1 1 2 VAL C C 6.767 -3.314 -1.795 1.00 . A A . 2 VAL C 1 1 7 982 1 1 2 VAL CA C 5.415 -3.797 -2.309 1.00 . A A . 2 VAL CA 1 1 7 983 1 1 2 VAL CB C 5.553 -4.198 -3.789 1.00 . A A . 2 VAL CB 1 1 7 984 1 1 2 VAL CG1 C 6.058 -5.627 -3.910 1.00 . A A . 2 VAL CG1 1 1 7 985 1 1 2 VAL CG2 C 4.226 -4.029 -4.513 1.00 . A A . 2 VAL CG2 1 1 7 986 1 1 2 VAL H H 4.267 -2.094 -2.821 1.00 . A A . 2 VAL H 1 1 7 987 1 1 2 VAL HA H 5.118 -4.671 -1.747 1.00 . A A . 2 VAL HA 1 1 7 988 1 1 2 VAL HB H 6.277 -3.543 -4.252 1.00 . A A . 2 VAL HB 1 1 7 989 1 1 2 VAL HG11 H 6.635 -5.729 -4.818 1.00 . A A . 2 VAL HG11 1 1 7 990 1 1 2 VAL HG12 H 6.679 -5.863 -3.059 1.00 . A A . 2 VAL HG12 1 1 7 991 1 1 2 VAL HG13 H 5.217 -6.304 -3.942 1.00 . A A . 2 VAL HG13 1 1 7 992 1 1 2 VAL HG21 H 4.273 -4.527 -5.470 1.00 . A A . 2 VAL HG21 1 1 7 993 1 1 2 VAL HG22 H 3.434 -4.464 -3.920 1.00 . A A . 2 VAL HG22 1 1 7 994 1 1 2 VAL HG23 H 4.027 -2.979 -4.662 1.00 . A A . 2 VAL HG23 1 1 7 995 1 1 2 VAL N N 4.389 -2.776 -2.128 1.00 . A A . 2 VAL N 1 1 7 996 1 1 2 VAL O O 7.310 -3.862 -0.836 1.00 . A A . 2 VAL O 1 1 7 997 1 1 3 TYR C C 8.524 -1.115 -0.656 1.00 . A A . 3 TYR C 1 1 7 998 1 1 3 TYR CA C 8.595 -1.729 -2.050 1.00 . A A . 3 TYR CA 1 1 7 999 1 1 3 TYR CB C 9.046 -0.674 -3.062 1.00 . A A . 3 TYR CB 1 1 7 1000 1 1 3 TYR CD1 C 8.474 -0.984 -5.502 1.00 . A A . 3 TYR CD1 1 1 7 1001 1 1 3 TYR CD2 C 10.453 -2.019 -4.670 1.00 . A A . 3 TYR CD2 1 1 7 1002 1 1 3 TYR CE1 C 8.728 -1.495 -6.760 1.00 . A A . 3 TYR CE1 1 1 7 1003 1 1 3 TYR CE2 C 10.716 -2.534 -5.925 1.00 . A A . 3 TYR CE2 1 1 7 1004 1 1 3 TYR CG C 9.330 -1.236 -4.437 1.00 . A A . 3 TYR CG 1 1 7 1005 1 1 3 TYR CZ C 9.851 -2.269 -6.966 1.00 . A A . 3 TYR CZ 1 1 7 1006 1 1 3 TYR H H 6.824 -1.890 -3.197 1.00 . A A . 3 TYR H 1 1 7 1007 1 1 3 TYR HA H 9.314 -2.535 -2.041 1.00 . A A . 3 TYR HA 1 1 7 1008 1 1 3 TYR HB2 H 8.273 0.072 -3.163 1.00 . A A . 3 TYR HB2 1 1 7 1009 1 1 3 TYR HB3 H 9.949 -0.203 -2.703 1.00 . A A . 3 TYR HB3 1 1 7 1010 1 1 3 TYR HD1 H 7.595 -0.377 -5.337 1.00 . A A . 3 TYR HD1 1 1 7 1011 1 1 3 TYR HD2 H 11.128 -2.225 -3.853 1.00 . A A . 3 TYR HD2 1 1 7 1012 1 1 3 TYR HE1 H 8.051 -1.288 -7.575 1.00 . A A . 3 TYR HE1 1 1 7 1013 1 1 3 TYR HE2 H 11.595 -3.140 -6.087 1.00 . A A . 3 TYR HE2 1 1 7 1014 1 1 3 TYR HH H 9.411 -2.518 -8.821 1.00 . A A . 3 TYR HH 1 1 7 1015 1 1 3 TYR N N 7.305 -2.285 -2.440 1.00 . A A . 3 TYR N 1 1 7 1016 1 1 3 TYR O O 9.506 -1.116 0.087 1.00 . A A . 3 TYR O 1 1 7 1017 1 1 3 TYR OH O 10.109 -2.781 -8.217 1.00 . A A . 3 TYR OH 1 1 7 1018 1 1 4 VAL C C 7.162 -1.019 2.109 1.00 . A A . 4 VAL C 1 1 7 1019 1 1 4 VAL CA C 7.153 0.027 1.000 1.00 . A A . 4 VAL CA 1 1 7 1020 1 1 4 VAL CB C 5.825 0.805 1.054 1.00 . A A . 4 VAL CB 1 1 7 1021 1 1 4 VAL CG1 C 5.566 1.322 2.461 1.00 . A A . 4 VAL CG1 1 1 7 1022 1 1 4 VAL CG2 C 5.837 1.949 0.051 1.00 . A A . 4 VAL CG2 1 1 7 1023 1 1 4 VAL H H 6.609 -0.618 -0.941 1.00 . A A . 4 VAL H 1 1 7 1024 1 1 4 VAL HA H 7.961 0.723 1.169 1.00 . A A . 4 VAL HA 1 1 7 1025 1 1 4 VAL HB H 5.024 0.130 0.790 1.00 . A A . 4 VAL HB 1 1 7 1026 1 1 4 VAL HG11 H 4.663 1.916 2.466 1.00 . A A . 4 VAL HG11 1 1 7 1027 1 1 4 VAL HG12 H 5.452 0.487 3.137 1.00 . A A . 4 VAL HG12 1 1 7 1028 1 1 4 VAL HG13 H 6.398 1.932 2.780 1.00 . A A . 4 VAL HG13 1 1 7 1029 1 1 4 VAL HG21 H 5.835 2.891 0.580 1.00 . A A . 4 VAL HG21 1 1 7 1030 1 1 4 VAL HG22 H 6.725 1.882 -0.561 1.00 . A A . 4 VAL HG22 1 1 7 1031 1 1 4 VAL HG23 H 4.961 1.886 -0.577 1.00 . A A . 4 VAL HG23 1 1 7 1032 1 1 4 VAL N N 7.354 -0.590 -0.306 1.00 . A A . 4 VAL N 1 1 7 1033 1 1 4 VAL O O 7.592 -0.747 3.230 1.00 . A A . 4 VAL O 1 1 7 1034 1 1 5 TYR C C 7.889 -4.169 2.671 1.00 . A A . 5 TYR C 1 1 7 1035 1 1 5 TYR CA C 6.635 -3.304 2.759 1.00 . A A . 5 TYR CA 1 1 7 1036 1 1 5 TYR CB C 5.392 -4.165 2.529 1.00 . A A . 5 TYR CB 1 1 7 1037 1 1 5 TYR CD1 C 3.364 -4.337 4.024 1.00 . A A . 5 TYR CD1 1 1 7 1038 1 1 5 TYR CD2 C 3.719 -2.299 2.841 1.00 . A A . 5 TYR CD2 1 1 7 1039 1 1 5 TYR CE1 C 2.215 -3.816 4.587 1.00 . A A . 5 TYR CE1 1 1 7 1040 1 1 5 TYR CE2 C 2.572 -1.769 3.400 1.00 . A A . 5 TYR CE2 1 1 7 1041 1 1 5 TYR CG C 4.135 -3.589 3.143 1.00 . A A . 5 TYR CG 1 1 7 1042 1 1 5 TYR CZ C 1.824 -2.532 4.272 1.00 . A A . 5 TYR CZ 1 1 7 1043 1 1 5 TYR H H 6.355 -2.373 0.879 1.00 . A A . 5 TYR H 1 1 7 1044 1 1 5 TYR HA H 6.581 -2.867 3.745 1.00 . A A . 5 TYR HA 1 1 7 1045 1 1 5 TYR HB2 H 5.224 -4.267 1.468 1.00 . A A . 5 TYR HB2 1 1 7 1046 1 1 5 TYR HB3 H 5.554 -5.142 2.959 1.00 . A A . 5 TYR HB3 1 1 7 1047 1 1 5 TYR HD1 H 3.674 -5.343 4.269 1.00 . A A . 5 TYR HD1 1 1 7 1048 1 1 5 TYR HD2 H 4.307 -1.705 2.156 1.00 . A A . 5 TYR HD2 1 1 7 1049 1 1 5 TYR HE1 H 1.629 -4.412 5.271 1.00 . A A . 5 TYR HE1 1 1 7 1050 1 1 5 TYR HE2 H 2.265 -0.764 3.153 1.00 . A A . 5 TYR HE2 1 1 7 1051 1 1 5 TYR HH H 0.910 -1.493 5.607 1.00 . A A . 5 TYR HH 1 1 7 1052 1 1 5 TYR N N 6.684 -2.217 1.789 1.00 . A A . 5 TYR N 1 1 7 1053 1 1 5 TYR O O 8.167 -4.972 3.562 1.00 . A A . 5 TYR O 1 1 7 1054 1 1 5 TYR OH O 0.680 -2.008 4.831 1.00 . A A . 5 TYR OH 1 1 7 1055 1 1 6 SER C C 10.873 -4.494 2.497 1.00 . A A . 6 SER C 1 1 7 1056 1 1 6 SER CA C 9.866 -4.765 1.383 1.00 . A A . 6 SER CA 1 1 7 1057 1 1 6 SER CB C 10.485 -4.421 0.027 1.00 . A A . 6 SER CB 1 1 7 1058 1 1 6 SER H H 8.369 -3.343 0.915 1.00 . A A . 6 SER H 1 1 7 1059 1 1 6 SER HA H 9.607 -5.813 1.395 1.00 . A A . 6 SER HA 1 1 7 1060 1 1 6 SER HB2 H 9.859 -3.703 -0.480 1.00 . A A . 6 SER HB2 1 1 7 1061 1 1 6 SER HB3 H 11.467 -3.997 0.180 1.00 . A A . 6 SER HB3 1 1 7 1062 1 1 6 SER HG H 11.439 -6.015 -0.594 1.00 . A A . 6 SER HG 1 1 7 1063 1 1 6 SER N N 8.643 -3.999 1.590 1.00 . A A . 6 SER N 1 1 7 1064 1 1 6 SER O O 11.803 -5.271 2.711 1.00 . A A . 6 SER O 1 1 7 1065 1 1 6 SER OG O 10.608 -5.575 -0.786 1.00 . A A . 6 SER OG 1 1 7 1066 1 1 7 ARG C C 11.714 -4.154 5.297 1.00 . A A . 7 ARG C 1 1 7 1067 1 1 7 ARG CA C 11.568 -3.011 4.297 1.00 . A A . 7 ARG CA 1 1 7 1068 1 1 7 ARG CB C 11.042 -1.762 5.006 1.00 . A A . 7 ARG CB 1 1 7 1069 1 1 7 ARG CD C 9.425 -1.832 6.929 1.00 . A A . 7 ARG CD 1 1 7 1070 1 1 7 ARG CG C 9.582 -1.865 5.417 1.00 . A A . 7 ARG CG 1 1 7 1071 1 1 7 ARG CZ C 8.266 0.296 7.341 1.00 . A A . 7 ARG CZ 1 1 7 1072 1 1 7 ARG H H 9.918 -2.807 2.987 1.00 . A A . 7 ARG H 1 1 7 1073 1 1 7 ARG HA H 12.538 -2.792 3.875 1.00 . A A . 7 ARG HA 1 1 7 1074 1 1 7 ARG HB2 H 11.631 -1.591 5.895 1.00 . A A . 7 ARG HB2 1 1 7 1075 1 1 7 ARG HB3 H 11.148 -0.915 4.345 1.00 . A A . 7 ARG HB3 1 1 7 1076 1 1 7 ARG HD2 H 8.520 -2.358 7.196 1.00 . A A . 7 ARG HD2 1 1 7 1077 1 1 7 ARG HD3 H 10.274 -2.328 7.376 1.00 . A A . 7 ARG HD3 1 1 7 1078 1 1 7 ARG HE H 10.143 -0.103 7.884 1.00 . A A . 7 ARG HE 1 1 7 1079 1 1 7 ARG HG2 H 9.038 -1.034 4.992 1.00 . A A . 7 ARG HG2 1 1 7 1080 1 1 7 ARG HG3 H 9.177 -2.793 5.042 1.00 . A A . 7 ARG HG3 1 1 7 1081 1 1 7 ARG HH11 H 7.167 -1.098 6.377 1.00 . A A . 7 ARG HH11 1 1 7 1082 1 1 7 ARG HH12 H 6.362 0.407 6.673 1.00 . A A . 7 ARG HH12 1 1 7 1083 1 1 7 ARG HH21 H 9.094 1.883 8.280 1.00 . A A . 7 ARG HH21 1 1 7 1084 1 1 7 ARG HH22 H 7.459 2.103 7.755 1.00 . A A . 7 ARG HH22 1 1 7 1085 1 1 7 ARG N N 10.678 -3.386 3.205 1.00 . A A . 7 ARG N 1 1 7 1086 1 1 7 ARG NE N 9.348 -0.467 7.443 1.00 . A A . 7 ARG NE 1 1 7 1087 1 1 7 ARG NH1 N 7.176 -0.169 6.748 1.00 . A A . 7 ARG NH1 1 1 7 1088 1 1 7 ARG NH2 N 8.274 1.529 7.833 1.00 . A A . 7 ARG NH2 1 1 7 1089 1 1 7 ARG O O 12.741 -4.283 5.964 1.00 . A A . 7 ARG O 1 1 7 1090 1 1 8 VAL C C 11.686 -7.176 5.864 1.00 . A A . 8 VAL C 1 1 7 1091 1 1 8 VAL CA C 10.690 -6.114 6.315 1.00 . A A . 8 VAL CA 1 1 7 1092 1 1 8 VAL CB C 9.294 -6.753 6.437 1.00 . A A . 8 VAL CB 1 1 7 1093 1 1 8 VAL CG1 C 9.354 -8.009 7.293 1.00 . A A . 8 VAL CG1 1 1 7 1094 1 1 8 VAL CG2 C 8.300 -5.754 7.010 1.00 . A A . 8 VAL CG2 1 1 7 1095 1 1 8 VAL H H 9.887 -4.827 4.839 1.00 . A A . 8 VAL H 1 1 7 1096 1 1 8 VAL HA H 10.983 -5.751 7.290 1.00 . A A . 8 VAL HA 1 1 7 1097 1 1 8 VAL HB H 8.961 -7.033 5.448 1.00 . A A . 8 VAL HB 1 1 7 1098 1 1 8 VAL HG11 H 8.358 -8.410 7.413 1.00 . A A . 8 VAL HG11 1 1 7 1099 1 1 8 VAL HG12 H 9.984 -8.743 6.812 1.00 . A A . 8 VAL HG12 1 1 7 1100 1 1 8 VAL HG13 H 9.762 -7.764 8.262 1.00 . A A . 8 VAL HG13 1 1 7 1101 1 1 8 VAL HG21 H 7.473 -6.287 7.457 1.00 . A A . 8 VAL HG21 1 1 7 1102 1 1 8 VAL HG22 H 8.787 -5.150 7.761 1.00 . A A . 8 VAL HG22 1 1 7 1103 1 1 8 VAL HG23 H 7.932 -5.117 6.219 1.00 . A A . 8 VAL HG23 1 1 7 1104 1 1 8 VAL N N 10.678 -4.981 5.397 1.00 . A A . 8 VAL N 1 1 7 1105 1 1 8 VAL O O 12.741 -7.353 6.473 1.00 . A A . 8 VAL O 1 1 7 1106 1 1 9 LYS C C 13.433 -8.325 3.576 1.00 . A A . 9 LYS C 1 1 7 1107 1 1 9 LYS CA C 12.208 -8.928 4.256 1.00 . A A . 9 LYS CA 1 1 7 1108 1 1 9 LYS CB C 11.435 -9.796 3.260 1.00 . A A . 9 LYS CB 1 1 7 1109 1 1 9 LYS CD C 9.502 -9.326 1.726 1.00 . A A . 9 LYS CD 1 1 7 1110 1 1 9 LYS CE C 9.235 -9.323 0.229 1.00 . A A . 9 LYS CE 1 1 7 1111 1 1 9 LYS CG C 10.963 -9.039 2.031 1.00 . A A . 9 LYS CG 1 1 7 1112 1 1 9 LYS H H 10.489 -7.695 4.349 1.00 . A A . 9 LYS H 1 1 7 1113 1 1 9 LYS HA H 12.534 -9.543 5.080 1.00 . A A . 9 LYS HA 1 1 7 1114 1 1 9 LYS HB2 H 12.072 -10.606 2.937 1.00 . A A . 9 LYS HB2 1 1 7 1115 1 1 9 LYS HB3 H 10.568 -10.208 3.758 1.00 . A A . 9 LYS HB3 1 1 7 1116 1 1 9 LYS HD2 H 9.243 -10.295 2.125 1.00 . A A . 9 LYS HD2 1 1 7 1117 1 1 9 LYS HD3 H 8.891 -8.567 2.194 1.00 . A A . 9 LYS HD3 1 1 7 1118 1 1 9 LYS HE2 H 8.182 -9.150 0.065 1.00 . A A . 9 LYS HE2 1 1 7 1119 1 1 9 LYS HE3 H 9.805 -8.526 -0.224 1.00 . A A . 9 LYS HE3 1 1 7 1120 1 1 9 LYS HG2 H 11.083 -7.980 2.203 1.00 . A A . 9 LYS HG2 1 1 7 1121 1 1 9 LYS HG3 H 11.564 -9.338 1.183 1.00 . A A . 9 LYS HG3 1 1 7 1122 1 1 9 LYS HZ1 H 9.594 -11.380 0.300 1.00 . A A . 9 LYS HZ1 1 1 7 1123 1 1 9 LYS HZ2 H 10.580 -10.550 -0.796 1.00 . A A . 9 LYS HZ2 1 1 7 1124 1 1 9 LYS HZ3 H 8.958 -10.846 -1.174 1.00 . A A . 9 LYS HZ3 1 1 7 1125 1 1 9 LYS N N 11.344 -7.882 4.792 1.00 . A A . 9 LYS N 1 1 7 1126 1 1 9 LYS NZ N 9.618 -10.615 -0.405 1.00 . A A . 9 LYS NZ 1 1 7 1127 1 1 9 LYS O O 14.537 -8.861 3.677 1.00 . A A . 9 LYS O 1 1 8 1128 1 1 1 THR C C 3.269 -2.871 -1.196 1.00 . A A . 1 THR C 1 1 8 1129 1 1 1 THR CA C 2.157 -1.924 -0.757 1.00 . A A . 1 THR CA 1 1 8 1130 1 1 1 THR CB C 2.701 -0.483 -0.746 1.00 . A A . 1 THR CB 1 1 8 1131 1 1 1 THR CG2 C 2.191 0.297 -1.949 1.00 . A A . 1 THR CG2 1 1 8 1132 1 1 1 THR H1 H 2.017 -1.905 1.355 1.00 . A A . 1 THR H1 1 1 8 1133 1 1 1 THR HA H 1.349 -1.977 -1.472 1.00 . A A . 1 THR HA 1 1 8 1134 1 1 1 THR HB H 3.780 -0.521 -0.792 1.00 . A A . 1 THR HB 1 1 8 1135 1 1 1 THR HG1 H 1.352 0.141 0.550 1.00 . A A . 1 THR HG1 1 1 8 1136 1 1 1 THR HG21 H 2.879 1.097 -2.177 1.00 . A A . 1 THR HG21 1 1 8 1137 1 1 1 THR HG22 H 1.219 0.710 -1.724 1.00 . A A . 1 THR HG22 1 1 8 1138 1 1 1 THR HG23 H 2.113 -0.364 -2.799 1.00 . A A . 1 THR HG23 1 1 8 1139 1 1 1 THR N N 1.629 -2.303 0.547 1.00 . A A . 1 THR N 1 1 8 1140 1 1 1 THR O O 3.547 -3.869 -0.531 1.00 . A A . 1 THR O 1 1 8 1141 1 1 1 THR OG1 O 2.307 0.180 0.460 1.00 . A A . 1 THR OG1 1 1 8 1142 1 1 2 VAL C C 6.341 -2.867 -2.370 1.00 . A A . 2 VAL C 1 1 8 1143 1 1 2 VAL CA C 4.985 -3.373 -2.848 1.00 . A A . 2 VAL CA 1 1 8 1144 1 1 2 VAL CB C 4.972 -3.397 -4.388 1.00 . A A . 2 VAL CB 1 1 8 1145 1 1 2 VAL CG1 C 5.586 -4.688 -4.907 1.00 . A A . 2 VAL CG1 1 1 8 1146 1 1 2 VAL CG2 C 3.554 -3.223 -4.911 1.00 . A A . 2 VAL CG2 1 1 8 1147 1 1 2 VAL H H 3.635 -1.743 -2.806 1.00 . A A . 2 VAL H 1 1 8 1148 1 1 2 VAL HA H 4.842 -4.383 -2.492 1.00 . A A . 2 VAL HA 1 1 8 1149 1 1 2 VAL HB H 5.569 -2.571 -4.746 1.00 . A A . 2 VAL HB 1 1 8 1150 1 1 2 VAL HG11 H 5.987 -4.523 -5.897 1.00 . A A . 2 VAL HG11 1 1 8 1151 1 1 2 VAL HG12 H 6.379 -5.002 -4.244 1.00 . A A . 2 VAL HG12 1 1 8 1152 1 1 2 VAL HG13 H 4.827 -5.455 -4.950 1.00 . A A . 2 VAL HG13 1 1 8 1153 1 1 2 VAL HG21 H 3.245 -2.197 -4.777 1.00 . A A . 2 VAL HG21 1 1 8 1154 1 1 2 VAL HG22 H 3.525 -3.472 -5.962 1.00 . A A . 2 VAL HG22 1 1 8 1155 1 1 2 VAL HG23 H 2.887 -3.875 -4.368 1.00 . A A . 2 VAL HG23 1 1 8 1156 1 1 2 VAL N N 3.902 -2.551 -2.321 1.00 . A A . 2 VAL N 1 1 8 1157 1 1 2 VAL O O 7.048 -3.556 -1.634 1.00 . A A . 2 VAL O 1 1 8 1158 1 1 3 TYR C C 8.072 -0.919 -0.893 1.00 . A A . 3 TYR C 1 1 8 1159 1 1 3 TYR CA C 7.971 -1.061 -2.408 1.00 . A A . 3 TYR CA 1 1 8 1160 1 1 3 TYR CB C 8.136 0.308 -3.072 1.00 . A A . 3 TYR CB 1 1 8 1161 1 1 3 TYR CD1 C 10.649 0.512 -2.930 1.00 . A A . 3 TYR CD1 1 1 8 1162 1 1 3 TYR CD2 C 9.624 0.714 -5.072 1.00 . A A . 3 TYR CD2 1 1 8 1163 1 1 3 TYR CE1 C 11.892 0.702 -3.502 1.00 . A A . 3 TYR CE1 1 1 8 1164 1 1 3 TYR CE2 C 10.863 0.903 -5.652 1.00 . A A . 3 TYR CE2 1 1 8 1165 1 1 3 TYR CG C 9.495 0.515 -3.703 1.00 . A A . 3 TYR CG 1 1 8 1166 1 1 3 TYR CZ C 11.994 0.896 -4.863 1.00 . A A . 3 TYR CZ 1 1 8 1167 1 1 3 TYR H H 6.092 -1.158 -3.377 1.00 . A A . 3 TYR H 1 1 8 1168 1 1 3 TYR HA H 8.761 -1.713 -2.751 1.00 . A A . 3 TYR HA 1 1 8 1169 1 1 3 TYR HB2 H 7.392 0.417 -3.845 1.00 . A A . 3 TYR HB2 1 1 8 1170 1 1 3 TYR HB3 H 7.994 1.079 -2.330 1.00 . A A . 3 TYR HB3 1 1 8 1171 1 1 3 TYR HD1 H 10.566 0.360 -1.863 1.00 . A A . 3 TYR HD1 1 1 8 1172 1 1 3 TYR HD2 H 8.735 0.719 -5.687 1.00 . A A . 3 TYR HD2 1 1 8 1173 1 1 3 TYR HE1 H 12.778 0.697 -2.884 1.00 . A A . 3 TYR HE1 1 1 8 1174 1 1 3 TYR HE2 H 10.942 1.055 -6.719 1.00 . A A . 3 TYR HE2 1 1 8 1175 1 1 3 TYR HH H 13.746 0.280 -5.358 1.00 . A A . 3 TYR HH 1 1 8 1176 1 1 3 TYR N N 6.698 -1.659 -2.792 1.00 . A A . 3 TYR N 1 1 8 1177 1 1 3 TYR O O 9.159 -0.997 -0.321 1.00 . A A . 3 TYR O 1 1 8 1178 1 1 3 TYR OH O 13.230 1.085 -5.438 1.00 . A A . 3 TYR OH 1 1 8 1179 1 1 4 VAL C C 7.197 -1.877 1.902 1.00 . A A . 4 VAL C 1 1 8 1180 1 1 4 VAL CA C 6.886 -0.559 1.202 1.00 . A A . 4 VAL CA 1 1 8 1181 1 1 4 VAL CB C 5.510 -0.052 1.673 1.00 . A A . 4 VAL CB 1 1 8 1182 1 1 4 VAL CG1 C 5.440 -0.032 3.193 1.00 . A A . 4 VAL CG1 1 1 8 1183 1 1 4 VAL CG2 C 5.225 1.328 1.100 1.00 . A A . 4 VAL CG2 1 1 8 1184 1 1 4 VAL H H 6.094 -0.657 -0.758 1.00 . A A . 4 VAL H 1 1 8 1185 1 1 4 VAL HA H 7.631 0.172 1.484 1.00 . A A . 4 VAL HA 1 1 8 1186 1 1 4 VAL HB H 4.754 -0.733 1.309 1.00 . A A . 4 VAL HB 1 1 8 1187 1 1 4 VAL HG11 H 5.535 -1.039 3.571 1.00 . A A . 4 VAL HG11 1 1 8 1188 1 1 4 VAL HG12 H 6.241 0.578 3.582 1.00 . A A . 4 VAL HG12 1 1 8 1189 1 1 4 VAL HG13 H 4.490 0.379 3.503 1.00 . A A . 4 VAL HG13 1 1 8 1190 1 1 4 VAL HG21 H 4.352 1.743 1.579 1.00 . A A . 4 VAL HG21 1 1 8 1191 1 1 4 VAL HG22 H 6.074 1.973 1.276 1.00 . A A . 4 VAL HG22 1 1 8 1192 1 1 4 VAL HG23 H 5.050 1.247 0.037 1.00 . A A . 4 VAL HG23 1 1 8 1193 1 1 4 VAL N N 6.929 -0.710 -0.247 1.00 . A A . 4 VAL N 1 1 8 1194 1 1 4 VAL O O 7.775 -1.894 2.989 1.00 . A A . 4 VAL O 1 1 8 1195 1 1 5 TYR C C 8.368 -4.880 1.338 1.00 . A A . 5 TYR C 1 1 8 1196 1 1 5 TYR CA C 7.046 -4.305 1.834 1.00 . A A . 5 TYR CA 1 1 8 1197 1 1 5 TYR CB C 5.898 -5.248 1.470 1.00 . A A . 5 TYR CB 1 1 8 1198 1 1 5 TYR CD1 C 5.411 -5.972 3.840 1.00 . A A . 5 TYR CD1 1 1 8 1199 1 1 5 TYR CD2 C 3.579 -5.303 2.470 1.00 . A A . 5 TYR CD2 1 1 8 1200 1 1 5 TYR CE1 C 4.545 -6.215 4.888 1.00 . A A . 5 TYR CE1 1 1 8 1201 1 1 5 TYR CE2 C 2.706 -5.542 3.513 1.00 . A A . 5 TYR CE2 1 1 8 1202 1 1 5 TYR CG C 4.945 -5.512 2.614 1.00 . A A . 5 TYR CG 1 1 8 1203 1 1 5 TYR CZ C 3.193 -5.999 4.719 1.00 . A A . 5 TYR CZ 1 1 8 1204 1 1 5 TYR H H 6.354 -2.903 0.408 1.00 . A A . 5 TYR H 1 1 8 1205 1 1 5 TYR HA H 7.090 -4.206 2.909 1.00 . A A . 5 TYR HA 1 1 8 1206 1 1 5 TYR HB2 H 5.330 -4.818 0.660 1.00 . A A . 5 TYR HB2 1 1 8 1207 1 1 5 TYR HB3 H 6.307 -6.196 1.153 1.00 . A A . 5 TYR HB3 1 1 8 1208 1 1 5 TYR HD1 H 6.471 -6.141 3.969 1.00 . A A . 5 TYR HD1 1 1 8 1209 1 1 5 TYR HD2 H 3.201 -4.946 1.523 1.00 . A A . 5 TYR HD2 1 1 8 1210 1 1 5 TYR HE1 H 4.926 -6.572 5.833 1.00 . A A . 5 TYR HE1 1 1 8 1211 1 1 5 TYR HE2 H 1.647 -5.373 3.381 1.00 . A A . 5 TYR HE2 1 1 8 1212 1 1 5 TYR HH H 2.541 -7.082 6.168 1.00 . A A . 5 TYR HH 1 1 8 1213 1 1 5 TYR N N 6.810 -2.980 1.271 1.00 . A A . 5 TYR N 1 1 8 1214 1 1 5 TYR O O 8.878 -5.858 1.886 1.00 . A A . 5 TYR O 1 1 8 1215 1 1 5 TYR OH O 2.326 -6.240 5.760 1.00 . A A . 5 TYR OH 1 1 8 1216 1 1 6 SER C C 11.336 -4.476 0.690 1.00 . A A . 6 SER C 1 1 8 1217 1 1 6 SER CA C 10.182 -4.717 -0.278 1.00 . A A . 6 SER CA 1 1 8 1218 1 1 6 SER CB C 10.452 -3.997 -1.601 1.00 . A A . 6 SER CB 1 1 8 1219 1 1 6 SER H H 8.465 -3.491 -0.097 1.00 . A A . 6 SER H 1 1 8 1220 1 1 6 SER HA H 10.100 -5.778 -0.465 1.00 . A A . 6 SER HA 1 1 8 1221 1 1 6 SER HB2 H 9.885 -3.079 -1.630 1.00 . A A . 6 SER HB2 1 1 8 1222 1 1 6 SER HB3 H 11.506 -3.773 -1.677 1.00 . A A . 6 SER HB3 1 1 8 1223 1 1 6 SER HG H 9.948 -4.245 -3.477 1.00 . A A . 6 SER HG 1 1 8 1224 1 1 6 SER N N 8.920 -4.266 0.296 1.00 . A A . 6 SER N 1 1 8 1225 1 1 6 SER O O 12.404 -5.076 0.562 1.00 . A A . 6 SER O 1 1 8 1226 1 1 6 SER OG O 10.075 -4.801 -2.705 1.00 . A A . 6 SER OG 1 1 8 1227 1 1 7 ARG C C 11.983 -4.145 3.889 1.00 . A A . 7 ARG C 1 1 8 1228 1 1 7 ARG CA C 12.134 -3.271 2.648 1.00 . A A . 7 ARG CA 1 1 8 1229 1 1 7 ARG CB C 12.048 -1.794 3.038 1.00 . A A . 7 ARG CB 1 1 8 1230 1 1 7 ARG CD C 10.696 -0.054 4.247 1.00 . A A . 7 ARG CD 1 1 8 1231 1 1 7 ARG CG C 10.656 -1.355 3.461 1.00 . A A . 7 ARG CG 1 1 8 1232 1 1 7 ARG CZ C 10.861 0.664 6.592 1.00 . A A . 7 ARG CZ 1 1 8 1233 1 1 7 ARG H H 10.242 -3.147 1.708 1.00 . A A . 7 ARG H 1 1 8 1234 1 1 7 ARG HA H 13.099 -3.461 2.203 1.00 . A A . 7 ARG HA 1 1 8 1235 1 1 7 ARG HB2 H 12.724 -1.610 3.860 1.00 . A A . 7 ARG HB2 1 1 8 1236 1 1 7 ARG HB3 H 12.350 -1.193 2.193 1.00 . A A . 7 ARG HB3 1 1 8 1237 1 1 7 ARG HD2 H 11.469 0.576 3.834 1.00 . A A . 7 ARG HD2 1 1 8 1238 1 1 7 ARG HD3 H 9.740 0.439 4.150 1.00 . A A . 7 ARG HD3 1 1 8 1239 1 1 7 ARG HE H 11.256 -1.177 5.933 1.00 . A A . 7 ARG HE 1 1 8 1240 1 1 7 ARG HG2 H 10.050 -1.211 2.578 1.00 . A A . 7 ARG HG2 1 1 8 1241 1 1 7 ARG HG3 H 10.218 -2.126 4.078 1.00 . A A . 7 ARG HG3 1 1 8 1242 1 1 7 ARG HH11 H 10.275 2.103 5.301 1.00 . A A . 7 ARG HH11 1 1 8 1243 1 1 7 ARG HH12 H 10.396 2.596 6.958 1.00 . A A . 7 ARG HH12 1 1 8 1244 1 1 7 ARG HH21 H 11.419 -0.540 8.117 1.00 . A A . 7 ARG HH21 1 1 8 1245 1 1 7 ARG HH22 H 11.047 1.093 8.559 1.00 . A A . 7 ARG HH22 1 1 8 1246 1 1 7 ARG N N 11.113 -3.593 1.658 1.00 . A A . 7 ARG N 1 1 8 1247 1 1 7 ARG NE N 10.973 -0.279 5.663 1.00 . A A . 7 ARG NE 1 1 8 1248 1 1 7 ARG NH1 N 10.480 1.889 6.256 1.00 . A A . 7 ARG NH1 1 1 8 1249 1 1 7 ARG NH2 N 11.131 0.383 7.860 1.00 . A A . 7 ARG NH2 1 1 8 1250 1 1 7 ARG O O 12.959 -4.428 4.584 1.00 . A A . 7 ARG O 1 1 8 1251 1 1 8 VAL C C 11.051 -6.810 5.133 1.00 . A A . 8 VAL C 1 1 8 1252 1 1 8 VAL CA C 10.474 -5.411 5.319 1.00 . A A . 8 VAL CA 1 1 8 1253 1 1 8 VAL CB C 8.961 -5.523 5.580 1.00 . A A . 8 VAL CB 1 1 8 1254 1 1 8 VAL CG1 C 8.683 -6.517 6.698 1.00 . A A . 8 VAL CG1 1 1 8 1255 1 1 8 VAL CG2 C 8.375 -4.158 5.912 1.00 . A A . 8 VAL CG2 1 1 8 1256 1 1 8 VAL H H 10.016 -4.310 3.571 1.00 . A A . 8 VAL H 1 1 8 1257 1 1 8 VAL HA H 10.935 -4.955 6.183 1.00 . A A . 8 VAL HA 1 1 8 1258 1 1 8 VAL HB H 8.486 -5.886 4.680 1.00 . A A . 8 VAL HB 1 1 8 1259 1 1 8 VAL HG11 H 9.005 -7.501 6.392 1.00 . A A . 8 VAL HG11 1 1 8 1260 1 1 8 VAL HG12 H 9.222 -6.220 7.586 1.00 . A A . 8 VAL HG12 1 1 8 1261 1 1 8 VAL HG13 H 7.624 -6.534 6.909 1.00 . A A . 8 VAL HG13 1 1 8 1262 1 1 8 VAL HG21 H 8.165 -3.626 4.996 1.00 . A A . 8 VAL HG21 1 1 8 1263 1 1 8 VAL HG22 H 7.461 -4.285 6.473 1.00 . A A . 8 VAL HG22 1 1 8 1264 1 1 8 VAL HG23 H 9.084 -3.596 6.501 1.00 . A A . 8 VAL HG23 1 1 8 1265 1 1 8 VAL N N 10.753 -4.569 4.162 1.00 . A A . 8 VAL N 1 1 8 1266 1 1 8 VAL O O 12.038 -7.177 5.771 1.00 . A A . 8 VAL O 1 1 8 1267 1 1 9 LYS C C 12.260 -8.942 3.328 1.00 . A A . 9 LYS C 1 1 8 1268 1 1 9 LYS CA C 10.881 -8.947 3.979 1.00 . A A . 9 LYS CA 1 1 8 1269 1 1 9 LYS CB C 9.880 -9.666 3.071 1.00 . A A . 9 LYS CB 1 1 8 1270 1 1 9 LYS CD C 8.512 -10.920 4.764 1.00 . A A . 9 LYS CD 1 1 8 1271 1 1 9 LYS CE C 7.471 -11.991 4.477 1.00 . A A . 9 LYS CE 1 1 8 1272 1 1 9 LYS CG C 8.507 -9.838 3.697 1.00 . A A . 9 LYS CG 1 1 8 1273 1 1 9 LYS H H 9.648 -7.239 3.775 1.00 . A A . 9 LYS H 1 1 8 1274 1 1 9 LYS HA H 10.942 -9.472 4.920 1.00 . A A . 9 LYS HA 1 1 8 1275 1 1 9 LYS HB2 H 9.769 -9.099 2.159 1.00 . A A . 9 LYS HB2 1 1 8 1276 1 1 9 LYS HB3 H 10.269 -10.645 2.832 1.00 . A A . 9 LYS HB3 1 1 8 1277 1 1 9 LYS HD2 H 9.488 -11.381 4.793 1.00 . A A . 9 LYS HD2 1 1 8 1278 1 1 9 LYS HD3 H 8.296 -10.469 5.722 1.00 . A A . 9 LYS HD3 1 1 8 1279 1 1 9 LYS HE2 H 7.249 -11.984 3.421 1.00 . A A . 9 LYS HE2 1 1 8 1280 1 1 9 LYS HE3 H 7.879 -12.953 4.752 1.00 . A A . 9 LYS HE3 1 1 8 1281 1 1 9 LYS HG2 H 8.207 -8.904 4.148 1.00 . A A . 9 LYS HG2 1 1 8 1282 1 1 9 LYS HG3 H 7.801 -10.110 2.925 1.00 . A A . 9 LYS HG3 1 1 8 1283 1 1 9 LYS HZ1 H 6.419 -11.693 6.256 1.00 . A A . 9 LYS HZ1 1 1 8 1284 1 1 9 LYS HZ2 H 5.552 -12.549 5.083 1.00 . A A . 9 LYS HZ2 1 1 8 1285 1 1 9 LYS HZ3 H 5.762 -10.878 4.927 1.00 . A A . 9 LYS HZ3 1 1 8 1286 1 1 9 LYS N N 10.429 -7.588 4.253 1.00 . A A . 9 LYS N 1 1 8 1287 1 1 9 LYS NZ N 6.213 -11.761 5.239 1.00 . A A . 9 LYS NZ 1 1 8 1288 1 1 9 LYS O O 12.432 -8.434 2.220 1.00 . A A . 9 LYS O 1 1 9 1289 1 1 1 THR C C 3.871 -0.674 -1.513 1.00 . A A . 1 THR C 1 1 9 1290 1 1 1 THR CA C 3.240 0.708 -1.632 1.00 . A A . 1 THR CA 1 1 9 1291 1 1 1 THR CB C 4.280 1.686 -2.212 1.00 . A A . 1 THR CB 1 1 9 1292 1 1 1 THR CG2 C 4.283 1.634 -3.732 1.00 . A A . 1 THR CG2 1 1 9 1293 1 1 1 THR H1 H 2.842 2.112 -0.099 1.00 . A A . 1 THR H1 1 1 9 1294 1 1 1 THR HA H 2.406 0.655 -2.317 1.00 . A A . 1 THR HA 1 1 9 1295 1 1 1 THR HB H 5.259 1.400 -1.854 1.00 . A A . 1 THR HB 1 1 9 1296 1 1 1 THR HG1 H 3.183 3.325 -2.189 1.00 . A A . 1 THR HG1 1 1 9 1297 1 1 1 THR HG21 H 3.456 1.029 -4.074 1.00 . A A . 1 THR HG21 1 1 9 1298 1 1 1 THR HG22 H 5.211 1.202 -4.076 1.00 . A A . 1 THR HG22 1 1 9 1299 1 1 1 THR HG23 H 4.183 2.634 -4.126 1.00 . A A . 1 THR HG23 1 1 9 1300 1 1 1 THR N N 2.737 1.169 -0.345 1.00 . A A . 1 THR N 1 1 9 1301 1 1 1 THR O O 4.273 -1.093 -0.428 1.00 . A A . 1 THR O 1 1 9 1302 1 1 1 THR OG1 O 3.994 3.020 -1.776 1.00 . A A . 1 THR OG1 1 1 9 1303 1 1 2 VAL C C 5.888 -2.738 -1.946 1.00 . A A . 2 VAL C 1 1 9 1304 1 1 2 VAL CA C 4.541 -2.716 -2.659 1.00 . A A . 2 VAL CA 1 1 9 1305 1 1 2 VAL CB C 4.727 -3.223 -4.101 1.00 . A A . 2 VAL CB 1 1 9 1306 1 1 2 VAL CG1 C 3.392 -3.645 -4.695 1.00 . A A . 2 VAL CG1 1 1 9 1307 1 1 2 VAL CG2 C 5.389 -2.156 -4.959 1.00 . A A . 2 VAL CG2 1 1 9 1308 1 1 2 VAL H H 3.619 -0.992 -3.471 1.00 . A A . 2 VAL H 1 1 9 1309 1 1 2 VAL HA H 3.863 -3.385 -2.148 1.00 . A A . 2 VAL HA 1 1 9 1310 1 1 2 VAL HB H 5.374 -4.088 -4.076 1.00 . A A . 2 VAL HB 1 1 9 1311 1 1 2 VAL HG11 H 3.500 -4.606 -5.177 1.00 . A A . 2 VAL HG11 1 1 9 1312 1 1 2 VAL HG12 H 2.654 -3.716 -3.910 1.00 . A A . 2 VAL HG12 1 1 9 1313 1 1 2 VAL HG13 H 3.075 -2.912 -5.423 1.00 . A A . 2 VAL HG13 1 1 9 1314 1 1 2 VAL HG21 H 4.849 -1.227 -4.857 1.00 . A A . 2 VAL HG21 1 1 9 1315 1 1 2 VAL HG22 H 6.411 -2.016 -4.637 1.00 . A A . 2 VAL HG22 1 1 9 1316 1 1 2 VAL HG23 H 5.378 -2.467 -5.993 1.00 . A A . 2 VAL HG23 1 1 9 1317 1 1 2 VAL N N 3.956 -1.380 -2.637 1.00 . A A . 2 VAL N 1 1 9 1318 1 1 2 VAL O O 6.152 -3.613 -1.121 1.00 . A A . 2 VAL O 1 1 9 1319 1 1 3 TYR C C 7.955 -1.570 -0.142 1.00 . A A . 3 TYR C 1 1 9 1320 1 1 3 TYR CA C 8.060 -1.677 -1.660 1.00 . A A . 3 TYR CA 1 1 9 1321 1 1 3 TYR CB C 8.818 -0.471 -2.216 1.00 . A A . 3 TYR CB 1 1 9 1322 1 1 3 TYR CD1 C 10.838 -1.074 -3.606 1.00 . A A . 3 TYR CD1 1 1 9 1323 1 1 3 TYR CD2 C 8.781 -0.654 -4.735 1.00 . A A . 3 TYR CD2 1 1 9 1324 1 1 3 TYR CE1 C 11.457 -1.319 -4.816 1.00 . A A . 3 TYR CE1 1 1 9 1325 1 1 3 TYR CE2 C 9.392 -0.898 -5.949 1.00 . A A . 3 TYR CE2 1 1 9 1326 1 1 3 TYR CG C 9.491 -0.738 -3.543 1.00 . A A . 3 TYR CG 1 1 9 1327 1 1 3 TYR CZ C 10.730 -1.230 -5.985 1.00 . A A . 3 TYR CZ 1 1 9 1328 1 1 3 TYR H H 6.470 -1.099 -2.932 1.00 . A A . 3 TYR H 1 1 9 1329 1 1 3 TYR HA H 8.602 -2.577 -1.909 1.00 . A A . 3 TYR HA 1 1 9 1330 1 1 3 TYR HB2 H 8.128 0.347 -2.354 1.00 . A A . 3 TYR HB2 1 1 9 1331 1 1 3 TYR HB3 H 9.581 -0.177 -1.510 1.00 . A A . 3 TYR HB3 1 1 9 1332 1 1 3 TYR HD1 H 11.405 -1.144 -2.689 1.00 . A A . 3 TYR HD1 1 1 9 1333 1 1 3 TYR HD2 H 7.733 -0.393 -4.703 1.00 . A A . 3 TYR HD2 1 1 9 1334 1 1 3 TYR HE1 H 12.505 -1.579 -4.845 1.00 . A A . 3 TYR HE1 1 1 9 1335 1 1 3 TYR HE2 H 8.823 -0.828 -6.865 1.00 . A A . 3 TYR HE2 1 1 9 1336 1 1 3 TYR HH H 11.300 -0.683 -7.738 1.00 . A A . 3 TYR HH 1 1 9 1337 1 1 3 TYR N N 6.737 -1.769 -2.268 1.00 . A A . 3 TYR N 1 1 9 1338 1 1 3 TYR O O 8.798 -2.089 0.589 1.00 . A A . 3 TYR O 1 1 9 1339 1 1 3 TYR OH O 11.343 -1.473 -7.193 1.00 . A A . 3 TYR OH 1 1 9 1340 1 1 4 VAL C C 6.593 -2.064 2.467 1.00 . A A . 4 VAL C 1 1 9 1341 1 1 4 VAL CA C 6.693 -0.718 1.757 1.00 . A A . 4 VAL CA 1 1 9 1342 1 1 4 VAL CB C 5.413 0.093 2.035 1.00 . A A . 4 VAL CB 1 1 9 1343 1 1 4 VAL CG1 C 5.315 0.449 3.510 1.00 . A A . 4 VAL CG1 1 1 9 1344 1 1 4 VAL CG2 C 5.378 1.345 1.172 1.00 . A A . 4 VAL CG2 1 1 9 1345 1 1 4 VAL H H 6.272 -0.502 -0.306 1.00 . A A . 4 VAL H 1 1 9 1346 1 1 4 VAL HA H 7.534 -0.172 2.159 1.00 . A A . 4 VAL HA 1 1 9 1347 1 1 4 VAL HB H 4.560 -0.520 1.778 1.00 . A A . 4 VAL HB 1 1 9 1348 1 1 4 VAL HG11 H 4.807 -0.344 4.039 1.00 . A A . 4 VAL HG11 1 1 9 1349 1 1 4 VAL HG12 H 6.308 0.576 3.917 1.00 . A A . 4 VAL HG12 1 1 9 1350 1 1 4 VAL HG13 H 4.760 1.369 3.622 1.00 . A A . 4 VAL HG13 1 1 9 1351 1 1 4 VAL HG21 H 4.582 1.992 1.509 1.00 . A A . 4 VAL HG21 1 1 9 1352 1 1 4 VAL HG22 H 6.322 1.864 1.252 1.00 . A A . 4 VAL HG22 1 1 9 1353 1 1 4 VAL HG23 H 5.206 1.069 0.142 1.00 . A A . 4 VAL HG23 1 1 9 1354 1 1 4 VAL N N 6.911 -0.893 0.326 1.00 . A A . 4 VAL N 1 1 9 1355 1 1 4 VAL O O 6.949 -2.188 3.638 1.00 . A A . 4 VAL O 1 1 9 1356 1 1 5 TYR C C 7.195 -5.255 2.033 1.00 . A A . 5 TYR C 1 1 9 1357 1 1 5 TYR CA C 5.957 -4.407 2.309 1.00 . A A . 5 TYR CA 1 1 9 1358 1 1 5 TYR CB C 4.717 -5.091 1.730 1.00 . A A . 5 TYR CB 1 1 9 1359 1 1 5 TYR CD1 C 3.606 -7.161 2.654 1.00 . A A . 5 TYR CD1 1 1 9 1360 1 1 5 TYR CD2 C 3.359 -5.120 3.859 1.00 . A A . 5 TYR CD2 1 1 9 1361 1 1 5 TYR CE1 C 2.840 -7.817 3.599 1.00 . A A . 5 TYR CE1 1 1 9 1362 1 1 5 TYR CE2 C 2.593 -5.767 4.809 1.00 . A A . 5 TYR CE2 1 1 9 1363 1 1 5 TYR CG C 3.879 -5.804 2.767 1.00 . A A . 5 TYR CG 1 1 9 1364 1 1 5 TYR CZ C 2.336 -7.116 4.675 1.00 . A A . 5 TYR CZ 1 1 9 1365 1 1 5 TYR H H 5.839 -2.909 0.820 1.00 . A A . 5 TYR H 1 1 9 1366 1 1 5 TYR HA H 5.835 -4.307 3.378 1.00 . A A . 5 TYR HA 1 1 9 1367 1 1 5 TYR HB2 H 4.094 -4.349 1.255 1.00 . A A . 5 TYR HB2 1 1 9 1368 1 1 5 TYR HB3 H 5.026 -5.819 0.995 1.00 . A A . 5 TYR HB3 1 1 9 1369 1 1 5 TYR HD1 H 4.002 -7.708 1.811 1.00 . A A . 5 TYR HD1 1 1 9 1370 1 1 5 TYR HD2 H 3.562 -4.063 3.961 1.00 . A A . 5 TYR HD2 1 1 9 1371 1 1 5 TYR HE1 H 2.638 -8.873 3.494 1.00 . A A . 5 TYR HE1 1 1 9 1372 1 1 5 TYR HE2 H 2.198 -5.218 5.651 1.00 . A A . 5 TYR HE2 1 1 9 1373 1 1 5 TYR HH H 0.697 -7.930 5.262 1.00 . A A . 5 TYR HH 1 1 9 1374 1 1 5 TYR N N 6.106 -3.070 1.749 1.00 . A A . 5 TYR N 1 1 9 1375 1 1 5 TYR O O 7.385 -6.311 2.635 1.00 . A A . 5 TYR O 1 1 9 1376 1 1 5 TYR OH O 1.573 -7.764 5.618 1.00 . A A . 5 TYR OH 1 1 9 1377 1 1 6 SER C C 10.433 -5.017 1.596 1.00 . A A . 6 SER C 1 1 9 1378 1 1 6 SER CA C 9.253 -5.498 0.756 1.00 . A A . 6 SER CA 1 1 9 1379 1 1 6 SER CB C 9.560 -5.309 -0.730 1.00 . A A . 6 SER CB 1 1 9 1380 1 1 6 SER H H 7.828 -3.935 0.671 1.00 . A A . 6 SER H 1 1 9 1381 1 1 6 SER HA H 9.092 -6.548 0.952 1.00 . A A . 6 SER HA 1 1 9 1382 1 1 6 SER HB2 H 9.057 -4.424 -1.090 1.00 . A A . 6 SER HB2 1 1 9 1383 1 1 6 SER HB3 H 10.626 -5.197 -0.864 1.00 . A A . 6 SER HB3 1 1 9 1384 1 1 6 SER HG H 9.856 -6.782 -1.987 1.00 . A A . 6 SER HG 1 1 9 1385 1 1 6 SER N N 8.034 -4.783 1.117 1.00 . A A . 6 SER N 1 1 9 1386 1 1 6 SER O O 11.452 -5.700 1.703 1.00 . A A . 6 SER O 1 1 9 1387 1 1 6 SER OG O 9.119 -6.423 -1.487 1.00 . A A . 6 SER OG 1 1 9 1388 1 1 7 ARG C C 11.611 -4.138 4.237 1.00 . A A . 7 ARG C 1 1 9 1389 1 1 7 ARG CA C 11.341 -3.263 3.017 1.00 . A A . 7 ARG CA 1 1 9 1390 1 1 7 ARG CB C 10.956 -1.851 3.464 1.00 . A A . 7 ARG CB 1 1 9 1391 1 1 7 ARG CD C 9.280 -0.446 4.702 1.00 . A A . 7 ARG CD 1 1 9 1392 1 1 7 ARG CG C 9.902 -1.826 4.559 1.00 . A A . 7 ARG CG 1 1 9 1393 1 1 7 ARG CZ C 9.228 1.401 6.324 1.00 . A A . 7 ARG CZ 1 1 9 1394 1 1 7 ARG H H 9.452 -3.339 2.065 1.00 . A A . 7 ARG H 1 1 9 1395 1 1 7 ARG HA H 12.240 -3.209 2.421 1.00 . A A . 7 ARG HA 1 1 9 1396 1 1 7 ARG HB2 H 11.838 -1.349 3.832 1.00 . A A . 7 ARG HB2 1 1 9 1397 1 1 7 ARG HB3 H 10.572 -1.310 2.613 1.00 . A A . 7 ARG HB3 1 1 9 1398 1 1 7 ARG HD2 H 9.617 0.173 3.884 1.00 . A A . 7 ARG HD2 1 1 9 1399 1 1 7 ARG HD3 H 8.205 -0.544 4.659 1.00 . A A . 7 ARG HD3 1 1 9 1400 1 1 7 ARG HE H 10.237 -0.303 6.568 1.00 . A A . 7 ARG HE 1 1 9 1401 1 1 7 ARG HG2 H 9.125 -2.536 4.316 1.00 . A A . 7 ARG HG2 1 1 9 1402 1 1 7 ARG HG3 H 10.364 -2.102 5.496 1.00 . A A . 7 ARG HG3 1 1 9 1403 1 1 7 ARG HH11 H 8.143 1.710 4.648 1.00 . A A . 7 ARG HH11 1 1 9 1404 1 1 7 ARG HH12 H 8.115 3.004 5.800 1.00 . A A . 7 ARG HH12 1 1 9 1405 1 1 7 ARG HH21 H 10.208 1.394 8.092 1.00 . A A . 7 ARG HH21 1 1 9 1406 1 1 7 ARG HH22 H 9.291 2.824 7.758 1.00 . A A . 7 ARG HH22 1 1 9 1407 1 1 7 ARG N N 10.288 -3.836 2.188 1.00 . A A . 7 ARG N 1 1 9 1408 1 1 7 ARG NE N 9.648 0.193 5.962 1.00 . A A . 7 ARG NE 1 1 9 1409 1 1 7 ARG NH1 N 8.430 2.096 5.525 1.00 . A A . 7 ARG NH1 1 1 9 1410 1 1 7 ARG NH2 N 9.607 1.915 7.487 1.00 . A A . 7 ARG NH2 1 1 9 1411 1 1 7 ARG O O 12.731 -4.186 4.745 1.00 . A A . 7 ARG O 1 1 9 1412 1 1 8 VAL C C 11.790 -6.750 5.648 1.00 . A A . 8 VAL C 1 1 9 1413 1 1 8 VAL CA C 10.701 -5.705 5.863 1.00 . A A . 8 VAL CA 1 1 9 1414 1 1 8 VAL CB C 9.372 -6.420 6.172 1.00 . A A . 8 VAL CB 1 1 9 1415 1 1 8 VAL CG1 C 9.462 -7.164 7.496 1.00 . A A . 8 VAL CG1 1 1 9 1416 1 1 8 VAL CG2 C 8.223 -5.424 6.188 1.00 . A A . 8 VAL CG2 1 1 9 1417 1 1 8 VAL H H 9.708 -4.751 4.255 1.00 . A A . 8 VAL H 1 1 9 1418 1 1 8 VAL HA H 10.964 -5.094 6.714 1.00 . A A . 8 VAL HA 1 1 9 1419 1 1 8 VAL HB H 9.185 -7.141 5.391 1.00 . A A . 8 VAL HB 1 1 9 1420 1 1 8 VAL HG11 H 8.471 -7.290 7.906 1.00 . A A . 8 VAL HG11 1 1 9 1421 1 1 8 VAL HG12 H 9.912 -8.133 7.335 1.00 . A A . 8 VAL HG12 1 1 9 1422 1 1 8 VAL HG13 H 10.067 -6.596 8.187 1.00 . A A . 8 VAL HG13 1 1 9 1423 1 1 8 VAL HG21 H 7.871 -5.265 5.180 1.00 . A A . 8 VAL HG21 1 1 9 1424 1 1 8 VAL HG22 H 7.417 -5.813 6.793 1.00 . A A . 8 VAL HG22 1 1 9 1425 1 1 8 VAL HG23 H 8.563 -4.487 6.603 1.00 . A A . 8 VAL HG23 1 1 9 1426 1 1 8 VAL N N 10.576 -4.830 4.703 1.00 . A A . 8 VAL N 1 1 9 1427 1 1 8 VAL O O 12.454 -7.175 6.594 1.00 . A A . 8 VAL O 1 1 9 1428 1 1 9 LYS C C 13.369 -8.053 2.585 1.00 . A A . 9 LYS C 1 1 9 1429 1 1 9 LYS CA C 12.979 -8.155 4.056 1.00 . A A . 9 LYS CA 1 1 9 1430 1 1 9 LYS CB C 12.462 -9.563 4.360 1.00 . A A . 9 LYS CB 1 1 9 1431 1 1 9 LYS CD C 10.227 -10.696 4.184 1.00 . A A . 9 LYS CD 1 1 9 1432 1 1 9 LYS CE C 9.201 -11.299 3.236 1.00 . A A . 9 LYS CE 1 1 9 1433 1 1 9 LYS CG C 11.356 -10.020 3.424 1.00 . A A . 9 LYS CG 1 1 9 1434 1 1 9 LYS H H 11.409 -6.785 3.686 1.00 . A A . 9 LYS H 1 1 9 1435 1 1 9 LYS HA H 13.852 -7.963 4.661 1.00 . A A . 9 LYS HA 1 1 9 1436 1 1 9 LYS HB2 H 13.283 -10.260 4.281 1.00 . A A . 9 LYS HB2 1 1 9 1437 1 1 9 LYS HB3 H 12.080 -9.583 5.371 1.00 . A A . 9 LYS HB3 1 1 9 1438 1 1 9 LYS HD2 H 10.638 -11.484 4.798 1.00 . A A . 9 LYS HD2 1 1 9 1439 1 1 9 LYS HD3 H 9.739 -9.965 4.812 1.00 . A A . 9 LYS HD3 1 1 9 1440 1 1 9 LYS HE2 H 9.684 -12.055 2.637 1.00 . A A . 9 LYS HE2 1 1 9 1441 1 1 9 LYS HE3 H 8.413 -11.751 3.821 1.00 . A A . 9 LYS HE3 1 1 9 1442 1 1 9 LYS HG2 H 10.961 -9.161 2.902 1.00 . A A . 9 LYS HG2 1 1 9 1443 1 1 9 LYS HG3 H 11.768 -10.720 2.711 1.00 . A A . 9 LYS HG3 1 1 9 1444 1 1 9 LYS HZ1 H 8.768 -9.320 2.724 1.00 . A A . 9 LYS HZ1 1 1 9 1445 1 1 9 LYS HZ2 H 7.584 -10.427 2.242 1.00 . A A . 9 LYS HZ2 1 1 9 1446 1 1 9 LYS HZ3 H 9.044 -10.328 1.393 1.00 . A A . 9 LYS HZ3 1 1 9 1447 1 1 9 LYS N N 11.969 -7.161 4.397 1.00 . A A . 9 LYS N 1 1 9 1448 1 1 9 LYS NZ N 8.608 -10.272 2.335 1.00 . A A . 9 LYS NZ 1 1 9 1449 1 1 9 LYS O O 14.075 -8.913 2.058 1.00 . A A . 9 LYS O 1 1 10 1450 1 1 1 THR C C 3.165 -1.599 -1.079 1.00 . A A . 1 THR C 1 1 10 1451 1 1 1 THR CA C 2.321 -0.356 -0.824 1.00 . A A . 1 THR CA 1 1 10 1452 1 1 1 THR CB C 3.192 0.896 -1.039 1.00 . A A . 1 THR CB 1 1 10 1453 1 1 1 THR CG2 C 2.892 1.539 -2.385 1.00 . A A . 1 THR CG2 1 1 10 1454 1 1 1 THR H1 H 2.095 0.231 1.197 1.00 . A A . 1 THR H1 1 1 10 1455 1 1 1 THR HA H 1.509 -0.331 -1.537 1.00 . A A . 1 THR HA 1 1 10 1456 1 1 1 THR HB H 4.231 0.600 -1.022 1.00 . A A . 1 THR HB 1 1 10 1457 1 1 1 THR HG1 H 3.463 2.641 -0.161 1.00 . A A . 1 THR HG1 1 1 10 1458 1 1 1 THR HG21 H 2.473 0.800 -3.052 1.00 . A A . 1 THR HG21 1 1 10 1459 1 1 1 THR HG22 H 3.805 1.930 -2.809 1.00 . A A . 1 THR HG22 1 1 10 1460 1 1 1 THR HG23 H 2.184 2.343 -2.250 1.00 . A A . 1 THR HG23 1 1 10 1461 1 1 1 THR N N 1.744 -0.378 0.514 1.00 . A A . 1 THR N 1 1 10 1462 1 1 1 THR O O 3.257 -2.485 -0.229 1.00 . A A . 1 THR O 1 1 10 1463 1 1 1 THR OG1 O 2.958 1.842 0.009 1.00 . A A . 1 THR OG1 1 1 10 1464 1 1 2 VAL C C 6.085 -2.525 -2.286 1.00 . A A . 2 VAL C 1 1 10 1465 1 1 2 VAL CA C 4.622 -2.793 -2.621 1.00 . A A . 2 VAL CA 1 1 10 1466 1 1 2 VAL CB C 4.501 -3.118 -4.122 1.00 . A A . 2 VAL CB 1 1 10 1467 1 1 2 VAL CG1 C 4.782 -4.592 -4.373 1.00 . A A . 2 VAL CG1 1 1 10 1468 1 1 2 VAL CG2 C 3.124 -2.734 -4.641 1.00 . A A . 2 VAL CG2 1 1 10 1469 1 1 2 VAL H H 3.671 -0.921 -2.891 1.00 . A A . 2 VAL H 1 1 10 1470 1 1 2 VAL HA H 4.286 -3.652 -2.060 1.00 . A A . 2 VAL HA 1 1 10 1471 1 1 2 VAL HB H 5.240 -2.538 -4.656 1.00 . A A . 2 VAL HB 1 1 10 1472 1 1 2 VAL HG11 H 5.690 -4.877 -3.861 1.00 . A A . 2 VAL HG11 1 1 10 1473 1 1 2 VAL HG12 H 3.958 -5.184 -4.003 1.00 . A A . 2 VAL HG12 1 1 10 1474 1 1 2 VAL HG13 H 4.899 -4.761 -5.433 1.00 . A A . 2 VAL HG13 1 1 10 1475 1 1 2 VAL HG21 H 3.057 -1.659 -4.717 1.00 . A A . 2 VAL HG21 1 1 10 1476 1 1 2 VAL HG22 H 2.971 -3.173 -5.617 1.00 . A A . 2 VAL HG22 1 1 10 1477 1 1 2 VAL HG23 H 2.368 -3.096 -3.961 1.00 . A A . 2 VAL HG23 1 1 10 1478 1 1 2 VAL N N 3.782 -1.658 -2.255 1.00 . A A . 2 VAL N 1 1 10 1479 1 1 2 VAL O O 6.672 -3.197 -1.438 1.00 . A A . 2 VAL O 1 1 10 1480 1 1 3 TYR C C 8.286 -0.729 -1.293 1.00 . A A . 3 TYR C 1 1 10 1481 1 1 3 TYR CA C 8.064 -1.182 -2.733 1.00 . A A . 3 TYR CA 1 1 10 1482 1 1 3 TYR CB C 8.492 -0.075 -3.699 1.00 . A A . 3 TYR CB 1 1 10 1483 1 1 3 TYR CD1 C 8.651 -1.236 -5.936 1.00 . A A . 3 TYR CD1 1 1 10 1484 1 1 3 TYR CD2 C 10.657 -0.400 -4.957 1.00 . A A . 3 TYR CD2 1 1 10 1485 1 1 3 TYR CE1 C 9.369 -1.699 -7.022 1.00 . A A . 3 TYR CE1 1 1 10 1486 1 1 3 TYR CE2 C 11.382 -0.859 -6.039 1.00 . A A . 3 TYR CE2 1 1 10 1487 1 1 3 TYR CG C 9.281 -0.579 -4.886 1.00 . A A . 3 TYR CG 1 1 10 1488 1 1 3 TYR CZ C 10.734 -1.507 -7.070 1.00 . A A . 3 TYR CZ 1 1 10 1489 1 1 3 TYR H H 6.149 -1.038 -3.622 1.00 . A A . 3 TYR H 1 1 10 1490 1 1 3 TYR HA H 8.665 -2.060 -2.919 1.00 . A A . 3 TYR HA 1 1 10 1491 1 1 3 TYR HB2 H 7.612 0.425 -4.075 1.00 . A A . 3 TYR HB2 1 1 10 1492 1 1 3 TYR HB3 H 9.107 0.638 -3.170 1.00 . A A . 3 TYR HB3 1 1 10 1493 1 1 3 TYR HD1 H 7.582 -1.384 -5.896 1.00 . A A . 3 TYR HD1 1 1 10 1494 1 1 3 TYR HD2 H 11.162 0.108 -4.148 1.00 . A A . 3 TYR HD2 1 1 10 1495 1 1 3 TYR HE1 H 8.861 -2.206 -7.829 1.00 . A A . 3 TYR HE1 1 1 10 1496 1 1 3 TYR HE2 H 12.451 -0.710 -6.076 1.00 . A A . 3 TYR HE2 1 1 10 1497 1 1 3 TYR HH H 12.261 -1.455 -8.236 1.00 . A A . 3 TYR HH 1 1 10 1498 1 1 3 TYR N N 6.668 -1.538 -2.958 1.00 . A A . 3 TYR N 1 1 10 1499 1 1 3 TYR O O 9.354 -0.943 -0.720 1.00 . A A . 3 TYR O 1 1 10 1500 1 1 3 TYR OH O 11.453 -1.967 -8.149 1.00 . A A . 3 TYR OH 1 1 10 1501 1 1 4 VAL C C 7.366 -0.778 1.649 1.00 . A A . 4 VAL C 1 1 10 1502 1 1 4 VAL CA C 7.348 0.381 0.660 1.00 . A A . 4 VAL CA 1 1 10 1503 1 1 4 VAL CB C 6.169 1.313 0.998 1.00 . A A . 4 VAL CB 1 1 10 1504 1 1 4 VAL CG1 C 6.194 1.693 2.470 1.00 . A A . 4 VAL CG1 1 1 10 1505 1 1 4 VAL CG2 C 6.201 2.553 0.118 1.00 . A A . 4 VAL CG2 1 1 10 1506 1 1 4 VAL H H 6.442 0.040 -1.222 1.00 . A A . 4 VAL H 1 1 10 1507 1 1 4 VAL HA H 8.265 0.944 0.763 1.00 . A A . 4 VAL HA 1 1 10 1508 1 1 4 VAL HB H 5.249 0.781 0.802 1.00 . A A . 4 VAL HB 1 1 10 1509 1 1 4 VAL HG11 H 7.145 2.147 2.708 1.00 . A A . 4 VAL HG11 1 1 10 1510 1 1 4 VAL HG12 H 5.398 2.393 2.675 1.00 . A A . 4 VAL HG12 1 1 10 1511 1 1 4 VAL HG13 H 6.059 0.807 3.073 1.00 . A A . 4 VAL HG13 1 1 10 1512 1 1 4 VAL HG21 H 5.742 3.377 0.642 1.00 . A A . 4 VAL HG21 1 1 10 1513 1 1 4 VAL HG22 H 7.226 2.802 -0.117 1.00 . A A . 4 VAL HG22 1 1 10 1514 1 1 4 VAL HG23 H 5.660 2.360 -0.796 1.00 . A A . 4 VAL HG23 1 1 10 1515 1 1 4 VAL N N 7.267 -0.101 -0.714 1.00 . A A . 4 VAL N 1 1 10 1516 1 1 4 VAL O O 7.959 -0.682 2.724 1.00 . A A . 4 VAL O 1 1 10 1517 1 1 5 TYR C C 7.884 -3.930 1.944 1.00 . A A . 5 TYR C 1 1 10 1518 1 1 5 TYR CA C 6.651 -3.053 2.135 1.00 . A A . 5 TYR CA 1 1 10 1519 1 1 5 TYR CB C 5.386 -3.860 1.837 1.00 . A A . 5 TYR CB 1 1 10 1520 1 1 5 TYR CD1 C 5.470 -6.341 2.300 1.00 . A A . 5 TYR CD1 1 1 10 1521 1 1 5 TYR CD2 C 4.756 -4.893 4.054 1.00 . A A . 5 TYR CD2 1 1 10 1522 1 1 5 TYR CE1 C 5.302 -7.434 3.128 1.00 . A A . 5 TYR CE1 1 1 10 1523 1 1 5 TYR CE2 C 4.586 -5.980 4.889 1.00 . A A . 5 TYR CE2 1 1 10 1524 1 1 5 TYR CG C 5.201 -5.053 2.748 1.00 . A A . 5 TYR CG 1 1 10 1525 1 1 5 TYR CZ C 4.860 -7.249 4.421 1.00 . A A . 5 TYR CZ 1 1 10 1526 1 1 5 TYR H H 6.259 -1.891 0.411 1.00 . A A . 5 TYR H 1 1 10 1527 1 1 5 TYR HA H 6.618 -2.716 3.161 1.00 . A A . 5 TYR HA 1 1 10 1528 1 1 5 TYR HB2 H 4.524 -3.221 1.950 1.00 . A A . 5 TYR HB2 1 1 10 1529 1 1 5 TYR HB3 H 5.430 -4.222 0.821 1.00 . A A . 5 TYR HB3 1 1 10 1530 1 1 5 TYR HD1 H 5.816 -6.483 1.287 1.00 . A A . 5 TYR HD1 1 1 10 1531 1 1 5 TYR HD2 H 4.542 -3.898 4.417 1.00 . A A . 5 TYR HD2 1 1 10 1532 1 1 5 TYR HE1 H 5.516 -8.428 2.762 1.00 . A A . 5 TYR HE1 1 1 10 1533 1 1 5 TYR HE2 H 4.240 -5.836 5.902 1.00 . A A . 5 TYR HE2 1 1 10 1534 1 1 5 TYR HH H 4.333 -9.069 4.745 1.00 . A A . 5 TYR HH 1 1 10 1535 1 1 5 TYR N N 6.712 -1.874 1.279 1.00 . A A . 5 TYR N 1 1 10 1536 1 1 5 TYR O O 8.156 -4.823 2.747 1.00 . A A . 5 TYR O 1 1 10 1537 1 1 5 TYR OH O 4.691 -8.335 5.249 1.00 . A A . 5 TYR OH 1 1 10 1538 1 1 6 SER C C 10.880 -4.252 1.668 1.00 . A A . 6 SER C 1 1 10 1539 1 1 6 SER CA C 9.832 -4.435 0.574 1.00 . A A . 6 SER CA 1 1 10 1540 1 1 6 SER CB C 10.409 -4.009 -0.777 1.00 . A A . 6 SER CB 1 1 10 1541 1 1 6 SER H H 8.360 -2.944 0.271 1.00 . A A . 6 SER H 1 1 10 1542 1 1 6 SER HA H 9.557 -5.478 0.526 1.00 . A A . 6 SER HA 1 1 10 1543 1 1 6 SER HB2 H 9.602 -3.750 -1.445 1.00 . A A . 6 SER HB2 1 1 10 1544 1 1 6 SER HB3 H 11.051 -3.151 -0.638 1.00 . A A . 6 SER HB3 1 1 10 1545 1 1 6 SER HG H 10.810 -5.903 -1.083 1.00 . A A . 6 SER HG 1 1 10 1546 1 1 6 SER N N 8.628 -3.668 0.874 1.00 . A A . 6 SER N 1 1 10 1547 1 1 6 SER O O 11.807 -5.052 1.795 1.00 . A A . 6 SER O 1 1 10 1548 1 1 6 SER OG O 11.166 -5.056 -1.361 1.00 . A A . 6 SER OG 1 1 10 1549 1 1 7 ARG C C 11.804 -4.104 4.466 1.00 . A A . 7 ARG C 1 1 10 1550 1 1 7 ARG CA C 11.657 -2.902 3.538 1.00 . A A . 7 ARG CA 1 1 10 1551 1 1 7 ARG CB C 11.185 -1.684 4.334 1.00 . A A . 7 ARG CB 1 1 10 1552 1 1 7 ARG CD C 9.267 -0.703 5.628 1.00 . A A . 7 ARG CD 1 1 10 1553 1 1 7 ARG CG C 10.010 -1.976 5.253 1.00 . A A . 7 ARG CG 1 1 10 1554 1 1 7 ARG CZ C 8.167 0.247 7.611 1.00 . A A . 7 ARG CZ 1 1 10 1555 1 1 7 ARG H H 9.966 -2.591 2.304 1.00 . A A . 7 ARG H 1 1 10 1556 1 1 7 ARG HA H 12.619 -2.683 3.098 1.00 . A A . 7 ARG HA 1 1 10 1557 1 1 7 ARG HB2 H 12.004 -1.323 4.938 1.00 . A A . 7 ARG HB2 1 1 10 1558 1 1 7 ARG HB3 H 10.890 -0.910 3.642 1.00 . A A . 7 ARG HB3 1 1 10 1559 1 1 7 ARG HD2 H 9.865 0.147 5.335 1.00 . A A . 7 ARG HD2 1 1 10 1560 1 1 7 ARG HD3 H 8.327 -0.682 5.099 1.00 . A A . 7 ARG HD3 1 1 10 1561 1 1 7 ARG HE H 9.480 -1.254 7.646 1.00 . A A . 7 ARG HE 1 1 10 1562 1 1 7 ARG HG2 H 9.326 -2.642 4.747 1.00 . A A . 7 ARG HG2 1 1 10 1563 1 1 7 ARG HG3 H 10.377 -2.448 6.152 1.00 . A A . 7 ARG HG3 1 1 10 1564 1 1 7 ARG HH11 H 7.648 1.105 5.858 1.00 . A A . 7 ARG HH11 1 1 10 1565 1 1 7 ARG HH12 H 6.880 1.766 7.263 1.00 . A A . 7 ARG HH12 1 1 10 1566 1 1 7 ARG HH21 H 8.474 -0.394 9.503 1.00 . A A . 7 ARG HH21 1 1 10 1567 1 1 7 ARG HH22 H 7.351 0.913 9.336 1.00 . A A . 7 ARG HH22 1 1 10 1568 1 1 7 ARG N N 10.725 -3.192 2.455 1.00 . A A . 7 ARG N 1 1 10 1569 1 1 7 ARG NE N 9.006 -0.625 7.063 1.00 . A A . 7 ARG NE 1 1 10 1570 1 1 7 ARG NH1 N 7.512 1.111 6.848 1.00 . A A . 7 ARG NH1 1 1 10 1571 1 1 7 ARG NH2 N 7.982 0.256 8.925 1.00 . A A . 7 ARG NH2 1 1 10 1572 1 1 7 ARG O O 12.858 -4.312 5.068 1.00 . A A . 7 ARG O 1 1 10 1573 1 1 8 VAL C C 11.656 -7.159 4.859 1.00 . A A . 8 VAL C 1 1 10 1574 1 1 8 VAL CA C 10.750 -6.075 5.431 1.00 . A A . 8 VAL CA 1 1 10 1575 1 1 8 VAL CB C 9.332 -6.649 5.612 1.00 . A A . 8 VAL CB 1 1 10 1576 1 1 8 VAL CG1 C 9.380 -7.956 6.389 1.00 . A A . 8 VAL CG1 1 1 10 1577 1 1 8 VAL CG2 C 8.433 -5.638 6.308 1.00 . A A . 8 VAL CG2 1 1 10 1578 1 1 8 VAL H H 9.929 -4.675 4.072 1.00 . A A . 8 VAL H 1 1 10 1579 1 1 8 VAL HA H 11.123 -5.782 6.402 1.00 . A A . 8 VAL HA 1 1 10 1580 1 1 8 VAL HB H 8.920 -6.852 4.634 1.00 . A A . 8 VAL HB 1 1 10 1581 1 1 8 VAL HG11 H 9.933 -8.690 5.822 1.00 . A A . 8 VAL HG11 1 1 10 1582 1 1 8 VAL HG12 H 9.865 -7.792 7.339 1.00 . A A . 8 VAL HG12 1 1 10 1583 1 1 8 VAL HG13 H 8.374 -8.312 6.554 1.00 . A A . 8 VAL HG13 1 1 10 1584 1 1 8 VAL HG21 H 8.081 -4.915 5.587 1.00 . A A . 8 VAL HG21 1 1 10 1585 1 1 8 VAL HG22 H 7.588 -6.149 6.747 1.00 . A A . 8 VAL HG22 1 1 10 1586 1 1 8 VAL HG23 H 8.990 -5.133 7.083 1.00 . A A . 8 VAL HG23 1 1 10 1587 1 1 8 VAL N N 10.740 -4.893 4.577 1.00 . A A . 8 VAL N 1 1 10 1588 1 1 8 VAL O O 12.737 -7.422 5.386 1.00 . A A . 8 VAL O 1 1 10 1589 1 1 9 LYS C C 11.759 -8.827 1.620 1.00 . A A . 9 LYS C 1 1 10 1590 1 1 9 LYS CA C 11.979 -8.841 3.129 1.00 . A A . 9 LYS CA 1 1 10 1591 1 1 9 LYS CB C 11.591 -10.207 3.699 1.00 . A A . 9 LYS CB 1 1 10 1592 1 1 9 LYS CD C 9.465 -11.284 4.492 1.00 . A A . 9 LYS CD 1 1 10 1593 1 1 9 LYS CE C 7.955 -11.169 4.345 1.00 . A A . 9 LYS CE 1 1 10 1594 1 1 9 LYS CG C 10.189 -10.649 3.317 1.00 . A A . 9 LYS CG 1 1 10 1595 1 1 9 LYS H H 10.339 -7.531 3.402 1.00 . A A . 9 LYS H 1 1 10 1596 1 1 9 LYS HA H 13.024 -8.660 3.330 1.00 . A A . 9 LYS HA 1 1 10 1597 1 1 9 LYS HB2 H 12.291 -10.946 3.339 1.00 . A A . 9 LYS HB2 1 1 10 1598 1 1 9 LYS HB3 H 11.650 -10.163 4.777 1.00 . A A . 9 LYS HB3 1 1 10 1599 1 1 9 LYS HD2 H 9.731 -12.330 4.546 1.00 . A A . 9 LYS HD2 1 1 10 1600 1 1 9 LYS HD3 H 9.768 -10.787 5.402 1.00 . A A . 9 LYS HD3 1 1 10 1601 1 1 9 LYS HE2 H 7.724 -10.228 3.869 1.00 . A A . 9 LYS HE2 1 1 10 1602 1 1 9 LYS HE3 H 7.604 -11.981 3.726 1.00 . A A . 9 LYS HE3 1 1 10 1603 1 1 9 LYS HG2 H 9.628 -9.789 2.984 1.00 . A A . 9 LYS HG2 1 1 10 1604 1 1 9 LYS HG3 H 10.256 -11.370 2.514 1.00 . A A . 9 LYS HG3 1 1 10 1605 1 1 9 LYS HZ1 H 6.543 -11.979 5.653 1.00 . A A . 9 LYS HZ1 1 1 10 1606 1 1 9 LYS HZ2 H 6.799 -10.320 5.863 1.00 . A A . 9 LYS HZ2 1 1 10 1607 1 1 9 LYS HZ3 H 7.949 -11.430 6.417 1.00 . A A . 9 LYS HZ3 1 1 10 1608 1 1 9 LYS N N 11.209 -7.785 3.776 1.00 . A A . 9 LYS N 1 1 10 1609 1 1 9 LYS NZ N 7.263 -11.228 5.662 1.00 . A A . 9 LYS NZ 1 1 10 1610 1 1 9 LYS O O 10.668 -8.512 1.144 1.00 . A A . 9 LYS O 1 1 11 1611 1 1 1 THR C C 3.909 -2.985 -1.318 1.00 . A A . 1 THR C 1 1 11 1612 1 1 1 THR CA C 2.893 -2.109 -0.595 1.00 . A A . 1 THR CA 1 1 11 1613 1 1 1 THR CB C 1.778 -1.715 -1.582 1.00 . A A . 1 THR CB 1 1 11 1614 1 1 1 THR CG2 C 0.898 -2.911 -1.910 1.00 . A A . 1 THR CG2 1 1 11 1615 1 1 1 THR H1 H 3.052 -0.079 -0.018 1.00 . A A . 1 THR H1 1 1 11 1616 1 1 1 THR HA H 2.449 -2.678 0.209 1.00 . A A . 1 THR HA 1 1 11 1617 1 1 1 THR HB H 2.235 -1.361 -2.495 1.00 . A A . 1 THR HB 1 1 11 1618 1 1 1 THR HG1 H 0.420 -1.024 -0.329 1.00 . A A . 1 THR HG1 1 1 11 1619 1 1 1 THR HG21 H 1.346 -3.809 -1.510 1.00 . A A . 1 THR HG21 1 1 11 1620 1 1 1 THR HG22 H 0.800 -3.003 -2.981 1.00 . A A . 1 THR HG22 1 1 11 1621 1 1 1 THR HG23 H -0.078 -2.770 -1.470 1.00 . A A . 1 THR HG23 1 1 11 1622 1 1 1 THR N N 3.531 -0.934 -0.015 1.00 . A A . 1 THR N 1 1 11 1623 1 1 1 THR O O 4.142 -4.131 -0.933 1.00 . A A . 1 THR O 1 1 11 1624 1 1 1 THR OG1 O 0.978 -0.666 -1.023 1.00 . A A . 1 THR OG1 1 1 11 1625 1 1 2 VAL C C 6.915 -2.913 -2.619 1.00 . A A . 2 VAL C 1 1 11 1626 1 1 2 VAL CA C 5.507 -3.170 -3.145 1.00 . A A . 2 VAL CA 1 1 11 1627 1 1 2 VAL CB C 5.450 -2.785 -4.635 1.00 . A A . 2 VAL CB 1 1 11 1628 1 1 2 VAL CG1 C 5.937 -3.935 -5.504 1.00 . A A . 2 VAL CG1 1 1 11 1629 1 1 2 VAL CG2 C 4.038 -2.373 -5.025 1.00 . A A . 2 VAL CG2 1 1 11 1630 1 1 2 VAL H H 4.286 -1.521 -2.627 1.00 . A A . 2 VAL H 1 1 11 1631 1 1 2 VAL HA H 5.288 -4.225 -3.059 1.00 . A A . 2 VAL HA 1 1 11 1632 1 1 2 VAL HB H 6.105 -1.941 -4.794 1.00 . A A . 2 VAL HB 1 1 11 1633 1 1 2 VAL HG11 H 5.284 -4.043 -6.357 1.00 . A A . 2 VAL HG11 1 1 11 1634 1 1 2 VAL HG12 H 6.942 -3.731 -5.842 1.00 . A A . 2 VAL HG12 1 1 11 1635 1 1 2 VAL HG13 H 5.929 -4.849 -4.928 1.00 . A A . 2 VAL HG13 1 1 11 1636 1 1 2 VAL HG21 H 3.822 -1.399 -4.612 1.00 . A A . 2 VAL HG21 1 1 11 1637 1 1 2 VAL HG22 H 3.958 -2.333 -6.102 1.00 . A A . 2 VAL HG22 1 1 11 1638 1 1 2 VAL HG23 H 3.333 -3.094 -4.638 1.00 . A A . 2 VAL HG23 1 1 11 1639 1 1 2 VAL N N 4.514 -2.439 -2.369 1.00 . A A . 2 VAL N 1 1 11 1640 1 1 2 VAL O O 7.580 -3.823 -2.125 1.00 . A A . 2 VAL O 1 1 11 1641 1 1 3 TYR C C 8.638 -0.740 -0.842 1.00 . A A . 3 TYR C 1 1 11 1642 1 1 3 TYR CA C 8.692 -1.289 -2.265 1.00 . A A . 3 TYR CA 1 1 11 1643 1 1 3 TYR CB C 9.305 -0.248 -3.202 1.00 . A A . 3 TYR CB 1 1 11 1644 1 1 3 TYR CD1 C 9.518 -0.277 -5.718 1.00 . A A . 3 TYR CD1 1 1 11 1645 1 1 3 TYR CD2 C 10.681 -1.942 -4.471 1.00 . A A . 3 TYR CD2 1 1 11 1646 1 1 3 TYR CE1 C 10.009 -0.809 -6.895 1.00 . A A . 3 TYR CE1 1 1 11 1647 1 1 3 TYR CE2 C 11.178 -2.480 -5.643 1.00 . A A . 3 TYR CE2 1 1 11 1648 1 1 3 TYR CG C 9.845 -0.833 -4.487 1.00 . A A . 3 TYR CG 1 1 11 1649 1 1 3 TYR CZ C 10.839 -1.910 -6.852 1.00 . A A . 3 TYR CZ 1 1 11 1650 1 1 3 TYR H H 6.785 -0.985 -3.131 1.00 . A A . 3 TYR H 1 1 11 1651 1 1 3 TYR HA H 9.310 -2.175 -2.273 1.00 . A A . 3 TYR HA 1 1 11 1652 1 1 3 TYR HB2 H 8.552 0.481 -3.461 1.00 . A A . 3 TYR HB2 1 1 11 1653 1 1 3 TYR HB3 H 10.120 0.248 -2.695 1.00 . A A . 3 TYR HB3 1 1 11 1654 1 1 3 TYR HD1 H 8.868 0.586 -5.748 1.00 . A A . 3 TYR HD1 1 1 11 1655 1 1 3 TYR HD2 H 10.945 -2.387 -3.522 1.00 . A A . 3 TYR HD2 1 1 11 1656 1 1 3 TYR HE1 H 9.744 -0.362 -7.842 1.00 . A A . 3 TYR HE1 1 1 11 1657 1 1 3 TYR HE2 H 11.827 -3.342 -5.610 1.00 . A A . 3 TYR HE2 1 1 11 1658 1 1 3 TYR HH H 11.123 -1.855 -8.753 1.00 . A A . 3 TYR HH 1 1 11 1659 1 1 3 TYR N N 7.362 -1.667 -2.728 1.00 . A A . 3 TYR N 1 1 11 1660 1 1 3 TYR O O 9.579 -0.903 -0.065 1.00 . A A . 3 TYR O 1 1 11 1661 1 1 3 TYR OH O 11.330 -2.443 -8.022 1.00 . A A . 3 TYR OH 1 1 11 1662 1 1 4 VAL C C 7.178 -0.610 1.871 1.00 . A A . 4 VAL C 1 1 11 1663 1 1 4 VAL CA C 7.348 0.482 0.821 1.00 . A A . 4 VAL CA 1 1 11 1664 1 1 4 VAL CB C 6.127 1.420 0.868 1.00 . A A . 4 VAL CB 1 1 11 1665 1 1 4 VAL CG1 C 5.874 1.897 2.290 1.00 . A A . 4 VAL CG1 1 1 11 1666 1 1 4 VAL CG2 C 6.324 2.599 -0.072 1.00 . A A . 4 VAL CG2 1 1 11 1667 1 1 4 VAL H H 6.813 0.007 -1.171 1.00 . A A . 4 VAL H 1 1 11 1668 1 1 4 VAL HA H 8.229 1.061 1.058 1.00 . A A . 4 VAL HA 1 1 11 1669 1 1 4 VAL HB H 5.260 0.865 0.539 1.00 . A A . 4 VAL HB 1 1 11 1670 1 1 4 VAL HG11 H 6.763 2.377 2.671 1.00 . A A . 4 VAL HG11 1 1 11 1671 1 1 4 VAL HG12 H 5.054 2.600 2.294 1.00 . A A . 4 VAL HG12 1 1 11 1672 1 1 4 VAL HG13 H 5.627 1.051 2.915 1.00 . A A . 4 VAL HG13 1 1 11 1673 1 1 4 VAL HG21 H 5.468 3.254 -0.011 1.00 . A A . 4 VAL HG21 1 1 11 1674 1 1 4 VAL HG22 H 7.214 3.142 0.213 1.00 . A A . 4 VAL HG22 1 1 11 1675 1 1 4 VAL HG23 H 6.432 2.239 -1.084 1.00 . A A . 4 VAL HG23 1 1 11 1676 1 1 4 VAL N N 7.528 -0.090 -0.508 1.00 . A A . 4 VAL N 1 1 11 1677 1 1 4 VAL O O 7.567 -0.440 3.027 1.00 . A A . 4 VAL O 1 1 11 1678 1 1 5 TYR C C 7.532 -3.838 2.311 1.00 . A A . 5 TYR C 1 1 11 1679 1 1 5 TYR CA C 6.370 -2.851 2.368 1.00 . A A . 5 TYR CA 1 1 11 1680 1 1 5 TYR CB C 5.063 -3.563 2.017 1.00 . A A . 5 TYR CB 1 1 11 1681 1 1 5 TYR CD1 C 4.656 -5.460 3.634 1.00 . A A . 5 TYR CD1 1 1 11 1682 1 1 5 TYR CD2 C 3.410 -3.449 3.923 1.00 . A A . 5 TYR CD2 1 1 11 1683 1 1 5 TYR CE1 C 4.019 -6.017 4.726 1.00 . A A . 5 TYR CE1 1 1 11 1684 1 1 5 TYR CE2 C 2.769 -3.997 5.017 1.00 . A A . 5 TYR CE2 1 1 11 1685 1 1 5 TYR CG C 4.363 -4.168 3.214 1.00 . A A . 5 TYR CG 1 1 11 1686 1 1 5 TYR CZ C 3.077 -5.282 5.415 1.00 . A A . 5 TYR CZ 1 1 11 1687 1 1 5 TYR H H 6.305 -1.806 0.528 1.00 . A A . 5 TYR H 1 1 11 1688 1 1 5 TYR HA H 6.296 -2.457 3.371 1.00 . A A . 5 TYR HA 1 1 11 1689 1 1 5 TYR HB2 H 4.386 -2.857 1.561 1.00 . A A . 5 TYR HB2 1 1 11 1690 1 1 5 TYR HB3 H 5.271 -4.359 1.317 1.00 . A A . 5 TYR HB3 1 1 11 1691 1 1 5 TYR HD1 H 5.394 -6.033 3.093 1.00 . A A . 5 TYR HD1 1 1 11 1692 1 1 5 TYR HD2 H 3.171 -2.443 3.609 1.00 . A A . 5 TYR HD2 1 1 11 1693 1 1 5 TYR HE1 H 4.260 -7.023 5.038 1.00 . A A . 5 TYR HE1 1 1 11 1694 1 1 5 TYR HE2 H 2.031 -3.422 5.556 1.00 . A A . 5 TYR HE2 1 1 11 1695 1 1 5 TYR HH H 1.524 -6.014 6.280 1.00 . A A . 5 TYR HH 1 1 11 1696 1 1 5 TYR N N 6.594 -1.730 1.462 1.00 . A A . 5 TYR N 1 1 11 1697 1 1 5 TYR O O 7.667 -4.705 3.174 1.00 . A A . 5 TYR O 1 1 11 1698 1 1 5 TYR OH O 2.440 -5.832 6.503 1.00 . A A . 5 TYR OH 1 1 11 1699 1 1 6 SER C C 10.590 -4.284 2.156 1.00 . A A . 6 SER C 1 1 11 1700 1 1 6 SER CA C 9.517 -4.580 1.113 1.00 . A A . 6 SER CA 1 1 11 1701 1 1 6 SER CB C 10.099 -4.424 -0.293 1.00 . A A . 6 SER CB 1 1 11 1702 1 1 6 SER H H 8.206 -2.989 0.631 1.00 . A A . 6 SER H 1 1 11 1703 1 1 6 SER HA H 9.177 -5.597 1.242 1.00 . A A . 6 SER HA 1 1 11 1704 1 1 6 SER HB2 H 9.809 -3.465 -0.695 1.00 . A A . 6 SER HB2 1 1 11 1705 1 1 6 SER HB3 H 11.176 -4.483 -0.242 1.00 . A A . 6 SER HB3 1 1 11 1706 1 1 6 SER HG H 10.267 -6.156 -1.192 1.00 . A A . 6 SER HG 1 1 11 1707 1 1 6 SER N N 8.368 -3.699 1.287 1.00 . A A . 6 SER N 1 1 11 1708 1 1 6 SER O O 11.468 -5.109 2.410 1.00 . A A . 6 SER O 1 1 11 1709 1 1 6 SER OG O 9.626 -5.443 -1.157 1.00 . A A . 6 SER OG 1 1 11 1710 1 1 7 ARG C C 11.600 -3.755 4.862 1.00 . A A . 7 ARG C 1 1 11 1711 1 1 7 ARG CA C 11.478 -2.695 3.771 1.00 . A A . 7 ARG CA 1 1 11 1712 1 1 7 ARG CB C 11.066 -1.357 4.390 1.00 . A A . 7 ARG CB 1 1 11 1713 1 1 7 ARG CD C 9.274 -0.108 5.632 1.00 . A A . 7 ARG CD 1 1 11 1714 1 1 7 ARG CG C 9.900 -1.467 5.358 1.00 . A A . 7 ARG CG 1 1 11 1715 1 1 7 ARG CZ C 9.645 0.197 8.043 1.00 . A A . 7 ARG CZ 1 1 11 1716 1 1 7 ARG H H 9.790 -2.487 2.511 1.00 . A A . 7 ARG H 1 1 11 1717 1 1 7 ARG HA H 12.437 -2.579 3.289 1.00 . A A . 7 ARG HA 1 1 11 1718 1 1 7 ARG HB2 H 11.911 -0.945 4.923 1.00 . A A . 7 ARG HB2 1 1 11 1719 1 1 7 ARG HB3 H 10.786 -0.680 3.597 1.00 . A A . 7 ARG HB3 1 1 11 1720 1 1 7 ARG HD2 H 9.406 0.516 4.761 1.00 . A A . 7 ARG HD2 1 1 11 1721 1 1 7 ARG HD3 H 8.220 -0.244 5.821 1.00 . A A . 7 ARG HD3 1 1 11 1722 1 1 7 ARG HE H 10.494 1.296 6.611 1.00 . A A . 7 ARG HE 1 1 11 1723 1 1 7 ARG HG2 H 9.150 -2.117 4.932 1.00 . A A . 7 ARG HG2 1 1 11 1724 1 1 7 ARG HG3 H 10.255 -1.884 6.288 1.00 . A A . 7 ARG HG3 1 1 11 1725 1 1 7 ARG HH11 H 8.375 -1.298 7.561 1.00 . A A . 7 ARG HH11 1 1 11 1726 1 1 7 ARG HH12 H 8.645 -1.072 9.257 1.00 . A A . 7 ARG HH12 1 1 11 1727 1 1 7 ARG HH21 H 10.858 1.603 8.842 1.00 . A A . 7 ARG HH21 1 1 11 1728 1 1 7 ARG HH22 H 10.057 0.578 9.985 1.00 . A A . 7 ARG HH22 1 1 11 1729 1 1 7 ARG N N 10.513 -3.101 2.757 1.00 . A A . 7 ARG N 1 1 11 1730 1 1 7 ARG NE N 9.881 0.552 6.785 1.00 . A A . 7 ARG NE 1 1 11 1731 1 1 7 ARG NH1 N 8.820 -0.806 8.309 1.00 . A A . 7 ARG NH1 1 1 11 1732 1 1 7 ARG NH2 N 10.235 0.846 9.039 1.00 . A A . 7 ARG NH2 1 1 11 1733 1 1 7 ARG O O 12.657 -3.915 5.472 1.00 . A A . 7 ARG O 1 1 11 1734 1 1 8 VAL C C 11.342 -6.716 5.692 1.00 . A A . 8 VAL C 1 1 11 1735 1 1 8 VAL CA C 10.495 -5.523 6.118 1.00 . A A . 8 VAL CA 1 1 11 1736 1 1 8 VAL CB C 9.060 -6.003 6.408 1.00 . A A . 8 VAL CB 1 1 11 1737 1 1 8 VAL CG1 C 9.076 -7.186 7.365 1.00 . A A . 8 VAL CG1 1 1 11 1738 1 1 8 VAL CG2 C 8.220 -4.865 6.968 1.00 . A A . 8 VAL CG2 1 1 11 1739 1 1 8 VAL H H 9.697 -4.304 4.583 1.00 . A A . 8 VAL H 1 1 11 1740 1 1 8 VAL HA H 10.904 -5.110 7.029 1.00 . A A . 8 VAL HA 1 1 11 1741 1 1 8 VAL HB H 8.616 -6.327 5.478 1.00 . A A . 8 VAL HB 1 1 11 1742 1 1 8 VAL HG11 H 9.583 -8.018 6.899 1.00 . A A . 8 VAL HG11 1 1 11 1743 1 1 8 VAL HG12 H 9.592 -6.909 8.272 1.00 . A A . 8 VAL HG12 1 1 11 1744 1 1 8 VAL HG13 H 8.061 -7.471 7.601 1.00 . A A . 8 VAL HG13 1 1 11 1745 1 1 8 VAL HG21 H 7.875 -4.241 6.157 1.00 . A A . 8 VAL HG21 1 1 11 1746 1 1 8 VAL HG22 H 7.370 -5.270 7.497 1.00 . A A . 8 VAL HG22 1 1 11 1747 1 1 8 VAL HG23 H 8.819 -4.276 7.647 1.00 . A A . 8 VAL HG23 1 1 11 1748 1 1 8 VAL N N 10.510 -4.477 5.102 1.00 . A A . 8 VAL N 1 1 11 1749 1 1 8 VAL O O 12.425 -6.948 6.230 1.00 . A A . 8 VAL O 1 1 11 1750 1 1 9 LYS C C 12.939 -8.260 3.708 1.00 . A A . 9 LYS C 1 1 11 1751 1 1 9 LYS CA C 11.553 -8.642 4.218 1.00 . A A . 9 LYS CA 1 1 11 1752 1 1 9 LYS CB C 10.752 -9.310 3.098 1.00 . A A . 9 LYS CB 1 1 11 1753 1 1 9 LYS CD C 8.626 -10.466 2.425 1.00 . A A . 9 LYS CD 1 1 11 1754 1 1 9 LYS CE C 8.939 -11.896 2.012 1.00 . A A . 9 LYS CE 1 1 11 1755 1 1 9 LYS CG C 9.499 -10.017 3.585 1.00 . A A . 9 LYS CG 1 1 11 1756 1 1 9 LYS H H 9.974 -7.237 4.330 1.00 . A A . 9 LYS H 1 1 11 1757 1 1 9 LYS HA H 11.663 -9.339 5.035 1.00 . A A . 9 LYS HA 1 1 11 1758 1 1 9 LYS HB2 H 10.459 -8.556 2.382 1.00 . A A . 9 LYS HB2 1 1 11 1759 1 1 9 LYS HB3 H 11.381 -10.037 2.605 1.00 . A A . 9 LYS HB3 1 1 11 1760 1 1 9 LYS HD2 H 7.589 -10.409 2.723 1.00 . A A . 9 LYS HD2 1 1 11 1761 1 1 9 LYS HD3 H 8.797 -9.811 1.582 1.00 . A A . 9 LYS HD3 1 1 11 1762 1 1 9 LYS HE2 H 9.899 -12.172 2.420 1.00 . A A . 9 LYS HE2 1 1 11 1763 1 1 9 LYS HE3 H 8.177 -12.548 2.413 1.00 . A A . 9 LYS HE3 1 1 11 1764 1 1 9 LYS HG2 H 9.786 -10.884 4.161 1.00 . A A . 9 LYS HG2 1 1 11 1765 1 1 9 LYS HG3 H 8.933 -9.339 4.208 1.00 . A A . 9 LYS HG3 1 1 11 1766 1 1 9 LYS HZ1 H 9.704 -12.747 0.265 1.00 . A A . 9 LYS HZ1 1 1 11 1767 1 1 9 LYS HZ2 H 9.210 -11.139 0.084 1.00 . A A . 9 LYS HZ2 1 1 11 1768 1 1 9 LYS HZ3 H 8.056 -12.373 0.180 1.00 . A A . 9 LYS HZ3 1 1 11 1769 1 1 9 LYS N N 10.842 -7.473 4.720 1.00 . A A . 9 LYS N 1 1 11 1770 1 1 9 LYS NZ N 8.980 -12.049 0.532 1.00 . A A . 9 LYS NZ 1 1 11 1771 1 1 9 LYS O O 13.181 -8.234 2.501 1.00 . A A . 9 LYS O 1 1 12 1772 1 1 1 THR C C 3.122 -1.442 -1.171 1.00 . A A . 1 THR C 1 1 12 1773 1 1 1 THR CA C 2.499 -0.054 -1.094 1.00 . A A . 1 THR CA 1 1 12 1774 1 1 1 THR CB C 1.493 0.110 -2.248 1.00 . A A . 1 THR CB 1 1 12 1775 1 1 1 THR CG2 C 0.317 -0.841 -2.082 1.00 . A A . 1 THR CG2 1 1 12 1776 1 1 1 THR H1 H 3.315 1.846 -1.547 1.00 . A A . 1 THR H1 1 1 12 1777 1 1 1 THR HA H 1.962 0.038 -0.161 1.00 . A A . 1 THR HA 1 1 12 1778 1 1 1 THR HB H 1.994 -0.120 -3.178 1.00 . A A . 1 THR HB 1 1 12 1779 1 1 1 THR HG1 H 0.433 1.620 -1.551 1.00 . A A . 1 THR HG1 1 1 12 1780 1 1 1 THR HG21 H 0.272 -1.509 -2.929 1.00 . A A . 1 THR HG21 1 1 12 1781 1 1 1 THR HG22 H -0.599 -0.274 -2.020 1.00 . A A . 1 THR HG22 1 1 12 1782 1 1 1 THR HG23 H 0.446 -1.416 -1.177 1.00 . A A . 1 THR HG23 1 1 12 1783 1 1 1 THR N N 3.521 0.985 -1.128 1.00 . A A . 1 THR N 1 1 12 1784 1 1 1 THR O O 3.087 -2.205 -0.205 1.00 . A A . 1 THR O 1 1 12 1785 1 1 1 THR OG1 O 1.017 1.460 -2.296 1.00 . A A . 1 THR OG1 1 1 12 1786 1 1 2 VAL C C 5.816 -3.004 -2.206 1.00 . A A . 2 VAL C 1 1 12 1787 1 1 2 VAL CA C 4.328 -3.063 -2.530 1.00 . A A . 2 VAL CA 1 1 12 1788 1 1 2 VAL CB C 4.148 -3.554 -3.979 1.00 . A A . 2 VAL CB 1 1 12 1789 1 1 2 VAL CG1 C 4.174 -5.074 -4.034 1.00 . A A . 2 VAL CG1 1 1 12 1790 1 1 2 VAL CG2 C 2.855 -3.013 -4.568 1.00 . A A . 2 VAL CG2 1 1 12 1791 1 1 2 VAL H H 3.690 -1.115 -3.060 1.00 . A A . 2 VAL H 1 1 12 1792 1 1 2 VAL HA H 3.853 -3.773 -1.869 1.00 . A A . 2 VAL HA 1 1 12 1793 1 1 2 VAL HB H 4.972 -3.181 -4.569 1.00 . A A . 2 VAL HB 1 1 12 1794 1 1 2 VAL HG11 H 5.093 -5.402 -4.496 1.00 . A A . 2 VAL HG11 1 1 12 1795 1 1 2 VAL HG12 H 4.111 -5.472 -3.032 1.00 . A A . 2 VAL HG12 1 1 12 1796 1 1 2 VAL HG13 H 3.334 -5.427 -4.615 1.00 . A A . 2 VAL HG13 1 1 12 1797 1 1 2 VAL HG21 H 2.626 -3.544 -5.480 1.00 . A A . 2 VAL HG21 1 1 12 1798 1 1 2 VAL HG22 H 2.050 -3.150 -3.860 1.00 . A A . 2 VAL HG22 1 1 12 1799 1 1 2 VAL HG23 H 2.969 -1.961 -4.783 1.00 . A A . 2 VAL HG23 1 1 12 1800 1 1 2 VAL N N 3.694 -1.765 -2.327 1.00 . A A . 2 VAL N 1 1 12 1801 1 1 2 VAL O O 6.284 -3.650 -1.268 1.00 . A A . 2 VAL O 1 1 12 1802 1 1 3 TYR C C 8.294 -1.508 -1.404 1.00 . A A . 3 TYR C 1 1 12 1803 1 1 3 TYR CA C 7.993 -2.083 -2.785 1.00 . A A . 3 TYR CA 1 1 12 1804 1 1 3 TYR CB C 8.595 -1.184 -3.866 1.00 . A A . 3 TYR CB 1 1 12 1805 1 1 3 TYR CD1 C 10.873 -2.244 -3.613 1.00 . A A . 3 TYR CD1 1 1 12 1806 1 1 3 TYR CD2 C 10.761 0.110 -3.970 1.00 . A A . 3 TYR CD2 1 1 12 1807 1 1 3 TYR CE1 C 12.252 -2.177 -3.566 1.00 . A A . 3 TYR CE1 1 1 12 1808 1 1 3 TYR CE2 C 12.140 0.187 -3.926 1.00 . A A . 3 TYR CE2 1 1 12 1809 1 1 3 TYR CG C 10.104 -1.105 -3.816 1.00 . A A . 3 TYR CG 1 1 12 1810 1 1 3 TYR CZ C 12.881 -0.959 -3.724 1.00 . A A . 3 TYR CZ 1 1 12 1811 1 1 3 TYR H H 6.126 -1.735 -3.719 1.00 . A A . 3 TYR H 1 1 12 1812 1 1 3 TYR HA H 8.437 -3.065 -2.858 1.00 . A A . 3 TYR HA 1 1 12 1813 1 1 3 TYR HB2 H 8.316 -1.563 -4.837 1.00 . A A . 3 TYR HB2 1 1 12 1814 1 1 3 TYR HB3 H 8.206 -0.183 -3.750 1.00 . A A . 3 TYR HB3 1 1 12 1815 1 1 3 TYR HD1 H 10.378 -3.197 -3.490 1.00 . A A . 3 TYR HD1 1 1 12 1816 1 1 3 TYR HD2 H 10.178 1.005 -4.128 1.00 . A A . 3 TYR HD2 1 1 12 1817 1 1 3 TYR HE1 H 12.833 -3.074 -3.408 1.00 . A A . 3 TYR HE1 1 1 12 1818 1 1 3 TYR HE2 H 12.633 1.140 -4.049 1.00 . A A . 3 TYR HE2 1 1 12 1819 1 1 3 TYR HH H 14.580 -1.441 -2.965 1.00 . A A . 3 TYR HH 1 1 12 1820 1 1 3 TYR N N 6.556 -2.225 -2.987 1.00 . A A . 3 TYR N 1 1 12 1821 1 1 3 TYR O O 9.323 -1.815 -0.801 1.00 . A A . 3 TYR O 1 1 12 1822 1 1 3 TYR OH O 14.254 -0.887 -3.678 1.00 . A A . 3 TYR OH 1 1 12 1823 1 1 4 VAL C C 7.408 -1.083 1.518 1.00 . A A . 4 VAL C 1 1 12 1824 1 1 4 VAL CA C 7.554 -0.054 0.403 1.00 . A A . 4 VAL CA 1 1 12 1825 1 1 4 VAL CB C 6.531 1.076 0.625 1.00 . A A . 4 VAL CB 1 1 12 1826 1 1 4 VAL CG1 C 6.629 1.614 2.044 1.00 . A A . 4 VAL CG1 1 1 12 1827 1 1 4 VAL CG2 C 6.738 2.189 -0.392 1.00 . A A . 4 VAL CG2 1 1 12 1828 1 1 4 VAL H H 6.588 -0.465 -1.435 1.00 . A A . 4 VAL H 1 1 12 1829 1 1 4 VAL HA H 8.546 0.373 0.448 1.00 . A A . 4 VAL HA 1 1 12 1830 1 1 4 VAL HB H 5.540 0.669 0.485 1.00 . A A . 4 VAL HB 1 1 12 1831 1 1 4 VAL HG11 H 7.638 1.947 2.234 1.00 . A A . 4 VAL HG11 1 1 12 1832 1 1 4 VAL HG12 H 5.946 2.443 2.163 1.00 . A A . 4 VAL HG12 1 1 12 1833 1 1 4 VAL HG13 H 6.371 0.832 2.743 1.00 . A A . 4 VAL HG13 1 1 12 1834 1 1 4 VAL HG21 H 7.687 2.050 -0.887 1.00 . A A . 4 VAL HG21 1 1 12 1835 1 1 4 VAL HG22 H 5.943 2.162 -1.123 1.00 . A A . 4 VAL HG22 1 1 12 1836 1 1 4 VAL HG23 H 6.730 3.143 0.113 1.00 . A A . 4 VAL HG23 1 1 12 1837 1 1 4 VAL N N 7.388 -0.672 -0.908 1.00 . A A . 4 VAL N 1 1 12 1838 1 1 4 VAL O O 8.031 -0.964 2.573 1.00 . A A . 4 VAL O 1 1 12 1839 1 1 5 TYR C C 7.470 -4.182 2.223 1.00 . A A . 5 TYR C 1 1 12 1840 1 1 5 TYR CA C 6.352 -3.145 2.262 1.00 . A A . 5 TYR CA 1 1 12 1841 1 1 5 TYR CB C 5.003 -3.823 2.010 1.00 . A A . 5 TYR CB 1 1 12 1842 1 1 5 TYR CD1 C 4.456 -6.211 2.622 1.00 . A A . 5 TYR CD1 1 1 12 1843 1 1 5 TYR CD2 C 4.562 -4.597 4.373 1.00 . A A . 5 TYR CD2 1 1 12 1844 1 1 5 TYR CE1 C 4.148 -7.195 3.541 1.00 . A A . 5 TYR CE1 1 1 12 1845 1 1 5 TYR CE2 C 4.256 -5.575 5.299 1.00 . A A . 5 TYR CE2 1 1 12 1846 1 1 5 TYR CG C 4.668 -4.897 3.020 1.00 . A A . 5 TYR CG 1 1 12 1847 1 1 5 TYR CZ C 4.050 -6.873 4.879 1.00 . A A . 5 TYR CZ 1 1 12 1848 1 1 5 TYR H H 6.113 -2.136 0.417 1.00 . A A . 5 TYR H 1 1 12 1849 1 1 5 TYR HA H 6.336 -2.686 3.239 1.00 . A A . 5 TYR HA 1 1 12 1850 1 1 5 TYR HB2 H 4.222 -3.079 2.046 1.00 . A A . 5 TYR HB2 1 1 12 1851 1 1 5 TYR HB3 H 5.015 -4.280 1.031 1.00 . A A . 5 TYR HB3 1 1 12 1852 1 1 5 TYR HD1 H 4.533 -6.460 1.574 1.00 . A A . 5 TYR HD1 1 1 12 1853 1 1 5 TYR HD2 H 4.723 -3.580 4.699 1.00 . A A . 5 TYR HD2 1 1 12 1854 1 1 5 TYR HE1 H 3.987 -8.211 3.212 1.00 . A A . 5 TYR HE1 1 1 12 1855 1 1 5 TYR HE2 H 4.178 -5.323 6.347 1.00 . A A . 5 TYR HE2 1 1 12 1856 1 1 5 TYR HH H 4.133 -8.682 5.521 1.00 . A A . 5 TYR HH 1 1 12 1857 1 1 5 TYR N N 6.581 -2.095 1.277 1.00 . A A . 5 TYR N 1 1 12 1858 1 1 5 TYR O O 7.607 -4.998 3.135 1.00 . A A . 5 TYR O 1 1 12 1859 1 1 5 TYR OH O 3.744 -7.850 5.798 1.00 . A A . 5 TYR OH 1 1 12 1860 1 1 6 SER C C 10.510 -4.750 1.960 1.00 . A A . 6 SER C 1 1 12 1861 1 1 6 SER CA C 9.372 -5.082 0.999 1.00 . A A . 6 SER CA 1 1 12 1862 1 1 6 SER CB C 9.883 -5.058 -0.442 1.00 . A A . 6 SER CB 1 1 12 1863 1 1 6 SER H H 8.106 -3.470 0.467 1.00 . A A . 6 SER H 1 1 12 1864 1 1 6 SER HA H 9.003 -6.071 1.225 1.00 . A A . 6 SER HA 1 1 12 1865 1 1 6 SER HB2 H 10.192 -4.056 -0.696 1.00 . A A . 6 SER HB2 1 1 12 1866 1 1 6 SER HB3 H 10.725 -5.729 -0.534 1.00 . A A . 6 SER HB3 1 1 12 1867 1 1 6 SER HG H 9.278 -5.768 -2.165 1.00 . A A . 6 SER HG 1 1 12 1868 1 1 6 SER N N 8.267 -4.144 1.160 1.00 . A A . 6 SER N 1 1 12 1869 1 1 6 SER O O 11.370 -5.588 2.234 1.00 . A A . 6 SER O 1 1 12 1870 1 1 6 SER OG O 8.873 -5.467 -1.348 1.00 . A A . 6 SER OG 1 1 12 1871 1 1 7 ARG C C 11.576 -3.966 4.636 1.00 . A A . 7 ARG C 1 1 12 1872 1 1 7 ARG CA C 11.541 -3.077 3.396 1.00 . A A . 7 ARG CA 1 1 12 1873 1 1 7 ARG CB C 11.298 -1.623 3.804 1.00 . A A . 7 ARG CB 1 1 12 1874 1 1 7 ARG CD C 10.654 -1.450 6.227 1.00 . A A . 7 ARG CD 1 1 12 1875 1 1 7 ARG CG C 10.155 -1.450 4.791 1.00 . A A . 7 ARG CG 1 1 12 1876 1 1 7 ARG CZ C 9.680 0.601 7.170 1.00 . A A . 7 ARG CZ 1 1 12 1877 1 1 7 ARG H H 9.797 -2.899 2.211 1.00 . A A . 7 ARG H 1 1 12 1878 1 1 7 ARG HA H 12.493 -3.146 2.891 1.00 . A A . 7 ARG HA 1 1 12 1879 1 1 7 ARG HB2 H 12.198 -1.234 4.258 1.00 . A A . 7 ARG HB2 1 1 12 1880 1 1 7 ARG HB3 H 11.072 -1.047 2.920 1.00 . A A . 7 ARG HB3 1 1 12 1881 1 1 7 ARG HD2 H 10.735 -2.472 6.567 1.00 . A A . 7 ARG HD2 1 1 12 1882 1 1 7 ARG HD3 H 11.627 -0.983 6.255 1.00 . A A . 7 ARG HD3 1 1 12 1883 1 1 7 ARG HE H 9.176 -1.252 7.709 1.00 . A A . 7 ARG HE 1 1 12 1884 1 1 7 ARG HG2 H 9.660 -0.511 4.593 1.00 . A A . 7 ARG HG2 1 1 12 1885 1 1 7 ARG HG3 H 9.455 -2.263 4.662 1.00 . A A . 7 ARG HG3 1 1 12 1886 1 1 7 ARG HH11 H 11.086 0.902 5.751 1.00 . A A . 7 ARG HH11 1 1 12 1887 1 1 7 ARG HH12 H 10.392 2.340 6.424 1.00 . A A . 7 ARG HH12 1 1 12 1888 1 1 7 ARG HH21 H 8.254 0.633 8.602 1.00 . A A . 7 ARG HH21 1 1 12 1889 1 1 7 ARG HH22 H 8.782 2.185 8.047 1.00 . A A . 7 ARG HH22 1 1 12 1890 1 1 7 ARG N N 10.509 -3.522 2.467 1.00 . A A . 7 ARG N 1 1 12 1891 1 1 7 ARG NE N 9.754 -0.724 7.119 1.00 . A A . 7 ARG NE 1 1 12 1892 1 1 7 ARG NH1 N 10.450 1.342 6.385 1.00 . A A . 7 ARG NH1 1 1 12 1893 1 1 7 ARG NH2 N 8.836 1.188 8.009 1.00 . A A . 7 ARG NH2 1 1 12 1894 1 1 7 ARG O O 12.626 -4.150 5.251 1.00 . A A . 7 ARG O 1 1 12 1895 1 1 8 VAL C C 11.028 -6.711 5.922 1.00 . A A . 8 VAL C 1 1 12 1896 1 1 8 VAL CA C 10.318 -5.384 6.163 1.00 . A A . 8 VAL CA 1 1 12 1897 1 1 8 VAL CB C 8.848 -5.660 6.531 1.00 . A A . 8 VAL CB 1 1 12 1898 1 1 8 VAL CG1 C 8.761 -6.673 7.662 1.00 . A A . 8 VAL CG1 1 1 12 1899 1 1 8 VAL CG2 C 8.141 -4.366 6.907 1.00 . A A . 8 VAL CG2 1 1 12 1900 1 1 8 VAL H H 9.617 -4.330 4.467 1.00 . A A . 8 VAL H 1 1 12 1901 1 1 8 VAL HA H 10.787 -4.882 6.997 1.00 . A A . 8 VAL HA 1 1 12 1902 1 1 8 VAL HB H 8.354 -6.076 5.665 1.00 . A A . 8 VAL HB 1 1 12 1903 1 1 8 VAL HG11 H 9.322 -6.313 8.511 1.00 . A A . 8 VAL HG11 1 1 12 1904 1 1 8 VAL HG12 H 7.727 -6.811 7.943 1.00 . A A . 8 VAL HG12 1 1 12 1905 1 1 8 VAL HG13 H 9.173 -7.616 7.333 1.00 . A A . 8 VAL HG13 1 1 12 1906 1 1 8 VAL HG21 H 8.798 -3.762 7.514 1.00 . A A . 8 VAL HG21 1 1 12 1907 1 1 8 VAL HG22 H 7.880 -3.824 6.010 1.00 . A A . 8 VAL HG22 1 1 12 1908 1 1 8 VAL HG23 H 7.244 -4.594 7.463 1.00 . A A . 8 VAL HG23 1 1 12 1909 1 1 8 VAL N N 10.420 -4.514 4.997 1.00 . A A . 8 VAL N 1 1 12 1910 1 1 8 VAL O O 12.092 -6.970 6.485 1.00 . A A . 8 VAL O 1 1 12 1911 1 1 9 LYS C C 12.283 -8.697 3.943 1.00 . A A . 9 LYS C 1 1 12 1912 1 1 9 LYS CA C 11.007 -8.852 4.764 1.00 . A A . 9 LYS CA 1 1 12 1913 1 1 9 LYS CB C 9.995 -9.706 3.996 1.00 . A A . 9 LYS CB 1 1 12 1914 1 1 9 LYS CD C 8.535 -9.935 1.965 1.00 . A A . 9 LYS CD 1 1 12 1915 1 1 9 LYS CE C 9.023 -11.104 1.124 1.00 . A A . 9 LYS CE 1 1 12 1916 1 1 9 LYS CG C 9.693 -9.185 2.602 1.00 . A A . 9 LYS CG 1 1 12 1917 1 1 9 LYS H H 9.585 -7.288 4.665 1.00 . A A . 9 LYS H 1 1 12 1918 1 1 9 LYS HA H 11.249 -9.344 5.694 1.00 . A A . 9 LYS HA 1 1 12 1919 1 1 9 LYS HB2 H 10.384 -10.710 3.907 1.00 . A A . 9 LYS HB2 1 1 12 1920 1 1 9 LYS HB3 H 9.070 -9.736 4.555 1.00 . A A . 9 LYS HB3 1 1 12 1921 1 1 9 LYS HD2 H 7.889 -10.312 2.744 1.00 . A A . 9 LYS HD2 1 1 12 1922 1 1 9 LYS HD3 H 7.981 -9.254 1.334 1.00 . A A . 9 LYS HD3 1 1 12 1923 1 1 9 LYS HE2 H 10.031 -11.350 1.423 1.00 . A A . 9 LYS HE2 1 1 12 1924 1 1 9 LYS HE3 H 8.378 -11.952 1.301 1.00 . A A . 9 LYS HE3 1 1 12 1925 1 1 9 LYS HG2 H 9.438 -8.138 2.666 1.00 . A A . 9 LYS HG2 1 1 12 1926 1 1 9 LYS HG3 H 10.572 -9.306 1.984 1.00 . A A . 9 LYS HG3 1 1 12 1927 1 1 9 LYS HZ1 H 8.686 -9.807 -0.478 1.00 . A A . 9 LYS HZ1 1 1 12 1928 1 1 9 LYS HZ2 H 8.375 -11.431 -0.835 1.00 . A A . 9 LYS HZ2 1 1 12 1929 1 1 9 LYS HZ3 H 9.971 -10.880 -0.724 1.00 . A A . 9 LYS HZ3 1 1 12 1930 1 1 9 LYS N N 10.432 -7.551 5.082 1.00 . A A . 9 LYS N 1 1 12 1931 1 1 9 LYS NZ N 9.014 -10.783 -0.330 1.00 . A A . 9 LYS NZ 1 1 12 1932 1 1 9 LYS O O 13.390 -8.840 4.464 1.00 . A A . 9 LYS O 1 1 13 1933 1 1 1 THR C C 3.029 -1.596 -0.886 1.00 . A A . 1 THR C 1 1 13 1934 1 1 1 THR CA C 2.387 -0.227 -0.691 1.00 . A A . 1 THR CA 1 1 13 1935 1 1 1 THR CB C 3.409 0.863 -1.066 1.00 . A A . 1 THR CB 1 1 13 1936 1 1 1 THR CG2 C 3.140 1.399 -2.464 1.00 . A A . 1 THR CG2 1 1 13 1937 1 1 1 THR H1 H 2.556 0.103 1.393 1.00 . A A . 1 THR H1 1 1 13 1938 1 1 1 THR HA H 1.539 -0.140 -1.355 1.00 . A A . 1 THR HA 1 1 13 1939 1 1 1 THR HB H 4.398 0.430 -1.046 1.00 . A A . 1 THR HB 1 1 13 1940 1 1 1 THR HG1 H 3.636 2.750 -0.540 1.00 . A A . 1 THR HG1 1 1 13 1941 1 1 1 THR HG21 H 2.590 2.326 -2.395 1.00 . A A . 1 THR HG21 1 1 13 1942 1 1 1 THR HG22 H 2.561 0.677 -3.021 1.00 . A A . 1 THR HG22 1 1 13 1943 1 1 1 THR HG23 H 4.078 1.574 -2.968 1.00 . A A . 1 THR HG23 1 1 13 1944 1 1 1 THR N N 1.909 -0.060 0.675 1.00 . A A . 1 THR N 1 1 13 1945 1 1 1 THR O O 3.012 -2.435 0.015 1.00 . A A . 1 THR O 1 1 13 1946 1 1 1 THR OG1 O 3.349 1.936 -0.119 1.00 . A A . 1 THR OG1 1 1 13 1947 1 1 2 VAL C C 5.739 -3.021 -2.095 1.00 . A A . 2 VAL C 1 1 13 1948 1 1 2 VAL CA C 4.243 -3.085 -2.381 1.00 . A A . 2 VAL CA 1 1 13 1949 1 1 2 VAL CB C 4.029 -3.476 -3.855 1.00 . A A . 2 VAL CB 1 1 13 1950 1 1 2 VAL CG1 C 4.078 -4.988 -4.019 1.00 . A A . 2 VAL CG1 1 1 13 1951 1 1 2 VAL CG2 C 2.710 -2.918 -4.369 1.00 . A A . 2 VAL CG2 1 1 13 1952 1 1 2 VAL H H 3.575 -1.110 -2.747 1.00 . A A . 2 VAL H 1 1 13 1953 1 1 2 VAL HA H 3.799 -3.849 -1.760 1.00 . A A . 2 VAL HA 1 1 13 1954 1 1 2 VAL HB H 4.829 -3.047 -4.440 1.00 . A A . 2 VAL HB 1 1 13 1955 1 1 2 VAL HG11 H 4.922 -5.381 -3.473 1.00 . A A . 2 VAL HG11 1 1 13 1956 1 1 2 VAL HG12 H 3.166 -5.421 -3.636 1.00 . A A . 2 VAL HG12 1 1 13 1957 1 1 2 VAL HG13 H 4.182 -5.233 -5.066 1.00 . A A . 2 VAL HG13 1 1 13 1958 1 1 2 VAL HG21 H 1.931 -3.119 -3.649 1.00 . A A . 2 VAL HG21 1 1 13 1959 1 1 2 VAL HG22 H 2.802 -1.851 -4.512 1.00 . A A . 2 VAL HG22 1 1 13 1960 1 1 2 VAL HG23 H 2.462 -3.387 -5.309 1.00 . A A . 2 VAL HG23 1 1 13 1961 1 1 2 VAL N N 3.594 -1.817 -2.069 1.00 . A A . 2 VAL N 1 1 13 1962 1 1 2 VAL O O 6.245 -3.724 -1.219 1.00 . A A . 2 VAL O 1 1 13 1963 1 1 3 TYR C C 8.215 -1.553 -1.254 1.00 . A A . 3 TYR C 1 1 13 1964 1 1 3 TYR CA C 7.882 -2.021 -2.667 1.00 . A A . 3 TYR CA 1 1 13 1965 1 1 3 TYR CB C 8.435 -1.027 -3.689 1.00 . A A . 3 TYR CB 1 1 13 1966 1 1 3 TYR CD1 C 9.262 -2.340 -5.681 1.00 . A A . 3 TYR CD1 1 1 13 1967 1 1 3 TYR CD2 C 10.879 -1.381 -4.217 1.00 . A A . 3 TYR CD2 1 1 13 1968 1 1 3 TYR CE1 C 10.273 -2.860 -6.466 1.00 . A A . 3 TYR CE1 1 1 13 1969 1 1 3 TYR CE2 C 11.897 -1.896 -4.996 1.00 . A A . 3 TYR CE2 1 1 13 1970 1 1 3 TYR CG C 9.546 -1.593 -4.545 1.00 . A A . 3 TYR CG 1 1 13 1971 1 1 3 TYR CZ C 11.589 -2.635 -6.119 1.00 . A A . 3 TYR CZ 1 1 13 1972 1 1 3 TYR H H 5.983 -1.642 -3.522 1.00 . A A . 3 TYR H 1 1 13 1973 1 1 3 TYR HA H 8.341 -2.985 -2.832 1.00 . A A . 3 TYR HA 1 1 13 1974 1 1 3 TYR HB2 H 7.638 -0.715 -4.346 1.00 . A A . 3 TYR HB2 1 1 13 1975 1 1 3 TYR HB3 H 8.824 -0.164 -3.168 1.00 . A A . 3 TYR HB3 1 1 13 1976 1 1 3 TYR HD1 H 8.230 -2.515 -5.950 1.00 . A A . 3 TYR HD1 1 1 13 1977 1 1 3 TYR HD2 H 11.117 -0.802 -3.336 1.00 . A A . 3 TYR HD2 1 1 13 1978 1 1 3 TYR HE1 H 10.033 -3.439 -7.346 1.00 . A A . 3 TYR HE1 1 1 13 1979 1 1 3 TYR HE2 H 12.928 -1.720 -4.725 1.00 . A A . 3 TYR HE2 1 1 13 1980 1 1 3 TYR HH H 12.265 -3.893 -7.406 1.00 . A A . 3 TYR HH 1 1 13 1981 1 1 3 TYR N N 6.442 -2.175 -2.839 1.00 . A A . 3 TYR N 1 1 13 1982 1 1 3 TYR O O 9.265 -1.890 -0.706 1.00 . A A . 3 TYR O 1 1 13 1983 1 1 3 TYR OH O 12.600 -3.150 -6.898 1.00 . A A . 3 TYR OH 1 1 13 1984 1 1 4 VAL C C 7.421 -1.378 1.714 1.00 . A A . 4 VAL C 1 1 13 1985 1 1 4 VAL CA C 7.507 -0.259 0.683 1.00 . A A . 4 VAL CA 1 1 13 1986 1 1 4 VAL CB C 6.466 0.823 1.027 1.00 . A A . 4 VAL CB 1 1 13 1987 1 1 4 VAL CG1 C 6.600 1.249 2.481 1.00 . A A . 4 VAL CG1 1 1 13 1988 1 1 4 VAL CG2 C 6.611 2.017 0.097 1.00 . A A . 4 VAL CG2 1 1 13 1989 1 1 4 VAL H H 6.494 -0.539 -1.155 1.00 . A A . 4 VAL H 1 1 13 1990 1 1 4 VAL HA H 8.489 0.188 0.731 1.00 . A A . 4 VAL HA 1 1 13 1991 1 1 4 VAL HB H 5.480 0.403 0.888 1.00 . A A . 4 VAL HB 1 1 13 1992 1 1 4 VAL HG11 H 7.626 1.519 2.683 1.00 . A A . 4 VAL HG11 1 1 13 1993 1 1 4 VAL HG12 H 5.959 2.099 2.668 1.00 . A A . 4 VAL HG12 1 1 13 1994 1 1 4 VAL HG13 H 6.310 0.431 3.124 1.00 . A A . 4 VAL HG13 1 1 13 1995 1 1 4 VAL HG21 H 7.482 2.590 0.381 1.00 . A A . 4 VAL HG21 1 1 13 1996 1 1 4 VAL HG22 H 6.725 1.671 -0.920 1.00 . A A . 4 VAL HG22 1 1 13 1997 1 1 4 VAL HG23 H 5.732 2.639 0.168 1.00 . A A . 4 VAL HG23 1 1 13 1998 1 1 4 VAL N N 7.312 -0.773 -0.668 1.00 . A A . 4 VAL N 1 1 13 1999 1 1 4 VAL O O 8.057 -1.316 2.767 1.00 . A A . 4 VAL O 1 1 13 2000 1 1 5 TYR C C 7.657 -4.479 2.227 1.00 . A A . 5 TYR C 1 1 13 2001 1 1 5 TYR CA C 6.462 -3.534 2.307 1.00 . A A . 5 TYR CA 1 1 13 2002 1 1 5 TYR CB C 5.176 -4.291 1.970 1.00 . A A . 5 TYR CB 1 1 13 2003 1 1 5 TYR CD1 C 3.377 -5.081 3.556 1.00 . A A . 5 TYR CD1 1 1 13 2004 1 1 5 TYR CD2 C 3.652 -2.734 3.247 1.00 . A A . 5 TYR CD2 1 1 13 2005 1 1 5 TYR CE1 C 2.345 -4.848 4.445 1.00 . A A . 5 TYR CE1 1 1 13 2006 1 1 5 TYR CE2 C 2.623 -2.491 4.135 1.00 . A A . 5 TYR CE2 1 1 13 2007 1 1 5 TYR CG C 4.048 -4.031 2.943 1.00 . A A . 5 TYR CG 1 1 13 2008 1 1 5 TYR CZ C 1.972 -3.551 4.731 1.00 . A A . 5 TYR CZ 1 1 13 2009 1 1 5 TYR H H 6.152 -2.394 0.551 1.00 . A A . 5 TYR H 1 1 13 2010 1 1 5 TYR HA H 6.389 -3.149 3.313 1.00 . A A . 5 TYR HA 1 1 13 2011 1 1 5 TYR HB2 H 4.841 -3.999 0.988 1.00 . A A . 5 TYR HB2 1 1 13 2012 1 1 5 TYR HB3 H 5.380 -5.352 1.975 1.00 . A A . 5 TYR HB3 1 1 13 2013 1 1 5 TYR HD1 H 3.671 -6.096 3.330 1.00 . A A . 5 TYR HD1 1 1 13 2014 1 1 5 TYR HD2 H 4.164 -1.906 2.778 1.00 . A A . 5 TYR HD2 1 1 13 2015 1 1 5 TYR HE1 H 1.835 -5.678 4.912 1.00 . A A . 5 TYR HE1 1 1 13 2016 1 1 5 TYR HE2 H 2.330 -1.476 4.359 1.00 . A A . 5 TYR HE2 1 1 13 2017 1 1 5 TYR HH H 1.183 -2.586 6.195 1.00 . A A . 5 TYR HH 1 1 13 2018 1 1 5 TYR N N 6.632 -2.401 1.405 1.00 . A A . 5 TYR N 1 1 13 2019 1 1 5 TYR O O 7.837 -5.345 3.082 1.00 . A A . 5 TYR O 1 1 13 2020 1 1 5 TYR OH O 0.945 -3.314 5.616 1.00 . A A . 5 TYR OH 1 1 13 2021 1 1 6 SER C C 10.668 -4.917 2.111 1.00 . A A . 6 SER C 1 1 13 2022 1 1 6 SER CA C 9.651 -5.141 0.997 1.00 . A A . 6 SER CA 1 1 13 2023 1 1 6 SER CB C 10.292 -4.848 -0.361 1.00 . A A . 6 SER CB 1 1 13 2024 1 1 6 SER H H 8.277 -3.596 0.543 1.00 . A A . 6 SER H 1 1 13 2025 1 1 6 SER HA H 9.331 -6.173 1.019 1.00 . A A . 6 SER HA 1 1 13 2026 1 1 6 SER HB2 H 9.555 -4.977 -1.140 1.00 . A A . 6 SER HB2 1 1 13 2027 1 1 6 SER HB3 H 10.654 -3.831 -0.373 1.00 . A A . 6 SER HB3 1 1 13 2028 1 1 6 SER HG H 12.187 -5.214 -0.696 1.00 . A A . 6 SER HG 1 1 13 2029 1 1 6 SER N N 8.473 -4.304 1.192 1.00 . A A . 6 SER N 1 1 13 2030 1 1 6 SER O O 11.554 -5.742 2.333 1.00 . A A . 6 SER O 1 1 13 2031 1 1 6 SER OG O 11.378 -5.723 -0.612 1.00 . A A . 6 SER OG 1 1 13 2032 1 1 7 ARG C C 11.272 -4.428 5.065 1.00 . A A . 7 ARG C 1 1 13 2033 1 1 7 ARG CA C 11.442 -3.459 3.899 1.00 . A A . 7 ARG CA 1 1 13 2034 1 1 7 ARG CB C 11.195 -2.025 4.374 1.00 . A A . 7 ARG CB 1 1 13 2035 1 1 7 ARG CD C 9.490 -0.415 5.275 1.00 . A A . 7 ARG CD 1 1 13 2036 1 1 7 ARG CG C 9.933 -1.867 5.205 1.00 . A A . 7 ARG CG 1 1 13 2037 1 1 7 ARG CZ C 7.760 -0.414 7.022 1.00 . A A . 7 ARG CZ 1 1 13 2038 1 1 7 ARG H H 9.808 -3.175 2.584 1.00 . A A . 7 ARG H 1 1 13 2039 1 1 7 ARG HA H 12.452 -3.536 3.526 1.00 . A A . 7 ARG HA 1 1 13 2040 1 1 7 ARG HB2 H 12.036 -1.707 4.972 1.00 . A A . 7 ARG HB2 1 1 13 2041 1 1 7 ARG HB3 H 11.114 -1.382 3.511 1.00 . A A . 7 ARG HB3 1 1 13 2042 1 1 7 ARG HD2 H 10.144 0.116 5.950 1.00 . A A . 7 ARG HD2 1 1 13 2043 1 1 7 ARG HD3 H 9.563 0.018 4.288 1.00 . A A . 7 ARG HD3 1 1 13 2044 1 1 7 ARG HE H 7.422 -0.091 5.083 1.00 . A A . 7 ARG HE 1 1 13 2045 1 1 7 ARG HG2 H 9.143 -2.452 4.758 1.00 . A A . 7 ARG HG2 1 1 13 2046 1 1 7 ARG HG3 H 10.126 -2.224 6.206 1.00 . A A . 7 ARG HG3 1 1 13 2047 1 1 7 ARG HH11 H 9.635 -0.775 7.682 1.00 . A A . 7 ARG HH11 1 1 13 2048 1 1 7 ARG HH12 H 8.407 -0.772 8.903 1.00 . A A . 7 ARG HH12 1 1 13 2049 1 1 7 ARG HH21 H 5.795 -0.083 6.683 1.00 . A A . 7 ARG HH21 1 1 13 2050 1 1 7 ARG HH22 H 6.223 -0.379 8.334 1.00 . A A . 7 ARG HH22 1 1 13 2051 1 1 7 ARG N N 10.534 -3.794 2.809 1.00 . A A . 7 ARG N 1 1 13 2052 1 1 7 ARG NE N 8.114 -0.284 5.749 1.00 . A A . 7 ARG NE 1 1 13 2053 1 1 7 ARG NH1 N 8.676 -0.676 7.945 1.00 . A A . 7 ARG NH1 1 1 13 2054 1 1 7 ARG NH2 N 6.488 -0.281 7.375 1.00 . A A . 7 ARG NH2 1 1 13 2055 1 1 7 ARG O O 12.219 -4.700 5.804 1.00 . A A . 7 ARG O 1 1 13 2056 1 1 8 VAL C C 10.457 -7.224 6.066 1.00 . A A . 8 VAL C 1 1 13 2057 1 1 8 VAL CA C 9.764 -5.886 6.300 1.00 . A A . 8 VAL CA 1 1 13 2058 1 1 8 VAL CB C 8.249 -6.124 6.439 1.00 . A A . 8 VAL CB 1 1 13 2059 1 1 8 VAL CG1 C 7.970 -7.206 7.471 1.00 . A A . 8 VAL CG1 1 1 13 2060 1 1 8 VAL CG2 C 7.538 -4.830 6.807 1.00 . A A . 8 VAL CG2 1 1 13 2061 1 1 8 VAL H H 9.344 -4.692 4.604 1.00 . A A . 8 VAL H 1 1 13 2062 1 1 8 VAL HA H 10.127 -5.460 7.224 1.00 . A A . 8 VAL HA 1 1 13 2063 1 1 8 VAL HB H 7.868 -6.460 5.486 1.00 . A A . 8 VAL HB 1 1 13 2064 1 1 8 VAL HG11 H 8.392 -8.142 7.134 1.00 . A A . 8 VAL HG11 1 1 13 2065 1 1 8 VAL HG12 H 8.415 -6.928 8.414 1.00 . A A . 8 VAL HG12 1 1 13 2066 1 1 8 VAL HG13 H 6.903 -7.318 7.595 1.00 . A A . 8 VAL HG13 1 1 13 2067 1 1 8 VAL HG21 H 7.401 -4.231 5.919 1.00 . A A . 8 VAL HG21 1 1 13 2068 1 1 8 VAL HG22 H 6.575 -5.058 7.240 1.00 . A A . 8 VAL HG22 1 1 13 2069 1 1 8 VAL HG23 H 8.134 -4.282 7.522 1.00 . A A . 8 VAL HG23 1 1 13 2070 1 1 8 VAL N N 10.058 -4.947 5.225 1.00 . A A . 8 VAL N 1 1 13 2071 1 1 8 VAL O O 11.422 -7.564 6.751 1.00 . A A . 8 VAL O 1 1 13 2072 1 1 9 LYS C C 10.639 -10.156 6.011 1.00 . A A . 9 LYS C 1 1 13 2073 1 1 9 LYS CA C 10.532 -9.281 4.767 1.00 . A A . 9 LYS CA 1 1 13 2074 1 1 9 LYS CB C 11.913 -9.108 4.131 1.00 . A A . 9 LYS CB 1 1 13 2075 1 1 9 LYS CD C 11.400 -10.140 1.898 1.00 . A A . 9 LYS CD 1 1 13 2076 1 1 9 LYS CE C 11.942 -10.192 0.478 1.00 . A A . 9 LYS CE 1 1 13 2077 1 1 9 LYS CG C 11.868 -8.892 2.628 1.00 . A A . 9 LYS CG 1 1 13 2078 1 1 9 LYS H H 9.189 -7.655 4.582 1.00 . A A . 9 LYS H 1 1 13 2079 1 1 9 LYS HA H 9.876 -9.763 4.058 1.00 . A A . 9 LYS HA 1 1 13 2080 1 1 9 LYS HB2 H 12.400 -8.256 4.582 1.00 . A A . 9 LYS HB2 1 1 13 2081 1 1 9 LYS HB3 H 12.500 -9.994 4.328 1.00 . A A . 9 LYS HB3 1 1 13 2082 1 1 9 LYS HD2 H 11.745 -11.011 2.435 1.00 . A A . 9 LYS HD2 1 1 13 2083 1 1 9 LYS HD3 H 10.319 -10.141 1.862 1.00 . A A . 9 LYS HD3 1 1 13 2084 1 1 9 LYS HE2 H 11.126 -10.399 -0.197 1.00 . A A . 9 LYS HE2 1 1 13 2085 1 1 9 LYS HE3 H 12.373 -9.232 0.237 1.00 . A A . 9 LYS HE3 1 1 13 2086 1 1 9 LYS HG2 H 11.185 -8.083 2.410 1.00 . A A . 9 LYS HG2 1 1 13 2087 1 1 9 LYS HG3 H 12.858 -8.633 2.281 1.00 . A A . 9 LYS HG3 1 1 13 2088 1 1 9 LYS HZ1 H 12.686 -12.115 0.806 1.00 . A A . 9 LYS HZ1 1 1 13 2089 1 1 9 LYS HZ2 H 13.882 -10.922 0.729 1.00 . A A . 9 LYS HZ2 1 1 13 2090 1 1 9 LYS HZ3 H 13.128 -11.456 -0.688 1.00 . A A . 9 LYS HZ3 1 1 13 2091 1 1 9 LYS N N 9.960 -7.980 5.094 1.00 . A A . 9 LYS N 1 1 13 2092 1 1 9 LYS NZ N 12.983 -11.245 0.320 1.00 . A A . 9 LYS NZ 1 1 13 2093 1 1 9 LYS O O 9.656 -10.756 6.447 1.00 . A A . 9 LYS O 1 1 14 2094 1 1 1 THR C C 3.244 -1.373 -0.842 1.00 . A A . 1 THR C 1 1 14 2095 1 1 1 THR CA C 2.600 -0.036 -0.494 1.00 . A A . 1 THR CA 1 1 14 2096 1 1 1 THR CB C 1.541 0.303 -1.560 1.00 . A A . 1 THR CB 1 1 14 2097 1 1 1 THR CG2 C 0.462 -0.769 -1.611 1.00 . A A . 1 THR CG2 1 1 14 2098 1 1 1 THR H1 H 3.545 1.795 -0.979 1.00 . A A . 1 THR H1 1 1 14 2099 1 1 1 THR HA H 2.103 -0.124 0.462 1.00 . A A . 1 THR HA 1 1 14 2100 1 1 1 THR HB H 2.026 0.352 -2.524 1.00 . A A . 1 THR HB 1 1 14 2101 1 1 1 THR HG1 H 1.508 2.275 -1.606 1.00 . A A . 1 THR HG1 1 1 14 2102 1 1 1 THR HG21 H 0.863 -1.661 -2.070 1.00 . A A . 1 THR HG21 1 1 14 2103 1 1 1 THR HG22 H -0.374 -0.410 -2.192 1.00 . A A . 1 THR HG22 1 1 14 2104 1 1 1 THR HG23 H 0.133 -0.996 -0.609 1.00 . A A . 1 THR HG23 1 1 14 2105 1 1 1 THR N N 3.601 1.018 -0.385 1.00 . A A . 1 THR N 1 1 14 2106 1 1 1 THR O O 3.310 -2.277 -0.009 1.00 . A A . 1 THR O 1 1 14 2107 1 1 1 THR OG1 O 0.945 1.573 -1.271 1.00 . A A . 1 THR OG1 1 1 14 2108 1 1 2 VAL C C 5.870 -2.661 -2.325 1.00 . A A . 2 VAL C 1 1 14 2109 1 1 2 VAL CA C 4.361 -2.719 -2.535 1.00 . A A . 2 VAL CA 1 1 14 2110 1 1 2 VAL CB C 4.071 -2.982 -4.025 1.00 . A A . 2 VAL CB 1 1 14 2111 1 1 2 VAL CG1 C 4.124 -4.472 -4.324 1.00 . A A . 2 VAL CG1 1 1 14 2112 1 1 2 VAL CG2 C 2.721 -2.399 -4.415 1.00 . A A . 2 VAL CG2 1 1 14 2113 1 1 2 VAL H H 3.637 -0.736 -2.696 1.00 . A A . 2 VAL H 1 1 14 2114 1 1 2 VAL HA H 3.958 -3.540 -1.961 1.00 . A A . 2 VAL HA 1 1 14 2115 1 1 2 VAL HB H 4.834 -2.492 -4.611 1.00 . A A . 2 VAL HB 1 1 14 2116 1 1 2 VAL HG11 H 3.142 -4.902 -4.188 1.00 . A A . 2 VAL HG11 1 1 14 2117 1 1 2 VAL HG12 H 4.446 -4.624 -5.344 1.00 . A A . 2 VAL HG12 1 1 14 2118 1 1 2 VAL HG13 H 4.821 -4.950 -3.651 1.00 . A A . 2 VAL HG13 1 1 14 2119 1 1 2 VAL HG21 H 2.795 -1.323 -4.465 1.00 . A A . 2 VAL HG21 1 1 14 2120 1 1 2 VAL HG22 H 2.427 -2.785 -5.380 1.00 . A A . 2 VAL HG22 1 1 14 2121 1 1 2 VAL HG23 H 1.982 -2.675 -3.677 1.00 . A A . 2 VAL HG23 1 1 14 2122 1 1 2 VAL N N 3.720 -1.492 -2.077 1.00 . A A . 2 VAL N 1 1 14 2123 1 1 2 VAL O O 6.428 -3.431 -1.543 1.00 . A A . 2 VAL O 1 1 14 2124 1 1 3 TYR C C 8.376 -1.242 -1.490 1.00 . A A . 3 TYR C 1 1 14 2125 1 1 3 TYR CA C 7.970 -1.586 -2.920 1.00 . A A . 3 TYR CA 1 1 14 2126 1 1 3 TYR CB C 8.459 -0.497 -3.877 1.00 . A A . 3 TYR CB 1 1 14 2127 1 1 3 TYR CD1 C 9.469 -1.976 -5.657 1.00 . A A . 3 TYR CD1 1 1 14 2128 1 1 3 TYR CD2 C 10.848 -0.301 -4.670 1.00 . A A . 3 TYR CD2 1 1 14 2129 1 1 3 TYR CE1 C 10.521 -2.378 -6.457 1.00 . A A . 3 TYR CE1 1 1 14 2130 1 1 3 TYR CE2 C 11.905 -0.695 -5.467 1.00 . A A . 3 TYR CE2 1 1 14 2131 1 1 3 TYR CG C 9.613 -0.933 -4.751 1.00 . A A . 3 TYR CG 1 1 14 2132 1 1 3 TYR CZ C 11.737 -1.734 -6.359 1.00 . A A . 3 TYR CZ 1 1 14 2133 1 1 3 TYR H H 6.025 -1.159 -3.635 1.00 . A A . 3 TYR H 1 1 14 2134 1 1 3 TYR HA H 8.428 -2.525 -3.196 1.00 . A A . 3 TYR HA 1 1 14 2135 1 1 3 TYR HB2 H 7.646 -0.205 -4.524 1.00 . A A . 3 TYR HB2 1 1 14 2136 1 1 3 TYR HB3 H 8.781 0.359 -3.303 1.00 . A A . 3 TYR HB3 1 1 14 2137 1 1 3 TYR HD1 H 8.516 -2.479 -5.732 1.00 . A A . 3 TYR HD1 1 1 14 2138 1 1 3 TYR HD2 H 10.976 0.512 -3.970 1.00 . A A . 3 TYR HD2 1 1 14 2139 1 1 3 TYR HE1 H 10.390 -3.191 -7.156 1.00 . A A . 3 TYR HE1 1 1 14 2140 1 1 3 TYR HE2 H 12.858 -0.191 -5.390 1.00 . A A . 3 TYR HE2 1 1 14 2141 1 1 3 TYR HH H 13.324 -1.366 -7.380 1.00 . A A . 3 TYR HH 1 1 14 2142 1 1 3 TYR N N 6.525 -1.744 -3.028 1.00 . A A . 3 TYR N 1 1 14 2143 1 1 3 TYR O O 9.466 -1.595 -1.039 1.00 . A A . 3 TYR O 1 1 14 2144 1 1 3 TYR OH O 12.788 -2.130 -7.154 1.00 . A A . 3 TYR OH 1 1 14 2145 1 1 4 VAL C C 7.753 -1.370 1.523 1.00 . A A . 4 VAL C 1 1 14 2146 1 1 4 VAL CA C 7.753 -0.158 0.598 1.00 . A A . 4 VAL CA 1 1 14 2147 1 1 4 VAL CB C 6.710 0.857 1.102 1.00 . A A . 4 VAL CB 1 1 14 2148 1 1 4 VAL CG1 C 6.918 1.148 2.580 1.00 . A A . 4 VAL CG1 1 1 14 2149 1 1 4 VAL CG2 C 6.775 2.138 0.284 1.00 . A A . 4 VAL CG2 1 1 14 2150 1 1 4 VAL H H 6.638 -0.298 -1.196 1.00 . A A . 4 VAL H 1 1 14 2151 1 1 4 VAL HA H 8.726 0.310 0.633 1.00 . A A . 4 VAL HA 1 1 14 2152 1 1 4 VAL HB H 5.727 0.425 0.978 1.00 . A A . 4 VAL HB 1 1 14 2153 1 1 4 VAL HG11 H 6.218 1.906 2.900 1.00 . A A . 4 VAL HG11 1 1 14 2154 1 1 4 VAL HG12 H 6.758 0.245 3.151 1.00 . A A . 4 VAL HG12 1 1 14 2155 1 1 4 VAL HG13 H 7.927 1.501 2.739 1.00 . A A . 4 VAL HG13 1 1 14 2156 1 1 4 VAL HG21 H 6.423 1.942 -0.718 1.00 . A A . 4 VAL HG21 1 1 14 2157 1 1 4 VAL HG22 H 6.152 2.892 0.743 1.00 . A A . 4 VAL HG22 1 1 14 2158 1 1 4 VAL HG23 H 7.795 2.489 0.245 1.00 . A A . 4 VAL HG23 1 1 14 2159 1 1 4 VAL N N 7.490 -0.550 -0.781 1.00 . A A . 4 VAL N 1 1 14 2160 1 1 4 VAL O O 8.461 -1.395 2.530 1.00 . A A . 4 VAL O 1 1 14 2161 1 1 5 TYR C C 8.162 -4.389 1.904 1.00 . A A . 5 TYR C 1 1 14 2162 1 1 5 TYR CA C 6.864 -3.590 1.974 1.00 . A A . 5 TYR CA 1 1 14 2163 1 1 5 TYR CB C 5.695 -4.452 1.495 1.00 . A A . 5 TYR CB 1 1 14 2164 1 1 5 TYR CD1 C 4.034 -3.143 2.875 1.00 . A A . 5 TYR CD1 1 1 14 2165 1 1 5 TYR CD2 C 3.764 -5.507 2.736 1.00 . A A . 5 TYR CD2 1 1 14 2166 1 1 5 TYR CE1 C 2.920 -3.059 3.688 1.00 . A A . 5 TYR CE1 1 1 14 2167 1 1 5 TYR CE2 C 2.649 -5.432 3.547 1.00 . A A . 5 TYR CE2 1 1 14 2168 1 1 5 TYR CG C 4.475 -4.366 2.385 1.00 . A A . 5 TYR CG 1 1 14 2169 1 1 5 TYR CZ C 2.231 -4.206 4.021 1.00 . A A . 5 TYR CZ 1 1 14 2170 1 1 5 TYR H H 6.417 -2.296 0.360 1.00 . A A . 5 TYR H 1 1 14 2171 1 1 5 TYR HA H 6.688 -3.300 2.999 1.00 . A A . 5 TYR HA 1 1 14 2172 1 1 5 TYR HB2 H 5.405 -4.136 0.505 1.00 . A A . 5 TYR HB2 1 1 14 2173 1 1 5 TYR HB3 H 6.008 -5.485 1.461 1.00 . A A . 5 TYR HB3 1 1 14 2174 1 1 5 TYR HD1 H 4.576 -2.246 2.612 1.00 . A A . 5 TYR HD1 1 1 14 2175 1 1 5 TYR HD2 H 4.095 -6.466 2.363 1.00 . A A . 5 TYR HD2 1 1 14 2176 1 1 5 TYR HE1 H 2.592 -2.099 4.060 1.00 . A A . 5 TYR HE1 1 1 14 2177 1 1 5 TYR HE2 H 2.109 -6.331 3.808 1.00 . A A . 5 TYR HE2 1 1 14 2178 1 1 5 TYR HH H 1.044 -3.238 5.182 1.00 . A A . 5 TYR HH 1 1 14 2179 1 1 5 TYR N N 6.957 -2.374 1.174 1.00 . A A . 5 TYR N 1 1 14 2180 1 1 5 TYR O O 8.388 -5.298 2.702 1.00 . A A . 5 TYR O 1 1 14 2181 1 1 5 TYR OH O 1.121 -4.128 4.831 1.00 . A A . 5 TYR OH 1 1 14 2182 1 1 6 SER C C 11.245 -4.396 1.904 1.00 . A A . 6 SER C 1 1 14 2183 1 1 6 SER CA C 10.286 -4.727 0.764 1.00 . A A . 6 SER CA 1 1 14 2184 1 1 6 SER CB C 10.915 -4.339 -0.575 1.00 . A A . 6 SER CB 1 1 14 2185 1 1 6 SER H H 8.774 -3.308 0.337 1.00 . A A . 6 SER H 1 1 14 2186 1 1 6 SER HA H 10.094 -5.790 0.768 1.00 . A A . 6 SER HA 1 1 14 2187 1 1 6 SER HB2 H 10.261 -4.644 -1.378 1.00 . A A . 6 SER HB2 1 1 14 2188 1 1 6 SER HB3 H 11.052 -3.268 -0.609 1.00 . A A . 6 SER HB3 1 1 14 2189 1 1 6 SER HG H 12.163 -5.828 -0.324 1.00 . A A . 6 SER HG 1 1 14 2190 1 1 6 SER N N 9.011 -4.041 0.942 1.00 . A A . 6 SER N 1 1 14 2191 1 1 6 SER O O 12.219 -5.111 2.138 1.00 . A A . 6 SER O 1 1 14 2192 1 1 6 SER OG O 12.174 -4.967 -0.748 1.00 . A A . 6 SER OG 1 1 14 2193 1 1 7 ARG C C 11.930 -3.990 4.763 1.00 . A A . 7 ARG C 1 1 14 2194 1 1 7 ARG CA C 11.798 -2.879 3.725 1.00 . A A . 7 ARG CA 1 1 14 2195 1 1 7 ARG CB C 11.214 -1.625 4.377 1.00 . A A . 7 ARG CB 1 1 14 2196 1 1 7 ARG CD C 9.341 -0.605 5.708 1.00 . A A . 7 ARG CD 1 1 14 2197 1 1 7 ARG CG C 9.988 -1.897 5.234 1.00 . A A . 7 ARG CG 1 1 14 2198 1 1 7 ARG CZ C 7.731 0.108 7.424 1.00 . A A . 7 ARG CZ 1 1 14 2199 1 1 7 ARG H H 10.170 -2.777 2.376 1.00 . A A . 7 ARG H 1 1 14 2200 1 1 7 ARG HA H 12.778 -2.649 3.335 1.00 . A A . 7 ARG HA 1 1 14 2201 1 1 7 ARG HB2 H 11.969 -1.173 5.003 1.00 . A A . 7 ARG HB2 1 1 14 2202 1 1 7 ARG HB3 H 10.936 -0.927 3.601 1.00 . A A . 7 ARG HB3 1 1 14 2203 1 1 7 ARG HD2 H 10.117 0.123 5.892 1.00 . A A . 7 ARG HD2 1 1 14 2204 1 1 7 ARG HD3 H 8.683 -0.243 4.933 1.00 . A A . 7 ARG HD3 1 1 14 2205 1 1 7 ARG HE H 8.687 -1.642 7.415 1.00 . A A . 7 ARG HE 1 1 14 2206 1 1 7 ARG HG2 H 9.269 -2.453 4.650 1.00 . A A . 7 ARG HG2 1 1 14 2207 1 1 7 ARG HG3 H 10.284 -2.479 6.094 1.00 . A A . 7 ARG HG3 1 1 14 2208 1 1 7 ARG HH11 H 8.053 1.451 5.949 1.00 . A A . 7 ARG HH11 1 1 14 2209 1 1 7 ARG HH12 H 6.920 1.941 7.164 1.00 . A A . 7 ARG HH12 1 1 14 2210 1 1 7 ARG HH21 H 7.197 -1.008 9.022 1.00 . A A . 7 ARG HH21 1 1 14 2211 1 1 7 ARG HH22 H 6.435 0.542 8.912 1.00 . A A . 7 ARG HH22 1 1 14 2212 1 1 7 ARG N N 10.961 -3.307 2.610 1.00 . A A . 7 ARG N 1 1 14 2213 1 1 7 ARG NE N 8.571 -0.797 6.934 1.00 . A A . 7 ARG NE 1 1 14 2214 1 1 7 ARG NH1 N 7.554 1.262 6.794 1.00 . A A . 7 ARG NH1 1 1 14 2215 1 1 7 ARG NH2 N 7.066 -0.140 8.545 1.00 . A A . 7 ARG NH2 1 1 14 2216 1 1 7 ARG O O 12.945 -4.093 5.452 1.00 . A A . 7 ARG O 1 1 14 2217 1 1 8 VAL C C 11.889 -7.005 5.409 1.00 . A A . 8 VAL C 1 1 14 2218 1 1 8 VAL CA C 10.897 -5.923 5.822 1.00 . A A . 8 VAL CA 1 1 14 2219 1 1 8 VAL CB C 9.497 -6.550 5.956 1.00 . A A . 8 VAL CB 1 1 14 2220 1 1 8 VAL CG1 C 9.547 -7.785 6.843 1.00 . A A . 8 VAL CG1 1 1 14 2221 1 1 8 VAL CG2 C 8.508 -5.531 6.501 1.00 . A A . 8 VAL CG2 1 1 14 2222 1 1 8 VAL H H 10.116 -4.687 4.292 1.00 . A A . 8 VAL H 1 1 14 2223 1 1 8 VAL HA H 11.187 -5.532 6.786 1.00 . A A . 8 VAL HA 1 1 14 2224 1 1 8 VAL HB H 9.165 -6.853 4.974 1.00 . A A . 8 VAL HB 1 1 14 2225 1 1 8 VAL HG11 H 8.547 -8.169 6.981 1.00 . A A . 8 VAL HG11 1 1 14 2226 1 1 8 VAL HG12 H 10.163 -8.539 6.376 1.00 . A A . 8 VAL HG12 1 1 14 2227 1 1 8 VAL HG13 H 9.965 -7.521 7.803 1.00 . A A . 8 VAL HG13 1 1 14 2228 1 1 8 VAL HG21 H 8.200 -4.868 5.707 1.00 . A A . 8 VAL HG21 1 1 14 2229 1 1 8 VAL HG22 H 7.643 -6.044 6.897 1.00 . A A . 8 VAL HG22 1 1 14 2230 1 1 8 VAL HG23 H 8.976 -4.959 7.288 1.00 . A A . 8 VAL HG23 1 1 14 2231 1 1 8 VAL N N 10.897 -4.820 4.869 1.00 . A A . 8 VAL N 1 1 14 2232 1 1 8 VAL O O 12.940 -7.169 6.029 1.00 . A A . 8 VAL O 1 1 14 2233 1 1 9 LYS C C 13.819 -8.292 3.596 1.00 . A A . 9 LYS C 1 1 14 2234 1 1 9 LYS CA C 12.408 -8.809 3.859 1.00 . A A . 9 LYS CA 1 1 14 2235 1 1 9 LYS CB C 11.825 -9.405 2.576 1.00 . A A . 9 LYS CB 1 1 14 2236 1 1 9 LYS CD C 10.279 -10.961 3.800 1.00 . A A . 9 LYS CD 1 1 14 2237 1 1 9 LYS CE C 9.031 -11.809 3.610 1.00 . A A . 9 LYS CE 1 1 14 2238 1 1 9 LYS CG C 10.394 -9.891 2.727 1.00 . A A . 9 LYS CG 1 1 14 2239 1 1 9 LYS H H 10.697 -7.564 3.905 1.00 . A A . 9 LYS H 1 1 14 2240 1 1 9 LYS HA H 12.455 -9.578 4.615 1.00 . A A . 9 LYS HA 1 1 14 2241 1 1 9 LYS HB2 H 11.848 -8.653 1.801 1.00 . A A . 9 LYS HB2 1 1 14 2242 1 1 9 LYS HB3 H 12.437 -10.242 2.271 1.00 . A A . 9 LYS HB3 1 1 14 2243 1 1 9 LYS HD2 H 11.147 -11.603 3.751 1.00 . A A . 9 LYS HD2 1 1 14 2244 1 1 9 LYS HD3 H 10.236 -10.484 4.769 1.00 . A A . 9 LYS HD3 1 1 14 2245 1 1 9 LYS HE2 H 8.197 -11.157 3.398 1.00 . A A . 9 LYS HE2 1 1 14 2246 1 1 9 LYS HE3 H 9.188 -12.475 2.775 1.00 . A A . 9 LYS HE3 1 1 14 2247 1 1 9 LYS HG2 H 9.766 -9.056 2.999 1.00 . A A . 9 LYS HG2 1 1 14 2248 1 1 9 LYS HG3 H 10.062 -10.302 1.784 1.00 . A A . 9 LYS HG3 1 1 14 2249 1 1 9 LYS HZ1 H 9.184 -13.544 4.762 1.00 . A A . 9 LYS HZ1 1 1 14 2250 1 1 9 LYS HZ2 H 7.692 -12.760 4.901 1.00 . A A . 9 LYS HZ2 1 1 14 2251 1 1 9 LYS HZ3 H 9.056 -12.125 5.675 1.00 . A A . 9 LYS HZ3 1 1 14 2252 1 1 9 LYS N N 11.548 -7.742 4.358 1.00 . A A . 9 LYS N 1 1 14 2253 1 1 9 LYS NZ N 8.718 -12.616 4.822 1.00 . A A . 9 LYS NZ 1 1 14 2254 1 1 9 LYS O O 14.792 -8.803 4.151 1.00 . A A . 9 LYS O 1 1 15 2255 1 1 1 THR C C 2.990 -1.974 -0.664 1.00 . A A . 1 THR C 1 1 15 2256 1 1 1 THR CA C 2.393 -0.627 -0.272 1.00 . A A . 1 THR CA 1 1 15 2257 1 1 1 THR CB C 3.399 0.487 -0.615 1.00 . A A . 1 THR CB 1 1 15 2258 1 1 1 THR CG2 C 2.983 1.220 -1.882 1.00 . A A . 1 THR CG2 1 1 15 2259 1 1 1 THR H1 H 2.448 0.064 1.728 1.00 . A A . 1 THR H1 1 1 15 2260 1 1 1 THR HA H 1.494 -0.462 -0.847 1.00 . A A . 1 THR HA 1 1 15 2261 1 1 1 THR HB H 4.369 0.039 -0.779 1.00 . A A . 1 THR HB 1 1 15 2262 1 1 1 THR HG1 H 4.172 2.066 0.279 1.00 . A A . 1 THR HG1 1 1 15 2263 1 1 1 THR HG21 H 2.187 1.913 -1.652 1.00 . A A . 1 THR HG21 1 1 15 2264 1 1 1 THR HG22 H 2.639 0.506 -2.615 1.00 . A A . 1 THR HG22 1 1 15 2265 1 1 1 THR HG23 H 3.828 1.763 -2.277 1.00 . A A . 1 THR HG23 1 1 15 2266 1 1 1 THR N N 2.034 -0.602 1.141 1.00 . A A . 1 THR N 1 1 15 2267 1 1 1 THR O O 3.074 -2.889 0.155 1.00 . A A . 1 THR O 1 1 15 2268 1 1 1 THR OG1 O 3.492 1.416 0.471 1.00 . A A . 1 THR OG1 1 1 15 2269 1 1 2 VAL C C 5.517 -3.294 -2.298 1.00 . A A . 2 VAL C 1 1 15 2270 1 1 2 VAL CA C 3.997 -3.323 -2.421 1.00 . A A . 2 VAL CA 1 1 15 2271 1 1 2 VAL CB C 3.618 -3.572 -3.893 1.00 . A A . 2 VAL CB 1 1 15 2272 1 1 2 VAL CG1 C 3.626 -5.061 -4.203 1.00 . A A . 2 VAL CG1 1 1 15 2273 1 1 2 VAL CG2 C 2.259 -2.961 -4.203 1.00 . A A . 2 VAL CG2 1 1 15 2274 1 1 2 VAL H H 3.312 -1.324 -2.527 1.00 . A A . 2 VAL H 1 1 15 2275 1 1 2 VAL HA H 3.613 -4.141 -1.830 1.00 . A A . 2 VAL HA 1 1 15 2276 1 1 2 VAL HB H 4.356 -3.092 -4.520 1.00 . A A . 2 VAL HB 1 1 15 2277 1 1 2 VAL HG11 H 4.524 -5.507 -3.801 1.00 . A A . 2 VAL HG11 1 1 15 2278 1 1 2 VAL HG12 H 2.760 -5.526 -3.756 1.00 . A A . 2 VAL HG12 1 1 15 2279 1 1 2 VAL HG13 H 3.601 -5.206 -5.273 1.00 . A A . 2 VAL HG13 1 1 15 2280 1 1 2 VAL HG21 H 1.904 -3.337 -5.151 1.00 . A A . 2 VAL HG21 1 1 15 2281 1 1 2 VAL HG22 H 1.559 -3.228 -3.425 1.00 . A A . 2 VAL HG22 1 1 15 2282 1 1 2 VAL HG23 H 2.350 -1.887 -4.253 1.00 . A A . 2 VAL HG23 1 1 15 2283 1 1 2 VAL N N 3.406 -2.088 -1.921 1.00 . A A . 2 VAL N 1 1 15 2284 1 1 2 VAL O O 6.104 -4.079 -1.553 1.00 . A A . 2 VAL O 1 1 15 2285 1 1 3 TYR C C 8.088 -1.886 -1.608 1.00 . A A . 3 TYR C 1 1 15 2286 1 1 3 TYR CA C 7.599 -2.254 -3.006 1.00 . A A . 3 TYR CA 1 1 15 2287 1 1 3 TYR CB C 8.055 -1.196 -4.012 1.00 . A A . 3 TYR CB 1 1 15 2288 1 1 3 TYR CD1 C 9.936 0.367 -3.383 1.00 . A A . 3 TYR CD1 1 1 15 2289 1 1 3 TYR CD2 C 10.499 -1.747 -4.331 1.00 . A A . 3 TYR CD2 1 1 15 2290 1 1 3 TYR CE1 C 11.277 0.685 -3.285 1.00 . A A . 3 TYR CE1 1 1 15 2291 1 1 3 TYR CE2 C 11.842 -1.437 -4.235 1.00 . A A . 3 TYR CE2 1 1 15 2292 1 1 3 TYR CG C 9.524 -0.853 -3.907 1.00 . A A . 3 TYR CG 1 1 15 2293 1 1 3 TYR CZ C 12.225 -0.220 -3.712 1.00 . A A . 3 TYR CZ 1 1 15 2294 1 1 3 TYR H H 5.624 -1.787 -3.606 1.00 . A A . 3 TYR H 1 1 15 2295 1 1 3 TYR HA H 8.023 -3.208 -3.284 1.00 . A A . 3 TYR HA 1 1 15 2296 1 1 3 TYR HB2 H 7.871 -1.557 -5.012 1.00 . A A . 3 TYR HB2 1 1 15 2297 1 1 3 TYR HB3 H 7.489 -0.290 -3.853 1.00 . A A . 3 TYR HB3 1 1 15 2298 1 1 3 TYR HD1 H 9.190 1.074 -3.049 1.00 . A A . 3 TYR HD1 1 1 15 2299 1 1 3 TYR HD2 H 10.194 -2.699 -4.741 1.00 . A A . 3 TYR HD2 1 1 15 2300 1 1 3 TYR HE1 H 11.578 1.638 -2.875 1.00 . A A . 3 TYR HE1 1 1 15 2301 1 1 3 TYR HE2 H 12.585 -2.146 -4.570 1.00 . A A . 3 TYR HE2 1 1 15 2302 1 1 3 TYR HH H 13.955 -0.400 -2.891 1.00 . A A . 3 TYR HH 1 1 15 2303 1 1 3 TYR N N 6.147 -2.384 -3.032 1.00 . A A . 3 TYR N 1 1 15 2304 1 1 3 TYR O O 9.178 -2.283 -1.195 1.00 . A A . 3 TYR O 1 1 15 2305 1 1 3 TYR OH O 13.562 0.093 -3.616 1.00 . A A . 3 TYR OH 1 1 15 2306 1 1 4 VAL C C 7.594 -1.884 1.434 1.00 . A A . 4 VAL C 1 1 15 2307 1 1 4 VAL CA C 7.620 -0.705 0.468 1.00 . A A . 4 VAL CA 1 1 15 2308 1 1 4 VAL CB C 6.661 0.386 0.980 1.00 . A A . 4 VAL CB 1 1 15 2309 1 1 4 VAL CG1 C 6.953 0.713 2.437 1.00 . A A . 4 VAL CG1 1 1 15 2310 1 1 4 VAL CG2 C 6.763 1.633 0.115 1.00 . A A . 4 VAL CG2 1 1 15 2311 1 1 4 VAL H H 6.418 -0.841 -1.269 1.00 . A A . 4 VAL H 1 1 15 2312 1 1 4 VAL HA H 8.619 -0.294 0.444 1.00 . A A . 4 VAL HA 1 1 15 2313 1 1 4 VAL HB H 5.651 0.009 0.913 1.00 . A A . 4 VAL HB 1 1 15 2314 1 1 4 VAL HG11 H 6.767 -0.161 3.045 1.00 . A A . 4 VAL HG11 1 1 15 2315 1 1 4 VAL HG12 H 7.985 1.012 2.539 1.00 . A A . 4 VAL HG12 1 1 15 2316 1 1 4 VAL HG13 H 6.310 1.518 2.760 1.00 . A A . 4 VAL HG13 1 1 15 2317 1 1 4 VAL HG21 H 6.142 2.412 0.532 1.00 . A A . 4 VAL HG21 1 1 15 2318 1 1 4 VAL HG22 H 7.790 1.970 0.086 1.00 . A A . 4 VAL HG22 1 1 15 2319 1 1 4 VAL HG23 H 6.432 1.405 -0.887 1.00 . A A . 4 VAL HG23 1 1 15 2320 1 1 4 VAL N N 7.273 -1.125 -0.884 1.00 . A A . 4 VAL N 1 1 15 2321 1 1 4 VAL O O 8.349 -1.921 2.406 1.00 . A A . 4 VAL O 1 1 15 2322 1 1 5 TYR C C 7.826 -4.916 1.889 1.00 . A A . 5 TYR C 1 1 15 2323 1 1 5 TYR CA C 6.592 -4.026 2.007 1.00 . A A . 5 TYR CA 1 1 15 2324 1 1 5 TYR CB C 5.340 -4.819 1.628 1.00 . A A . 5 TYR CB 1 1 15 2325 1 1 5 TYR CD1 C 3.479 -5.795 3.028 1.00 . A A . 5 TYR CD1 1 1 15 2326 1 1 5 TYR CD2 C 3.884 -3.450 3.172 1.00 . A A . 5 TYR CD2 1 1 15 2327 1 1 5 TYR CE1 C 2.449 -5.678 3.941 1.00 . A A . 5 TYR CE1 1 1 15 2328 1 1 5 TYR CE2 C 2.856 -3.324 4.086 1.00 . A A . 5 TYR CE2 1 1 15 2329 1 1 5 TYR CG C 4.214 -4.685 2.628 1.00 . A A . 5 TYR CG 1 1 15 2330 1 1 5 TYR CZ C 2.141 -4.441 4.468 1.00 . A A . 5 TYR CZ 1 1 15 2331 1 1 5 TYR H H 6.144 -2.759 0.372 1.00 . A A . 5 TYR H 1 1 15 2332 1 1 5 TYR HA H 6.500 -3.693 3.030 1.00 . A A . 5 TYR HA 1 1 15 2333 1 1 5 TYR HB2 H 4.978 -4.471 0.673 1.00 . A A . 5 TYR HB2 1 1 15 2334 1 1 5 TYR HB3 H 5.594 -5.866 1.552 1.00 . A A . 5 TYR HB3 1 1 15 2335 1 1 5 TYR HD1 H 3.723 -6.763 2.614 1.00 . A A . 5 TYR HD1 1 1 15 2336 1 1 5 TYR HD2 H 4.445 -2.578 2.871 1.00 . A A . 5 TYR HD2 1 1 15 2337 1 1 5 TYR HE1 H 1.889 -6.552 4.240 1.00 . A A . 5 TYR HE1 1 1 15 2338 1 1 5 TYR HE2 H 2.615 -2.356 4.498 1.00 . A A . 5 TYR HE2 1 1 15 2339 1 1 5 TYR HH H 0.878 -5.188 5.709 1.00 . A A . 5 TYR HH 1 1 15 2340 1 1 5 TYR N N 6.719 -2.846 1.161 1.00 . A A . 5 TYR N 1 1 15 2341 1 1 5 TYR O O 8.038 -5.814 2.704 1.00 . A A . 5 TYR O 1 1 15 2342 1 1 5 TYR OH O 1.116 -4.319 5.377 1.00 . A A . 5 TYR OH 1 1 15 2343 1 1 6 SER C C 10.812 -5.301 1.816 1.00 . A A . 6 SER C 1 1 15 2344 1 1 6 SER CA C 9.849 -5.438 0.640 1.00 . A A . 6 SER CA 1 1 15 2345 1 1 6 SER CB C 10.535 -4.987 -0.651 1.00 . A A . 6 SER CB 1 1 15 2346 1 1 6 SER H H 8.415 -3.930 0.252 1.00 . A A . 6 SER H 1 1 15 2347 1 1 6 SER HA H 9.564 -6.475 0.543 1.00 . A A . 6 SER HA 1 1 15 2348 1 1 6 SER HB2 H 9.800 -4.904 -1.436 1.00 . A A . 6 SER HB2 1 1 15 2349 1 1 6 SER HB3 H 11.001 -4.026 -0.491 1.00 . A A . 6 SER HB3 1 1 15 2350 1 1 6 SER HG H 12.391 -5.605 -0.766 1.00 . A A . 6 SER HG 1 1 15 2351 1 1 6 SER N N 8.638 -4.659 0.868 1.00 . A A . 6 SER N 1 1 15 2352 1 1 6 SER O O 11.715 -6.119 1.991 1.00 . A A . 6 SER O 1 1 15 2353 1 1 6 SER OG O 11.528 -5.915 -1.052 1.00 . A A . 6 SER OG 1 1 15 2354 1 1 7 ARG C C 11.019 -4.862 4.966 1.00 . A A . 7 ARG C 1 1 15 2355 1 1 7 ARG CA C 11.463 -4.015 3.777 1.00 . A A . 7 ARG CA 1 1 15 2356 1 1 7 ARG CB C 11.432 -2.533 4.153 1.00 . A A . 7 ARG CB 1 1 15 2357 1 1 7 ARG CD C 9.878 -0.622 4.652 1.00 . A A . 7 ARG CD 1 1 15 2358 1 1 7 ARG CG C 10.148 -2.106 4.845 1.00 . A A . 7 ARG CG 1 1 15 2359 1 1 7 ARG CZ C 10.016 1.448 5.971 1.00 . A A . 7 ARG CZ 1 1 15 2360 1 1 7 ARG H H 9.876 -3.644 2.427 1.00 . A A . 7 ARG H 1 1 15 2361 1 1 7 ARG HA H 12.473 -4.290 3.511 1.00 . A A . 7 ARG HA 1 1 15 2362 1 1 7 ARG HB2 H 12.259 -2.325 4.816 1.00 . A A . 7 ARG HB2 1 1 15 2363 1 1 7 ARG HB3 H 11.545 -1.944 3.255 1.00 . A A . 7 ARG HB3 1 1 15 2364 1 1 7 ARG HD2 H 10.400 -0.286 3.768 1.00 . A A . 7 ARG HD2 1 1 15 2365 1 1 7 ARG HD3 H 8.816 -0.477 4.520 1.00 . A A . 7 ARG HD3 1 1 15 2366 1 1 7 ARG HE H 10.887 -0.277 6.464 1.00 . A A . 7 ARG HE 1 1 15 2367 1 1 7 ARG HG2 H 9.323 -2.667 4.431 1.00 . A A . 7 ARG HG2 1 1 15 2368 1 1 7 ARG HG3 H 10.233 -2.314 5.901 1.00 . A A . 7 ARG HG3 1 1 15 2369 1 1 7 ARG HH11 H 8.921 1.589 4.279 1.00 . A A . 7 ARG HH11 1 1 15 2370 1 1 7 ARG HH12 H 9.026 3.042 5.218 1.00 . A A . 7 ARG HH12 1 1 15 2371 1 1 7 ARG HH21 H 11.033 1.629 7.709 1.00 . A A . 7 ARG HH21 1 1 15 2372 1 1 7 ARG HH22 H 10.228 3.063 7.168 1.00 . A A . 7 ARG HH22 1 1 15 2373 1 1 7 ARG N N 10.612 -4.261 2.618 1.00 . A A . 7 ARG N 1 1 15 2374 1 1 7 ARG NE N 10.327 0.169 5.795 1.00 . A A . 7 ARG NE 1 1 15 2375 1 1 7 ARG NH1 N 9.259 2.078 5.083 1.00 . A A . 7 ARG NH1 1 1 15 2376 1 1 7 ARG NH2 N 10.462 2.100 7.037 1.00 . A A . 7 ARG NH2 1 1 15 2377 1 1 7 ARG O O 11.833 -5.242 5.809 1.00 . A A . 7 ARG O 1 1 15 2378 1 1 8 VAL C C 9.633 -7.405 6.015 1.00 . A A . 8 VAL C 1 1 15 2379 1 1 8 VAL CA C 9.172 -5.955 6.114 1.00 . A A . 8 VAL CA 1 1 15 2380 1 1 8 VAL CB C 7.632 -5.916 6.114 1.00 . A A . 8 VAL CB 1 1 15 2381 1 1 8 VAL CG1 C 7.074 -6.866 7.163 1.00 . A A . 8 VAL CG1 1 1 15 2382 1 1 8 VAL CG2 C 7.136 -4.497 6.349 1.00 . A A . 8 VAL CG2 1 1 15 2383 1 1 8 VAL H H 9.125 -4.821 4.327 1.00 . A A . 8 VAL H 1 1 15 2384 1 1 8 VAL HA H 9.522 -5.539 7.048 1.00 . A A . 8 VAL HA 1 1 15 2385 1 1 8 VAL HB H 7.284 -6.241 5.144 1.00 . A A . 8 VAL HB 1 1 15 2386 1 1 8 VAL HG11 H 7.348 -7.880 6.912 1.00 . A A . 8 VAL HG11 1 1 15 2387 1 1 8 VAL HG12 H 7.478 -6.611 8.131 1.00 . A A . 8 VAL HG12 1 1 15 2388 1 1 8 VAL HG13 H 5.997 -6.781 7.188 1.00 . A A . 8 VAL HG13 1 1 15 2389 1 1 8 VAL HG21 H 7.193 -3.939 5.426 1.00 . A A . 8 VAL HG21 1 1 15 2390 1 1 8 VAL HG22 H 6.110 -4.526 6.689 1.00 . A A . 8 VAL HG22 1 1 15 2391 1 1 8 VAL HG23 H 7.749 -4.020 7.098 1.00 . A A . 8 VAL HG23 1 1 15 2392 1 1 8 VAL N N 9.724 -5.153 5.029 1.00 . A A . 8 VAL N 1 1 15 2393 1 1 8 VAL O O 10.456 -7.862 6.808 1.00 . A A . 8 VAL O 1 1 15 2394 1 1 9 LYS C C 9.217 -10.337 6.099 1.00 . A A . 9 LYS C 1 1 15 2395 1 1 9 LYS CA C 9.452 -9.524 4.831 1.00 . A A . 9 LYS CA 1 1 15 2396 1 1 9 LYS CB C 10.917 -9.641 4.402 1.00 . A A . 9 LYS CB 1 1 15 2397 1 1 9 LYS CD C 10.511 -10.324 2.018 1.00 . A A . 9 LYS CD 1 1 15 2398 1 1 9 LYS CE C 11.545 -11.284 1.450 1.00 . A A . 9 LYS CE 1 1 15 2399 1 1 9 LYS CG C 11.151 -9.299 2.940 1.00 . A A . 9 LYS CG 1 1 15 2400 1 1 9 LYS H H 8.444 -7.705 4.436 1.00 . A A . 9 LYS H 1 1 15 2401 1 1 9 LYS HA H 8.824 -9.915 4.045 1.00 . A A . 9 LYS HA 1 1 15 2402 1 1 9 LYS HB2 H 11.511 -8.972 5.006 1.00 . A A . 9 LYS HB2 1 1 15 2403 1 1 9 LYS HB3 H 11.249 -10.655 4.570 1.00 . A A . 9 LYS HB3 1 1 15 2404 1 1 9 LYS HD2 H 9.779 -10.889 2.576 1.00 . A A . 9 LYS HD2 1 1 15 2405 1 1 9 LYS HD3 H 10.025 -9.807 1.203 1.00 . A A . 9 LYS HD3 1 1 15 2406 1 1 9 LYS HE2 H 12.061 -11.763 2.267 1.00 . A A . 9 LYS HE2 1 1 15 2407 1 1 9 LYS HE3 H 11.035 -12.031 0.859 1.00 . A A . 9 LYS HE3 1 1 15 2408 1 1 9 LYS HG2 H 10.725 -8.329 2.734 1.00 . A A . 9 LYS HG2 1 1 15 2409 1 1 9 LYS HG3 H 12.216 -9.275 2.753 1.00 . A A . 9 LYS HG3 1 1 15 2410 1 1 9 LYS HZ1 H 12.054 -9.946 -0.071 1.00 . A A . 9 LYS HZ1 1 1 15 2411 1 1 9 LYS HZ2 H 13.092 -11.276 0.047 1.00 . A A . 9 LYS HZ2 1 1 15 2412 1 1 9 LYS HZ3 H 13.189 -10.025 1.181 1.00 . A A . 9 LYS HZ3 1 1 15 2413 1 1 9 LYS N N 9.096 -8.125 5.036 1.00 . A A . 9 LYS N 1 1 15 2414 1 1 9 LYS NZ N 12.540 -10.584 0.592 1.00 . A A . 9 LYS NZ 1 1 15 2415 1 1 9 LYS O O 8.096 -10.766 6.374 1.00 . A A . 9 LYS O 1 1 16 2416 1 1 1 THR C C 3.173 -2.376 -0.638 1.00 . A A . 1 THR C 1 1 16 2417 1 1 1 THR CA C 2.353 -1.125 -0.343 1.00 . A A . 1 THR CA 1 1 16 2418 1 1 1 THR CB C 3.114 0.109 -0.861 1.00 . A A . 1 THR CB 1 1 16 2419 1 1 1 THR CG2 C 2.550 0.571 -2.196 1.00 . A A . 1 THR CG2 1 1 16 2420 1 1 1 THR H1 H 2.739 -0.630 1.679 1.00 . A A . 1 THR H1 1 1 16 2421 1 1 1 THR HA H 1.412 -1.190 -0.871 1.00 . A A . 1 THR HA 1 1 16 2422 1 1 1 THR HB H 4.152 -0.159 -0.999 1.00 . A A . 1 THR HB 1 1 16 2423 1 1 1 THR HG1 H 3.733 1.807 -0.071 1.00 . A A . 1 THR HG1 1 1 16 2424 1 1 1 THR HG21 H 2.644 1.644 -2.275 1.00 . A A . 1 THR HG21 1 1 16 2425 1 1 1 THR HG22 H 1.508 0.295 -2.262 1.00 . A A . 1 THR HG22 1 1 16 2426 1 1 1 THR HG23 H 3.098 0.103 -3.000 1.00 . A A . 1 THR HG23 1 1 16 2427 1 1 1 THR N N 2.062 -1.011 1.081 1.00 . A A . 1 THR N 1 1 16 2428 1 1 1 THR O O 3.401 -3.203 0.245 1.00 . A A . 1 THR O 1 1 16 2429 1 1 1 THR OG1 O 3.030 1.174 0.093 1.00 . A A . 1 THR OG1 1 1 16 2430 1 1 2 VAL C C 5.903 -3.372 -2.148 1.00 . A A . 2 VAL C 1 1 16 2431 1 1 2 VAL CA C 4.413 -3.656 -2.295 1.00 . A A . 2 VAL CA 1 1 16 2432 1 1 2 VAL CB C 4.118 -4.051 -3.755 1.00 . A A . 2 VAL CB 1 1 16 2433 1 1 2 VAL CG1 C 4.376 -5.535 -3.969 1.00 . A A . 2 VAL CG1 1 1 16 2434 1 1 2 VAL CG2 C 2.688 -3.691 -4.125 1.00 . A A . 2 VAL CG2 1 1 16 2435 1 1 2 VAL H H 3.401 -1.814 -2.543 1.00 . A A . 2 VAL H 1 1 16 2436 1 1 2 VAL HA H 4.151 -4.490 -1.659 1.00 . A A . 2 VAL HA 1 1 16 2437 1 1 2 VAL HB H 4.785 -3.496 -4.398 1.00 . A A . 2 VAL HB 1 1 16 2438 1 1 2 VAL HG11 H 4.461 -5.736 -5.027 1.00 . A A . 2 VAL HG11 1 1 16 2439 1 1 2 VAL HG12 H 5.293 -5.817 -3.473 1.00 . A A . 2 VAL HG12 1 1 16 2440 1 1 2 VAL HG13 H 3.554 -6.105 -3.561 1.00 . A A . 2 VAL HG13 1 1 16 2441 1 1 2 VAL HG21 H 2.424 -4.175 -5.054 1.00 . A A . 2 VAL HG21 1 1 16 2442 1 1 2 VAL HG22 H 2.019 -4.022 -3.344 1.00 . A A . 2 VAL HG22 1 1 16 2443 1 1 2 VAL HG23 H 2.604 -2.620 -4.240 1.00 . A A . 2 VAL HG23 1 1 16 2444 1 1 2 VAL N N 3.616 -2.507 -1.884 1.00 . A A . 2 VAL N 1 1 16 2445 1 1 2 VAL O O 6.591 -4.004 -1.346 1.00 . A A . 2 VAL O 1 1 16 2446 1 1 3 TYR C C 8.207 -1.580 -1.490 1.00 . A A . 3 TYR C 1 1 16 2447 1 1 3 TYR CA C 7.808 -2.049 -2.886 1.00 . A A . 3 TYR CA 1 1 16 2448 1 1 3 TYR CB C 8.101 -0.950 -3.909 1.00 . A A . 3 TYR CB 1 1 16 2449 1 1 3 TYR CD1 C 10.404 -1.803 -4.494 1.00 . A A . 3 TYR CD1 1 1 16 2450 1 1 3 TYR CD2 C 10.141 0.528 -4.073 1.00 . A A . 3 TYR CD2 1 1 16 2451 1 1 3 TYR CE1 C 11.753 -1.613 -4.726 1.00 . A A . 3 TYR CE1 1 1 16 2452 1 1 3 TYR CE2 C 11.488 0.727 -4.305 1.00 . A A . 3 TYR CE2 1 1 16 2453 1 1 3 TYR CG C 9.576 -0.737 -4.163 1.00 . A A . 3 TYR CG 1 1 16 2454 1 1 3 TYR CZ C 12.290 -0.346 -4.631 1.00 . A A . 3 TYR CZ 1 1 16 2455 1 1 3 TYR H H 5.800 -1.948 -3.547 1.00 . A A . 3 TYR H 1 1 16 2456 1 1 3 TYR HA H 8.387 -2.925 -3.138 1.00 . A A . 3 TYR HA 1 1 16 2457 1 1 3 TYR HB2 H 7.637 -1.209 -4.848 1.00 . A A . 3 TYR HB2 1 1 16 2458 1 1 3 TYR HB3 H 7.687 -0.018 -3.554 1.00 . A A . 3 TYR HB3 1 1 16 2459 1 1 3 TYR HD1 H 9.981 -2.794 -4.567 1.00 . A A . 3 TYR HD1 1 1 16 2460 1 1 3 TYR HD2 H 9.510 1.367 -3.816 1.00 . A A . 3 TYR HD2 1 1 16 2461 1 1 3 TYR HE1 H 12.381 -2.454 -4.982 1.00 . A A . 3 TYR HE1 1 1 16 2462 1 1 3 TYR HE2 H 11.909 1.719 -4.230 1.00 . A A . 3 TYR HE2 1 1 16 2463 1 1 3 TYR HH H 14.143 -0.662 -4.229 1.00 . A A . 3 TYR HH 1 1 16 2464 1 1 3 TYR N N 6.397 -2.417 -2.927 1.00 . A A . 3 TYR N 1 1 16 2465 1 1 3 TYR O O 9.338 -1.790 -1.052 1.00 . A A . 3 TYR O 1 1 16 2466 1 1 3 TYR OH O 13.632 -0.153 -4.862 1.00 . A A . 3 TYR OH 1 1 16 2467 1 1 4 VAL C C 7.655 -1.591 1.545 1.00 . A A . 4 VAL C 1 1 16 2468 1 1 4 VAL CA C 7.521 -0.444 0.551 1.00 . A A . 4 VAL CA 1 1 16 2469 1 1 4 VAL CB C 6.397 0.499 1.019 1.00 . A A . 4 VAL CB 1 1 16 2470 1 1 4 VAL CG1 C 6.603 0.894 2.474 1.00 . A A . 4 VAL CG1 1 1 16 2471 1 1 4 VAL CG2 C 6.328 1.730 0.128 1.00 . A A . 4 VAL CG2 1 1 16 2472 1 1 4 VAL H H 6.387 -0.805 -1.199 1.00 . A A . 4 VAL H 1 1 16 2473 1 1 4 VAL HA H 8.446 0.114 0.533 1.00 . A A . 4 VAL HA 1 1 16 2474 1 1 4 VAL HB H 5.457 -0.028 0.943 1.00 . A A . 4 VAL HB 1 1 16 2475 1 1 4 VAL HG11 H 5.842 1.603 2.765 1.00 . A A . 4 VAL HG11 1 1 16 2476 1 1 4 VAL HG12 H 6.537 0.016 3.099 1.00 . A A . 4 VAL HG12 1 1 16 2477 1 1 4 VAL HG13 H 7.577 1.346 2.589 1.00 . A A . 4 VAL HG13 1 1 16 2478 1 1 4 VAL HG21 H 7.314 1.952 -0.253 1.00 . A A . 4 VAL HG21 1 1 16 2479 1 1 4 VAL HG22 H 5.657 1.540 -0.698 1.00 . A A . 4 VAL HG22 1 1 16 2480 1 1 4 VAL HG23 H 5.965 2.570 0.701 1.00 . A A . 4 VAL HG23 1 1 16 2481 1 1 4 VAL N N 7.269 -0.942 -0.796 1.00 . A A . 4 VAL N 1 1 16 2482 1 1 4 VAL O O 8.403 -1.499 2.519 1.00 . A A . 4 VAL O 1 1 16 2483 1 1 5 TYR C C 8.280 -4.591 2.021 1.00 . A A . 5 TYR C 1 1 16 2484 1 1 5 TYR CA C 6.961 -3.839 2.168 1.00 . A A . 5 TYR CA 1 1 16 2485 1 1 5 TYR CB C 5.790 -4.773 1.856 1.00 . A A . 5 TYR CB 1 1 16 2486 1 1 5 TYR CD1 C 4.048 -5.839 3.340 1.00 . A A . 5 TYR CD1 1 1 16 2487 1 1 5 TYR CD2 C 4.214 -3.461 3.329 1.00 . A A . 5 TYR CD2 1 1 16 2488 1 1 5 TYR CE1 C 3.018 -5.768 4.258 1.00 . A A . 5 TYR CE1 1 1 16 2489 1 1 5 TYR CE2 C 3.185 -3.381 4.248 1.00 . A A . 5 TYR CE2 1 1 16 2490 1 1 5 TYR CG C 4.664 -4.689 2.860 1.00 . A A . 5 TYR CG 1 1 16 2491 1 1 5 TYR CZ C 2.590 -4.536 4.709 1.00 . A A . 5 TYR CZ 1 1 16 2492 1 1 5 TYR H H 6.348 -2.687 0.502 1.00 . A A . 5 TYR H 1 1 16 2493 1 1 5 TYR HA H 6.869 -3.492 3.187 1.00 . A A . 5 TYR HA 1 1 16 2494 1 1 5 TYR HB2 H 5.388 -4.523 0.886 1.00 . A A . 5 TYR HB2 1 1 16 2495 1 1 5 TYR HB3 H 6.147 -5.792 1.840 1.00 . A A . 5 TYR HB3 1 1 16 2496 1 1 5 TYR HD1 H 4.385 -6.802 2.985 1.00 . A A . 5 TYR HD1 1 1 16 2497 1 1 5 TYR HD2 H 4.682 -2.558 2.966 1.00 . A A . 5 TYR HD2 1 1 16 2498 1 1 5 TYR HE1 H 2.552 -6.672 4.619 1.00 . A A . 5 TYR HE1 1 1 16 2499 1 1 5 TYR HE2 H 2.850 -2.416 4.601 1.00 . A A . 5 TYR HE2 1 1 16 2500 1 1 5 TYR HH H 0.823 -3.991 5.233 1.00 . A A . 5 TYR HH 1 1 16 2501 1 1 5 TYR N N 6.925 -2.673 1.294 1.00 . A A . 5 TYR N 1 1 16 2502 1 1 5 TYR O O 8.619 -5.440 2.845 1.00 . A A . 5 TYR O 1 1 16 2503 1 1 5 TYR OH O 1.564 -4.460 5.623 1.00 . A A . 5 TYR OH 1 1 16 2504 1 1 6 SER C C 11.317 -4.566 1.787 1.00 . A A . 6 SER C 1 1 16 2505 1 1 6 SER CA C 10.301 -4.919 0.704 1.00 . A A . 6 SER CA 1 1 16 2506 1 1 6 SER CB C 10.837 -4.505 -0.668 1.00 . A A . 6 SER CB 1 1 16 2507 1 1 6 SER H H 8.695 -3.587 0.342 1.00 . A A . 6 SER H 1 1 16 2508 1 1 6 SER HA H 10.141 -5.987 0.712 1.00 . A A . 6 SER HA 1 1 16 2509 1 1 6 SER HB2 H 10.070 -3.965 -1.203 1.00 . A A . 6 SER HB2 1 1 16 2510 1 1 6 SER HB3 H 11.701 -3.870 -0.537 1.00 . A A . 6 SER HB3 1 1 16 2511 1 1 6 SER HG H 11.135 -5.436 -2.366 1.00 . A A . 6 SER HG 1 1 16 2512 1 1 6 SER N N 9.020 -4.272 0.964 1.00 . A A . 6 SER N 1 1 16 2513 1 1 6 SER O O 12.325 -5.252 1.955 1.00 . A A . 6 SER O 1 1 16 2514 1 1 6 SER OG O 11.213 -5.639 -1.431 1.00 . A A . 6 SER OG 1 1 16 2515 1 1 7 ARG C C 11.917 -4.027 4.751 1.00 . A A . 7 ARG C 1 1 16 2516 1 1 7 ARG CA C 11.933 -3.044 3.584 1.00 . A A . 7 ARG CA 1 1 16 2517 1 1 7 ARG CB C 11.524 -1.652 4.069 1.00 . A A . 7 ARG CB 1 1 16 2518 1 1 7 ARG CD C 9.742 -0.243 5.143 1.00 . A A . 7 ARG CD 1 1 16 2519 1 1 7 ARG CG C 10.276 -1.652 4.937 1.00 . A A . 7 ARG CG 1 1 16 2520 1 1 7 ARG CZ C 8.281 0.919 6.742 1.00 . A A . 7 ARG CZ 1 1 16 2521 1 1 7 ARG H H 10.224 -2.984 2.337 1.00 . A A . 7 ARG H 1 1 16 2522 1 1 7 ARG HA H 12.934 -2.997 3.182 1.00 . A A . 7 ARG HA 1 1 16 2523 1 1 7 ARG HB2 H 12.336 -1.232 4.644 1.00 . A A . 7 ARG HB2 1 1 16 2524 1 1 7 ARG HB3 H 11.339 -1.025 3.210 1.00 . A A . 7 ARG HB3 1 1 16 2525 1 1 7 ARG HD2 H 10.556 0.394 5.457 1.00 . A A . 7 ARG HD2 1 1 16 2526 1 1 7 ARG HD3 H 9.344 0.117 4.207 1.00 . A A . 7 ARG HD3 1 1 16 2527 1 1 7 ARG HE H 8.268 -1.047 6.408 1.00 . A A . 7 ARG HE 1 1 16 2528 1 1 7 ARG HG2 H 9.514 -2.247 4.456 1.00 . A A . 7 ARG HG2 1 1 16 2529 1 1 7 ARG HG3 H 10.518 -2.081 5.898 1.00 . A A . 7 ARG HG3 1 1 16 2530 1 1 7 ARG HH11 H 9.558 2.116 5.733 1.00 . A A . 7 ARG HH11 1 1 16 2531 1 1 7 ARG HH12 H 8.522 2.922 6.863 1.00 . A A . 7 ARG HH12 1 1 16 2532 1 1 7 ARG HH21 H 6.899 0.004 7.899 1.00 . A A . 7 ARG HH21 1 1 16 2533 1 1 7 ARG HH22 H 7.011 1.720 8.096 1.00 . A A . 7 ARG HH22 1 1 16 2534 1 1 7 ARG N N 11.043 -3.490 2.518 1.00 . A A . 7 ARG N 1 1 16 2535 1 1 7 ARG NE N 8.690 -0.200 6.155 1.00 . A A . 7 ARG NE 1 1 16 2536 1 1 7 ARG NH1 N 8.833 2.081 6.420 1.00 . A A . 7 ARG NH1 1 1 16 2537 1 1 7 ARG NH2 N 7.318 0.878 7.654 1.00 . A A . 7 ARG NH2 1 1 16 2538 1 1 7 ARG O O 12.911 -4.178 5.462 1.00 . A A . 7 ARG O 1 1 16 2539 1 1 8 VAL C C 11.488 -6.899 5.770 1.00 . A A . 8 VAL C 1 1 16 2540 1 1 8 VAL CA C 10.638 -5.659 6.025 1.00 . A A . 8 VAL CA 1 1 16 2541 1 1 8 VAL CB C 9.169 -6.086 6.203 1.00 . A A . 8 VAL CB 1 1 16 2542 1 1 8 VAL CG1 C 9.056 -7.192 7.241 1.00 . A A . 8 VAL CG1 1 1 16 2543 1 1 8 VAL CG2 C 8.310 -4.891 6.589 1.00 . A A . 8 VAL CG2 1 1 16 2544 1 1 8 VAL H H 10.025 -4.528 4.344 1.00 . A A . 8 VAL H 1 1 16 2545 1 1 8 VAL HA H 10.968 -5.190 6.940 1.00 . A A . 8 VAL HA 1 1 16 2546 1 1 8 VAL HB H 8.810 -6.471 5.259 1.00 . A A . 8 VAL HB 1 1 16 2547 1 1 8 VAL HG11 H 9.584 -8.068 6.893 1.00 . A A . 8 VAL HG11 1 1 16 2548 1 1 8 VAL HG12 H 9.486 -6.857 8.173 1.00 . A A . 8 VAL HG12 1 1 16 2549 1 1 8 VAL HG13 H 8.015 -7.438 7.392 1.00 . A A . 8 VAL HG13 1 1 16 2550 1 1 8 VAL HG21 H 7.413 -5.238 7.081 1.00 . A A . 8 VAL HG21 1 1 16 2551 1 1 8 VAL HG22 H 8.864 -4.251 7.260 1.00 . A A . 8 VAL HG22 1 1 16 2552 1 1 8 VAL HG23 H 8.044 -4.337 5.702 1.00 . A A . 8 VAL HG23 1 1 16 2553 1 1 8 VAL N N 10.783 -4.692 4.944 1.00 . A A . 8 VAL N 1 1 16 2554 1 1 8 VAL O O 12.506 -7.113 6.429 1.00 . A A . 8 VAL O 1 1 16 2555 1 1 9 LYS C C 12.872 -8.647 3.430 1.00 . A A . 9 LYS C 1 1 16 2556 1 1 9 LYS CA C 11.788 -8.931 4.465 1.00 . A A . 9 LYS CA 1 1 16 2557 1 1 9 LYS CB C 10.820 -9.988 3.928 1.00 . A A . 9 LYS CB 1 1 16 2558 1 1 9 LYS CD C 8.790 -10.286 2.479 1.00 . A A . 9 LYS CD 1 1 16 2559 1 1 9 LYS CE C 8.776 -11.172 1.242 1.00 . A A . 9 LYS CE 1 1 16 2560 1 1 9 LYS CG C 10.125 -9.579 2.641 1.00 . A A . 9 LYS CG 1 1 16 2561 1 1 9 LYS H H 10.246 -7.488 4.319 1.00 . A A . 9 LYS H 1 1 16 2562 1 1 9 LYS HA H 12.254 -9.306 5.363 1.00 . A A . 9 LYS HA 1 1 16 2563 1 1 9 LYS HB2 H 11.369 -10.900 3.742 1.00 . A A . 9 LYS HB2 1 1 16 2564 1 1 9 LYS HB3 H 10.064 -10.180 4.675 1.00 . A A . 9 LYS HB3 1 1 16 2565 1 1 9 LYS HD2 H 8.610 -10.900 3.349 1.00 . A A . 9 LYS HD2 1 1 16 2566 1 1 9 LYS HD3 H 8.009 -9.545 2.390 1.00 . A A . 9 LYS HD3 1 1 16 2567 1 1 9 LYS HE2 H 9.474 -10.774 0.522 1.00 . A A . 9 LYS HE2 1 1 16 2568 1 1 9 LYS HE3 H 9.079 -12.169 1.526 1.00 . A A . 9 LYS HE3 1 1 16 2569 1 1 9 LYS HG2 H 9.956 -8.513 2.657 1.00 . A A . 9 LYS HG2 1 1 16 2570 1 1 9 LYS HG3 H 10.760 -9.831 1.803 1.00 . A A . 9 LYS HG3 1 1 16 2571 1 1 9 LYS HZ1 H 6.736 -11.617 1.301 1.00 . A A . 9 LYS HZ1 1 1 16 2572 1 1 9 LYS HZ2 H 7.443 -11.850 -0.217 1.00 . A A . 9 LYS HZ2 1 1 16 2573 1 1 9 LYS HZ3 H 7.118 -10.284 0.333 1.00 . A A . 9 LYS HZ3 1 1 16 2574 1 1 9 LYS N N 11.065 -7.713 4.809 1.00 . A A . 9 LYS N 1 1 16 2575 1 1 9 LYS NZ N 7.423 -11.235 0.621 1.00 . A A . 9 LYS NZ 1 1 16 2576 1 1 9 LYS O O 13.982 -8.240 3.775 1.00 . A A . 9 LYS O 1 1 17 2577 1 1 1 THR C C 3.204 -2.144 -0.969 1.00 . A A . 1 THR C 1 1 17 2578 1 1 1 THR CA C 2.277 -0.939 -0.865 1.00 . A A . 1 THR CA 1 1 17 2579 1 1 1 THR CB C 3.045 0.233 -0.226 1.00 . A A . 1 THR CB 1 1 17 2580 1 1 1 THR CG2 C 3.085 0.093 1.288 1.00 . A A . 1 THR CG2 1 1 17 2581 1 1 1 THR H1 H 0.351 -0.607 -0.053 1.00 . A A . 1 THR H1 1 1 17 2582 1 1 1 THR HA H 1.973 -0.644 -1.859 1.00 . A A . 1 THR HA 1 1 17 2583 1 1 1 THR HB H 2.538 1.154 -0.475 1.00 . A A . 1 THR HB 1 1 17 2584 1 1 1 THR HG1 H 4.353 0.449 -1.687 1.00 . A A . 1 THR HG1 1 1 17 2585 1 1 1 THR HG21 H 3.641 0.916 1.711 1.00 . A A . 1 THR HG21 1 1 17 2586 1 1 1 THR HG22 H 3.565 -0.838 1.550 1.00 . A A . 1 THR HG22 1 1 17 2587 1 1 1 THR HG23 H 2.078 0.101 1.676 1.00 . A A . 1 THR HG23 1 1 17 2588 1 1 1 THR N N 1.076 -1.264 -0.106 1.00 . A A . 1 THR N 1 1 17 2589 1 1 1 THR O O 3.318 -2.935 -0.032 1.00 . A A . 1 THR O 1 1 17 2590 1 1 1 THR OG1 O 4.381 0.282 -0.741 1.00 . A A . 1 THR OG1 1 1 17 2591 1 1 2 VAL C C 6.221 -2.987 -2.008 1.00 . A A . 2 VAL C 1 1 17 2592 1 1 2 VAL CA C 4.787 -3.387 -2.338 1.00 . A A . 2 VAL CA 1 1 17 2593 1 1 2 VAL CB C 4.727 -3.879 -3.797 1.00 . A A . 2 VAL CB 1 1 17 2594 1 1 2 VAL CG1 C 5.104 -5.350 -3.880 1.00 . A A . 2 VAL CG1 1 1 17 2595 1 1 2 VAL CG2 C 3.343 -3.642 -4.381 1.00 . A A . 2 VAL CG2 1 1 17 2596 1 1 2 VAL H H 3.735 -1.616 -2.823 1.00 . A A . 2 VAL H 1 1 17 2597 1 1 2 VAL HA H 4.493 -4.202 -1.693 1.00 . A A . 2 VAL HA 1 1 17 2598 1 1 2 VAL HB H 5.441 -3.314 -4.376 1.00 . A A . 2 VAL HB 1 1 17 2599 1 1 2 VAL HG11 H 4.688 -5.877 -3.034 1.00 . A A . 2 VAL HG11 1 1 17 2600 1 1 2 VAL HG12 H 4.715 -5.771 -4.795 1.00 . A A . 2 VAL HG12 1 1 17 2601 1 1 2 VAL HG13 H 6.180 -5.446 -3.868 1.00 . A A . 2 VAL HG13 1 1 17 2602 1 1 2 VAL HG21 H 2.594 -3.981 -3.681 1.00 . A A . 2 VAL HG21 1 1 17 2603 1 1 2 VAL HG22 H 3.207 -2.587 -4.570 1.00 . A A . 2 VAL HG22 1 1 17 2604 1 1 2 VAL HG23 H 3.244 -4.188 -5.307 1.00 . A A . 2 VAL HG23 1 1 17 2605 1 1 2 VAL N N 3.867 -2.278 -2.113 1.00 . A A . 2 VAL N 1 1 17 2606 1 1 2 VAL O O 6.831 -3.530 -1.086 1.00 . A A . 2 VAL O 1 1 17 2607 1 1 3 TYR C C 8.344 -1.189 -1.092 1.00 . A A . 3 TYR C 1 1 17 2608 1 1 3 TYR CA C 8.116 -1.563 -2.554 1.00 . A A . 3 TYR CA 1 1 17 2609 1 1 3 TYR CB C 8.406 -0.357 -3.451 1.00 . A A . 3 TYR CB 1 1 17 2610 1 1 3 TYR CD1 C 9.063 -0.816 -5.845 1.00 . A A . 3 TYR CD1 1 1 17 2611 1 1 3 TYR CD2 C 10.790 -0.710 -4.205 1.00 . A A . 3 TYR CD2 1 1 17 2612 1 1 3 TYR CE1 C 10.003 -1.068 -6.826 1.00 . A A . 3 TYR CE1 1 1 17 2613 1 1 3 TYR CE2 C 11.737 -0.960 -5.179 1.00 . A A . 3 TYR CE2 1 1 17 2614 1 1 3 TYR CG C 9.439 -0.632 -4.520 1.00 . A A . 3 TYR CG 1 1 17 2615 1 1 3 TYR CZ C 11.339 -1.139 -6.488 1.00 . A A . 3 TYR CZ 1 1 17 2616 1 1 3 TYR H H 6.217 -1.640 -3.485 1.00 . A A . 3 TYR H 1 1 17 2617 1 1 3 TYR HA H 8.790 -2.365 -2.818 1.00 . A A . 3 TYR HA 1 1 17 2618 1 1 3 TYR HB2 H 7.494 -0.055 -3.942 1.00 . A A . 3 TYR HB2 1 1 17 2619 1 1 3 TYR HB3 H 8.768 0.457 -2.841 1.00 . A A . 3 TYR HB3 1 1 17 2620 1 1 3 TYR HD1 H 8.016 -0.760 -6.107 1.00 . A A . 3 TYR HD1 1 1 17 2621 1 1 3 TYR HD2 H 11.098 -0.570 -3.179 1.00 . A A . 3 TYR HD2 1 1 17 2622 1 1 3 TYR HE1 H 9.692 -1.208 -7.850 1.00 . A A . 3 TYR HE1 1 1 17 2623 1 1 3 TYR HE2 H 12.783 -1.016 -4.915 1.00 . A A . 3 TYR HE2 1 1 17 2624 1 1 3 TYR HH H 13.148 -1.455 -7.057 1.00 . A A . 3 TYR HH 1 1 17 2625 1 1 3 TYR N N 6.753 -2.034 -2.765 1.00 . A A . 3 TYR N 1 1 17 2626 1 1 3 TYR O O 9.244 -1.715 -0.438 1.00 . A A . 3 TYR O 1 1 17 2627 1 1 3 TYR OH O 12.279 -1.390 -7.461 1.00 . A A . 3 TYR OH 1 1 17 2628 1 1 4 VAL C C 7.496 -1.007 1.763 1.00 . A A . 4 VAL C 1 1 17 2629 1 1 4 VAL CA C 7.627 0.166 0.798 1.00 . A A . 4 VAL CA 1 1 17 2630 1 1 4 VAL CB C 6.554 1.218 1.136 1.00 . A A . 4 VAL CB 1 1 17 2631 1 1 4 VAL CG1 C 6.812 1.824 2.507 1.00 . A A . 4 VAL CG1 1 1 17 2632 1 1 4 VAL CG2 C 6.511 2.298 0.066 1.00 . A A . 4 VAL CG2 1 1 17 2633 1 1 4 VAL H H 6.821 0.105 -1.158 1.00 . A A . 4 VAL H 1 1 17 2634 1 1 4 VAL HA H 8.599 0.620 0.929 1.00 . A A . 4 VAL HA 1 1 17 2635 1 1 4 VAL HB H 5.592 0.726 1.160 1.00 . A A . 4 VAL HB 1 1 17 2636 1 1 4 VAL HG11 H 6.335 2.791 2.569 1.00 . A A . 4 VAL HG11 1 1 17 2637 1 1 4 VAL HG12 H 6.411 1.173 3.270 1.00 . A A . 4 VAL HG12 1 1 17 2638 1 1 4 VAL HG13 H 7.876 1.938 2.655 1.00 . A A . 4 VAL HG13 1 1 17 2639 1 1 4 VAL HG21 H 7.342 2.166 -0.611 1.00 . A A . 4 VAL HG21 1 1 17 2640 1 1 4 VAL HG22 H 5.584 2.225 -0.484 1.00 . A A . 4 VAL HG22 1 1 17 2641 1 1 4 VAL HG23 H 6.577 3.270 0.532 1.00 . A A . 4 VAL HG23 1 1 17 2642 1 1 4 VAL N N 7.519 -0.277 -0.586 1.00 . A A . 4 VAL N 1 1 17 2643 1 1 4 VAL O O 7.960 -0.943 2.902 1.00 . A A . 4 VAL O 1 1 17 2644 1 1 5 TYR C C 7.830 -4.238 1.960 1.00 . A A . 5 TYR C 1 1 17 2645 1 1 5 TYR CA C 6.666 -3.266 2.123 1.00 . A A . 5 TYR CA 1 1 17 2646 1 1 5 TYR CB C 5.353 -3.958 1.753 1.00 . A A . 5 TYR CB 1 1 17 2647 1 1 5 TYR CD1 C 4.865 -5.195 3.900 1.00 . A A . 5 TYR CD1 1 1 17 2648 1 1 5 TYR CD2 C 5.095 -6.466 1.897 1.00 . A A . 5 TYR CD2 1 1 17 2649 1 1 5 TYR CE1 C 4.634 -6.355 4.615 1.00 . A A . 5 TYR CE1 1 1 17 2650 1 1 5 TYR CE2 C 4.863 -7.630 2.603 1.00 . A A . 5 TYR CE2 1 1 17 2651 1 1 5 TYR CG C 5.100 -5.230 2.531 1.00 . A A . 5 TYR CG 1 1 17 2652 1 1 5 TYR CZ C 4.633 -7.570 3.961 1.00 . A A . 5 TYR CZ 1 1 17 2653 1 1 5 TYR H H 6.513 -2.069 0.385 1.00 . A A . 5 TYR H 1 1 17 2654 1 1 5 TYR HA H 6.617 -2.950 3.155 1.00 . A A . 5 TYR HA 1 1 17 2655 1 1 5 TYR HB2 H 4.532 -3.284 1.944 1.00 . A A . 5 TYR HB2 1 1 17 2656 1 1 5 TYR HB3 H 5.370 -4.209 0.703 1.00 . A A . 5 TYR HB3 1 1 17 2657 1 1 5 TYR HD1 H 4.866 -4.242 4.409 1.00 . A A . 5 TYR HD1 1 1 17 2658 1 1 5 TYR HD2 H 5.276 -6.510 0.832 1.00 . A A . 5 TYR HD2 1 1 17 2659 1 1 5 TYR HE1 H 4.454 -6.308 5.678 1.00 . A A . 5 TYR HE1 1 1 17 2660 1 1 5 TYR HE2 H 4.863 -8.582 2.092 1.00 . A A . 5 TYR HE2 1 1 17 2661 1 1 5 TYR HH H 3.981 -8.513 5.504 1.00 . A A . 5 TYR HH 1 1 17 2662 1 1 5 TYR N N 6.861 -2.078 1.301 1.00 . A A . 5 TYR N 1 1 17 2663 1 1 5 TYR O O 7.993 -5.167 2.752 1.00 . A A . 5 TYR O 1 1 17 2664 1 1 5 TYR OH O 4.403 -8.727 4.669 1.00 . A A . 5 TYR OH 1 1 17 2665 1 1 6 SER C C 10.833 -4.743 1.761 1.00 . A A . 6 SER C 1 1 17 2666 1 1 6 SER CA C 9.786 -4.873 0.658 1.00 . A A . 6 SER CA 1 1 17 2667 1 1 6 SER CB C 10.407 -4.519 -0.694 1.00 . A A . 6 SER CB 1 1 17 2668 1 1 6 SER H H 8.456 -3.259 0.333 1.00 . A A . 6 SER H 1 1 17 2669 1 1 6 SER HA H 9.438 -5.895 0.628 1.00 . A A . 6 SER HA 1 1 17 2670 1 1 6 SER HB2 H 10.828 -3.526 -0.645 1.00 . A A . 6 SER HB2 1 1 17 2671 1 1 6 SER HB3 H 11.187 -5.229 -0.926 1.00 . A A . 6 SER HB3 1 1 17 2672 1 1 6 SER HG H 8.567 -4.389 -1.353 1.00 . A A . 6 SER HG 1 1 17 2673 1 1 6 SER N N 8.638 -4.016 0.928 1.00 . A A . 6 SER N 1 1 17 2674 1 1 6 SER O O 11.698 -5.604 1.915 1.00 . A A . 6 SER O 1 1 17 2675 1 1 6 SER OG O 9.436 -4.553 -1.726 1.00 . A A . 6 SER OG 1 1 17 2676 1 1 7 ARG C C 11.341 -4.264 4.831 1.00 . A A . 7 ARG C 1 1 17 2677 1 1 7 ARG CA C 11.686 -3.413 3.613 1.00 . A A . 7 ARG CA 1 1 17 2678 1 1 7 ARG CB C 11.682 -1.932 3.994 1.00 . A A . 7 ARG CB 1 1 17 2679 1 1 7 ARG CD C 10.170 -0.026 4.623 1.00 . A A . 7 ARG CD 1 1 17 2680 1 1 7 ARG CG C 10.455 -1.510 4.786 1.00 . A A . 7 ARG CG 1 1 17 2681 1 1 7 ARG CZ C 9.110 0.637 6.740 1.00 . A A . 7 ARG CZ 1 1 17 2682 1 1 7 ARG H H 10.034 -3.008 2.353 1.00 . A A . 7 ARG H 1 1 17 2683 1 1 7 ARG HA H 12.672 -3.684 3.267 1.00 . A A . 7 ARG HA 1 1 17 2684 1 1 7 ARG HB2 H 12.558 -1.723 4.591 1.00 . A A . 7 ARG HB2 1 1 17 2685 1 1 7 ARG HB3 H 11.722 -1.340 3.092 1.00 . A A . 7 ARG HB3 1 1 17 2686 1 1 7 ARG HD2 H 11.046 0.531 4.923 1.00 . A A . 7 ARG HD2 1 1 17 2687 1 1 7 ARG HD3 H 9.955 0.174 3.584 1.00 . A A . 7 ARG HD3 1 1 17 2688 1 1 7 ARG HE H 8.174 0.528 4.982 1.00 . A A . 7 ARG HE 1 1 17 2689 1 1 7 ARG HG2 H 9.601 -2.070 4.435 1.00 . A A . 7 ARG HG2 1 1 17 2690 1 1 7 ARG HG3 H 10.623 -1.724 5.832 1.00 . A A . 7 ARG HG3 1 1 17 2691 1 1 7 ARG HH11 H 11.074 0.187 6.878 1.00 . A A . 7 ARG HH11 1 1 17 2692 1 1 7 ARG HH12 H 10.315 0.656 8.363 1.00 . A A . 7 ARG HH12 1 1 17 2693 1 1 7 ARG HH21 H 7.163 1.147 6.931 1.00 . A A . 7 ARG HH21 1 1 17 2694 1 1 7 ARG HH22 H 8.090 1.201 8.392 1.00 . A A . 7 ARG HH22 1 1 17 2695 1 1 7 ARG N N 10.746 -3.659 2.525 1.00 . A A . 7 ARG N 1 1 17 2696 1 1 7 ARG NE N 9.035 0.406 5.434 1.00 . A A . 7 ARG NE 1 1 17 2697 1 1 7 ARG NH1 N 10.261 0.480 7.379 1.00 . A A . 7 ARG NH1 1 1 17 2698 1 1 7 ARG NH2 N 8.032 1.027 7.409 1.00 . A A . 7 ARG NH2 1 1 17 2699 1 1 7 ARG O O 12.219 -4.645 5.605 1.00 . A A . 7 ARG O 1 1 17 2700 1 1 8 VAL C C 10.301 -6.715 6.155 1.00 . A A . 8 VAL C 1 1 17 2701 1 1 8 VAL CA C 9.593 -5.366 6.119 1.00 . A A . 8 VAL CA 1 1 17 2702 1 1 8 VAL CB C 8.072 -5.598 6.056 1.00 . A A . 8 VAL CB 1 1 17 2703 1 1 8 VAL CG1 C 7.579 -6.261 7.333 1.00 . A A . 8 VAL CG1 1 1 17 2704 1 1 8 VAL CG2 C 7.343 -4.285 5.813 1.00 . A A . 8 VAL CG2 1 1 17 2705 1 1 8 VAL H H 9.401 -4.227 4.346 1.00 . A A . 8 VAL H 1 1 17 2706 1 1 8 VAL HA H 9.817 -4.829 7.030 1.00 . A A . 8 VAL HA 1 1 17 2707 1 1 8 VAL HB H 7.863 -6.260 5.229 1.00 . A A . 8 VAL HB 1 1 17 2708 1 1 8 VAL HG11 H 7.698 -7.332 7.251 1.00 . A A . 8 VAL HG11 1 1 17 2709 1 1 8 VAL HG12 H 8.153 -5.898 8.173 1.00 . A A . 8 VAL HG12 1 1 17 2710 1 1 8 VAL HG13 H 6.536 -6.026 7.481 1.00 . A A . 8 VAL HG13 1 1 17 2711 1 1 8 VAL HG21 H 7.421 -4.019 4.769 1.00 . A A . 8 VAL HG21 1 1 17 2712 1 1 8 VAL HG22 H 6.302 -4.396 6.078 1.00 . A A . 8 VAL HG22 1 1 17 2713 1 1 8 VAL HG23 H 7.787 -3.508 6.417 1.00 . A A . 8 VAL HG23 1 1 17 2714 1 1 8 VAL N N 10.055 -4.559 4.996 1.00 . A A . 8 VAL N 1 1 17 2715 1 1 8 VAL O O 10.537 -7.278 7.224 1.00 . A A . 8 VAL O 1 1 17 2716 1 1 9 LYS C C 12.832 -8.340 5.006 1.00 . A A . 9 LYS C 1 1 17 2717 1 1 9 LYS CA C 11.322 -8.515 4.872 1.00 . A A . 9 LYS CA 1 1 17 2718 1 1 9 LYS CB C 10.992 -9.183 3.536 1.00 . A A . 9 LYS CB 1 1 17 2719 1 1 9 LYS CD C 8.879 -9.861 2.358 1.00 . A A . 9 LYS CD 1 1 17 2720 1 1 9 LYS CE C 8.237 -11.165 1.912 1.00 . A A . 9 LYS CE 1 1 17 2721 1 1 9 LYS CG C 9.753 -10.061 3.585 1.00 . A A . 9 LYS CG 1 1 17 2722 1 1 9 LYS H H 10.424 -6.735 4.160 1.00 . A A . 9 LYS H 1 1 17 2723 1 1 9 LYS HA H 10.972 -9.144 5.676 1.00 . A A . 9 LYS HA 1 1 17 2724 1 1 9 LYS HB2 H 10.835 -8.416 2.792 1.00 . A A . 9 LYS HB2 1 1 17 2725 1 1 9 LYS HB3 H 11.830 -9.796 3.237 1.00 . A A . 9 LYS HB3 1 1 17 2726 1 1 9 LYS HD2 H 8.100 -9.151 2.593 1.00 . A A . 9 LYS HD2 1 1 17 2727 1 1 9 LYS HD3 H 9.488 -9.475 1.552 1.00 . A A . 9 LYS HD3 1 1 17 2728 1 1 9 LYS HE2 H 8.542 -11.373 0.898 1.00 . A A . 9 LYS HE2 1 1 17 2729 1 1 9 LYS HE3 H 8.578 -11.959 2.560 1.00 . A A . 9 LYS HE3 1 1 17 2730 1 1 9 LYS HG2 H 10.058 -11.096 3.631 1.00 . A A . 9 LYS HG2 1 1 17 2731 1 1 9 LYS HG3 H 9.181 -9.812 4.467 1.00 . A A . 9 LYS HG3 1 1 17 2732 1 1 9 LYS HZ1 H 6.368 -11.988 2.349 1.00 . A A . 9 LYS HZ1 1 1 17 2733 1 1 9 LYS HZ2 H 6.363 -10.950 1.014 1.00 . A A . 9 LYS HZ2 1 1 17 2734 1 1 9 LYS HZ3 H 6.450 -10.314 2.580 1.00 . A A . 9 LYS HZ3 1 1 17 2735 1 1 9 LYS N N 10.639 -7.231 4.978 1.00 . A A . 9 LYS N 1 1 17 2736 1 1 9 LYS NZ N 6.750 -11.099 1.968 1.00 . A A . 9 LYS NZ 1 1 17 2737 1 1 9 LYS O O 13.535 -8.149 4.013 1.00 . A A . 9 LYS O 1 1 18 2738 1 1 1 THR C C 4.554 -1.584 -1.638 1.00 . A A . 1 THR C 1 1 18 2739 1 1 1 THR CA C 3.613 -0.391 -1.765 1.00 . A A . 1 THR CA 1 1 18 2740 1 1 1 THR CB C 2.245 -0.765 -1.164 1.00 . A A . 1 THR CB 1 1 18 2741 1 1 1 THR CG2 C 1.888 0.164 -0.014 1.00 . A A . 1 THR CG2 1 1 18 2742 1 1 1 THR H1 H 2.699 -0.245 -3.668 1.00 . A A . 1 THR H1 1 1 18 2743 1 1 1 THR HA H 4.017 0.436 -1.200 1.00 . A A . 1 THR HA 1 1 18 2744 1 1 1 THR HB H 2.298 -1.777 -0.787 1.00 . A A . 1 THR HB 1 1 18 2745 1 1 1 THR HG1 H 0.369 -0.622 -1.756 1.00 . A A . 1 THR HG1 1 1 18 2746 1 1 1 THR HG21 H 2.638 0.085 0.759 1.00 . A A . 1 THR HG21 1 1 18 2747 1 1 1 THR HG22 H 0.925 -0.116 0.389 1.00 . A A . 1 THR HG22 1 1 18 2748 1 1 1 THR HG23 H 1.846 1.181 -0.372 1.00 . A A . 1 THR HG23 1 1 18 2749 1 1 1 THR N N 3.486 0.031 -3.154 1.00 . A A . 1 THR N 1 1 18 2750 1 1 1 THR O O 5.153 -1.805 -0.585 1.00 . A A . 1 THR O 1 1 18 2751 1 1 1 THR OG1 O 1.231 -0.695 -2.173 1.00 . A A . 1 THR OG1 1 1 18 2752 1 1 2 VAL C C 6.935 -3.179 -2.182 1.00 . A A . 2 VAL C 1 1 18 2753 1 1 2 VAL CA C 5.552 -3.520 -2.726 1.00 . A A . 2 VAL CA 1 1 18 2754 1 1 2 VAL CB C 5.698 -4.099 -4.145 1.00 . A A . 2 VAL CB 1 1 18 2755 1 1 2 VAL CG1 C 4.441 -4.858 -4.544 1.00 . A A . 2 VAL CG1 1 1 18 2756 1 1 2 VAL CG2 C 6.002 -2.993 -5.143 1.00 . A A . 2 VAL CG2 1 1 18 2757 1 1 2 VAL H H 4.178 -2.122 -3.526 1.00 . A A . 2 VAL H 1 1 18 2758 1 1 2 VAL HA H 5.103 -4.274 -2.096 1.00 . A A . 2 VAL HA 1 1 18 2759 1 1 2 VAL HB H 6.526 -4.793 -4.145 1.00 . A A . 2 VAL HB 1 1 18 2760 1 1 2 VAL HG11 H 4.211 -4.652 -5.580 1.00 . A A . 2 VAL HG11 1 1 18 2761 1 1 2 VAL HG12 H 4.603 -5.918 -4.414 1.00 . A A . 2 VAL HG12 1 1 18 2762 1 1 2 VAL HG13 H 3.617 -4.540 -3.923 1.00 . A A . 2 VAL HG13 1 1 18 2763 1 1 2 VAL HG21 H 6.992 -2.604 -4.958 1.00 . A A . 2 VAL HG21 1 1 18 2764 1 1 2 VAL HG22 H 5.954 -3.389 -6.147 1.00 . A A . 2 VAL HG22 1 1 18 2765 1 1 2 VAL HG23 H 5.277 -2.200 -5.035 1.00 . A A . 2 VAL HG23 1 1 18 2766 1 1 2 VAL N N 4.681 -2.350 -2.717 1.00 . A A . 2 VAL N 1 1 18 2767 1 1 2 VAL O O 7.477 -3.898 -1.342 1.00 . A A . 2 VAL O 1 1 18 2768 1 1 3 TYR C C 8.806 -1.243 -0.759 1.00 . A A . 3 TYR C 1 1 18 2769 1 1 3 TYR CA C 8.822 -1.644 -2.231 1.00 . A A . 3 TYR CA 1 1 18 2770 1 1 3 TYR CB C 9.303 -0.471 -3.086 1.00 . A A . 3 TYR CB 1 1 18 2771 1 1 3 TYR CD1 C 9.996 -1.418 -5.322 1.00 . A A . 3 TYR CD1 1 1 18 2772 1 1 3 TYR CD2 C 7.994 -0.129 -5.218 1.00 . A A . 3 TYR CD2 1 1 18 2773 1 1 3 TYR CE1 C 9.810 -1.608 -6.678 1.00 . A A . 3 TYR CE1 1 1 18 2774 1 1 3 TYR CE2 C 7.798 -0.315 -6.573 1.00 . A A . 3 TYR CE2 1 1 18 2775 1 1 3 TYR CG C 9.094 -0.677 -4.569 1.00 . A A . 3 TYR CG 1 1 18 2776 1 1 3 TYR CZ C 8.709 -1.055 -7.298 1.00 . A A . 3 TYR CZ 1 1 18 2777 1 1 3 TYR H H 7.019 -1.548 -3.334 1.00 . A A . 3 TYR H 1 1 18 2778 1 1 3 TYR HA H 9.503 -2.473 -2.359 1.00 . A A . 3 TYR HA 1 1 18 2779 1 1 3 TYR HB2 H 8.768 0.420 -2.797 1.00 . A A . 3 TYR HB2 1 1 18 2780 1 1 3 TYR HB3 H 10.360 -0.321 -2.918 1.00 . A A . 3 TYR HB3 1 1 18 2781 1 1 3 TYR HD1 H 10.858 -1.849 -4.833 1.00 . A A . 3 TYR HD1 1 1 18 2782 1 1 3 TYR HD2 H 7.283 0.450 -4.647 1.00 . A A . 3 TYR HD2 1 1 18 2783 1 1 3 TYR HE1 H 10.522 -2.187 -7.246 1.00 . A A . 3 TYR HE1 1 1 18 2784 1 1 3 TYR HE2 H 6.936 0.118 -7.059 1.00 . A A . 3 TYR HE2 1 1 18 2785 1 1 3 TYR HH H 7.615 -1.527 -8.808 1.00 . A A . 3 TYR HH 1 1 18 2786 1 1 3 TYR N N 7.500 -2.080 -2.667 1.00 . A A . 3 TYR N 1 1 18 2787 1 1 3 TYR O O 9.795 -1.413 -0.046 1.00 . A A . 3 TYR O 1 1 18 2788 1 1 3 TYR OH O 8.518 -1.242 -8.648 1.00 . A A . 3 TYR OH 1 1 18 2789 1 1 4 VAL C C 7.459 -1.484 2.014 1.00 . A A . 4 VAL C 1 1 18 2790 1 1 4 VAL CA C 7.526 -0.284 1.076 1.00 . A A . 4 VAL CA 1 1 18 2791 1 1 4 VAL CB C 6.263 0.575 1.268 1.00 . A A . 4 VAL CB 1 1 18 2792 1 1 4 VAL CG1 C 6.046 0.886 2.741 1.00 . A A . 4 VAL CG1 1 1 18 2793 1 1 4 VAL CG2 C 6.361 1.856 0.454 1.00 . A A . 4 VAL CG2 1 1 18 2794 1 1 4 VAL H H 6.920 -0.599 -0.927 1.00 . A A . 4 VAL H 1 1 18 2795 1 1 4 VAL HA H 8.387 0.316 1.335 1.00 . A A . 4 VAL HA 1 1 18 2796 1 1 4 VAL HB H 5.412 0.012 0.913 1.00 . A A . 4 VAL HB 1 1 18 2797 1 1 4 VAL HG11 H 6.927 1.367 3.140 1.00 . A A . 4 VAL HG11 1 1 18 2798 1 1 4 VAL HG12 H 5.195 1.541 2.850 1.00 . A A . 4 VAL HG12 1 1 18 2799 1 1 4 VAL HG13 H 5.865 -0.033 3.280 1.00 . A A . 4 VAL HG13 1 1 18 2800 1 1 4 VAL HG21 H 5.379 2.292 0.350 1.00 . A A . 4 VAL HG21 1 1 18 2801 1 1 4 VAL HG22 H 7.013 2.555 0.958 1.00 . A A . 4 VAL HG22 1 1 18 2802 1 1 4 VAL HG23 H 6.762 1.632 -0.524 1.00 . A A . 4 VAL HG23 1 1 18 2803 1 1 4 VAL N N 7.674 -0.709 -0.311 1.00 . A A . 4 VAL N 1 1 18 2804 1 1 4 VAL O O 7.817 -1.388 3.188 1.00 . A A . 4 VAL O 1 1 18 2805 1 1 5 TYR C C 8.162 -4.661 2.196 1.00 . A A . 5 TYR C 1 1 18 2806 1 1 5 TYR CA C 6.883 -3.833 2.279 1.00 . A A . 5 TYR CA 1 1 18 2807 1 1 5 TYR CB C 5.692 -4.665 1.801 1.00 . A A . 5 TYR CB 1 1 18 2808 1 1 5 TYR CD1 C 3.644 -4.438 3.261 1.00 . A A . 5 TYR CD1 1 1 18 2809 1 1 5 TYR CD2 C 5.098 -6.287 3.644 1.00 . A A . 5 TYR CD2 1 1 18 2810 1 1 5 TYR CE1 C 2.821 -4.866 4.285 1.00 . A A . 5 TYR CE1 1 1 18 2811 1 1 5 TYR CE2 C 4.281 -6.723 4.668 1.00 . A A . 5 TYR CE2 1 1 18 2812 1 1 5 TYR CG C 4.795 -5.139 2.922 1.00 . A A . 5 TYR CG 1 1 18 2813 1 1 5 TYR CZ C 3.144 -6.010 4.985 1.00 . A A . 5 TYR CZ 1 1 18 2814 1 1 5 TYR H H 6.729 -2.628 0.546 1.00 . A A . 5 TYR H 1 1 18 2815 1 1 5 TYR HA H 6.720 -3.547 3.308 1.00 . A A . 5 TYR HA 1 1 18 2816 1 1 5 TYR HB2 H 5.093 -4.071 1.128 1.00 . A A . 5 TYR HB2 1 1 18 2817 1 1 5 TYR HB3 H 6.057 -5.536 1.277 1.00 . A A . 5 TYR HB3 1 1 18 2818 1 1 5 TYR HD1 H 3.393 -3.542 2.710 1.00 . A A . 5 TYR HD1 1 1 18 2819 1 1 5 TYR HD2 H 5.990 -6.843 3.393 1.00 . A A . 5 TYR HD2 1 1 18 2820 1 1 5 TYR HE1 H 1.931 -4.308 4.534 1.00 . A A . 5 TYR HE1 1 1 18 2821 1 1 5 TYR HE2 H 4.534 -7.619 5.217 1.00 . A A . 5 TYR HE2 1 1 18 2822 1 1 5 TYR HH H 1.674 -5.766 6.199 1.00 . A A . 5 TYR HH 1 1 18 2823 1 1 5 TYR N N 6.999 -2.614 1.488 1.00 . A A . 5 TYR N 1 1 18 2824 1 1 5 TYR O O 8.372 -5.581 2.985 1.00 . A A . 5 TYR O 1 1 18 2825 1 1 5 TYR OH O 2.329 -6.441 6.006 1.00 . A A . 5 TYR OH 1 1 18 2826 1 1 6 SER C C 11.161 -4.910 2.274 1.00 . A A . 6 SER C 1 1 18 2827 1 1 6 SER CA C 10.271 -5.038 1.041 1.00 . A A . 6 SER CA 1 1 18 2828 1 1 6 SER CB C 11.005 -4.502 -0.190 1.00 . A A . 6 SER CB 1 1 18 2829 1 1 6 SER H H 8.790 -3.582 0.634 1.00 . A A . 6 SER H 1 1 18 2830 1 1 6 SER HA H 10.040 -6.082 0.886 1.00 . A A . 6 SER HA 1 1 18 2831 1 1 6 SER HB2 H 10.622 -3.523 -0.435 1.00 . A A . 6 SER HB2 1 1 18 2832 1 1 6 SER HB3 H 12.061 -4.432 0.026 1.00 . A A . 6 SER HB3 1 1 18 2833 1 1 6 SER HG H 11.675 -5.564 -1.693 1.00 . A A . 6 SER HG 1 1 18 2834 1 1 6 SER N N 9.014 -4.325 1.232 1.00 . A A . 6 SER N 1 1 18 2835 1 1 6 SER O O 12.091 -5.694 2.467 1.00 . A A . 6 SER O 1 1 18 2836 1 1 6 SER OG O 10.821 -5.357 -1.305 1.00 . A A . 6 SER OG 1 1 18 2837 1 1 7 ARG C C 11.247 -4.666 5.414 1.00 . A A . 7 ARG C 1 1 18 2838 1 1 7 ARG CA C 11.643 -3.681 4.318 1.00 . A A . 7 ARG CA 1 1 18 2839 1 1 7 ARG CB C 11.440 -2.246 4.810 1.00 . A A . 7 ARG CB 1 1 18 2840 1 1 7 ARG CD C 9.700 -0.545 5.437 1.00 . A A . 7 ARG CD 1 1 18 2841 1 1 7 ARG CG C 10.091 -2.014 5.471 1.00 . A A . 7 ARG CG 1 1 18 2842 1 1 7 ARG CZ C 9.772 1.400 6.938 1.00 . A A . 7 ARG CZ 1 1 18 2843 1 1 7 ARG H H 10.116 -3.323 2.897 1.00 . A A . 7 ARG H 1 1 18 2844 1 1 7 ARG HA H 12.686 -3.826 4.080 1.00 . A A . 7 ARG HA 1 1 18 2845 1 1 7 ARG HB2 H 12.213 -2.011 5.527 1.00 . A A . 7 ARG HB2 1 1 18 2846 1 1 7 ARG HB3 H 11.525 -1.575 3.969 1.00 . A A . 7 ARG HB3 1 1 18 2847 1 1 7 ARG HD2 H 10.132 -0.091 4.558 1.00 . A A . 7 ARG HD2 1 1 18 2848 1 1 7 ARG HD3 H 8.624 -0.475 5.387 1.00 . A A . 7 ARG HD3 1 1 18 2849 1 1 7 ARG HE H 10.810 -0.282 7.203 1.00 . A A . 7 ARG HE 1 1 18 2850 1 1 7 ARG HG2 H 9.341 -2.587 4.947 1.00 . A A . 7 ARG HG2 1 1 18 2851 1 1 7 ARG HG3 H 10.144 -2.341 6.499 1.00 . A A . 7 ARG HG3 1 1 18 2852 1 1 7 ARG HH11 H 8.547 1.601 5.345 1.00 . A A . 7 ARG HH11 1 1 18 2853 1 1 7 ARG HH12 H 8.607 2.966 6.411 1.00 . A A . 7 ARG HH12 1 1 18 2854 1 1 7 ARG HH21 H 10.897 1.507 8.614 1.00 . A A . 7 ARG HH21 1 1 18 2855 1 1 7 ARG HH22 H 9.945 2.911 8.270 1.00 . A A . 7 ARG HH22 1 1 18 2856 1 1 7 ARG N N 10.869 -3.914 3.105 1.00 . A A . 7 ARG N 1 1 18 2857 1 1 7 ARG NE N 10.168 0.173 6.619 1.00 . A A . 7 ARG NE 1 1 18 2858 1 1 7 ARG NH1 N 8.905 2.042 6.168 1.00 . A A . 7 ARG NH1 1 1 18 2859 1 1 7 ARG NH2 N 10.243 1.988 8.031 1.00 . A A . 7 ARG NH2 1 1 18 2860 1 1 7 ARG O O 12.062 -5.030 6.261 1.00 . A A . 7 ARG O 1 1 18 2861 1 1 8 VAL C C 10.317 -7.314 6.400 1.00 . A A . 8 VAL C 1 1 18 2862 1 1 8 VAL CA C 9.483 -6.037 6.382 1.00 . A A . 8 VAL CA 1 1 18 2863 1 1 8 VAL CB C 8.012 -6.402 6.111 1.00 . A A . 8 VAL CB 1 1 18 2864 1 1 8 VAL CG1 C 7.443 -7.220 7.260 1.00 . A A . 8 VAL CG1 1 1 18 2865 1 1 8 VAL CG2 C 7.186 -5.145 5.880 1.00 . A A . 8 VAL CG2 1 1 18 2866 1 1 8 VAL H H 9.385 -4.768 4.691 1.00 . A A . 8 VAL H 1 1 18 2867 1 1 8 VAL HA H 9.543 -5.566 7.352 1.00 . A A . 8 VAL HA 1 1 18 2868 1 1 8 VAL HB H 7.970 -7.004 5.215 1.00 . A A . 8 VAL HB 1 1 18 2869 1 1 8 VAL HG11 H 7.842 -6.852 8.194 1.00 . A A . 8 VAL HG11 1 1 18 2870 1 1 8 VAL HG12 H 6.367 -7.131 7.268 1.00 . A A . 8 VAL HG12 1 1 18 2871 1 1 8 VAL HG13 H 7.719 -8.256 7.135 1.00 . A A . 8 VAL HG13 1 1 18 2872 1 1 8 VAL HG21 H 6.136 -5.390 5.936 1.00 . A A . 8 VAL HG21 1 1 18 2873 1 1 8 VAL HG22 H 7.425 -4.412 6.637 1.00 . A A . 8 VAL HG22 1 1 18 2874 1 1 8 VAL HG23 H 7.410 -4.740 4.904 1.00 . A A . 8 VAL HG23 1 1 18 2875 1 1 8 VAL N N 9.988 -5.094 5.391 1.00 . A A . 8 VAL N 1 1 18 2876 1 1 8 VAL O O 10.479 -7.948 7.442 1.00 . A A . 8 VAL O 1 1 18 2877 1 1 9 LYS C C 13.025 -8.558 4.513 1.00 . A A . 9 LYS C 1 1 18 2878 1 1 9 LYS CA C 11.664 -8.886 5.119 1.00 . A A . 9 LYS CA 1 1 18 2879 1 1 9 LYS CB C 10.950 -9.932 4.260 1.00 . A A . 9 LYS CB 1 1 18 2880 1 1 9 LYS CD C 9.297 -8.857 2.703 1.00 . A A . 9 LYS CD 1 1 18 2881 1 1 9 LYS CE C 8.709 -9.106 1.322 1.00 . A A . 9 LYS CE 1 1 18 2882 1 1 9 LYS CG C 10.681 -9.470 2.838 1.00 . A A . 9 LYS CG 1 1 18 2883 1 1 9 LYS H H 10.680 -7.138 4.442 1.00 . A A . 9 LYS H 1 1 18 2884 1 1 9 LYS HA H 11.811 -9.287 6.110 1.00 . A A . 9 LYS HA 1 1 18 2885 1 1 9 LYS HB2 H 11.559 -10.822 4.218 1.00 . A A . 9 LYS HB2 1 1 18 2886 1 1 9 LYS HB3 H 10.004 -10.175 4.722 1.00 . A A . 9 LYS HB3 1 1 18 2887 1 1 9 LYS HD2 H 8.645 -9.295 3.444 1.00 . A A . 9 LYS HD2 1 1 18 2888 1 1 9 LYS HD3 H 9.368 -7.791 2.867 1.00 . A A . 9 LYS HD3 1 1 18 2889 1 1 9 LYS HE2 H 7.798 -8.536 1.225 1.00 . A A . 9 LYS HE2 1 1 18 2890 1 1 9 LYS HE3 H 9.420 -8.778 0.578 1.00 . A A . 9 LYS HE3 1 1 18 2891 1 1 9 LYS HG2 H 11.419 -8.731 2.563 1.00 . A A . 9 LYS HG2 1 1 18 2892 1 1 9 LYS HG3 H 10.755 -10.319 2.173 1.00 . A A . 9 LYS HG3 1 1 18 2893 1 1 9 LYS HZ1 H 8.090 -10.986 1.990 1.00 . A A . 9 LYS HZ1 1 1 18 2894 1 1 9 LYS HZ2 H 9.255 -11.044 0.765 1.00 . A A . 9 LYS HZ2 1 1 18 2895 1 1 9 LYS HZ3 H 7.653 -10.649 0.390 1.00 . A A . 9 LYS HZ3 1 1 18 2896 1 1 9 LYS N N 10.844 -7.685 5.238 1.00 . A A . 9 LYS N 1 1 18 2897 1 1 9 LYS NZ N 8.405 -10.547 1.101 1.00 . A A . 9 LYS NZ 1 1 18 2898 1 1 9 LYS O O 14.064 -8.811 5.123 1.00 . A A . 9 LYS O 1 1 19 2899 1 1 1 THR C C 3.827 -1.318 -1.426 1.00 . A A . 1 THR C 1 1 19 2900 1 1 1 THR CA C 3.061 -0.002 -1.476 1.00 . A A . 1 THR CA 1 1 19 2901 1 1 1 THR CB C 1.668 -0.208 -0.850 1.00 . A A . 1 THR CB 1 1 19 2902 1 1 1 THR CG2 C 1.535 0.582 0.444 1.00 . A A . 1 THR CG2 1 1 19 2903 1 1 1 THR H1 H 2.076 0.605 -3.249 1.00 . A A . 1 THR H1 1 1 19 2904 1 1 1 THR HA H 3.591 0.735 -0.889 1.00 . A A . 1 THR HA 1 1 19 2905 1 1 1 THR HB H 1.542 -1.258 -0.628 1.00 . A A . 1 THR HB 1 1 19 2906 1 1 1 THR HG1 H 0.501 1.145 -1.683 1.00 . A A . 1 THR HG1 1 1 19 2907 1 1 1 THR HG21 H 2.245 1.395 0.444 1.00 . A A . 1 THR HG21 1 1 19 2908 1 1 1 THR HG22 H 1.730 -0.068 1.284 1.00 . A A . 1 THR HG22 1 1 19 2909 1 1 1 THR HG23 H 0.534 0.979 0.521 1.00 . A A . 1 THR HG23 1 1 19 2910 1 1 1 THR N N 2.961 0.497 -2.841 1.00 . A A . 1 THR N 1 1 19 2911 1 1 1 THR O O 4.511 -1.614 -0.446 1.00 . A A . 1 THR O 1 1 19 2912 1 1 1 THR OG1 O 0.652 0.201 -1.771 1.00 . A A . 1 THR OG1 1 1 19 2913 1 1 2 VAL C C 5.868 -3.253 -2.203 1.00 . A A . 2 VAL C 1 1 19 2914 1 1 2 VAL CA C 4.394 -3.392 -2.569 1.00 . A A . 2 VAL CA 1 1 19 2915 1 1 2 VAL CB C 4.281 -4.003 -3.978 1.00 . A A . 2 VAL CB 1 1 19 2916 1 1 2 VAL CG1 C 2.889 -4.572 -4.203 1.00 . A A . 2 VAL CG1 1 1 19 2917 1 1 2 VAL CG2 C 4.619 -2.964 -5.037 1.00 . A A . 2 VAL CG2 1 1 19 2918 1 1 2 VAL H H 3.150 -1.816 -3.241 1.00 . A A . 2 VAL H 1 1 19 2919 1 1 2 VAL HA H 3.921 -4.065 -1.868 1.00 . A A . 2 VAL HA 1 1 19 2920 1 1 2 VAL HB H 4.993 -4.811 -4.056 1.00 . A A . 2 VAL HB 1 1 19 2921 1 1 2 VAL HG11 H 2.296 -3.863 -4.763 1.00 . A A . 2 VAL HG11 1 1 19 2922 1 1 2 VAL HG12 H 2.963 -5.497 -4.757 1.00 . A A . 2 VAL HG12 1 1 19 2923 1 1 2 VAL HG13 H 2.418 -4.760 -3.249 1.00 . A A . 2 VAL HG13 1 1 19 2924 1 1 2 VAL HG21 H 5.670 -2.724 -4.981 1.00 . A A . 2 VAL HG21 1 1 19 2925 1 1 2 VAL HG22 H 4.392 -3.360 -6.016 1.00 . A A . 2 VAL HG22 1 1 19 2926 1 1 2 VAL HG23 H 4.035 -2.072 -4.866 1.00 . A A . 2 VAL HG23 1 1 19 2927 1 1 2 VAL N N 3.710 -2.107 -2.490 1.00 . A A . 2 VAL N 1 1 19 2928 1 1 2 VAL O O 6.398 -4.034 -1.413 1.00 . A A . 2 VAL O 1 1 19 2929 1 1 3 TYR C C 8.158 -1.589 -1.071 1.00 . A A . 3 TYR C 1 1 19 2930 1 1 3 TYR CA C 7.937 -2.014 -2.520 1.00 . A A . 3 TYR CA 1 1 19 2931 1 1 3 TYR CB C 8.478 -0.940 -3.466 1.00 . A A . 3 TYR CB 1 1 19 2932 1 1 3 TYR CD1 C 10.316 -2.266 -4.579 1.00 . A A . 3 TYR CD1 1 1 19 2933 1 1 3 TYR CD2 C 10.900 -0.226 -3.494 1.00 . A A . 3 TYR CD2 1 1 19 2934 1 1 3 TYR CE1 C 11.636 -2.460 -4.936 1.00 . A A . 3 TYR CE1 1 1 19 2935 1 1 3 TYR CE2 C 12.223 -0.411 -3.848 1.00 . A A . 3 TYR CE2 1 1 19 2936 1 1 3 TYR CG C 9.925 -1.147 -3.854 1.00 . A A . 3 TYR CG 1 1 19 2937 1 1 3 TYR CZ C 12.586 -1.530 -4.568 1.00 . A A . 3 TYR CZ 1 1 19 2938 1 1 3 TYR H H 6.046 -1.665 -3.404 1.00 . A A . 3 TYR H 1 1 19 2939 1 1 3 TYR HA H 8.469 -2.937 -2.698 1.00 . A A . 3 TYR HA 1 1 19 2940 1 1 3 TYR HB2 H 7.890 -0.937 -4.370 1.00 . A A . 3 TYR HB2 1 1 19 2941 1 1 3 TYR HB3 H 8.398 0.025 -2.987 1.00 . A A . 3 TYR HB3 1 1 19 2942 1 1 3 TYR HD1 H 9.570 -2.993 -4.866 1.00 . A A . 3 TYR HD1 1 1 19 2943 1 1 3 TYR HD2 H 10.612 0.649 -2.930 1.00 . A A . 3 TYR HD2 1 1 19 2944 1 1 3 TYR HE1 H 11.921 -3.336 -5.500 1.00 . A A . 3 TYR HE1 1 1 19 2945 1 1 3 TYR HE2 H 12.966 0.317 -3.559 1.00 . A A . 3 TYR HE2 1 1 19 2946 1 1 3 TYR HH H 14.470 -1.440 -4.198 1.00 . A A . 3 TYR HH 1 1 19 2947 1 1 3 TYR N N 6.523 -2.254 -2.783 1.00 . A A . 3 TYR N 1 1 19 2948 1 1 3 TYR O O 9.193 -1.888 -0.475 1.00 . A A . 3 TYR O 1 1 19 2949 1 1 3 TYR OH O 13.902 -1.719 -4.920 1.00 . A A . 3 TYR OH 1 1 19 2950 1 1 4 VAL C C 7.163 -1.591 1.848 1.00 . A A . 4 VAL C 1 1 19 2951 1 1 4 VAL CA C 7.259 -0.426 0.869 1.00 . A A . 4 VAL CA 1 1 19 2952 1 1 4 VAL CB C 6.147 0.591 1.187 1.00 . A A . 4 VAL CB 1 1 19 2953 1 1 4 VAL CG1 C 6.165 0.958 2.663 1.00 . A A . 4 VAL CG1 1 1 19 2954 1 1 4 VAL CG2 C 6.296 1.831 0.319 1.00 . A A . 4 VAL CG2 1 1 19 2955 1 1 4 VAL H H 6.375 -0.684 -1.037 1.00 . A A . 4 VAL H 1 1 19 2956 1 1 4 VAL HA H 8.214 0.063 0.999 1.00 . A A . 4 VAL HA 1 1 19 2957 1 1 4 VAL HB H 5.194 0.133 0.964 1.00 . A A . 4 VAL HB 1 1 19 2958 1 1 4 VAL HG11 H 5.948 0.080 3.254 1.00 . A A . 4 VAL HG11 1 1 19 2959 1 1 4 VAL HG12 H 7.140 1.340 2.928 1.00 . A A . 4 VAL HG12 1 1 19 2960 1 1 4 VAL HG13 H 5.418 1.714 2.855 1.00 . A A . 4 VAL HG13 1 1 19 2961 1 1 4 VAL HG21 H 7.329 2.143 0.313 1.00 . A A . 4 VAL HG21 1 1 19 2962 1 1 4 VAL HG22 H 5.982 1.605 -0.690 1.00 . A A . 4 VAL HG22 1 1 19 2963 1 1 4 VAL HG23 H 5.682 2.625 0.717 1.00 . A A . 4 VAL HG23 1 1 19 2964 1 1 4 VAL N N 7.175 -0.891 -0.510 1.00 . A A . 4 VAL N 1 1 19 2965 1 1 4 VAL O O 7.703 -1.532 2.953 1.00 . A A . 4 VAL O 1 1 19 2966 1 1 5 TYR C C 7.490 -4.775 2.130 1.00 . A A . 5 TYR C 1 1 19 2967 1 1 5 TYR CA C 6.304 -3.826 2.277 1.00 . A A . 5 TYR CA 1 1 19 2968 1 1 5 TYR CB C 5.007 -4.553 1.919 1.00 . A A . 5 TYR CB 1 1 19 2969 1 1 5 TYR CD1 C 3.195 -5.128 3.580 1.00 . A A . 5 TYR CD1 1 1 19 2970 1 1 5 TYR CD2 C 3.376 -2.866 2.851 1.00 . A A . 5 TYR CD2 1 1 19 2971 1 1 5 TYR CE1 C 2.126 -4.788 4.387 1.00 . A A . 5 TYR CE1 1 1 19 2972 1 1 5 TYR CE2 C 2.309 -2.516 3.655 1.00 . A A . 5 TYR CE2 1 1 19 2973 1 1 5 TYR CG C 3.838 -4.175 2.800 1.00 . A A . 5 TYR CG 1 1 19 2974 1 1 5 TYR CZ C 1.687 -3.481 4.421 1.00 . A A . 5 TYR CZ 1 1 19 2975 1 1 5 TYR H H 6.066 -2.635 0.544 1.00 . A A . 5 TYR H 1 1 19 2976 1 1 5 TYR HA H 6.248 -3.496 3.304 1.00 . A A . 5 TYR HA 1 1 19 2977 1 1 5 TYR HB2 H 4.742 -4.321 0.899 1.00 . A A . 5 TYR HB2 1 1 19 2978 1 1 5 TYR HB3 H 5.162 -5.618 2.011 1.00 . A A . 5 TYR HB3 1 1 19 2979 1 1 5 TYR HD1 H 3.541 -6.151 3.551 1.00 . A A . 5 TYR HD1 1 1 19 2980 1 1 5 TYR HD2 H 3.865 -2.113 2.250 1.00 . A A . 5 TYR HD2 1 1 19 2981 1 1 5 TYR HE1 H 1.638 -5.542 4.986 1.00 . A A . 5 TYR HE1 1 1 19 2982 1 1 5 TYR HE2 H 1.964 -1.493 3.682 1.00 . A A . 5 TYR HE2 1 1 19 2983 1 1 5 TYR HH H 0.319 -2.255 4.990 1.00 . A A . 5 TYR HH 1 1 19 2984 1 1 5 TYR N N 6.473 -2.648 1.436 1.00 . A A . 5 TYR N 1 1 19 2985 1 1 5 TYR O O 7.673 -5.688 2.935 1.00 . A A . 5 TYR O 1 1 19 2986 1 1 5 TYR OH O 0.622 -3.136 5.222 1.00 . A A . 5 TYR OH 1 1 19 2987 1 1 6 SER C C 10.625 -4.985 1.736 1.00 . A A . 6 SER C 1 1 19 2988 1 1 6 SER CA C 9.460 -5.388 0.838 1.00 . A A . 6 SER CA 1 1 19 2989 1 1 6 SER CB C 9.874 -5.285 -0.632 1.00 . A A . 6 SER CB 1 1 19 2990 1 1 6 SER H H 8.094 -3.808 0.487 1.00 . A A . 6 SER H 1 1 19 2991 1 1 6 SER HA H 9.190 -6.410 1.056 1.00 . A A . 6 SER HA 1 1 19 2992 1 1 6 SER HB2 H 9.998 -4.246 -0.896 1.00 . A A . 6 SER HB2 1 1 19 2993 1 1 6 SER HB3 H 10.808 -5.808 -0.777 1.00 . A A . 6 SER HB3 1 1 19 2994 1 1 6 SER HG H 9.316 -6.457 -2.099 1.00 . A A . 6 SER HG 1 1 19 2995 1 1 6 SER N N 8.293 -4.552 1.094 1.00 . A A . 6 SER N 1 1 19 2996 1 1 6 SER O O 11.567 -5.753 1.931 1.00 . A A . 6 SER O 1 1 19 2997 1 1 6 SER OG O 8.893 -5.858 -1.479 1.00 . A A . 6 SER OG 1 1 19 2998 1 1 7 ARG C C 11.880 -4.244 4.294 1.00 . A A . 7 ARG C 1 1 19 2999 1 1 7 ARG CA C 11.603 -3.267 3.156 1.00 . A A . 7 ARG CA 1 1 19 3000 1 1 7 ARG CB C 11.206 -1.903 3.725 1.00 . A A . 7 ARG CB 1 1 19 3001 1 1 7 ARG CD C 9.629 -0.604 5.188 1.00 . A A . 7 ARG CD 1 1 19 3002 1 1 7 ARG CG C 10.153 -1.983 4.817 1.00 . A A . 7 ARG CG 1 1 19 3003 1 1 7 ARG CZ C 7.868 0.391 6.586 1.00 . A A . 7 ARG CZ 1 1 19 3004 1 1 7 ARG H H 9.778 -3.208 2.086 1.00 . A A . 7 ARG H 1 1 19 3005 1 1 7 ARG HA H 12.501 -3.154 2.567 1.00 . A A . 7 ARG HA 1 1 19 3006 1 1 7 ARG HB2 H 12.085 -1.428 4.136 1.00 . A A . 7 ARG HB2 1 1 19 3007 1 1 7 ARG HB3 H 10.818 -1.292 2.924 1.00 . A A . 7 ARG HB3 1 1 19 3008 1 1 7 ARG HD2 H 10.429 -0.040 5.643 1.00 . A A . 7 ARG HD2 1 1 19 3009 1 1 7 ARG HD3 H 9.304 -0.104 4.288 1.00 . A A . 7 ARG HD3 1 1 19 3010 1 1 7 ARG HE H 8.221 -1.565 6.417 1.00 . A A . 7 ARG HE 1 1 19 3011 1 1 7 ARG HG2 H 9.328 -2.586 4.467 1.00 . A A . 7 ARG HG2 1 1 19 3012 1 1 7 ARG HG3 H 10.589 -2.439 5.693 1.00 . A A . 7 ARG HG3 1 1 19 3013 1 1 7 ARG HH11 H 8.995 1.720 5.564 1.00 . A A . 7 ARG HH11 1 1 19 3014 1 1 7 ARG HH12 H 7.751 2.409 6.553 1.00 . A A . 7 ARG HH12 1 1 19 3015 1 1 7 ARG HH21 H 6.579 -0.671 7.723 1.00 . A A . 7 ARG HH21 1 1 19 3016 1 1 7 ARG HH22 H 6.377 1.048 7.782 1.00 . A A . 7 ARG HH22 1 1 19 3017 1 1 7 ARG N N 10.554 -3.774 2.279 1.00 . A A . 7 ARG N 1 1 19 3018 1 1 7 ARG NE N 8.509 -0.676 6.122 1.00 . A A . 7 ARG NE 1 1 19 3019 1 1 7 ARG NH1 N 8.235 1.607 6.203 1.00 . A A . 7 ARG NH1 1 1 19 3020 1 1 7 ARG NH2 N 6.858 0.244 7.433 1.00 . A A . 7 ARG NH2 1 1 19 3021 1 1 7 ARG O O 13.001 -4.327 4.796 1.00 . A A . 7 ARG O 1 1 19 3022 1 1 8 VAL C C 12.080 -6.968 5.471 1.00 . A A . 8 VAL C 1 1 19 3023 1 1 8 VAL CA C 10.983 -5.954 5.776 1.00 . A A . 8 VAL CA 1 1 19 3024 1 1 8 VAL CB C 9.660 -6.705 6.021 1.00 . A A . 8 VAL CB 1 1 19 3025 1 1 8 VAL CG1 C 9.756 -7.562 7.274 1.00 . A A . 8 VAL CG1 1 1 19 3026 1 1 8 VAL CG2 C 8.503 -5.723 6.124 1.00 . A A . 8 VAL CG2 1 1 19 3027 1 1 8 VAL H H 9.982 -4.871 4.258 1.00 . A A . 8 VAL H 1 1 19 3028 1 1 8 VAL HA H 11.241 -5.419 6.678 1.00 . A A . 8 VAL HA 1 1 19 3029 1 1 8 VAL HB H 9.478 -7.356 5.179 1.00 . A A . 8 VAL HB 1 1 19 3030 1 1 8 VAL HG11 H 8.787 -7.615 7.748 1.00 . A A . 8 VAL HG11 1 1 19 3031 1 1 8 VAL HG12 H 10.083 -8.556 7.006 1.00 . A A . 8 VAL HG12 1 1 19 3032 1 1 8 VAL HG13 H 10.467 -7.121 7.957 1.00 . A A . 8 VAL HG13 1 1 19 3033 1 1 8 VAL HG21 H 8.890 -4.721 6.229 1.00 . A A . 8 VAL HG21 1 1 19 3034 1 1 8 VAL HG22 H 7.898 -5.783 5.230 1.00 . A A . 8 VAL HG22 1 1 19 3035 1 1 8 VAL HG23 H 7.897 -5.968 6.984 1.00 . A A . 8 VAL HG23 1 1 19 3036 1 1 8 VAL N N 10.851 -4.982 4.697 1.00 . A A . 8 VAL N 1 1 19 3037 1 1 8 VAL O O 12.754 -7.462 6.375 1.00 . A A . 8 VAL O 1 1 19 3038 1 1 9 LYS C C 13.952 -7.760 2.480 1.00 . A A . 9 LYS C 1 1 19 3039 1 1 9 LYS CA C 13.273 -8.227 3.763 1.00 . A A . 9 LYS CA 1 1 19 3040 1 1 9 LYS CB C 12.649 -9.608 3.548 1.00 . A A . 9 LYS CB 1 1 19 3041 1 1 9 LYS CD C 10.187 -9.593 3.048 1.00 . A A . 9 LYS CD 1 1 19 3042 1 1 9 LYS CE C 9.193 -10.336 2.169 1.00 . A A . 9 LYS CE 1 1 19 3043 1 1 9 LYS CG C 11.588 -9.634 2.461 1.00 . A A . 9 LYS CG 1 1 19 3044 1 1 9 LYS H H 11.688 -6.846 3.514 1.00 . A A . 9 LYS H 1 1 19 3045 1 1 9 LYS HA H 14.014 -8.294 4.545 1.00 . A A . 9 LYS HA 1 1 19 3046 1 1 9 LYS HB2 H 13.429 -10.304 3.278 1.00 . A A . 9 LYS HB2 1 1 19 3047 1 1 9 LYS HB3 H 12.194 -9.932 4.473 1.00 . A A . 9 LYS HB3 1 1 19 3048 1 1 9 LYS HD2 H 10.202 -10.054 4.025 1.00 . A A . 9 LYS HD2 1 1 19 3049 1 1 9 LYS HD3 H 9.874 -8.563 3.139 1.00 . A A . 9 LYS HD3 1 1 19 3050 1 1 9 LYS HE2 H 8.216 -9.897 2.303 1.00 . A A . 9 LYS HE2 1 1 19 3051 1 1 9 LYS HE3 H 9.496 -10.231 1.138 1.00 . A A . 9 LYS HE3 1 1 19 3052 1 1 9 LYS HG2 H 11.723 -8.776 1.819 1.00 . A A . 9 LYS HG2 1 1 19 3053 1 1 9 LYS HG3 H 11.700 -10.540 1.883 1.00 . A A . 9 LYS HG3 1 1 19 3054 1 1 9 LYS HZ1 H 8.147 -12.127 2.417 1.00 . A A . 9 LYS HZ1 1 1 19 3055 1 1 9 LYS HZ2 H 9.442 -11.936 3.488 1.00 . A A . 9 LYS HZ2 1 1 19 3056 1 1 9 LYS HZ3 H 9.735 -12.331 1.870 1.00 . A A . 9 LYS HZ3 1 1 19 3057 1 1 9 LYS N N 12.256 -7.274 4.190 1.00 . A A . 9 LYS N 1 1 19 3058 1 1 9 LYS NZ N 9.125 -11.784 2.510 1.00 . A A . 9 LYS NZ 1 1 19 3059 1 1 9 LYS O O 15.154 -7.958 2.294 1.00 . A A . 9 LYS O 1 1 20 3060 1 1 1 THR C C 3.589 -1.054 -1.493 1.00 . A A . 1 THR C 1 1 20 3061 1 1 1 THR CA C 2.949 0.315 -1.693 1.00 . A A . 1 THR CA 1 1 20 3062 1 1 1 THR CB C 3.941 1.230 -2.434 1.00 . A A . 1 THR CB 1 1 20 3063 1 1 1 THR CG2 C 3.452 1.530 -3.843 1.00 . A A . 1 THR CG2 1 1 20 3064 1 1 1 THR H1 H 3.093 1.593 -0.012 1.00 . A A . 1 THR H1 1 1 20 3065 1 1 1 THR HA H 2.067 0.203 -2.307 1.00 . A A . 1 THR HA 1 1 20 3066 1 1 1 THR HB H 4.894 0.724 -2.500 1.00 . A A . 1 THR HB 1 1 20 3067 1 1 1 THR HG1 H 3.321 2.992 -1.802 1.00 . A A . 1 THR HG1 1 1 20 3068 1 1 1 THR HG21 H 2.701 0.807 -4.125 1.00 . A A . 1 THR HG21 1 1 20 3069 1 1 1 THR HG22 H 4.282 1.474 -4.532 1.00 . A A . 1 THR HG22 1 1 20 3070 1 1 1 THR HG23 H 3.026 2.521 -3.872 1.00 . A A . 1 THR HG23 1 1 20 3071 1 1 1 THR N N 2.540 0.895 -0.420 1.00 . A A . 1 THR N 1 1 20 3072 1 1 1 THR O O 4.240 -1.304 -0.478 1.00 . A A . 1 THR O 1 1 20 3073 1 1 1 THR OG1 O 4.111 2.455 -1.712 1.00 . A A . 1 THR OG1 1 1 20 3074 1 1 2 VAL C C 5.442 -3.242 -2.032 1.00 . A A . 2 VAL C 1 1 20 3075 1 1 2 VAL CA C 3.963 -3.282 -2.399 1.00 . A A . 2 VAL CA 1 1 20 3076 1 1 2 VAL CB C 3.798 -4.028 -3.737 1.00 . A A . 2 VAL CB 1 1 20 3077 1 1 2 VAL CG1 C 2.359 -4.488 -3.917 1.00 . A A . 2 VAL CG1 1 1 20 3078 1 1 2 VAL CG2 C 4.234 -3.145 -4.896 1.00 . A A . 2 VAL CG2 1 1 20 3079 1 1 2 VAL H H 2.874 -1.680 -3.252 1.00 . A A . 2 VAL H 1 1 20 3080 1 1 2 VAL HA H 3.428 -3.829 -1.637 1.00 . A A . 2 VAL HA 1 1 20 3081 1 1 2 VAL HB H 4.432 -4.902 -3.719 1.00 . A A . 2 VAL HB 1 1 20 3082 1 1 2 VAL HG11 H 1.753 -3.654 -4.241 1.00 . A A . 2 VAL HG11 1 1 20 3083 1 1 2 VAL HG12 H 2.322 -5.271 -4.660 1.00 . A A . 2 VAL HG12 1 1 20 3084 1 1 2 VAL HG13 H 1.981 -4.863 -2.978 1.00 . A A . 2 VAL HG13 1 1 20 3085 1 1 2 VAL HG21 H 5.303 -2.998 -4.853 1.00 . A A . 2 VAL HG21 1 1 20 3086 1 1 2 VAL HG22 H 3.974 -3.622 -5.830 1.00 . A A . 2 VAL HG22 1 1 20 3087 1 1 2 VAL HG23 H 3.735 -2.190 -4.829 1.00 . A A . 2 VAL HG23 1 1 20 3088 1 1 2 VAL N N 3.402 -1.938 -2.468 1.00 . A A . 2 VAL N 1 1 20 3089 1 1 2 VAL O O 5.896 -3.979 -1.156 1.00 . A A . 2 VAL O 1 1 20 3090 1 1 3 TYR C C 7.877 -1.765 -1.027 1.00 . A A . 3 TYR C 1 1 20 3091 1 1 3 TYR CA C 7.620 -2.240 -2.454 1.00 . A A . 3 TYR CA 1 1 20 3092 1 1 3 TYR CB C 8.245 -1.261 -3.449 1.00 . A A . 3 TYR CB 1 1 20 3093 1 1 3 TYR CD1 C 10.389 -2.336 -4.238 1.00 . A A . 3 TYR CD1 1 1 20 3094 1 1 3 TYR CD2 C 10.543 -0.417 -2.833 1.00 . A A . 3 TYR CD2 1 1 20 3095 1 1 3 TYR CE1 C 11.768 -2.411 -4.295 1.00 . A A . 3 TYR CE1 1 1 20 3096 1 1 3 TYR CE2 C 11.922 -0.483 -2.885 1.00 . A A . 3 TYR CE2 1 1 20 3097 1 1 3 TYR CG C 9.754 -1.339 -3.508 1.00 . A A . 3 TYR CG 1 1 20 3098 1 1 3 TYR CZ C 12.530 -1.482 -3.617 1.00 . A A . 3 TYR CZ 1 1 20 3099 1 1 3 TYR H H 5.772 -1.815 -3.393 1.00 . A A . 3 TYR H 1 1 20 3100 1 1 3 TYR HA H 8.074 -3.211 -2.585 1.00 . A A . 3 TYR HA 1 1 20 3101 1 1 3 TYR HB2 H 7.864 -1.471 -4.437 1.00 . A A . 3 TYR HB2 1 1 20 3102 1 1 3 TYR HB3 H 7.975 -0.253 -3.170 1.00 . A A . 3 TYR HB3 1 1 20 3103 1 1 3 TYR HD1 H 9.790 -3.062 -4.768 1.00 . A A . 3 TYR HD1 1 1 20 3104 1 1 3 TYR HD2 H 10.064 0.365 -2.261 1.00 . A A . 3 TYR HD2 1 1 20 3105 1 1 3 TYR HE1 H 12.244 -3.193 -4.868 1.00 . A A . 3 TYR HE1 1 1 20 3106 1 1 3 TYR HE2 H 12.519 0.244 -2.354 1.00 . A A . 3 TYR HE2 1 1 20 3107 1 1 3 TYR HH H 14.274 -1.163 -2.875 1.00 . A A . 3 TYR HH 1 1 20 3108 1 1 3 TYR N N 6.190 -2.376 -2.707 1.00 . A A . 3 TYR N 1 1 20 3109 1 1 3 TYR O O 8.876 -2.133 -0.408 1.00 . A A . 3 TYR O 1 1 20 3110 1 1 3 TYR OH O 13.903 -1.553 -3.670 1.00 . A A . 3 TYR OH 1 1 20 3111 1 1 4 VAL C C 6.890 -1.520 1.881 1.00 . A A . 4 VAL C 1 1 20 3112 1 1 4 VAL CA C 7.093 -0.421 0.845 1.00 . A A . 4 VAL CA 1 1 20 3113 1 1 4 VAL CB C 6.079 0.709 1.106 1.00 . A A . 4 VAL CB 1 1 20 3114 1 1 4 VAL CG1 C 6.131 1.147 2.561 1.00 . A A . 4 VAL CG1 1 1 20 3115 1 1 4 VAL CG2 C 6.340 1.884 0.176 1.00 . A A . 4 VAL CG2 1 1 20 3116 1 1 4 VAL H H 6.192 -0.689 -1.051 1.00 . A A . 4 VAL H 1 1 20 3117 1 1 4 VAL HA H 8.088 -0.015 0.955 1.00 . A A . 4 VAL HA 1 1 20 3118 1 1 4 VAL HB H 5.088 0.329 0.902 1.00 . A A . 4 VAL HB 1 1 20 3119 1 1 4 VAL HG11 H 7.138 1.445 2.811 1.00 . A A . 4 VAL HG11 1 1 20 3120 1 1 4 VAL HG12 H 5.460 1.981 2.710 1.00 . A A . 4 VAL HG12 1 1 20 3121 1 1 4 VAL HG13 H 5.831 0.326 3.195 1.00 . A A . 4 VAL HG13 1 1 20 3122 1 1 4 VAL HG21 H 7.294 2.329 0.419 1.00 . A A . 4 VAL HG21 1 1 20 3123 1 1 4 VAL HG22 H 6.355 1.538 -0.847 1.00 . A A . 4 VAL HG22 1 1 20 3124 1 1 4 VAL HG23 H 5.559 2.619 0.296 1.00 . A A . 4 VAL HG23 1 1 20 3125 1 1 4 VAL N N 6.967 -0.946 -0.509 1.00 . A A . 4 VAL N 1 1 20 3126 1 1 4 VAL O O 7.465 -1.476 2.970 1.00 . A A . 4 VAL O 1 1 20 3127 1 1 5 TYR C C 6.900 -4.663 2.376 1.00 . A A . 5 TYR C 1 1 20 3128 1 1 5 TYR CA C 5.790 -3.618 2.438 1.00 . A A . 5 TYR CA 1 1 20 3129 1 1 5 TYR CB C 4.448 -4.262 2.086 1.00 . A A . 5 TYR CB 1 1 20 3130 1 1 5 TYR CD1 C 3.800 -6.196 3.574 1.00 . A A . 5 TYR CD1 1 1 20 3131 1 1 5 TYR CD2 C 2.958 -4.032 4.112 1.00 . A A . 5 TYR CD2 1 1 20 3132 1 1 5 TYR CE1 C 3.138 -6.730 4.663 1.00 . A A . 5 TYR CE1 1 1 20 3133 1 1 5 TYR CE2 C 2.294 -4.557 5.204 1.00 . A A . 5 TYR CE2 1 1 20 3134 1 1 5 TYR CG C 3.722 -4.840 3.279 1.00 . A A . 5 TYR CG 1 1 20 3135 1 1 5 TYR CZ C 2.387 -5.906 5.475 1.00 . A A . 5 TYR CZ 1 1 20 3136 1 1 5 TYR H H 5.643 -2.487 0.655 1.00 . A A . 5 TYR H 1 1 20 3137 1 1 5 TYR HA H 5.737 -3.225 3.442 1.00 . A A . 5 TYR HA 1 1 20 3138 1 1 5 TYR HB2 H 3.807 -3.519 1.637 1.00 . A A . 5 TYR HB2 1 1 20 3139 1 1 5 TYR HB3 H 4.614 -5.061 1.378 1.00 . A A . 5 TYR HB3 1 1 20 3140 1 1 5 TYR HD1 H 4.389 -6.839 2.936 1.00 . A A . 5 TYR HD1 1 1 20 3141 1 1 5 TYR HD2 H 2.887 -2.976 3.896 1.00 . A A . 5 TYR HD2 1 1 20 3142 1 1 5 TYR HE1 H 3.211 -7.786 4.876 1.00 . A A . 5 TYR HE1 1 1 20 3143 1 1 5 TYR HE2 H 1.706 -3.912 5.839 1.00 . A A . 5 TYR HE2 1 1 20 3144 1 1 5 TYR HH H 2.100 -6.072 7.368 1.00 . A A . 5 TYR HH 1 1 20 3145 1 1 5 TYR N N 6.071 -2.507 1.536 1.00 . A A . 5 TYR N 1 1 20 3146 1 1 5 TYR O O 6.992 -5.540 3.235 1.00 . A A . 5 TYR O 1 1 20 3147 1 1 5 TYR OH O 1.726 -6.432 6.561 1.00 . A A . 5 TYR OH 1 1 20 3148 1 1 6 SER C C 10.018 -5.138 2.078 1.00 . A A . 6 SER C 1 1 20 3149 1 1 6 SER CA C 8.844 -5.501 1.174 1.00 . A A . 6 SER CA 1 1 20 3150 1 1 6 SER CB C 9.297 -5.517 -0.287 1.00 . A A . 6 SER CB 1 1 20 3151 1 1 6 SER H H 7.616 -3.843 0.699 1.00 . A A . 6 SER H 1 1 20 3152 1 1 6 SER HA H 8.489 -6.485 1.442 1.00 . A A . 6 SER HA 1 1 20 3153 1 1 6 SER HB2 H 8.609 -6.113 -0.868 1.00 . A A . 6 SER HB2 1 1 20 3154 1 1 6 SER HB3 H 9.309 -4.506 -0.669 1.00 . A A . 6 SER HB3 1 1 20 3155 1 1 6 SER HG H 11.164 -5.448 -0.876 1.00 . A A . 6 SER HG 1 1 20 3156 1 1 6 SER N N 7.741 -4.563 1.352 1.00 . A A . 6 SER N 1 1 20 3157 1 1 6 SER O O 10.891 -5.964 2.342 1.00 . A A . 6 SER O 1 1 20 3158 1 1 6 SER OG O 10.597 -6.068 -0.412 1.00 . A A . 6 SER OG 1 1 20 3159 1 1 7 ARG C C 11.280 -4.356 4.615 1.00 . A A . 7 ARG C 1 1 20 3160 1 1 7 ARG CA C 11.097 -3.420 3.423 1.00 . A A . 7 ARG CA 1 1 20 3161 1 1 7 ARG CB C 10.790 -2.005 3.915 1.00 . A A . 7 ARG CB 1 1 20 3162 1 1 7 ARG CD C 9.195 -0.537 5.188 1.00 . A A . 7 ARG CD 1 1 20 3163 1 1 7 ARG CG C 9.713 -1.952 4.987 1.00 . A A . 7 ARG CG 1 1 20 3164 1 1 7 ARG CZ C 9.414 1.295 6.813 1.00 . A A . 7 ARG CZ 1 1 20 3165 1 1 7 ARG H H 9.306 -3.282 2.303 1.00 . A A . 7 ARG H 1 1 20 3166 1 1 7 ARG HA H 12.012 -3.402 2.851 1.00 . A A . 7 ARG HA 1 1 20 3167 1 1 7 ARG HB2 H 11.692 -1.574 4.322 1.00 . A A . 7 ARG HB2 1 1 20 3168 1 1 7 ARG HB3 H 10.462 -1.409 3.077 1.00 . A A . 7 ARG HB3 1 1 20 3169 1 1 7 ARG HD2 H 9.543 0.079 4.372 1.00 . A A . 7 ARG HD2 1 1 20 3170 1 1 7 ARG HD3 H 8.116 -0.559 5.187 1.00 . A A . 7 ARG HD3 1 1 20 3171 1 1 7 ARG HE H 10.173 -0.535 7.048 1.00 . A A . 7 ARG HE 1 1 20 3172 1 1 7 ARG HG2 H 8.890 -2.585 4.688 1.00 . A A . 7 ARG HG2 1 1 20 3173 1 1 7 ARG HG3 H 10.126 -2.311 5.917 1.00 . A A . 7 ARG HG3 1 1 20 3174 1 1 7 ARG HH11 H 8.374 1.758 5.145 1.00 . A A . 7 ARG HH11 1 1 20 3175 1 1 7 ARG HH12 H 8.535 3.041 6.299 1.00 . A A . 7 ARG HH12 1 1 20 3176 1 1 7 ARG HH21 H 10.393 1.145 8.575 1.00 . A A . 7 ARG HH21 1 1 20 3177 1 1 7 ARG HH22 H 9.685 2.691 8.249 1.00 . A A . 7 ARG HH22 1 1 20 3178 1 1 7 ARG N N 10.030 -3.895 2.550 1.00 . A A . 7 ARG N 1 1 20 3179 1 1 7 ARG NE N 9.657 0.041 6.447 1.00 . A A . 7 ARG NE 1 1 20 3180 1 1 7 ARG NH1 N 8.718 2.097 6.020 1.00 . A A . 7 ARG NH1 1 1 20 3181 1 1 7 ARG NH2 N 9.868 1.748 7.975 1.00 . A A . 7 ARG NH2 1 1 20 3182 1 1 7 ARG O O 12.382 -4.493 5.146 1.00 . A A . 7 ARG O 1 1 20 3183 1 1 8 VAL C C 11.261 -7.023 5.929 1.00 . A A . 8 VAL C 1 1 20 3184 1 1 8 VAL CA C 10.233 -5.920 6.158 1.00 . A A . 8 VAL CA 1 1 20 3185 1 1 8 VAL CB C 8.855 -6.561 6.409 1.00 . A A . 8 VAL CB 1 1 20 3186 1 1 8 VAL CG1 C 8.865 -7.358 7.704 1.00 . A A . 8 VAL CG1 1 1 20 3187 1 1 8 VAL CG2 C 7.770 -5.496 6.437 1.00 . A A . 8 VAL CG2 1 1 20 3188 1 1 8 VAL H H 9.342 -4.846 4.567 1.00 . A A . 8 VAL H 1 1 20 3189 1 1 8 VAL HA H 10.511 -5.359 7.039 1.00 . A A . 8 VAL HA 1 1 20 3190 1 1 8 VAL HB H 8.643 -7.240 5.596 1.00 . A A . 8 VAL HB 1 1 20 3191 1 1 8 VAL HG11 H 9.252 -8.349 7.514 1.00 . A A . 8 VAL HG11 1 1 20 3192 1 1 8 VAL HG12 H 9.490 -6.859 8.430 1.00 . A A . 8 VAL HG12 1 1 20 3193 1 1 8 VAL HG13 H 7.858 -7.434 8.087 1.00 . A A . 8 VAL HG13 1 1 20 3194 1 1 8 VAL HG21 H 7.128 -5.659 7.290 1.00 . A A . 8 VAL HG21 1 1 20 3195 1 1 8 VAL HG22 H 8.225 -4.519 6.511 1.00 . A A . 8 VAL HG22 1 1 20 3196 1 1 8 VAL HG23 H 7.185 -5.553 5.531 1.00 . A A . 8 VAL HG23 1 1 20 3197 1 1 8 VAL N N 10.192 -4.997 5.030 1.00 . A A . 8 VAL N 1 1 20 3198 1 1 8 VAL O O 11.873 -7.522 6.874 1.00 . A A . 8 VAL O 1 1 20 3199 1 1 9 LYS C C 13.395 -7.937 3.272 1.00 . A A . 9 LYS C 1 1 20 3200 1 1 9 LYS CA C 12.400 -8.442 4.313 1.00 . A A . 9 LYS CA 1 1 20 3201 1 1 9 LYS CB C 11.666 -9.673 3.777 1.00 . A A . 9 LYS CB 1 1 20 3202 1 1 9 LYS CD C 11.481 -9.770 1.274 1.00 . A A . 9 LYS CD 1 1 20 3203 1 1 9 LYS CE C 11.006 -11.126 0.774 1.00 . A A . 9 LYS CE 1 1 20 3204 1 1 9 LYS CG C 10.791 -9.382 2.571 1.00 . A A . 9 LYS CG 1 1 20 3205 1 1 9 LYS H H 10.927 -6.963 3.959 1.00 . A A . 9 LYS H 1 1 20 3206 1 1 9 LYS HA H 12.941 -8.716 5.206 1.00 . A A . 9 LYS HA 1 1 20 3207 1 1 9 LYS HB2 H 12.396 -10.418 3.496 1.00 . A A . 9 LYS HB2 1 1 20 3208 1 1 9 LYS HB3 H 11.040 -10.073 4.562 1.00 . A A . 9 LYS HB3 1 1 20 3209 1 1 9 LYS HD2 H 11.263 -9.026 0.523 1.00 . A A . 9 LYS HD2 1 1 20 3210 1 1 9 LYS HD3 H 12.548 -9.813 1.443 1.00 . A A . 9 LYS HD3 1 1 20 3211 1 1 9 LYS HE2 H 11.864 -11.703 0.466 1.00 . A A . 9 LYS HE2 1 1 20 3212 1 1 9 LYS HE3 H 10.500 -11.636 1.581 1.00 . A A . 9 LYS HE3 1 1 20 3213 1 1 9 LYS HG2 H 9.873 -9.944 2.659 1.00 . A A . 9 LYS HG2 1 1 20 3214 1 1 9 LYS HG3 H 10.567 -8.325 2.546 1.00 . A A . 9 LYS HG3 1 1 20 3215 1 1 9 LYS HZ1 H 9.099 -10.852 -0.035 1.00 . A A . 9 LYS HZ1 1 1 20 3216 1 1 9 LYS HZ2 H 10.097 -11.857 -0.959 1.00 . A A . 9 LYS HZ2 1 1 20 3217 1 1 9 LYS HZ3 H 10.342 -10.183 -0.968 1.00 . A A . 9 LYS HZ3 1 1 20 3218 1 1 9 LYS N N 11.445 -7.399 4.669 1.00 . A A . 9 LYS N 1 1 20 3219 1 1 9 LYS NZ N 10.071 -10.995 -0.378 1.00 . A A . 9 LYS NZ 1 1 20 3220 1 1 9 LYS O O 13.922 -6.830 3.388 1.00 . A A . 9 LYS O 1 1 stop_ save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 10:20:39 AM GMT (wattos1)