NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
566155 | 2m3n | 18970 | cing | 4-filtered-FRED | STAR | entry | full | 113 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m3n # This FRED archive file contains, for PDB entry <2m3n>: # # - 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_2m3n _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2m3n _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2137.57 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 $Peptide_leucine_arginine A . 1 1 stop_ save_ save_Peptide_leucine_arginine _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Peptide leucine arginine" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code LVRGCWTKSYPPKPCFVR _Entity.Number_of_monomers 18 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 LEU . 1 1 2 VAL . 1 1 3 ARG . 1 1 4 GLY . 1 1 5 CYS . 1 1 6 TRP . 1 1 7 THR . 1 1 8 LYS . 1 1 9 SER . 1 1 10 TYR . 1 1 11 PRO . 1 1 12 PRO . 1 1 13 LYS . 1 1 14 PRO . 1 1 15 CYS . 1 1 16 PHE . 1 1 17 VAL . 1 1 18 ARG . 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 LEU 1 1 1 1 VAL 2 2 1 1 ARG 3 3 1 1 GLY 4 4 1 1 CYS 5 5 1 1 TRP 6 6 1 1 THR 7 7 1 1 LYS 8 8 1 1 SER 9 9 1 1 TYR 10 10 1 1 PRO 11 11 1 1 PRO 12 12 1 1 LYS 13 13 1 1 PRO 14 14 1 1 CYS 15 15 1 1 PHE 16 16 1 1 VAL 17 17 1 1 ARG 18 18 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_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 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 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 LEU HA . 1 . HA 1 1 1 1 2 1 1 2 VAL H . 2 . HN 1 1 2 1 1 1 1 2 VAL H . 2 . HN 1 1 2 1 2 1 1 2 VAL HB . 2 . HB 1 1 3 1 1 1 1 2 VAL H . 2 . HN 1 1 3 1 2 1 1 2 VAL MG1 . 2 . HG1* 1 1 4 1 1 1 1 2 VAL HA . 2 . HA 1 1 4 1 2 1 1 3 ARG H . 3 . HN 1 1 5 1 1 1 1 3 ARG H . 3 . HN 1 1 5 1 2 1 1 3 ARG HB3 . 3 . HB1 1 1 6 1 1 1 1 3 ARG HB2 . 3 . HB2 1 1 6 1 2 1 1 4 GLY H . 4 . HN 1 1 7 1 1 1 1 4 GLY H . 4 . HN 1 1 7 1 2 1 1 5 CYS H . 5 . HN 1 1 8 1 1 1 1 5 CYS CB . 5 . CB 1 1 8 1 2 1 1 15 CYS SG . 15 . SG 1 1 9 1 1 1 1 5 CYS H . 5 . HN 1 1 9 1 2 1 1 5 CYS HB2 . 5 . HB2 1 1 10 1 1 1 1 5 CYS H . 5 . HN 1 1 10 1 2 1 1 5 CYS HB3 . 5 . HB1 1 1 11 1 1 1 1 5 CYS H . 5 . HN 1 1 11 1 2 1 1 6 TRP H . 6 . HN 1 1 12 1 1 1 1 5 CYS HA . 5 . HA 1 1 12 1 2 1 1 6 TRP H . 6 . HN 1 1 13 1 1 1 1 5 CYS HA . 5 . HA 1 1 13 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 14 1 1 1 1 5 CYS HA . 5 . HA 1 1 14 1 2 1 1 15 CYS HB3 . 15 . HB1 1 1 15 1 1 1 1 5 CYS HB2 . 5 . HB2 1 1 15 1 2 1 1 15 CYS H . 15 . HN 1 1 16 1 1 1 1 5 CYS HB3 . 5 . HB1 1 1 16 1 2 1 1 6 TRP H . 6 . HN 1 1 17 1 1 1 1 5 CYS SG . 5 . SG 1 1 17 1 2 1 1 15 CYS CB . 15 . CB 1 1 18 1 1 1 1 5 CYS SG . 5 . SG 1 1 18 1 2 1 1 15 CYS SG . 15 . SG 1 1 19 1 1 1 1 6 TRP H . 6 . HN 1 1 19 1 2 1 1 6 TRP HB2 . 6 . HB2 1 1 20 1 1 1 1 6 TRP H . 6 . HN 1 1 20 1 2 1 1 6 TRP HB3 . 6 . HB1 1 1 21 1 1 1 1 6 TRP H . 6 . HN 1 1 21 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 22 1 1 1 1 6 TRP H . 6 . HN 1 1 22 1 2 1 1 7 THR H . 7 . HN 1 1 23 1 1 1 1 6 TRP HA . 6 . HA 1 1 23 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 24 1 1 1 1 6 TRP HA . 6 . HA 1 1 24 1 2 1 1 7 THR H . 7 . HN 1 1 25 1 1 1 1 6 TRP HA . 6 . HA 1 1 25 1 2 1 1 7 THR MG . 7 . HG2* 1 1 26 1 1 1 1 6 TRP HA . 6 . HA 1 1 26 1 2 1 1 14 PRO HA . 14 . HA 1 1 27 1 1 1 1 6 TRP HA . 6 . HA 1 1 27 1 2 1 1 15 CYS H . 15 . HN 1 1 28 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1 28 1 2 1 1 7 THR H . 7 . HN 1 1 29 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1 29 1 2 1 1 14 PRO HB2 . 14 . HB2 1 1 30 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1 30 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 31 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1 31 1 2 1 1 7 THR H . 7 . HN 1 1 32 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1 32 1 2 1 1 13 LYS HA . 13 . HA 1 1 33 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1 33 1 2 1 1 13 LYS HB3 . 13 . HB1 1 1 34 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1 34 1 2 1 1 13 LYS HD2 . 13 . HD2 1 1 35 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1 35 1 2 1 1 14 PRO HD2 . 14 . HD2 1 1 36 1 1 1 1 6 TRP HZ3 . 6 . HZ3 1 1 36 1 2 1 1 14 PRO HD3 . 14 . HD1 1 1 37 1 1 1 1 7 THR H . 7 . HN 1 1 37 1 2 1 1 7 THR MG . 7 . HG2* 1 1 38 1 1 1 1 7 THR H . 7 . HN 1 1 38 1 2 1 1 8 LYS H . 8 . HN 1 1 39 1 1 1 1 7 THR H . 7 . HN 1 1 39 1 2 1 1 13 LYS H . 13 . HN 1 1 40 1 1 1 1 7 THR HA . 7 . HA 1 1 40 1 2 1 1 8 LYS H . 8 . HN 1 1 41 1 1 1 1 7 THR MG . 7 . HG2* 1 1 41 1 2 1 1 8 LYS H . 8 . HN 1 1 42 1 1 1 1 7 THR MG . 7 . HG2* 1 1 42 1 2 1 1 13 LYS H . 13 . HN 1 1 43 1 1 1 1 7 THR MG . 7 . HG2* 1 1 43 1 2 1 1 13 LYS HB3 . 13 . HB1 1 1 44 1 1 1 1 7 THR MG . 7 . HG2* 1 1 44 1 2 1 1 15 CYS H . 15 . HN 1 1 45 1 1 1 1 7 THR MG . 7 . HG2* 1 1 45 1 2 1 1 15 CYS HA . 15 . HA 1 1 46 1 1 1 1 7 THR MG . 7 . HG2* 1 1 46 1 2 1 1 15 CYS HB2 . 15 . HB2 1 1 47 1 1 1 1 7 THR MG . 7 . HG2* 1 1 47 1 2 1 1 16 PHE H . 16 . HN 1 1 48 1 1 1 1 7 THR O . 7 . O 1 1 48 1 2 1 1 13 LYS H . 13 . HN 1 1 49 1 1 1 1 7 THR O . 7 . O 1 1 49 1 2 1 1 13 LYS N . 13 . N 1 1 50 1 1 1 1 8 LYS H . 8 . HN 1 1 50 1 2 1 1 8 LYS HB2 . 8 . HB2 1 1 51 1 1 1 1 8 LYS H . 8 . HN 1 1 51 1 2 1 1 8 LYS HG2 . 8 . HG2 1 1 52 1 1 1 1 8 LYS H . 8 . HN 1 1 52 1 2 1 1 8 LYS HG3 . 8 . HG1 1 1 53 1 1 1 1 8 LYS H . 8 . HN 1 1 53 1 2 1 1 9 SER H . 9 . HN 1 1 54 1 1 1 1 8 LYS HA . 8 . HA 1 1 54 1 2 1 1 9 SER H . 9 . HN 1 1 55 1 1 1 1 9 SER H . 9 . HN 1 1 55 1 2 1 1 9 SER HB2 . 9 . HB2 1 1 56 1 1 1 1 9 SER H . 9 . HN 1 1 56 1 2 1 1 9 SER HB3 . 9 . HB1 1 1 57 1 1 1 1 9 SER H . 9 . HN 1 1 57 1 2 1 1 12 PRO HA . 12 . HA 1 1 58 1 1 1 1 9 SER HA . 9 . HA 1 1 58 1 2 1 1 10 TYR H . 10 . HN 1 1 59 1 1 1 1 9 SER HB3 . 9 . HB1 1 1 59 1 2 1 1 10 TYR H . 10 . HN 1 1 60 1 1 1 1 10 TYR H . 10 . HN 1 1 60 1 2 1 1 10 TYR HB2 . 10 . HB2 1 1 61 1 1 1 1 10 TYR H . 10 . HN 1 1 61 1 2 1 1 10 TYR HB3 . 10 . HB1 1 1 62 1 1 1 1 10 TYR HA . 10 . HA 1 1 62 1 2 1 1 10 TYR HB2 . 10 . HB2 1 1 63 1 1 1 1 10 TYR HA . 10 . HA 1 1 63 1 2 1 1 11 PRO HA . 11 . HA 1 1 64 1 1 1 1 10 TYR HA . 10 . HA 1 1 64 1 2 1 1 12 PRO HD2 . 12 . HD2 1 1 65 1 1 1 1 10 TYR HA . 10 . HA 1 1 65 1 2 1 1 12 PRO HD3 . 12 . HD1 1 1 66 1 1 1 1 10 TYR HB3 . 10 . HB1 1 1 66 1 2 1 1 11 PRO HA . 11 . HA 1 1 67 1 1 1 1 11 PRO HA . 11 . HA 1 1 67 1 2 1 1 12 PRO HD2 . 12 . HD2 1 1 68 1 1 1 1 11 PRO HA . 11 . HA 1 1 68 1 2 1 1 12 PRO HD3 . 12 . HD1 1 1 69 1 1 1 1 11 PRO HB2 . 11 . HB2 1 1 69 1 2 1 1 12 PRO HD3 . 12 . HD1 1 1 70 1 1 1 1 11 PRO HB3 . 11 . HB1 1 1 70 1 2 1 1 12 PRO HD3 . 12 . HD1 1 1 71 1 1 1 1 12 PRO HA . 12 . HA 1 1 71 1 2 1 1 12 PRO HG2 . 12 . HG2 1 1 72 1 1 1 1 12 PRO HA . 12 . HA 1 1 72 1 2 1 1 13 LYS H . 13 . HN 1 1 73 1 1 1 1 12 PRO HB2 . 12 . HB2 1 1 73 1 2 1 1 13 LYS H . 13 . HN 1 1 74 1 1 1 1 12 PRO HB3 . 12 . HB1 1 1 74 1 2 1 1 13 LYS H . 13 . HN 1 1 75 1 1 1 1 12 PRO HD3 . 12 . HD1 1 1 75 1 2 1 1 12 PRO HG3 . 12 . HG1 1 1 76 1 1 1 1 13 LYS H . 13 . HN 1 1 76 1 2 1 1 13 LYS HB2 . 13 . HB2 1 1 77 1 1 1 1 13 LYS H . 13 . HN 1 1 77 1 2 1 1 13 LYS HB3 . 13 . HB1 1 1 78 1 1 1 1 13 LYS H . 13 . HN 1 1 78 1 2 1 1 13 LYS HG2 . 13 . HG2 1 1 79 1 1 1 1 13 LYS H . 13 . HN 1 1 79 1 2 1 1 13 LYS HG3 . 13 . HG1 1 1 80 1 1 1 1 13 LYS H . 13 . HN 1 1 80 1 2 1 1 14 PRO HD2 . 14 . HD2 1 1 81 1 1 1 1 13 LYS HA . 13 . HA 1 1 81 1 2 1 1 14 PRO HD2 . 14 . HD2 1 1 82 1 1 1 1 13 LYS HA . 13 . HA 1 1 82 1 2 1 1 14 PRO HD3 . 14 . HD1 1 1 83 1 1 1 1 13 LYS HB2 . 13 . HB2 1 1 83 1 2 1 1 14 PRO HD2 . 14 . HD2 1 1 84 1 1 1 1 13 LYS HD2 . 13 . HD2 1 1 84 1 2 1 1 14 PRO HA . 14 . HA 1 1 85 1 1 1 1 14 PRO HA . 14 . HA 1 1 85 1 2 1 1 15 CYS H . 15 . HN 1 1 86 1 1 1 1 14 PRO HB2 . 14 . HB2 1 1 86 1 2 1 1 15 CYS H . 15 . HN 1 1 87 1 1 1 1 15 CYS H . 15 . HN 1 1 87 1 2 1 1 15 CYS HB3 . 15 . HB1 1 1 88 1 1 1 1 15 CYS H . 15 . HN 1 1 88 1 2 1 1 16 PHE H . 16 . HN 1 1 89 1 1 1 1 15 CYS HA . 15 . HA 1 1 89 1 2 1 1 16 PHE H . 16 . HN 1 1 90 1 1 1 1 15 CYS HB2 . 15 . HB2 1 1 90 1 2 1 1 16 PHE H . 16 . HN 1 1 91 1 1 1 1 15 CYS HB3 . 15 . HB1 1 1 91 1 2 1 1 16 PHE H . 16 . HN 1 1 92 1 1 1 1 16 PHE H . 16 . HN 1 1 92 1 2 1 1 17 VAL H . 17 . HN 1 1 93 1 1 1 1 16 PHE HA . 16 . HA 1 1 93 1 2 1 1 17 VAL H . 17 . HN 1 1 94 1 1 1 1 17 VAL H . 17 . HN 1 1 94 1 2 1 1 17 VAL HB . 17 . HB 1 1 95 1 1 1 1 17 VAL H . 17 . HN 1 1 95 1 2 1 1 18 ARG H . 18 . HN 1 1 96 1 1 1 1 17 VAL HA . 17 . HA 1 1 96 1 2 1 1 18 ARG H . 18 . HN 1 1 97 1 1 1 1 18 ARG H . 18 . HN 1 1 97 1 2 1 1 18 ARG HB2 . 18 . HB2 1 1 98 1 1 1 1 18 ARG H . 18 . HN 1 1 98 1 2 1 1 18 ARG HB3 . 18 . HB1 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 . . . . . 3.13 0.0 3.13 1 1 2 1 . . . . . 3.68 0.0 3.68 1 1 3 1 . . . . . 4.73 0.0 4.73 1 1 4 1 . . . . . 3.1 0.0 3.1 1 1 5 1 . . . . . 3.75 0.0 3.75 1 1 6 1 . . . . . 5.0 0.0 5.0 1 1 7 1 . . . . . 4.34 0.0 4.34 1 1 8 1 . . . . . 3.1 0.0 3.1 1 1 9 1 . . . . . . 0.0 3.66 1 1 10 1 . . . . . . 0.0 3.84 1 1 11 1 . . . . . 5.0 0.0 5.0 1 1 12 1 . . . . . 2.59 0.0 2.59 1 1 13 1 . . . . . 5.0 0.0 5.0 1 1 14 1 . . . . . 5.0 0.0 5.0 1 1 15 1 . . . . . . 0.0 4.53 1 1 16 1 . . . . . 4.31 0.0 4.31 1 1 17 1 . . . . . 3.1 0.0 3.1 1 1 18 1 . . . . . 2.0 0.0 2.0 1 1 19 1 . . . . . 4.12 0.0 4.12 1 1 20 1 . . . . . 3.19 0.0 3.19 1 1 21 1 . . . . . 4.62 0.0 4.62 1 1 22 1 . . . . . 5.0 0.0 5.0 1 1 23 1 . . . . . 5.0 0.0 5.0 1 1 24 1 . . . . . 3.01 0.0 3.01 1 1 25 1 . . . . . 5.0 0.0 5.0 1 1 26 1 . . . . . 3.47 0.0 3.47 1 1 27 1 . . . . . 4.17 0.0 4.17 1 1 28 1 . . . . . 4.15 0.0 4.15 1 1 29 1 . . . . . 4.2 0.0 4.2 1 1 30 1 . . . . . . 0.0 3.79 1 1 31 1 . . . . . 4.67 0.0 4.67 1 1 32 1 . . . . . 4.0 0.0 4.0 1 1 33 1 . . . . . 5.0 0.0 5.0 1 1 34 1 . . . . . 5.0 0.0 5.0 1 1 35 1 . . . . . . 0.0 3.84 1 1 36 1 . . . . . 5.0 0.0 5.0 1 1 37 1 . . . . . . 0.0 4.04 1 1 38 1 . . . . . 5.0 0.0 5.0 1 1 39 1 . . . . . 3.92 0.0 3.92 1 1 40 1 . . . . . 2.75 0.0 2.75 1 1 41 1 . . . . . 5.0 0.0 5.0 1 1 42 1 . . . . . 5.0 0.0 5.0 1 1 43 1 . . . . . 4.84 0.0 4.84 1 1 44 1 . . . . . 5.0 0.0 5.0 1 1 45 1 . . . . . 3.93 0.0 3.93 1 1 46 1 . . . . . 5.0 0.0 5.0 1 1 47 1 . . . . . 5.0 0.0 5.0 1 1 48 1 . . . . . 2.3 1.5 2.3 1 1 49 1 . . . . . 3.3 2.5 3.3 1 1 50 1 . . . . . 4.25 0.0 4.25 1 1 51 1 . . . . . 5.0 0.0 5.0 1 1 52 1 . . . . . 5.0 0.0 5.0 1 1 53 1 . . . . . 4.47 0.0 4.47 1 1 54 1 . . . . . . 0.0 3.07 1 1 55 1 . . . . . . 0.0 4.18 1 1 56 1 . . . . . . 0.0 3.9 1 1 57 1 . . . . . 4.45 0.0 4.45 1 1 58 1 . . . . . 3.07 0.0 3.07 1 1 59 1 . . . . . . 0.0 3.93 1 1 60 1 . . . . . . 0.0 3.34 1 1 61 1 . . . . . . 0.0 3.37 1 1 62 1 . . . . . 3.1 0.0 3.1 1 1 63 1 . . . . . 2.79 0.0 2.79 1 1 64 1 . . . . . 3.58 0.0 3.58 1 1 65 1 . . . . . 4.35 0.0 4.35 1 1 66 1 . . . . . 5.0 0.0 5.0 1 1 67 1 . . . . . 2.83 0.0 2.83 1 1 68 1 . . . . . 3.2 0.0 3.2 1 1 69 1 . . . . . 3.97 0.0 3.97 1 1 70 1 . . . . . 3.29 0.0 3.29 1 1 71 1 . . . . . 4.1 0.0 4.1 1 1 72 1 . . . . . 2.75 0.0 2.75 1 1 73 1 . . . . . . 0.0 4.48 1 1 74 1 . . . . . . 0.0 4.32 1 1 75 1 . . . . . 3.02 0.0 3.02 1 1 76 1 . . . . . 4.04 0.0 4.04 1 1 77 1 . . . . . 3.53 0.0 3.53 1 1 78 1 . . . . . 5.0 0.0 5.0 1 1 79 1 . . . . . 5.0 0.0 5.0 1 1 80 1 . . . . . 5.0 0.0 5.0 1 1 81 1 . . . . . 3.05 0.0 3.05 1 1 82 1 . . . . . 3.57 0.0 3.57 1 1 83 1 . . . . . 4.45 0.0 4.45 1 1 84 1 . . . . . 4.69 0.0 4.69 1 1 85 1 . . . . . 2.65 0.0 2.65 1 1 86 1 . . . . . 5.0 0.0 5.0 1 1 87 1 . . . . . 3.53 0.0 3.53 1 1 88 1 . . . . . 4.21 0.0 4.21 1 1 89 1 . . . . . . 0.0 2.86 1 1 90 1 . . . . . . 0.0 3.91 1 1 91 1 . . . . . 3.77 0.0 3.77 1 1 92 1 . . . . . 4.53 0.0 4.53 1 1 93 1 . . . . . 3.42 0.0 3.42 1 1 94 1 . . . . . . 0.0 3.7 1 1 95 1 . . . . . 4.22 0.0 4.22 1 1 96 1 . . . . . 2.88 0.0 2.88 1 1 97 1 . . . . . . 0.0 4.3 1 1 98 1 . . . . . . 0.0 3.81 1 1 stop_ save_ save_CNS/XPLOR_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 . 1 1 3 ARG C 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C -175.4 -57.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C 1 1 5 CYS N 80.8 198.8 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 3 . 1 1 4 GLY C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -153.1 -111.3 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 4 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C 1 1 6 TRP N 120.0 187.2 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 5 . 1 1 5 CYS C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -150.3 -90.5 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 6 . 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C 1 1 7 THR N 104.49999 157.5 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 7 . 1 1 6 TRP C 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C -95.2 -25.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 8 . 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C 1 1 8 LYS N 99.3 147.1 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 9 . 1 1 7 THR C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -141.6 -61.399998 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 10 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 SER N 105.2 169.2 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 11 . 1 1 8 LYS C 1 1 9 SER N 1 1 9 SER CA 1 1 9 SER C -160.0 -80.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 12 . 1 1 9 SER C 1 1 10 TYR N 1 1 10 TYR CA 1 1 10 TYR C -150.0 -89.99999 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 13 . 1 1 12 PRO C 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C -150.0 -89.99999 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 14 . 1 1 14 PRO C 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS C -95.0 -25.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 15 . 1 1 15 CYS C 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE C -150.0 -89.99999 . 15 . C . 16 . N . 16 . CA . 16 . C 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 LEU C C 7.888 5.129 -2.184 1.00 . A A . 1 LEU C 1 1 1 2 1 1 1 LEU CA C 8.439 5.909 -1.007 1.00 . A A . 1 LEU CA 1 1 1 3 1 1 1 LEU CB C 9.045 4.945 0.022 1.00 . A A . 1 LEU CB 1 1 1 4 1 1 1 LEU CD1 C 10.177 4.513 2.220 1.00 . A A . 1 LEU CD1 1 1 1 5 1 1 1 LEU CD2 C 10.813 6.524 0.879 1.00 . A A . 1 LEU CD2 1 1 1 6 1 1 1 LEU CG C 9.675 5.585 1.267 1.00 . A A . 1 LEU CG 1 1 1 7 1 1 1 LEU H1 H 6.811 7.213 -1.114 1.00 . A A . 1 LEU H1 1 1 1 8 1 1 1 LEU HA H 9.202 6.585 -1.364 1.00 . A A . 1 LEU HA 1 1 1 9 1 1 1 LEU HB2 H 8.263 4.275 0.349 1.00 . A A . 1 LEU HB2 1 1 1 10 1 1 1 LEU HB3 H 9.805 4.359 -0.475 1.00 . A A . 1 LEU HB3 1 1 1 11 1 1 1 LEU HD11 H 9.352 3.888 2.526 1.00 . A A . 1 LEU HD11 1 1 1 12 1 1 1 LEU HD12 H 10.617 4.980 3.087 1.00 . A A . 1 LEU HD12 1 1 1 13 1 1 1 LEU HD13 H 10.920 3.907 1.722 1.00 . A A . 1 LEU HD13 1 1 1 14 1 1 1 LEU HD21 H 10.432 7.323 0.261 1.00 . A A . 1 LEU HD21 1 1 1 15 1 1 1 LEU HD22 H 11.566 5.972 0.335 1.00 . A A . 1 LEU HD22 1 1 1 16 1 1 1 LEU HD23 H 11.252 6.941 1.773 1.00 . A A . 1 LEU HD23 1 1 1 17 1 1 1 LEU HG H 8.921 6.160 1.785 1.00 . A A . 1 LEU HG 1 1 1 18 1 1 1 LEU N N 7.367 6.696 -0.400 1.00 . A A . 1 LEU N 1 1 1 19 1 1 1 LEU O O 6.802 4.568 -2.102 1.00 . A A . 1 LEU O 1 1 1 20 1 1 2 VAL C C 8.630 2.980 -4.441 1.00 . A A . 2 VAL C 1 1 1 21 1 1 2 VAL CA C 8.186 4.435 -4.473 1.00 . A A . 2 VAL CA 1 1 1 22 1 1 2 VAL CB C 8.740 5.124 -5.755 1.00 . A A . 2 VAL CB 1 1 1 23 1 1 2 VAL CG1 C 8.211 4.446 -7.017 1.00 . A A . 2 VAL CG1 1 1 1 24 1 1 2 VAL CG2 C 8.393 6.609 -5.765 1.00 . A A . 2 VAL CG2 1 1 1 25 1 1 2 VAL H H 9.515 5.520 -3.289 1.00 . A A . 2 VAL H 1 1 1 26 1 1 2 VAL HA H 7.107 4.470 -4.496 1.00 . A A . 2 VAL HA 1 1 1 27 1 1 2 VAL HB H 9.815 5.025 -5.750 1.00 . A A . 2 VAL HB 1 1 1 28 1 1 2 VAL HG11 H 7.132 4.510 -7.035 1.00 . A A . 2 VAL HG11 1 1 1 29 1 1 2 VAL HG12 H 8.508 3.407 -7.019 1.00 . A A . 2 VAL HG12 1 1 1 30 1 1 2 VAL HG13 H 8.615 4.937 -7.890 1.00 . A A . 2 VAL HG13 1 1 1 31 1 1 2 VAL HG21 H 8.798 7.066 -6.656 1.00 . A A . 2 VAL HG21 1 1 1 32 1 1 2 VAL HG22 H 8.815 7.085 -4.893 1.00 . A A . 2 VAL HG22 1 1 1 33 1 1 2 VAL HG23 H 7.319 6.728 -5.760 1.00 . A A . 2 VAL HG23 1 1 1 34 1 1 2 VAL N N 8.628 5.106 -3.271 1.00 . A A . 2 VAL N 1 1 1 35 1 1 2 VAL O O 9.817 2.691 -4.400 1.00 . A A . 2 VAL O 1 1 1 36 1 1 3 ARG C C 6.614 -0.017 -4.884 1.00 . A A . 3 ARG C 1 1 1 37 1 1 3 ARG CA C 7.876 0.669 -4.420 1.00 . A A . 3 ARG CA 1 1 1 38 1 1 3 ARG CB C 8.428 0.101 -3.069 1.00 . A A . 3 ARG CB 1 1 1 39 1 1 3 ARG CD C 6.393 0.553 -1.583 1.00 . A A . 3 ARG CD 1 1 1 40 1 1 3 ARG CG C 7.885 0.734 -1.777 1.00 . A A . 3 ARG CG 1 1 1 41 1 1 3 ARG CZ C 4.965 2.191 -0.367 1.00 . A A . 3 ARG CZ 1 1 1 42 1 1 3 ARG H H 6.733 2.398 -4.369 1.00 . A A . 3 ARG H 1 1 1 43 1 1 3 ARG HA H 8.609 0.505 -5.197 1.00 . A A . 3 ARG HA 1 1 1 44 1 1 3 ARG HB2 H 8.205 -0.954 -3.028 1.00 . A A . 3 ARG HB2 1 1 1 45 1 1 3 ARG HB3 H 9.503 0.218 -3.074 1.00 . A A . 3 ARG HB3 1 1 1 46 1 1 3 ARG HD2 H 5.882 0.939 -2.451 1.00 . A A . 3 ARG HD2 1 1 1 47 1 1 3 ARG HD3 H 6.176 -0.499 -1.473 1.00 . A A . 3 ARG HD3 1 1 1 48 1 1 3 ARG HE H 6.438 1.046 0.430 1.00 . A A . 3 ARG HE 1 1 1 49 1 1 3 ARG HG2 H 8.388 0.287 -0.932 1.00 . A A . 3 ARG HG2 1 1 1 50 1 1 3 ARG HG3 H 8.111 1.790 -1.797 1.00 . A A . 3 ARG HG3 1 1 1 51 1 1 3 ARG HH11 H 4.321 1.833 -2.276 1.00 . A A . 3 ARG HH11 1 1 1 52 1 1 3 ARG HH12 H 3.478 3.072 -1.494 1.00 . A A . 3 ARG HH12 1 1 1 53 1 1 3 ARG HH21 H 5.251 2.736 1.592 1.00 . A A . 3 ARG HH21 1 1 1 54 1 1 3 ARG HH22 H 4.060 3.632 0.828 1.00 . A A . 3 ARG HH22 1 1 1 55 1 1 3 ARG N N 7.666 2.099 -4.398 1.00 . A A . 3 ARG N 1 1 1 56 1 1 3 ARG NE N 5.936 1.264 -0.383 1.00 . A A . 3 ARG NE 1 1 1 57 1 1 3 ARG NH1 N 4.205 2.377 -1.442 1.00 . A A . 3 ARG NH1 1 1 1 58 1 1 3 ARG NH2 N 4.734 2.881 0.748 1.00 . A A . 3 ARG NH2 1 1 1 59 1 1 3 ARG O O 5.522 0.529 -4.708 1.00 . A A . 3 ARG O 1 1 1 60 1 1 4 GLY C C 4.838 -2.635 -5.033 1.00 . A A . 4 GLY C 1 1 1 61 1 1 4 GLY CA C 5.644 -1.870 -6.051 1.00 . A A . 4 GLY CA 1 1 1 62 1 1 4 GLY H H 7.650 -1.585 -5.528 1.00 . A A . 4 GLY H 1 1 1 63 1 1 4 GLY HA2 H 4.998 -1.151 -6.533 1.00 . A A . 4 GLY HA2 1 1 1 64 1 1 4 GLY HA3 H 6.008 -2.561 -6.795 1.00 . A A . 4 GLY HA3 1 1 1 65 1 1 4 GLY N N 6.764 -1.174 -5.481 1.00 . A A . 4 GLY N 1 1 1 66 1 1 4 GLY O O 5.327 -3.579 -4.425 1.00 . A A . 4 GLY O 1 1 1 67 1 1 5 CYS C C 1.284 -2.634 -4.482 1.00 . A A . 5 CYS C 1 1 1 68 1 1 5 CYS CA C 2.697 -2.852 -3.968 1.00 . A A . 5 CYS CA 1 1 1 69 1 1 5 CYS CB C 2.872 -2.405 -2.507 1.00 . A A . 5 CYS CB 1 1 1 70 1 1 5 CYS H H 3.318 -1.363 -5.230 1.00 . A A . 5 CYS H 1 1 1 71 1 1 5 CYS HA H 2.885 -3.915 -4.034 1.00 . A A . 5 CYS HA 1 1 1 72 1 1 5 CYS HB2 H 1.941 -2.619 -2.008 1.00 . A A . 5 CYS HB2 1 1 1 73 1 1 5 CYS HB3 H 3.666 -2.976 -2.049 1.00 . A A . 5 CYS HB3 1 1 1 74 1 1 5 CYS N N 3.633 -2.197 -4.823 1.00 . A A . 5 CYS N 1 1 1 75 1 1 5 CYS O O 1.043 -1.737 -5.310 1.00 . A A . 5 CYS O 1 1 1 76 1 1 5 CYS SG S 3.202 -0.614 -2.213 1.00 . A A . 5 CYS SG 1 1 1 77 1 1 6 TRP C C -1.947 -3.793 -3.414 1.00 . A A . 6 TRP C 1 1 1 78 1 1 6 TRP CA C -0.985 -3.335 -4.507 1.00 . A A . 6 TRP CA 1 1 1 79 1 1 6 TRP CB C -1.089 -4.100 -5.853 1.00 . A A . 6 TRP CB 1 1 1 80 1 1 6 TRP CD1 C -1.910 -6.500 -5.640 1.00 . A A . 6 TRP CD1 1 1 1 81 1 1 6 TRP CD2 C -3.419 -5.060 -6.421 1.00 . A A . 6 TRP CD2 1 1 1 82 1 1 6 TRP CE2 C -4.005 -6.331 -6.374 1.00 . A A . 6 TRP CE2 1 1 1 83 1 1 6 TRP CE3 C -4.165 -3.986 -6.877 1.00 . A A . 6 TRP CE3 1 1 1 84 1 1 6 TRP CG C -2.093 -5.187 -5.947 1.00 . A A . 6 TRP CG 1 1 1 85 1 1 6 TRP CH2 C -6.023 -5.476 -7.218 1.00 . A A . 6 TRP CH2 1 1 1 86 1 1 6 TRP CZ2 C -5.313 -6.556 -6.773 1.00 . A A . 6 TRP CZ2 1 1 1 87 1 1 6 TRP CZ3 C -5.454 -4.194 -7.271 1.00 . A A . 6 TRP CZ3 1 1 1 88 1 1 6 TRP H H 0.544 -4.130 -3.371 1.00 . A A . 6 TRP H 1 1 1 89 1 1 6 TRP HA H -1.167 -2.286 -4.683 1.00 . A A . 6 TRP HA 1 1 1 90 1 1 6 TRP HB2 H -1.310 -3.400 -6.644 1.00 . A A . 6 TRP HB2 1 1 1 91 1 1 6 TRP HB3 H -0.118 -4.529 -6.059 1.00 . A A . 6 TRP HB3 1 1 1 92 1 1 6 TRP HD1 H -0.983 -6.898 -5.252 1.00 . A A . 6 TRP HD1 1 1 1 93 1 1 6 TRP HE1 H -3.180 -8.159 -5.753 1.00 . A A . 6 TRP HE1 1 1 1 94 1 1 6 TRP HE3 H -3.742 -2.994 -6.923 1.00 . A A . 6 TRP HE3 1 1 1 95 1 1 6 TRP HH2 H -7.045 -5.603 -7.541 1.00 . A A . 6 TRP HH2 1 1 1 96 1 1 6 TRP HZ2 H -5.764 -7.537 -6.737 1.00 . A A . 6 TRP HZ2 1 1 1 97 1 1 6 TRP HZ3 H -6.027 -3.341 -7.614 1.00 . A A . 6 TRP HZ3 1 1 1 98 1 1 6 TRP N N 0.359 -3.434 -4.037 1.00 . A A . 6 TRP N 1 1 1 99 1 1 6 TRP NE1 N -3.061 -7.199 -5.892 1.00 . A A . 6 TRP NE1 1 1 1 100 1 1 6 TRP O O -1.633 -4.718 -2.666 1.00 . A A . 6 TRP O 1 1 1 101 1 1 7 THR C C -5.110 -4.307 -2.708 1.00 . A A . 7 THR C 1 1 1 102 1 1 7 THR CA C -3.996 -3.386 -2.216 1.00 . A A . 7 THR CA 1 1 1 103 1 1 7 THR CB C -4.607 -2.069 -1.597 1.00 . A A . 7 THR CB 1 1 1 104 1 1 7 THR CG2 C -3.504 -1.064 -1.302 1.00 . A A . 7 THR CG2 1 1 1 105 1 1 7 THR H H -3.312 -2.404 -3.919 1.00 . A A . 7 THR H 1 1 1 106 1 1 7 THR HA H -3.449 -3.903 -1.441 1.00 . A A . 7 THR HA 1 1 1 107 1 1 7 THR HB H -5.113 -2.305 -0.672 1.00 . A A . 7 THR HB 1 1 1 108 1 1 7 THR HG1 H -5.087 -1.371 -3.368 1.00 . A A . 7 THR HG1 1 1 1 109 1 1 7 THR HG21 H -3.033 -0.807 -2.240 1.00 . A A . 7 THR HG21 1 1 1 110 1 1 7 THR HG22 H -2.773 -1.481 -0.627 1.00 . A A . 7 THR HG22 1 1 1 111 1 1 7 THR HG23 H -3.938 -0.170 -0.880 1.00 . A A . 7 THR HG23 1 1 1 112 1 1 7 THR N N -3.062 -3.104 -3.277 1.00 . A A . 7 THR N 1 1 1 113 1 1 7 THR O O -5.775 -4.025 -3.735 1.00 . A A . 7 THR O 1 1 1 114 1 1 7 THR OG1 O -5.513 -1.445 -2.506 1.00 . A A . 7 THR OG1 1 1 1 115 1 1 8 LYS C C -7.528 -5.925 -1.424 1.00 . A A . 8 LYS C 1 1 1 116 1 1 8 LYS CA C -6.377 -6.294 -2.337 1.00 . A A . 8 LYS CA 1 1 1 117 1 1 8 LYS CB C -5.969 -7.761 -2.110 1.00 . A A . 8 LYS CB 1 1 1 118 1 1 8 LYS CD C -6.678 -10.203 -2.056 1.00 . A A . 8 LYS CD 1 1 1 119 1 1 8 LYS CE C -5.449 -10.704 -2.806 1.00 . A A . 8 LYS CE 1 1 1 120 1 1 8 LYS CG C -7.065 -8.775 -2.449 1.00 . A A . 8 LYS CG 1 1 1 121 1 1 8 LYS H H -4.696 -5.618 -1.278 1.00 . A A . 8 LYS H 1 1 1 122 1 1 8 LYS HA H -6.662 -6.145 -3.367 1.00 . A A . 8 LYS HA 1 1 1 123 1 1 8 LYS HB2 H -5.108 -7.974 -2.726 1.00 . A A . 8 LYS HB2 1 1 1 124 1 1 8 LYS HB3 H -5.696 -7.887 -1.074 1.00 . A A . 8 LYS HB3 1 1 1 125 1 1 8 LYS HD2 H -6.466 -10.227 -0.997 1.00 . A A . 8 LYS HD2 1 1 1 126 1 1 8 LYS HD3 H -7.511 -10.858 -2.266 1.00 . A A . 8 LYS HD3 1 1 1 127 1 1 8 LYS HE2 H -5.653 -10.684 -3.866 1.00 . A A . 8 LYS HE2 1 1 1 128 1 1 8 LYS HE3 H -4.614 -10.055 -2.588 1.00 . A A . 8 LYS HE3 1 1 1 129 1 1 8 LYS HG2 H -7.965 -8.501 -1.918 1.00 . A A . 8 LYS HG2 1 1 1 130 1 1 8 LYS HG3 H -7.254 -8.739 -3.511 1.00 . A A . 8 LYS HG3 1 1 1 131 1 1 8 LYS HZ1 H -4.887 -12.136 -1.390 1.00 . A A . 8 LYS HZ1 1 1 1 132 1 1 8 LYS HZ2 H -4.256 -12.423 -2.933 1.00 . A A . 8 LYS HZ2 1 1 1 133 1 1 8 LYS HZ3 H -5.884 -12.741 -2.610 1.00 . A A . 8 LYS HZ3 1 1 1 134 1 1 8 LYS N N -5.293 -5.413 -2.026 1.00 . A A . 8 LYS N 1 1 1 135 1 1 8 LYS NZ N -5.093 -12.097 -2.409 1.00 . A A . 8 LYS NZ 1 1 1 136 1 1 8 LYS O O -7.509 -6.230 -0.231 1.00 . A A . 8 LYS O 1 1 1 137 1 1 9 SER C C -10.712 -4.480 -2.308 1.00 . A A . 9 SER C 1 1 1 138 1 1 9 SER CA C -9.647 -4.770 -1.264 1.00 . A A . 9 SER CA 1 1 1 139 1 1 9 SER CB C -9.296 -3.479 -0.483 1.00 . A A . 9 SER CB 1 1 1 140 1 1 9 SER H H -8.450 -5.020 -2.924 1.00 . A A . 9 SER H 1 1 1 141 1 1 9 SER HA H -9.987 -5.535 -0.582 1.00 . A A . 9 SER HA 1 1 1 142 1 1 9 SER HB2 H -8.942 -2.728 -1.175 1.00 . A A . 9 SER HB2 1 1 1 143 1 1 9 SER HB3 H -10.182 -3.114 0.015 1.00 . A A . 9 SER HB3 1 1 1 144 1 1 9 SER HG H -7.993 -4.630 0.393 1.00 . A A . 9 SER HG 1 1 1 145 1 1 9 SER N N -8.484 -5.245 -1.971 1.00 . A A . 9 SER N 1 1 1 146 1 1 9 SER O O -10.588 -4.941 -3.443 1.00 . A A . 9 SER O 1 1 1 147 1 1 9 SER OG O -8.284 -3.713 0.487 1.00 . A A . 9 SER OG 1 1 1 148 1 1 10 TYR C C -13.104 -1.896 -2.548 1.00 . A A . 10 TYR C 1 1 1 149 1 1 10 TYR CA C -12.746 -3.343 -2.871 1.00 . A A . 10 TYR CA 1 1 1 150 1 1 10 TYR CB C -13.984 -4.251 -2.785 1.00 . A A . 10 TYR CB 1 1 1 151 1 1 10 TYR CD1 C -14.933 -4.284 -5.127 1.00 . A A . 10 TYR CD1 1 1 1 152 1 1 10 TYR CD2 C -16.211 -3.219 -3.419 1.00 . A A . 10 TYR CD2 1 1 1 153 1 1 10 TYR CE1 C -15.910 -3.976 -6.053 1.00 . A A . 10 TYR CE1 1 1 1 154 1 1 10 TYR CE2 C -17.191 -2.906 -4.341 1.00 . A A . 10 TYR CE2 1 1 1 155 1 1 10 TYR CG C -15.065 -3.914 -3.795 1.00 . A A . 10 TYR CG 1 1 1 156 1 1 10 TYR CZ C -17.035 -3.287 -5.656 1.00 . A A . 10 TYR CZ 1 1 1 157 1 1 10 TYR H H -11.834 -3.449 -1.017 1.00 . A A . 10 TYR H 1 1 1 158 1 1 10 TYR HA H -12.322 -3.388 -3.869 1.00 . A A . 10 TYR HA 1 1 1 159 1 1 10 TYR HB2 H -13.684 -5.275 -2.952 1.00 . A A . 10 TYR HB2 1 1 1 160 1 1 10 TYR HB3 H -14.412 -4.166 -1.797 1.00 . A A . 10 TYR HB3 1 1 1 161 1 1 10 TYR HD1 H -14.052 -4.824 -5.436 1.00 . A A . 10 TYR HD1 1 1 1 162 1 1 10 TYR HD2 H -16.331 -2.922 -2.387 1.00 . A A . 10 TYR HD2 1 1 1 163 1 1 10 TYR HE1 H -15.790 -4.274 -7.085 1.00 . A A . 10 TYR HE1 1 1 1 164 1 1 10 TYR HE2 H -18.073 -2.367 -4.030 1.00 . A A . 10 TYR HE2 1 1 1 165 1 1 10 TYR HH H -18.315 -2.078 -6.442 1.00 . A A . 10 TYR HH 1 1 1 166 1 1 10 TYR N N -11.735 -3.756 -1.942 1.00 . A A . 10 TYR N 1 1 1 167 1 1 10 TYR O O -13.568 -1.611 -1.451 1.00 . A A . 10 TYR O 1 1 1 168 1 1 10 TYR OH O -18.007 -2.977 -6.578 1.00 . A A . 10 TYR OH 1 1 1 169 1 1 11 PRO C C -10.788 -1.633 -4.705 1.00 . A A . 11 PRO C 1 1 1 170 1 1 11 PRO CA C -12.285 -1.273 -4.776 1.00 . A A . 11 PRO CA 1 1 1 171 1 1 11 PRO CB C -12.480 0.001 -5.593 1.00 . A A . 11 PRO CB 1 1 1 172 1 1 11 PRO CD C -13.111 0.464 -3.330 1.00 . A A . 11 PRO CD 1 1 1 173 1 1 11 PRO CG C -13.329 0.900 -4.749 1.00 . A A . 11 PRO CG 1 1 1 174 1 1 11 PRO HA H -12.863 -2.066 -5.221 1.00 . A A . 11 PRO HA 1 1 1 175 1 1 11 PRO HB2 H -11.511 0.420 -5.822 1.00 . A A . 11 PRO HB2 1 1 1 176 1 1 11 PRO HB3 H -13.003 -0.279 -6.494 1.00 . A A . 11 PRO HB3 1 1 1 177 1 1 11 PRO HD2 H -12.255 0.965 -2.904 1.00 . A A . 11 PRO HD2 1 1 1 178 1 1 11 PRO HD3 H -13.993 0.640 -2.733 1.00 . A A . 11 PRO HD3 1 1 1 179 1 1 11 PRO HG2 H -13.023 1.926 -4.887 1.00 . A A . 11 PRO HG2 1 1 1 180 1 1 11 PRO HG3 H -14.370 0.777 -5.007 1.00 . A A . 11 PRO HG3 1 1 1 181 1 1 11 PRO N N -12.859 -0.965 -3.477 1.00 . A A . 11 PRO N 1 1 1 182 1 1 11 PRO O O -10.049 -1.085 -3.894 1.00 . A A . 11 PRO O 1 1 1 183 1 1 12 PRO C C -8.086 -1.940 -6.226 1.00 . A A . 12 PRO C 1 1 1 184 1 1 12 PRO CA C -8.958 -3.027 -5.590 1.00 . A A . 12 PRO CA 1 1 1 185 1 1 12 PRO CB C -9.006 -4.269 -6.498 1.00 . A A . 12 PRO CB 1 1 1 186 1 1 12 PRO CD C -11.200 -3.331 -6.463 1.00 . A A . 12 PRO CD 1 1 1 187 1 1 12 PRO CG C -10.448 -4.601 -6.680 1.00 . A A . 12 PRO CG 1 1 1 188 1 1 12 PRO HA H -8.572 -3.286 -4.615 1.00 . A A . 12 PRO HA 1 1 1 189 1 1 12 PRO HB2 H -8.540 -4.035 -7.444 1.00 . A A . 12 PRO HB2 1 1 1 190 1 1 12 PRO HB3 H -8.504 -5.098 -6.022 1.00 . A A . 12 PRO HB3 1 1 1 191 1 1 12 PRO HD2 H -11.324 -2.772 -7.373 1.00 . A A . 12 PRO HD2 1 1 1 192 1 1 12 PRO HD3 H -12.173 -3.517 -6.040 1.00 . A A . 12 PRO HD3 1 1 1 193 1 1 12 PRO HG2 H -10.613 -4.976 -7.680 1.00 . A A . 12 PRO HG2 1 1 1 194 1 1 12 PRO HG3 H -10.756 -5.331 -5.947 1.00 . A A . 12 PRO HG3 1 1 1 195 1 1 12 PRO N N -10.359 -2.595 -5.525 1.00 . A A . 12 PRO N 1 1 1 196 1 1 12 PRO O O -8.453 -1.378 -7.267 1.00 . A A . 12 PRO O 1 1 1 197 1 1 13 LYS C C -4.650 -0.772 -5.862 1.00 . A A . 13 LYS C 1 1 1 198 1 1 13 LYS CA C -6.141 -0.542 -6.120 1.00 . A A . 13 LYS CA 1 1 1 199 1 1 13 LYS CB C -6.622 0.729 -5.389 1.00 . A A . 13 LYS CB 1 1 1 200 1 1 13 LYS CD C -5.738 2.436 -7.045 1.00 . A A . 13 LYS CD 1 1 1 201 1 1 13 LYS CE C -4.940 3.731 -7.202 1.00 . A A . 13 LYS CE 1 1 1 202 1 1 13 LYS CG C -5.801 2.004 -5.593 1.00 . A A . 13 LYS CG 1 1 1 203 1 1 13 LYS H H -6.613 -2.147 -4.848 1.00 . A A . 13 LYS H 1 1 1 204 1 1 13 LYS HA H -6.339 -0.414 -7.172 1.00 . A A . 13 LYS HA 1 1 1 205 1 1 13 LYS HB2 H -7.638 0.935 -5.691 1.00 . A A . 13 LYS HB2 1 1 1 206 1 1 13 LYS HB3 H -6.620 0.475 -4.340 1.00 . A A . 13 LYS HB3 1 1 1 207 1 1 13 LYS HD2 H -5.237 1.641 -7.579 1.00 . A A . 13 LYS HD2 1 1 1 208 1 1 13 LYS HD3 H -6.739 2.571 -7.429 1.00 . A A . 13 LYS HD3 1 1 1 209 1 1 13 LYS HE2 H -4.995 4.053 -8.230 1.00 . A A . 13 LYS HE2 1 1 1 210 1 1 13 LYS HE3 H -5.381 4.486 -6.569 1.00 . A A . 13 LYS HE3 1 1 1 211 1 1 13 LYS HG2 H -6.243 2.803 -5.016 1.00 . A A . 13 LYS HG2 1 1 1 212 1 1 13 LYS HG3 H -4.798 1.824 -5.235 1.00 . A A . 13 LYS HG3 1 1 1 213 1 1 13 LYS HZ1 H -3.005 4.473 -6.744 1.00 . A A . 13 LYS HZ1 1 1 1 214 1 1 13 LYS HZ2 H -3.005 2.970 -7.518 1.00 . A A . 13 LYS HZ2 1 1 1 215 1 1 13 LYS HZ3 H -3.416 3.047 -5.926 1.00 . A A . 13 LYS HZ3 1 1 1 216 1 1 13 LYS N N -6.941 -1.641 -5.631 1.00 . A A . 13 LYS N 1 1 1 217 1 1 13 LYS NZ N -3.503 3.566 -6.828 1.00 . A A . 13 LYS NZ 1 1 1 218 1 1 13 LYS O O -4.280 -1.174 -4.775 1.00 . A A . 13 LYS O 1 1 1 219 1 1 14 PRO C C -1.986 0.478 -5.538 1.00 . A A . 14 PRO C 1 1 1 220 1 1 14 PRO CA C -2.313 -0.570 -6.623 1.00 . A A . 14 PRO CA 1 1 1 221 1 1 14 PRO CB C -1.709 -0.169 -7.982 1.00 . A A . 14 PRO CB 1 1 1 222 1 1 14 PRO CD C -4.057 -0.519 -8.310 1.00 . A A . 14 PRO CD 1 1 1 223 1 1 14 PRO CG C -2.874 0.237 -8.836 1.00 . A A . 14 PRO CG 1 1 1 224 1 1 14 PRO HA H -1.971 -1.544 -6.316 1.00 . A A . 14 PRO HA 1 1 1 225 1 1 14 PRO HB2 H -1.009 0.640 -7.837 1.00 . A A . 14 PRO HB2 1 1 1 226 1 1 14 PRO HB3 H -1.213 -1.016 -8.433 1.00 . A A . 14 PRO HB3 1 1 1 227 1 1 14 PRO HD2 H -4.975 0.003 -8.532 1.00 . A A . 14 PRO HD2 1 1 1 228 1 1 14 PRO HD3 H -4.086 -1.508 -8.744 1.00 . A A . 14 PRO HD3 1 1 1 229 1 1 14 PRO HG2 H -3.032 1.302 -8.749 1.00 . A A . 14 PRO HG2 1 1 1 230 1 1 14 PRO HG3 H -2.697 -0.038 -9.864 1.00 . A A . 14 PRO HG3 1 1 1 231 1 1 14 PRO N N -3.760 -0.591 -6.872 1.00 . A A . 14 PRO N 1 1 1 232 1 1 14 PRO O O -2.739 1.460 -5.381 1.00 . A A . 14 PRO O 1 1 1 233 1 1 15 CYS C C -0.274 2.581 -4.115 1.00 . A A . 15 CYS C 1 1 1 234 1 1 15 CYS CA C -0.631 1.160 -3.690 1.00 . A A . 15 CYS CA 1 1 1 235 1 1 15 CYS CB C 0.466 0.562 -2.787 1.00 . A A . 15 CYS CB 1 1 1 236 1 1 15 CYS H H -0.215 -0.357 -5.028 1.00 . A A . 15 CYS H 1 1 1 237 1 1 15 CYS HA H -1.542 1.211 -3.114 1.00 . A A . 15 CYS HA 1 1 1 238 1 1 15 CYS HB2 H 0.579 1.179 -1.909 1.00 . A A . 15 CYS HB2 1 1 1 239 1 1 15 CYS HB3 H 0.163 -0.429 -2.483 1.00 . A A . 15 CYS HB3 1 1 1 240 1 1 15 CYS N N -0.902 0.310 -4.814 1.00 . A A . 15 CYS N 1 1 1 241 1 1 15 CYS O O -0.269 2.937 -5.308 1.00 . A A . 15 CYS O 1 1 1 242 1 1 15 CYS SG S 2.108 0.425 -3.564 1.00 . A A . 15 CYS SG 1 1 1 243 1 1 16 PHE C C 1.804 4.907 -3.054 1.00 . A A . 16 PHE C 1 1 1 244 1 1 16 PHE CA C 0.327 4.757 -3.344 1.00 . A A . 16 PHE CA 1 1 1 245 1 1 16 PHE CB C -0.502 5.680 -2.442 1.00 . A A . 16 PHE CB 1 1 1 246 1 1 16 PHE CD1 C -2.573 6.292 -3.727 1.00 . A A . 16 PHE CD1 1 1 1 247 1 1 16 PHE CD2 C -2.793 4.797 -1.881 1.00 . A A . 16 PHE CD2 1 1 1 248 1 1 16 PHE CE1 C -3.933 6.208 -3.960 1.00 . A A . 16 PHE CE1 1 1 1 249 1 1 16 PHE CE2 C -4.153 4.710 -2.108 1.00 . A A . 16 PHE CE2 1 1 1 250 1 1 16 PHE CG C -1.987 5.589 -2.687 1.00 . A A . 16 PHE CG 1 1 1 251 1 1 16 PHE CZ C -4.724 5.416 -3.149 1.00 . A A . 16 PHE CZ 1 1 1 252 1 1 16 PHE H H -0.122 2.982 -2.254 1.00 . A A . 16 PHE H 1 1 1 253 1 1 16 PHE HA H 0.143 5.007 -4.379 1.00 . A A . 16 PHE HA 1 1 1 254 1 1 16 PHE HB2 H -0.318 5.419 -1.410 1.00 . A A . 16 PHE HB2 1 1 1 255 1 1 16 PHE HB3 H -0.196 6.702 -2.607 1.00 . A A . 16 PHE HB3 1 1 1 256 1 1 16 PHE HD1 H -1.956 6.911 -4.362 1.00 . A A . 16 PHE HD1 1 1 1 257 1 1 16 PHE HD2 H -2.348 4.245 -1.067 1.00 . A A . 16 PHE HD2 1 1 1 258 1 1 16 PHE HE1 H -4.378 6.761 -4.774 1.00 . A A . 16 PHE HE1 1 1 1 259 1 1 16 PHE HE2 H -4.768 4.090 -1.473 1.00 . A A . 16 PHE HE2 1 1 1 260 1 1 16 PHE HZ H -5.787 5.349 -3.330 1.00 . A A . 16 PHE HZ 1 1 1 261 1 1 16 PHE N N -0.048 3.379 -3.146 1.00 . A A . 16 PHE N 1 1 1 262 1 1 16 PHE O O 2.347 4.157 -2.246 1.00 . A A . 16 PHE O 1 1 1 263 1 1 17 VAL C C 4.314 6.769 -2.226 1.00 . A A . 17 VAL C 1 1 1 264 1 1 17 VAL CA C 3.892 6.110 -3.554 1.00 . A A . 17 VAL CA 1 1 1 265 1 1 17 VAL CB C 4.433 6.935 -4.753 1.00 . A A . 17 VAL CB 1 1 1 266 1 1 17 VAL CG1 C 4.260 6.162 -6.053 1.00 . A A . 17 VAL CG1 1 1 1 267 1 1 17 VAL CG2 C 3.738 8.295 -4.848 1.00 . A A . 17 VAL CG2 1 1 1 268 1 1 17 VAL H H 1.922 6.513 -4.218 1.00 . A A . 17 VAL H 1 1 1 269 1 1 17 VAL HA H 4.350 5.133 -3.586 1.00 . A A . 17 VAL HA 1 1 1 270 1 1 17 VAL HB H 5.489 7.100 -4.595 1.00 . A A . 17 VAL HB 1 1 1 271 1 1 17 VAL HG11 H 4.638 6.751 -6.876 1.00 . A A . 17 VAL HG11 1 1 1 272 1 1 17 VAL HG12 H 3.212 5.954 -6.212 1.00 . A A . 17 VAL HG12 1 1 1 273 1 1 17 VAL HG13 H 4.806 5.232 -5.997 1.00 . A A . 17 VAL HG13 1 1 1 274 1 1 17 VAL HG21 H 2.676 8.147 -4.986 1.00 . A A . 17 VAL HG21 1 1 1 275 1 1 17 VAL HG22 H 4.137 8.846 -5.686 1.00 . A A . 17 VAL HG22 1 1 1 276 1 1 17 VAL HG23 H 3.907 8.850 -3.937 1.00 . A A . 17 VAL HG23 1 1 1 277 1 1 17 VAL N N 2.435 5.892 -3.662 1.00 . A A . 17 VAL N 1 1 1 278 1 1 17 VAL O O 5.398 7.367 -2.121 1.00 . A A . 17 VAL O 1 1 1 279 1 1 18 ARG C C 4.279 5.991 0.975 1.00 . A A . 18 ARG C 1 1 1 280 1 1 18 ARG CA C 3.790 7.126 0.078 1.00 . A A . 18 ARG CA 1 1 1 281 1 1 18 ARG CB C 2.584 7.912 0.676 1.00 . A A . 18 ARG CB 1 1 1 282 1 1 18 ARG CD C 0.768 7.066 2.218 1.00 . A A . 18 ARG CD 1 1 1 283 1 1 18 ARG CG C 1.256 7.148 0.771 1.00 . A A . 18 ARG CG 1 1 1 284 1 1 18 ARG CZ C 1.789 6.381 4.397 1.00 . A A . 18 ARG CZ 1 1 1 285 1 1 18 ARG H H 2.718 6.041 -1.360 1.00 . A A . 18 ARG H 1 1 1 286 1 1 18 ARG HA H 4.625 7.800 -0.054 1.00 . A A . 18 ARG HA 1 1 1 287 1 1 18 ARG HB2 H 2.847 8.225 1.674 1.00 . A A . 18 ARG HB2 1 1 1 288 1 1 18 ARG HB3 H 2.424 8.794 0.074 1.00 . A A . 18 ARG HB3 1 1 1 289 1 1 18 ARG HD2 H 0.634 8.067 2.600 1.00 . A A . 18 ARG HD2 1 1 1 290 1 1 18 ARG HD3 H -0.175 6.541 2.242 1.00 . A A . 18 ARG HD3 1 1 1 291 1 1 18 ARG HE H 2.390 5.831 2.532 1.00 . A A . 18 ARG HE 1 1 1 292 1 1 18 ARG HG2 H 0.510 7.653 0.175 1.00 . A A . 18 ARG HG2 1 1 1 293 1 1 18 ARG HG3 H 1.404 6.146 0.394 1.00 . A A . 18 ARG HG3 1 1 1 294 1 1 18 ARG HH11 H 0.153 7.575 4.638 1.00 . A A . 18 ARG HH11 1 1 1 295 1 1 18 ARG HH12 H 0.894 7.116 6.103 1.00 . A A . 18 ARG HH12 1 1 1 296 1 1 18 ARG HH21 H 3.433 5.197 4.483 1.00 . A A . 18 ARG HH21 1 1 1 297 1 1 18 ARG HH22 H 2.867 5.687 6.017 1.00 . A A . 18 ARG HH22 1 1 1 298 1 1 18 ARG N N 3.508 6.602 -1.222 1.00 . A A . 18 ARG N 1 1 1 299 1 1 18 ARG NE N 1.732 6.355 3.065 1.00 . A A . 18 ARG NE 1 1 1 300 1 1 18 ARG NH1 N 0.883 7.071 5.102 1.00 . A A . 18 ARG NH1 1 1 1 301 1 1 18 ARG NH2 N 2.759 5.711 5.023 1.00 . A A . 18 ARG NH2 1 1 1 302 1 1 18 ARG O O 3.454 5.185 1.453 1.00 . A A . 18 ARG O 1 1 1 303 1 1 18 ARG OXT O 5.493 5.861 1.143 1.00 . A A . 18 ARG OXT 1 1 2 304 1 1 1 LEU C C 8.653 3.730 -7.813 1.00 . A A . 1 LEU C 1 1 2 305 1 1 1 LEU CA C 9.669 4.703 -8.360 1.00 . A A . 1 LEU CA 1 1 2 306 1 1 1 LEU CB C 11.095 4.065 -8.369 1.00 . A A . 1 LEU CB 1 1 2 307 1 1 1 LEU CD1 C 12.926 2.696 -7.316 1.00 . A A . 1 LEU CD1 1 1 2 308 1 1 1 LEU CD2 C 12.029 4.634 -6.057 1.00 . A A . 1 LEU CD2 1 1 2 309 1 1 1 LEU CG C 11.677 3.514 -7.035 1.00 . A A . 1 LEU CG 1 1 2 310 1 1 1 LEU H1 H 8.614 6.275 -7.691 1.00 . A A . 1 LEU H1 1 1 2 311 1 1 1 LEU HA H 9.373 4.957 -9.369 1.00 . A A . 1 LEU HA 1 1 2 312 1 1 1 LEU HB2 H 11.080 3.247 -9.074 1.00 . A A . 1 LEU HB2 1 1 2 313 1 1 1 LEU HB3 H 11.780 4.810 -8.747 1.00 . A A . 1 LEU HB3 1 1 2 314 1 1 1 LEU HD11 H 13.663 3.319 -7.799 1.00 . A A . 1 LEU HD11 1 1 2 315 1 1 1 LEU HD12 H 12.676 1.865 -7.960 1.00 . A A . 1 LEU HD12 1 1 2 316 1 1 1 LEU HD13 H 13.327 2.321 -6.387 1.00 . A A . 1 LEU HD13 1 1 2 317 1 1 1 LEU HD21 H 12.748 5.300 -6.512 1.00 . A A . 1 LEU HD21 1 1 2 318 1 1 1 LEU HD22 H 12.452 4.207 -5.161 1.00 . A A . 1 LEU HD22 1 1 2 319 1 1 1 LEU HD23 H 11.139 5.187 -5.797 1.00 . A A . 1 LEU HD23 1 1 2 320 1 1 1 LEU HG H 10.948 2.864 -6.573 1.00 . A A . 1 LEU HG 1 1 2 321 1 1 1 LEU N N 9.598 5.929 -7.567 1.00 . A A . 1 LEU N 1 1 2 322 1 1 1 LEU O O 8.518 3.603 -6.590 1.00 . A A . 1 LEU O 1 1 2 323 1 1 2 VAL C C 7.489 0.823 -7.851 1.00 . A A . 2 VAL C 1 1 2 324 1 1 2 VAL CA C 6.894 2.156 -8.269 1.00 . A A . 2 VAL CA 1 1 2 325 1 1 2 VAL CB C 5.815 1.940 -9.369 1.00 . A A . 2 VAL CB 1 1 2 326 1 1 2 VAL CG1 C 5.081 3.241 -9.660 1.00 . A A . 2 VAL CG1 1 1 2 327 1 1 2 VAL CG2 C 6.432 1.380 -10.651 1.00 . A A . 2 VAL CG2 1 1 2 328 1 1 2 VAL H H 8.085 3.187 -9.644 1.00 . A A . 2 VAL H 1 1 2 329 1 1 2 VAL HA H 6.415 2.591 -7.404 1.00 . A A . 2 VAL HA 1 1 2 330 1 1 2 VAL HB H 5.095 1.228 -8.993 1.00 . A A . 2 VAL HB 1 1 2 331 1 1 2 VAL HG11 H 4.590 3.586 -8.762 1.00 . A A . 2 VAL HG11 1 1 2 332 1 1 2 VAL HG12 H 4.345 3.076 -10.432 1.00 . A A . 2 VAL HG12 1 1 2 333 1 1 2 VAL HG13 H 5.790 3.985 -9.991 1.00 . A A . 2 VAL HG13 1 1 2 334 1 1 2 VAL HG21 H 7.168 2.073 -11.028 1.00 . A A . 2 VAL HG21 1 1 2 335 1 1 2 VAL HG22 H 5.658 1.237 -11.391 1.00 . A A . 2 VAL HG22 1 1 2 336 1 1 2 VAL HG23 H 6.906 0.433 -10.439 1.00 . A A . 2 VAL HG23 1 1 2 337 1 1 2 VAL N N 7.928 3.077 -8.685 1.00 . A A . 2 VAL N 1 1 2 338 1 1 2 VAL O O 8.620 0.499 -8.201 1.00 . A A . 2 VAL O 1 1 2 339 1 1 3 ARG C C 5.928 -2.087 -6.785 1.00 . A A . 3 ARG C 1 1 2 340 1 1 3 ARG CA C 7.137 -1.210 -6.609 1.00 . A A . 3 ARG CA 1 1 2 341 1 1 3 ARG CB C 7.552 -1.247 -5.107 1.00 . A A . 3 ARG CB 1 1 2 342 1 1 3 ARG CD C 8.465 1.078 -4.597 1.00 . A A . 3 ARG CD 1 1 2 343 1 1 3 ARG CG C 8.777 -0.411 -4.679 1.00 . A A . 3 ARG CG 1 1 2 344 1 1 3 ARG CZ C 6.376 2.247 -3.863 1.00 . A A . 3 ARG CZ 1 1 2 345 1 1 3 ARG H H 5.863 0.403 -6.780 1.00 . A A . 3 ARG H 1 1 2 346 1 1 3 ARG HA H 7.946 -1.570 -7.229 1.00 . A A . 3 ARG HA 1 1 2 347 1 1 3 ARG HB2 H 6.713 -0.898 -4.524 1.00 . A A . 3 ARG HB2 1 1 2 348 1 1 3 ARG HB3 H 7.732 -2.278 -4.851 1.00 . A A . 3 ARG HB3 1 1 2 349 1 1 3 ARG HD2 H 9.348 1.606 -4.269 1.00 . A A . 3 ARG HD2 1 1 2 350 1 1 3 ARG HD3 H 8.180 1.426 -5.580 1.00 . A A . 3 ARG HD3 1 1 2 351 1 1 3 ARG HE H 7.378 0.796 -2.846 1.00 . A A . 3 ARG HE 1 1 2 352 1 1 3 ARG HG2 H 9.107 -0.746 -3.707 1.00 . A A . 3 ARG HG2 1 1 2 353 1 1 3 ARG HG3 H 9.569 -0.567 -5.397 1.00 . A A . 3 ARG HG3 1 1 2 354 1 1 3 ARG HH11 H 7.189 3.070 -5.563 1.00 . A A . 3 ARG HH11 1 1 2 355 1 1 3 ARG HH12 H 5.693 3.728 -5.101 1.00 . A A . 3 ARG HH12 1 1 2 356 1 1 3 ARG HH21 H 5.300 1.787 -2.169 1.00 . A A . 3 ARG HH21 1 1 2 357 1 1 3 ARG HH22 H 4.612 3.006 -3.125 1.00 . A A . 3 ARG HH22 1 1 2 358 1 1 3 ARG N N 6.752 0.097 -7.058 1.00 . A A . 3 ARG N 1 1 2 359 1 1 3 ARG NE N 7.360 1.352 -3.655 1.00 . A A . 3 ARG NE 1 1 2 360 1 1 3 ARG NH1 N 6.429 3.063 -4.903 1.00 . A A . 3 ARG NH1 1 1 2 361 1 1 3 ARG NH2 N 5.370 2.348 -2.993 1.00 . A A . 3 ARG NH2 1 1 2 362 1 1 3 ARG O O 4.824 -1.564 -6.999 1.00 . A A . 3 ARG O 1 1 2 363 1 1 4 GLY C C 4.146 -4.276 -5.535 1.00 . A A . 4 GLY C 1 1 2 364 1 1 4 GLY CA C 4.989 -4.299 -6.790 1.00 . A A . 4 GLY CA 1 1 2 365 1 1 4 GLY H H 7.002 -3.746 -6.528 1.00 . A A . 4 GLY H 1 1 2 366 1 1 4 GLY HA2 H 4.380 -4.015 -7.635 1.00 . A A . 4 GLY HA2 1 1 2 367 1 1 4 GLY HA3 H 5.364 -5.301 -6.941 1.00 . A A . 4 GLY HA3 1 1 2 368 1 1 4 GLY N N 6.106 -3.384 -6.683 1.00 . A A . 4 GLY N 1 1 2 369 1 1 4 GLY O O 4.309 -5.105 -4.658 1.00 . A A . 4 GLY O 1 1 2 370 1 1 5 CYS C C 1.112 -2.685 -4.780 1.00 . A A . 5 CYS C 1 1 2 371 1 1 5 CYS CA C 2.432 -3.127 -4.301 1.00 . A A . 5 CYS CA 1 1 2 372 1 1 5 CYS CB C 3.006 -2.106 -3.349 1.00 . A A . 5 CYS CB 1 1 2 373 1 1 5 CYS H H 3.233 -2.635 -6.166 1.00 . A A . 5 CYS H 1 1 2 374 1 1 5 CYS HA H 2.232 -4.039 -3.766 1.00 . A A . 5 CYS HA 1 1 2 375 1 1 5 CYS HB2 H 4.067 -2.224 -3.304 1.00 . A A . 5 CYS HB2 1 1 2 376 1 1 5 CYS HB3 H 2.857 -1.131 -3.779 1.00 . A A . 5 CYS HB3 1 1 2 377 1 1 5 CYS N N 3.291 -3.292 -5.437 1.00 . A A . 5 CYS N 1 1 2 378 1 1 5 CYS O O 0.992 -1.665 -5.481 1.00 . A A . 5 CYS O 1 1 2 379 1 1 5 CYS SG S 2.274 -2.128 -1.673 1.00 . A A . 5 CYS SG 1 1 2 380 1 1 6 TRP C C -2.112 -3.726 -3.735 1.00 . A A . 6 TRP C 1 1 2 381 1 1 6 TRP CA C -1.184 -3.202 -4.827 1.00 . A A . 6 TRP CA 1 1 2 382 1 1 6 TRP CB C -1.319 -3.814 -6.232 1.00 . A A . 6 TRP CB 1 1 2 383 1 1 6 TRP CD1 C -2.564 -5.998 -6.281 1.00 . A A . 6 TRP CD1 1 1 2 384 1 1 6 TRP CD2 C -3.661 -4.282 -7.170 1.00 . A A . 6 TRP CD2 1 1 2 385 1 1 6 TRP CE2 C -4.465 -5.417 -7.299 1.00 . A A . 6 TRP CE2 1 1 2 386 1 1 6 TRP CE3 C -4.119 -3.071 -7.647 1.00 . A A . 6 TRP CE3 1 1 2 387 1 1 6 TRP CG C -2.473 -4.672 -6.522 1.00 . A A . 6 TRP CG 1 1 2 388 1 1 6 TRP CH2 C -6.144 -4.143 -8.363 1.00 . A A . 6 TRP CH2 1 1 2 389 1 1 6 TRP CZ2 C -5.717 -5.368 -7.903 1.00 . A A . 6 TRP CZ2 1 1 2 390 1 1 6 TRP CZ3 C -5.346 -3.000 -8.232 1.00 . A A . 6 TRP CZ3 1 1 2 391 1 1 6 TRP H H 0.275 -4.191 -3.815 1.00 . A A . 6 TRP H 1 1 2 392 1 1 6 TRP HA H -1.306 -2.133 -4.881 1.00 . A A . 6 TRP HA 1 1 2 393 1 1 6 TRP HB2 H -1.349 -3.009 -6.952 1.00 . A A . 6 TRP HB2 1 1 2 394 1 1 6 TRP HB3 H -0.421 -4.384 -6.424 1.00 . A A . 6 TRP HB3 1 1 2 395 1 1 6 TRP HD1 H -1.763 -6.534 -5.787 1.00 . A A . 6 TRP HD1 1 1 2 396 1 1 6 TRP HE1 H -4.079 -7.398 -6.692 1.00 . A A . 6 TRP HE1 1 1 2 397 1 1 6 TRP HE3 H -3.518 -2.179 -7.554 1.00 . A A . 6 TRP HE3 1 1 2 398 1 1 6 TRP HH2 H -7.111 -4.048 -8.833 1.00 . A A . 6 TRP HH2 1 1 2 399 1 1 6 TRP HZ2 H -6.340 -6.245 -8.007 1.00 . A A . 6 TRP HZ2 1 1 2 400 1 1 6 TRP HZ3 H -5.682 -2.026 -8.565 1.00 . A A . 6 TRP HZ3 1 1 2 401 1 1 6 TRP N N 0.133 -3.428 -4.418 1.00 . A A . 6 TRP N 1 1 2 402 1 1 6 TRP NE1 N -3.770 -6.470 -6.748 1.00 . A A . 6 TRP NE1 1 1 2 403 1 1 6 TRP O O -1.880 -4.802 -3.193 1.00 . A A . 6 TRP O 1 1 2 404 1 1 7 THR C C -5.116 -4.076 -2.611 1.00 . A A . 7 THR C 1 1 2 405 1 1 7 THR CA C -3.911 -3.256 -2.225 1.00 . A A . 7 THR CA 1 1 2 406 1 1 7 THR CB C -4.364 -1.954 -1.429 1.00 . A A . 7 THR CB 1 1 2 407 1 1 7 THR CG2 C -3.196 -1.001 -1.279 1.00 . A A . 7 THR CG2 1 1 2 408 1 1 7 THR H H -3.372 -2.157 -3.901 1.00 . A A . 7 THR H 1 1 2 409 1 1 7 THR HA H -3.297 -3.850 -1.562 1.00 . A A . 7 THR HA 1 1 2 410 1 1 7 THR HB H -4.698 -2.242 -0.442 1.00 . A A . 7 THR HB 1 1 2 411 1 1 7 THR HG1 H -6.256 -1.640 -1.824 1.00 . A A . 7 THR HG1 1 1 2 412 1 1 7 THR HG21 H -3.509 -0.132 -0.722 1.00 . A A . 7 THR HG21 1 1 2 413 1 1 7 THR HG22 H -2.903 -0.694 -2.273 1.00 . A A . 7 THR HG22 1 1 2 414 1 1 7 THR HG23 H -2.370 -1.494 -0.791 1.00 . A A . 7 THR HG23 1 1 2 415 1 1 7 THR N N -3.111 -2.945 -3.373 1.00 . A A . 7 THR N 1 1 2 416 1 1 7 THR O O -5.908 -3.682 -3.494 1.00 . A A . 7 THR O 1 1 2 417 1 1 7 THR OG1 O -5.425 -1.225 -2.107 1.00 . A A . 7 THR OG1 1 1 2 418 1 1 8 LYS C C -7.516 -5.377 -1.334 1.00 . A A . 8 LYS C 1 1 2 419 1 1 8 LYS CA C -6.436 -5.999 -2.190 1.00 . A A . 8 LYS CA 1 1 2 420 1 1 8 LYS CB C -6.241 -7.479 -1.826 1.00 . A A . 8 LYS CB 1 1 2 421 1 1 8 LYS CD C -7.323 -9.760 -1.602 1.00 . A A . 8 LYS CD 1 1 2 422 1 1 8 LYS CE C -8.638 -10.527 -1.718 1.00 . A A . 8 LYS CE 1 1 2 423 1 1 8 LYS CG C -7.511 -8.307 -2.010 1.00 . A A . 8 LYS CG 1 1 2 424 1 1 8 LYS H H -4.531 -5.535 -1.410 1.00 . A A . 8 LYS H 1 1 2 425 1 1 8 LYS HA H -6.722 -5.908 -3.229 1.00 . A A . 8 LYS HA 1 1 2 426 1 1 8 LYS HB2 H -5.464 -7.895 -2.451 1.00 . A A . 8 LYS HB2 1 1 2 427 1 1 8 LYS HB3 H -5.938 -7.547 -0.792 1.00 . A A . 8 LYS HB3 1 1 2 428 1 1 8 LYS HD2 H -6.589 -10.217 -2.247 1.00 . A A . 8 LYS HD2 1 1 2 429 1 1 8 LYS HD3 H -6.983 -9.797 -0.577 1.00 . A A . 8 LYS HD3 1 1 2 430 1 1 8 LYS HE2 H -8.983 -10.477 -2.740 1.00 . A A . 8 LYS HE2 1 1 2 431 1 1 8 LYS HE3 H -8.467 -11.558 -1.446 1.00 . A A . 8 LYS HE3 1 1 2 432 1 1 8 LYS HG2 H -8.293 -7.876 -1.404 1.00 . A A . 8 LYS HG2 1 1 2 433 1 1 8 LYS HG3 H -7.802 -8.266 -3.049 1.00 . A A . 8 LYS HG3 1 1 2 434 1 1 8 LYS HZ1 H -9.793 -8.940 -1.008 1.00 . A A . 8 LYS HZ1 1 1 2 435 1 1 8 LYS HZ2 H -9.427 -10.072 0.174 1.00 . A A . 8 LYS HZ2 1 1 2 436 1 1 8 LYS HZ3 H -10.627 -10.377 -0.987 1.00 . A A . 8 LYS HZ3 1 1 2 437 1 1 8 LYS N N -5.252 -5.229 -1.997 1.00 . A A . 8 LYS N 1 1 2 438 1 1 8 LYS NZ N -9.685 -9.957 -0.825 1.00 . A A . 8 LYS NZ 1 1 2 439 1 1 8 LYS O O -7.527 -5.515 -0.114 1.00 . A A . 8 LYS O 1 1 2 440 1 1 9 SER C C -10.665 -4.207 -2.169 1.00 . A A . 9 SER C 1 1 2 441 1 1 9 SER CA C -9.431 -3.973 -1.327 1.00 . A A . 9 SER CA 1 1 2 442 1 1 9 SER CB C -9.051 -2.482 -1.299 1.00 . A A . 9 SER CB 1 1 2 443 1 1 9 SER H H -8.329 -4.618 -2.943 1.00 . A A . 9 SER H 1 1 2 444 1 1 9 SER HA H -9.569 -4.340 -0.322 1.00 . A A . 9 SER HA 1 1 2 445 1 1 9 SER HB2 H -9.080 -2.083 -2.302 1.00 . A A . 9 SER HB2 1 1 2 446 1 1 9 SER HB3 H -9.749 -1.942 -0.676 1.00 . A A . 9 SER HB3 1 1 2 447 1 1 9 SER HG H -7.598 -3.044 -0.151 1.00 . A A . 9 SER HG 1 1 2 448 1 1 9 SER N N -8.376 -4.681 -1.966 1.00 . A A . 9 SER N 1 1 2 449 1 1 9 SER O O -10.629 -5.067 -3.063 1.00 . A A . 9 SER O 1 1 2 450 1 1 9 SER OG O -7.728 -2.311 -0.766 1.00 . A A . 9 SER OG 1 1 2 451 1 1 10 TYR C C -13.405 -2.180 -2.909 1.00 . A A . 10 TYR C 1 1 2 452 1 1 10 TYR CA C -12.898 -3.605 -2.676 1.00 . A A . 10 TYR CA 1 1 2 453 1 1 10 TYR CB C -13.955 -4.416 -1.950 1.00 . A A . 10 TYR CB 1 1 2 454 1 1 10 TYR CD1 C -13.430 -6.802 -2.635 1.00 . A A . 10 TYR CD1 1 1 2 455 1 1 10 TYR CD2 C -13.296 -6.235 -0.323 1.00 . A A . 10 TYR CD2 1 1 2 456 1 1 10 TYR CE1 C -13.049 -8.098 -2.340 1.00 . A A . 10 TYR CE1 1 1 2 457 1 1 10 TYR CE2 C -12.921 -7.526 -0.021 1.00 . A A . 10 TYR CE2 1 1 2 458 1 1 10 TYR CG C -13.557 -5.846 -1.632 1.00 . A A . 10 TYR CG 1 1 2 459 1 1 10 TYR CZ C -12.796 -8.453 -1.032 1.00 . A A . 10 TYR CZ 1 1 2 460 1 1 10 TYR H H -11.877 -2.939 -1.120 1.00 . A A . 10 TYR H 1 1 2 461 1 1 10 TYR HA H -12.649 -4.085 -3.614 1.00 . A A . 10 TYR HA 1 1 2 462 1 1 10 TYR HB2 H -14.180 -3.915 -1.019 1.00 . A A . 10 TYR HB2 1 1 2 463 1 1 10 TYR HB3 H -14.824 -4.403 -2.572 1.00 . A A . 10 TYR HB3 1 1 2 464 1 1 10 TYR HD1 H -13.629 -6.518 -3.658 1.00 . A A . 10 TYR HD1 1 1 2 465 1 1 10 TYR HD2 H -13.395 -5.507 0.469 1.00 . A A . 10 TYR HD2 1 1 2 466 1 1 10 TYR HE1 H -12.955 -8.828 -3.132 1.00 . A A . 10 TYR HE1 1 1 2 467 1 1 10 TYR HE2 H -12.722 -7.806 1.002 1.00 . A A . 10 TYR HE2 1 1 2 468 1 1 10 TYR HH H -13.056 -10.073 -0.085 1.00 . A A . 10 TYR HH 1 1 2 469 1 1 10 TYR N N -11.745 -3.528 -1.887 1.00 . A A . 10 TYR N 1 1 2 470 1 1 10 TYR O O -13.971 -1.580 -2.006 1.00 . A A . 10 TYR O 1 1 2 471 1 1 10 TYR OH O -12.408 -9.751 -0.725 1.00 . A A . 10 TYR OH 1 1 2 472 1 1 11 PRO C C -10.833 -2.167 -4.866 1.00 . A A . 11 PRO C 1 1 2 473 1 1 11 PRO CA C -12.344 -2.218 -5.127 1.00 . A A . 11 PRO CA 1 1 2 474 1 1 11 PRO CB C -12.684 -1.424 -6.384 1.00 . A A . 11 PRO CB 1 1 2 475 1 1 11 PRO CD C -13.592 -0.274 -4.494 1.00 . A A . 11 PRO CD 1 1 2 476 1 1 11 PRO CG C -13.747 -0.451 -5.977 1.00 . A A . 11 PRO CG 1 1 2 477 1 1 11 PRO HA H -12.647 -3.244 -5.274 1.00 . A A . 11 PRO HA 1 1 2 478 1 1 11 PRO HB2 H -11.782 -0.951 -6.747 1.00 . A A . 11 PRO HB2 1 1 2 479 1 1 11 PRO HB3 H -13.057 -2.148 -7.092 1.00 . A A . 11 PRO HB3 1 1 2 480 1 1 11 PRO HD2 H -12.854 0.484 -4.274 1.00 . A A . 11 PRO HD2 1 1 2 481 1 1 11 PRO HD3 H -14.539 -0.034 -4.033 1.00 . A A . 11 PRO HD3 1 1 2 482 1 1 11 PRO HG2 H -13.602 0.486 -6.496 1.00 . A A . 11 PRO HG2 1 1 2 483 1 1 11 PRO HG3 H -14.724 -0.857 -6.191 1.00 . A A . 11 PRO HG3 1 1 2 484 1 1 11 PRO N N -13.130 -1.592 -4.080 1.00 . A A . 11 PRO N 1 1 2 485 1 1 11 PRO O O -10.333 -1.297 -4.143 1.00 . A A . 11 PRO O 1 1 2 486 1 1 12 PRO C C -7.954 -2.127 -6.063 1.00 . A A . 12 PRO C 1 1 2 487 1 1 12 PRO CA C -8.669 -3.236 -5.279 1.00 . A A . 12 PRO CA 1 1 2 488 1 1 12 PRO CB C -8.352 -4.632 -5.821 1.00 . A A . 12 PRO CB 1 1 2 489 1 1 12 PRO CD C -10.684 -4.204 -6.239 1.00 . A A . 12 PRO CD 1 1 2 490 1 1 12 PRO CG C -9.493 -4.985 -6.720 1.00 . A A . 12 PRO CG 1 1 2 491 1 1 12 PRO HA H -8.381 -3.161 -4.241 1.00 . A A . 12 PRO HA 1 1 2 492 1 1 12 PRO HB2 H -7.416 -4.606 -6.360 1.00 . A A . 12 PRO HB2 1 1 2 493 1 1 12 PRO HB3 H -8.300 -5.345 -5.012 1.00 . A A . 12 PRO HB3 1 1 2 494 1 1 12 PRO HD2 H -11.252 -3.764 -7.041 1.00 . A A . 12 PRO HD2 1 1 2 495 1 1 12 PRO HD3 H -11.389 -4.773 -5.659 1.00 . A A . 12 PRO HD3 1 1 2 496 1 1 12 PRO HG2 H -9.247 -4.715 -7.736 1.00 . A A . 12 PRO HG2 1 1 2 497 1 1 12 PRO HG3 H -9.704 -6.042 -6.652 1.00 . A A . 12 PRO HG3 1 1 2 498 1 1 12 PRO N N -10.116 -3.135 -5.418 1.00 . A A . 12 PRO N 1 1 2 499 1 1 12 PRO O O -8.386 -1.748 -7.154 1.00 . A A . 12 PRO O 1 1 2 500 1 1 13 LYS C C -4.713 -0.496 -5.704 1.00 . A A . 13 LYS C 1 1 2 501 1 1 13 LYS CA C -6.225 -0.434 -6.057 1.00 . A A . 13 LYS CA 1 1 2 502 1 1 13 LYS CB C -6.954 0.749 -5.389 1.00 . A A . 13 LYS CB 1 1 2 503 1 1 13 LYS CD C -5.311 2.702 -5.304 1.00 . A A . 13 LYS CD 1 1 2 504 1 1 13 LYS CE C -5.274 2.830 -3.753 1.00 . A A . 13 LYS CE 1 1 2 505 1 1 13 LYS CG C -6.632 2.168 -5.838 1.00 . A A . 13 LYS CG 1 1 2 506 1 1 13 LYS H H -6.474 -2.036 -4.715 1.00 . A A . 13 LYS H 1 1 2 507 1 1 13 LYS HA H -6.375 -0.397 -7.126 1.00 . A A . 13 LYS HA 1 1 2 508 1 1 13 LYS HB2 H -8.019 0.602 -5.493 1.00 . A A . 13 LYS HB2 1 1 2 509 1 1 13 LYS HB3 H -6.693 0.639 -4.350 1.00 . A A . 13 LYS HB3 1 1 2 510 1 1 13 LYS HD2 H -4.572 1.978 -5.619 1.00 . A A . 13 LYS HD2 1 1 2 511 1 1 13 LYS HD3 H -5.101 3.659 -5.761 1.00 . A A . 13 LYS HD3 1 1 2 512 1 1 13 LYS HE2 H -4.523 3.558 -3.487 1.00 . A A . 13 LYS HE2 1 1 2 513 1 1 13 LYS HE3 H -6.239 3.185 -3.420 1.00 . A A . 13 LYS HE3 1 1 2 514 1 1 13 LYS HG2 H -6.598 2.191 -6.916 1.00 . A A . 13 LYS HG2 1 1 2 515 1 1 13 LYS HG3 H -7.431 2.814 -5.503 1.00 . A A . 13 LYS HG3 1 1 2 516 1 1 13 LYS HZ1 H -5.619 0.761 -3.200 1.00 . A A . 13 LYS HZ1 1 1 2 517 1 1 13 LYS HZ2 H -4.863 1.695 -2.019 1.00 . A A . 13 LYS HZ2 1 1 2 518 1 1 13 LYS HZ3 H -4.036 1.198 -3.399 1.00 . A A . 13 LYS HZ3 1 1 2 519 1 1 13 LYS N N -6.874 -1.607 -5.505 1.00 . A A . 13 LYS N 1 1 2 520 1 1 13 LYS NZ N -4.953 1.544 -3.042 1.00 . A A . 13 LYS NZ 1 1 2 521 1 1 13 LYS O O -4.386 -0.938 -4.632 1.00 . A A . 13 LYS O 1 1 2 522 1 1 14 PRO C C -1.865 0.604 -5.013 1.00 . A A . 14 PRO C 1 1 2 523 1 1 14 PRO CA C -2.297 -0.126 -6.320 1.00 . A A . 14 PRO CA 1 1 2 524 1 1 14 PRO CB C -1.677 0.555 -7.550 1.00 . A A . 14 PRO CB 1 1 2 525 1 1 14 PRO CD C -4.041 0.545 -7.909 1.00 . A A . 14 PRO CD 1 1 2 526 1 1 14 PRO CG C -2.791 1.335 -8.168 1.00 . A A . 14 PRO CG 1 1 2 527 1 1 14 PRO HA H -1.991 -1.159 -6.284 1.00 . A A . 14 PRO HA 1 1 2 528 1 1 14 PRO HB2 H -0.857 1.183 -7.235 1.00 . A A . 14 PRO HB2 1 1 2 529 1 1 14 PRO HB3 H -1.329 -0.189 -8.250 1.00 . A A . 14 PRO HB3 1 1 2 530 1 1 14 PRO HD2 H -4.902 1.195 -7.881 1.00 . A A . 14 PRO HD2 1 1 2 531 1 1 14 PRO HD3 H -4.167 -0.223 -8.658 1.00 . A A . 14 PRO HD3 1 1 2 532 1 1 14 PRO HG2 H -2.852 2.309 -7.704 1.00 . A A . 14 PRO HG2 1 1 2 533 1 1 14 PRO HG3 H -2.638 1.430 -9.232 1.00 . A A . 14 PRO HG3 1 1 2 534 1 1 14 PRO N N -3.773 -0.050 -6.588 1.00 . A A . 14 PRO N 1 1 2 535 1 1 14 PRO O O -2.652 1.352 -4.427 1.00 . A A . 14 PRO O 1 1 2 536 1 1 15 CYS C C 0.161 2.497 -3.634 1.00 . A A . 15 CYS C 1 1 2 537 1 1 15 CYS CA C -0.209 1.047 -3.348 1.00 . A A . 15 CYS CA 1 1 2 538 1 1 15 CYS CB C 0.942 0.289 -2.753 1.00 . A A . 15 CYS CB 1 1 2 539 1 1 15 CYS H H 0.021 -0.250 -4.890 1.00 . A A . 15 CYS H 1 1 2 540 1 1 15 CYS HA H -1.023 1.036 -2.639 1.00 . A A . 15 CYS HA 1 1 2 541 1 1 15 CYS HB2 H 1.496 0.001 -3.627 1.00 . A A . 15 CYS HB2 1 1 2 542 1 1 15 CYS HB3 H 1.609 0.833 -2.110 1.00 . A A . 15 CYS HB3 1 1 2 543 1 1 15 CYS N N -0.655 0.372 -4.523 1.00 . A A . 15 CYS N 1 1 2 544 1 1 15 CYS O O 0.133 2.957 -4.771 1.00 . A A . 15 CYS O 1 1 2 545 1 1 15 CYS SG S 0.480 -1.245 -1.923 1.00 . A A . 15 CYS SG 1 1 2 546 1 1 16 PHE C C 2.304 4.798 -2.944 1.00 . A A . 16 PHE C 1 1 2 547 1 1 16 PHE CA C 0.804 4.597 -2.658 1.00 . A A . 16 PHE CA 1 1 2 548 1 1 16 PHE CB C 0.369 5.265 -1.326 1.00 . A A . 16 PHE CB 1 1 2 549 1 1 16 PHE CD1 C -0.405 7.544 -2.063 1.00 . A A . 16 PHE CD1 1 1 2 550 1 1 16 PHE CD2 C 1.396 7.415 -0.505 1.00 . A A . 16 PHE CD2 1 1 2 551 1 1 16 PHE CE1 C -0.329 8.923 -2.042 1.00 . A A . 16 PHE CE1 1 1 2 552 1 1 16 PHE CE2 C 1.477 8.793 -0.480 1.00 . A A . 16 PHE CE2 1 1 2 553 1 1 16 PHE CG C 0.455 6.773 -1.295 1.00 . A A . 16 PHE CG 1 1 2 554 1 1 16 PHE CZ C 0.614 9.549 -1.249 1.00 . A A . 16 PHE CZ 1 1 2 555 1 1 16 PHE H H 0.564 2.692 -1.756 1.00 . A A . 16 PHE H 1 1 2 556 1 1 16 PHE HA H 0.234 5.025 -3.470 1.00 . A A . 16 PHE HA 1 1 2 557 1 1 16 PHE HB2 H -0.658 4.999 -1.125 1.00 . A A . 16 PHE HB2 1 1 2 558 1 1 16 PHE HB3 H 0.988 4.878 -0.531 1.00 . A A . 16 PHE HB3 1 1 2 559 1 1 16 PHE HD1 H -1.142 7.055 -2.683 1.00 . A A . 16 PHE HD1 1 1 2 560 1 1 16 PHE HD2 H 2.071 6.827 0.098 1.00 . A A . 16 PHE HD2 1 1 2 561 1 1 16 PHE HE1 H -1.004 9.512 -2.644 1.00 . A A . 16 PHE HE1 1 1 2 562 1 1 16 PHE HE2 H 2.215 9.281 0.141 1.00 . A A . 16 PHE HE2 1 1 2 563 1 1 16 PHE HZ H 0.676 10.627 -1.231 1.00 . A A . 16 PHE HZ 1 1 2 564 1 1 16 PHE N N 0.501 3.185 -2.595 1.00 . A A . 16 PHE N 1 1 2 565 1 1 16 PHE O O 3.099 3.849 -2.801 1.00 . A A . 16 PHE O 1 1 2 566 1 1 17 VAL C C 4.346 5.961 -5.124 1.00 . A A . 17 VAL C 1 1 2 567 1 1 17 VAL CA C 4.024 6.435 -3.713 1.00 . A A . 17 VAL CA 1 1 2 568 1 1 17 VAL CB C 5.140 5.985 -2.700 1.00 . A A . 17 VAL CB 1 1 2 569 1 1 17 VAL CG1 C 6.527 6.405 -3.182 1.00 . A A . 17 VAL CG1 1 1 2 570 1 1 17 VAL CG2 C 4.879 6.561 -1.313 1.00 . A A . 17 VAL CG2 1 1 2 571 1 1 17 VAL H H 1.955 6.699 -3.391 1.00 . A A . 17 VAL H 1 1 2 572 1 1 17 VAL HA H 3.999 7.516 -3.752 1.00 . A A . 17 VAL HA 1 1 2 573 1 1 17 VAL HB H 5.112 4.907 -2.634 1.00 . A A . 17 VAL HB 1 1 2 574 1 1 17 VAL HG11 H 7.271 6.081 -2.469 1.00 . A A . 17 VAL HG11 1 1 2 575 1 1 17 VAL HG12 H 6.566 7.481 -3.278 1.00 . A A . 17 VAL HG12 1 1 2 576 1 1 17 VAL HG13 H 6.726 5.953 -4.143 1.00 . A A . 17 VAL HG13 1 1 2 577 1 1 17 VAL HG21 H 4.869 7.640 -1.366 1.00 . A A . 17 VAL HG21 1 1 2 578 1 1 17 VAL HG22 H 5.658 6.241 -0.636 1.00 . A A . 17 VAL HG22 1 1 2 579 1 1 17 VAL HG23 H 3.924 6.209 -0.953 1.00 . A A . 17 VAL HG23 1 1 2 580 1 1 17 VAL N N 2.663 6.026 -3.335 1.00 . A A . 17 VAL N 1 1 2 581 1 1 17 VAL O O 4.449 4.762 -5.385 1.00 . A A . 17 VAL O 1 1 2 582 1 1 18 ARG C C 6.163 7.102 -7.716 1.00 . A A . 18 ARG C 1 1 2 583 1 1 18 ARG CA C 4.768 6.606 -7.392 1.00 . A A . 18 ARG CA 1 1 2 584 1 1 18 ARG CB C 3.666 7.222 -8.312 1.00 . A A . 18 ARG CB 1 1 2 585 1 1 18 ARG CD C 4.779 8.010 -10.477 1.00 . A A . 18 ARG CD 1 1 2 586 1 1 18 ARG CG C 3.841 6.989 -9.826 1.00 . A A . 18 ARG CG 1 1 2 587 1 1 18 ARG CZ C 4.678 10.492 -10.028 1.00 . A A . 18 ARG CZ 1 1 2 588 1 1 18 ARG H H 4.443 7.839 -5.761 1.00 . A A . 18 ARG H 1 1 2 589 1 1 18 ARG HA H 4.760 5.531 -7.499 1.00 . A A . 18 ARG HA 1 1 2 590 1 1 18 ARG HB2 H 2.711 6.807 -8.025 1.00 . A A . 18 ARG HB2 1 1 2 591 1 1 18 ARG HB3 H 3.638 8.288 -8.137 1.00 . A A . 18 ARG HB3 1 1 2 592 1 1 18 ARG HD2 H 5.683 8.072 -9.889 1.00 . A A . 18 ARG HD2 1 1 2 593 1 1 18 ARG HD3 H 5.024 7.669 -11.473 1.00 . A A . 18 ARG HD3 1 1 2 594 1 1 18 ARG HE H 3.375 9.375 -11.143 1.00 . A A . 18 ARG HE 1 1 2 595 1 1 18 ARG HG2 H 4.249 6.001 -9.978 1.00 . A A . 18 ARG HG2 1 1 2 596 1 1 18 ARG HG3 H 2.872 7.049 -10.300 1.00 . A A . 18 ARG HG3 1 1 2 597 1 1 18 ARG HH11 H 5.983 9.547 -8.744 1.00 . A A . 18 ARG HH11 1 1 2 598 1 1 18 ARG HH12 H 6.051 11.229 -8.666 1.00 . A A . 18 ARG HH12 1 1 2 599 1 1 18 ARG HH21 H 3.405 11.767 -11.015 1.00 . A A . 18 ARG HH21 1 1 2 600 1 1 18 ARG HH22 H 4.522 12.536 -9.985 1.00 . A A . 18 ARG HH22 1 1 2 601 1 1 18 ARG N N 4.487 6.896 -6.017 1.00 . A A . 18 ARG N 1 1 2 602 1 1 18 ARG NE N 4.169 9.361 -10.568 1.00 . A A . 18 ARG NE 1 1 2 603 1 1 18 ARG NH1 N 5.623 10.432 -9.094 1.00 . A A . 18 ARG NH1 1 1 2 604 1 1 18 ARG NH2 N 4.163 11.683 -10.367 1.00 . A A . 18 ARG NH2 1 1 2 605 1 1 18 ARG O O 7.071 6.287 -7.828 1.00 . A A . 18 ARG O 1 1 2 606 1 1 18 ARG OXT O 6.357 8.310 -7.807 1.00 . A A . 18 ARG OXT 1 1 3 607 1 1 1 LEU C C 11.029 1.713 -1.997 1.00 . A A . 1 LEU C 1 1 3 608 1 1 1 LEU CA C 11.240 3.220 -2.062 1.00 . A A . 1 LEU CA 1 1 3 609 1 1 1 LEU CB C 12.428 3.677 -2.969 1.00 . A A . 1 LEU CB 1 1 3 610 1 1 1 LEU CD1 C 14.465 2.614 -1.805 1.00 . A A . 1 LEU CD1 1 1 3 611 1 1 1 LEU CD2 C 14.759 4.605 -3.287 1.00 . A A . 1 LEU CD2 1 1 3 612 1 1 1 LEU CG C 13.827 3.898 -2.315 1.00 . A A . 1 LEU CG 1 1 3 613 1 1 1 LEU H1 H 10.293 3.738 -0.394 1.00 . A A . 1 LEU H1 1 1 3 614 1 1 1 LEU HA H 10.323 3.596 -2.494 1.00 . A A . 1 LEU HA 1 1 3 615 1 1 1 LEU HB2 H 12.550 2.934 -3.742 1.00 . A A . 1 LEU HB2 1 1 3 616 1 1 1 LEU HB3 H 12.136 4.601 -3.447 1.00 . A A . 1 LEU HB3 1 1 3 617 1 1 1 LEU HD11 H 14.603 1.928 -2.629 1.00 . A A . 1 LEU HD11 1 1 3 618 1 1 1 LEU HD12 H 13.819 2.161 -1.067 1.00 . A A . 1 LEU HD12 1 1 3 619 1 1 1 LEU HD13 H 15.422 2.839 -1.358 1.00 . A A . 1 LEU HD13 1 1 3 620 1 1 1 LEU HD21 H 14.343 5.565 -3.553 1.00 . A A . 1 LEU HD21 1 1 3 621 1 1 1 LEU HD22 H 14.874 4.004 -4.177 1.00 . A A . 1 LEU HD22 1 1 3 622 1 1 1 LEU HD23 H 15.723 4.747 -2.822 1.00 . A A . 1 LEU HD23 1 1 3 623 1 1 1 LEU HG H 13.699 4.547 -1.462 1.00 . A A . 1 LEU HG 1 1 3 624 1 1 1 LEU N N 11.277 3.832 -0.748 1.00 . A A . 1 LEU N 1 1 3 625 1 1 1 LEU O O 11.963 0.943 -1.960 1.00 . A A . 1 LEU O 1 1 3 626 1 1 2 VAL C C 8.845 -0.412 -3.207 1.00 . A A . 2 VAL C 1 1 3 627 1 1 2 VAL CA C 9.425 -0.082 -1.871 1.00 . A A . 2 VAL CA 1 1 3 628 1 1 2 VAL CB C 8.402 -0.419 -0.744 1.00 . A A . 2 VAL CB 1 1 3 629 1 1 2 VAL CG1 C 8.051 -1.906 -0.740 1.00 . A A . 2 VAL CG1 1 1 3 630 1 1 2 VAL CG2 C 8.936 0.005 0.619 1.00 . A A . 2 VAL CG2 1 1 3 631 1 1 2 VAL H H 9.052 1.977 -1.800 1.00 . A A . 2 VAL H 1 1 3 632 1 1 2 VAL HA H 10.312 -0.665 -1.748 1.00 . A A . 2 VAL HA 1 1 3 633 1 1 2 VAL HB H 7.498 0.137 -0.945 1.00 . A A . 2 VAL HB 1 1 3 634 1 1 2 VAL HG11 H 7.342 -2.107 0.049 1.00 . A A . 2 VAL HG11 1 1 3 635 1 1 2 VAL HG12 H 8.947 -2.486 -0.575 1.00 . A A . 2 VAL HG12 1 1 3 636 1 1 2 VAL HG13 H 7.619 -2.176 -1.693 1.00 . A A . 2 VAL HG13 1 1 3 637 1 1 2 VAL HG21 H 9.119 1.069 0.617 1.00 . A A . 2 VAL HG21 1 1 3 638 1 1 2 VAL HG22 H 9.858 -0.518 0.824 1.00 . A A . 2 VAL HG22 1 1 3 639 1 1 2 VAL HG23 H 8.209 -0.234 1.382 1.00 . A A . 2 VAL HG23 1 1 3 640 1 1 2 VAL N N 9.787 1.319 -1.882 1.00 . A A . 2 VAL N 1 1 3 641 1 1 2 VAL O O 9.275 -1.338 -3.890 1.00 . A A . 2 VAL O 1 1 3 642 1 1 3 ARG C C 6.314 -0.930 -5.067 1.00 . A A . 3 ARG C 1 1 3 643 1 1 3 ARG CA C 7.168 0.353 -4.846 1.00 . A A . 3 ARG CA 1 1 3 644 1 1 3 ARG CB C 8.136 0.640 -6.038 1.00 . A A . 3 ARG CB 1 1 3 645 1 1 3 ARG CD C 6.425 1.729 -7.661 1.00 . A A . 3 ARG CD 1 1 3 646 1 1 3 ARG CG C 7.527 0.663 -7.467 1.00 . A A . 3 ARG CG 1 1 3 647 1 1 3 ARG CZ C 4.055 2.044 -6.907 1.00 . A A . 3 ARG CZ 1 1 3 648 1 1 3 ARG H H 7.697 1.048 -2.858 1.00 . A A . 3 ARG H 1 1 3 649 1 1 3 ARG HA H 6.464 1.171 -4.794 1.00 . A A . 3 ARG HA 1 1 3 650 1 1 3 ARG HB2 H 8.598 1.601 -5.872 1.00 . A A . 3 ARG HB2 1 1 3 651 1 1 3 ARG HB3 H 8.913 -0.111 -6.017 1.00 . A A . 3 ARG HB3 1 1 3 652 1 1 3 ARG HD2 H 6.778 2.672 -7.268 1.00 . A A . 3 ARG HD2 1 1 3 653 1 1 3 ARG HD3 H 6.223 1.835 -8.717 1.00 . A A . 3 ARG HD3 1 1 3 654 1 1 3 ARG HE H 5.231 0.489 -6.505 1.00 . A A . 3 ARG HE 1 1 3 655 1 1 3 ARG HG2 H 8.316 0.861 -8.176 1.00 . A A . 3 ARG HG2 1 1 3 656 1 1 3 ARG HG3 H 7.109 -0.312 -7.671 1.00 . A A . 3 ARG HG3 1 1 3 657 1 1 3 ARG HH11 H 4.668 3.594 -8.082 1.00 . A A . 3 ARG HH11 1 1 3 658 1 1 3 ARG HH12 H 3.064 3.728 -7.517 1.00 . A A . 3 ARG HH12 1 1 3 659 1 1 3 ARG HH21 H 3.141 0.656 -5.733 1.00 . A A . 3 ARG HH21 1 1 3 660 1 1 3 ARG HH22 H 2.146 1.975 -6.100 1.00 . A A . 3 ARG HH22 1 1 3 661 1 1 3 ARG N N 7.889 0.387 -3.561 1.00 . A A . 3 ARG N 1 1 3 662 1 1 3 ARG NE N 5.188 1.361 -6.970 1.00 . A A . 3 ARG NE 1 1 3 663 1 1 3 ARG NH1 N 3.919 3.208 -7.544 1.00 . A A . 3 ARG NH1 1 1 3 664 1 1 3 ARG NH2 N 3.048 1.537 -6.207 1.00 . A A . 3 ARG NH2 1 1 3 665 1 1 3 ARG O O 5.154 -0.828 -5.500 1.00 . A A . 3 ARG O 1 1 3 666 1 1 4 GLY C C 5.029 -3.564 -4.000 1.00 . A A . 4 GLY C 1 1 3 667 1 1 4 GLY CA C 6.137 -3.330 -5.010 1.00 . A A . 4 GLY CA 1 1 3 668 1 1 4 GLY H H 7.767 -2.102 -4.409 1.00 . A A . 4 GLY H 1 1 3 669 1 1 4 GLY HA2 H 5.706 -3.307 -5.999 1.00 . A A . 4 GLY HA2 1 1 3 670 1 1 4 GLY HA3 H 6.838 -4.151 -4.955 1.00 . A A . 4 GLY HA3 1 1 3 671 1 1 4 GLY N N 6.856 -2.090 -4.785 1.00 . A A . 4 GLY N 1 1 3 672 1 1 4 GLY O O 5.197 -4.299 -3.038 1.00 . A A . 4 GLY O 1 1 3 673 1 1 5 CYS C C 1.528 -2.756 -4.212 1.00 . A A . 5 CYS C 1 1 3 674 1 1 5 CYS CA C 2.768 -3.073 -3.404 1.00 . A A . 5 CYS CA 1 1 3 675 1 1 5 CYS CB C 2.847 -2.146 -2.182 1.00 . A A . 5 CYS CB 1 1 3 676 1 1 5 CYS H H 3.849 -2.259 -4.934 1.00 . A A . 5 CYS H 1 1 3 677 1 1 5 CYS HA H 2.716 -4.095 -3.060 1.00 . A A . 5 CYS HA 1 1 3 678 1 1 5 CYS HB2 H 1.868 -2.200 -1.738 1.00 . A A . 5 CYS HB2 1 1 3 679 1 1 5 CYS HB3 H 3.603 -2.484 -1.490 1.00 . A A . 5 CYS HB3 1 1 3 680 1 1 5 CYS N N 3.913 -2.918 -4.214 1.00 . A A . 5 CYS N 1 1 3 681 1 1 5 CYS O O 1.546 -1.853 -5.072 1.00 . A A . 5 CYS O 1 1 3 682 1 1 5 CYS SG S 3.117 -0.357 -2.545 1.00 . A A . 5 CYS SG 1 1 3 683 1 1 6 TRP C C -1.859 -3.714 -3.565 1.00 . A A . 6 TRP C 1 1 3 684 1 1 6 TRP CA C -0.809 -3.214 -4.553 1.00 . A A . 6 TRP CA 1 1 3 685 1 1 6 TRP CB C -0.903 -3.826 -5.977 1.00 . A A . 6 TRP CB 1 1 3 686 1 1 6 TRP CD1 C -1.630 -6.281 -6.004 1.00 . A A . 6 TRP CD1 1 1 3 687 1 1 6 TRP CD2 C -3.213 -4.825 -6.596 1.00 . A A . 6 TRP CD2 1 1 3 688 1 1 6 TRP CE2 C -3.752 -6.115 -6.671 1.00 . A A . 6 TRP CE2 1 1 3 689 1 1 6 TRP CE3 C -4.013 -3.735 -6.919 1.00 . A A . 6 TRP CE3 1 1 3 690 1 1 6 TRP CG C -1.866 -4.948 -6.168 1.00 . A A . 6 TRP CG 1 1 3 691 1 1 6 TRP CH2 C -5.823 -5.254 -7.373 1.00 . A A . 6 TRP CH2 1 1 3 692 1 1 6 TRP CZ2 C -5.062 -6.346 -7.062 1.00 . A A . 6 TRP CZ2 1 1 3 693 1 1 6 TRP CZ3 C -5.304 -3.951 -7.302 1.00 . A A . 6 TRP CZ3 1 1 3 694 1 1 6 TRP H H 0.515 -4.266 -3.371 1.00 . A A . 6 TRP H 1 1 3 695 1 1 6 TRP HA H -0.905 -2.140 -4.596 1.00 . A A . 6 TRP HA 1 1 3 696 1 1 6 TRP HB2 H -1.182 -3.046 -6.672 1.00 . A A . 6 TRP HB2 1 1 3 697 1 1 6 TRP HB3 H 0.080 -4.178 -6.251 1.00 . A A . 6 TRP HB3 1 1 3 698 1 1 6 TRP HD1 H -0.684 -6.693 -5.682 1.00 . A A . 6 TRP HD1 1 1 3 699 1 1 6 TRP HE1 H -2.851 -7.968 -6.263 1.00 . A A . 6 TRP HE1 1 1 3 700 1 1 6 TRP HE3 H -3.631 -2.727 -6.869 1.00 . A A . 6 TRP HE3 1 1 3 701 1 1 6 TRP HH2 H -6.847 -5.385 -7.684 1.00 . A A . 6 TRP HH2 1 1 3 702 1 1 6 TRP HZ2 H -5.477 -7.341 -7.121 1.00 . A A . 6 TRP HZ2 1 1 3 703 1 1 6 TRP HZ3 H -5.918 -3.090 -7.538 1.00 . A A . 6 TRP HZ3 1 1 3 704 1 1 6 TRP N N 0.470 -3.486 -3.968 1.00 . A A . 6 TRP N 1 1 3 705 1 1 6 TRP NE1 N -2.765 -6.992 -6.304 1.00 . A A . 6 TRP NE1 1 1 3 706 1 1 6 TRP O O -1.630 -4.723 -2.907 1.00 . A A . 6 TRP O 1 1 3 707 1 1 7 THR C C -5.031 -4.159 -2.958 1.00 . A A . 7 THR C 1 1 3 708 1 1 7 THR CA C -3.897 -3.353 -2.369 1.00 . A A . 7 THR CA 1 1 3 709 1 1 7 THR CB C -4.472 -2.110 -1.587 1.00 . A A . 7 THR CB 1 1 3 710 1 1 7 THR CG2 C -3.359 -1.138 -1.285 1.00 . A A . 7 THR CG2 1 1 3 711 1 1 7 THR H H -3.159 -2.214 -3.956 1.00 . A A . 7 THR H 1 1 3 712 1 1 7 THR HA H -3.375 -3.980 -1.661 1.00 . A A . 7 THR HA 1 1 3 713 1 1 7 THR HB H -4.908 -2.433 -0.654 1.00 . A A . 7 THR HB 1 1 3 714 1 1 7 THR HG1 H -5.101 -1.314 -3.265 1.00 . A A . 7 THR HG1 1 1 3 715 1 1 7 THR HG21 H -2.972 -0.801 -2.236 1.00 . A A . 7 THR HG21 1 1 3 716 1 1 7 THR HG22 H -2.583 -1.634 -0.724 1.00 . A A . 7 THR HG22 1 1 3 717 1 1 7 THR HG23 H -3.756 -0.295 -0.742 1.00 . A A . 7 THR HG23 1 1 3 718 1 1 7 THR N N -2.941 -2.983 -3.386 1.00 . A A . 7 THR N 1 1 3 719 1 1 7 THR O O -5.691 -3.724 -3.926 1.00 . A A . 7 THR O 1 1 3 720 1 1 7 THR OG1 O -5.446 -1.401 -2.367 1.00 . A A . 7 THR OG1 1 1 3 721 1 1 8 LYS C C -7.471 -5.682 -1.823 1.00 . A A . 8 LYS C 1 1 3 722 1 1 8 LYS CA C -6.402 -6.056 -2.834 1.00 . A A . 8 LYS CA 1 1 3 723 1 1 8 LYS CB C -6.118 -7.591 -2.876 1.00 . A A . 8 LYS CB 1 1 3 724 1 1 8 LYS CD C -8.516 -8.566 -2.717 1.00 . A A . 8 LYS CD 1 1 3 725 1 1 8 LYS CE C -8.307 -9.287 -1.388 1.00 . A A . 8 LYS CE 1 1 3 726 1 1 8 LYS CG C -7.218 -8.478 -3.532 1.00 . A A . 8 LYS CG 1 1 3 727 1 1 8 LYS H H -4.627 -5.673 -1.759 1.00 . A A . 8 LYS H 1 1 3 728 1 1 8 LYS HA H -6.699 -5.696 -3.809 1.00 . A A . 8 LYS HA 1 1 3 729 1 1 8 LYS HB2 H -5.205 -7.743 -3.431 1.00 . A A . 8 LYS HB2 1 1 3 730 1 1 8 LYS HB3 H -5.957 -7.934 -1.865 1.00 . A A . 8 LYS HB3 1 1 3 731 1 1 8 LYS HD2 H -8.869 -7.565 -2.514 1.00 . A A . 8 LYS HD2 1 1 3 732 1 1 8 LYS HD3 H -9.258 -9.098 -3.295 1.00 . A A . 8 LYS HD3 1 1 3 733 1 1 8 LYS HE2 H -8.095 -10.328 -1.584 1.00 . A A . 8 LYS HE2 1 1 3 734 1 1 8 LYS HE3 H -7.468 -8.845 -0.872 1.00 . A A . 8 LYS HE3 1 1 3 735 1 1 8 LYS HG2 H -7.457 -8.068 -4.502 1.00 . A A . 8 LYS HG2 1 1 3 736 1 1 8 LYS HG3 H -6.817 -9.474 -3.664 1.00 . A A . 8 LYS HG3 1 1 3 737 1 1 8 LYS HZ1 H -9.651 -8.205 -0.262 1.00 . A A . 8 LYS HZ1 1 1 3 738 1 1 8 LYS HZ2 H -9.351 -9.738 0.359 1.00 . A A . 8 LYS HZ2 1 1 3 739 1 1 8 LYS HZ3 H -10.366 -9.550 -0.988 1.00 . A A . 8 LYS HZ3 1 1 3 740 1 1 8 LYS N N -5.248 -5.330 -2.434 1.00 . A A . 8 LYS N 1 1 3 741 1 1 8 LYS NZ N -9.500 -9.200 -0.518 1.00 . A A . 8 LYS NZ 1 1 3 742 1 1 8 LYS O O -7.516 -6.208 -0.701 1.00 . A A . 8 LYS O 1 1 3 743 1 1 9 SER C C -10.620 -4.303 -2.223 1.00 . A A . 9 SER C 1 1 3 744 1 1 9 SER CA C -9.345 -4.252 -1.422 1.00 . A A . 9 SER CA 1 1 3 745 1 1 9 SER CB C -8.954 -2.795 -1.120 1.00 . A A . 9 SER CB 1 1 3 746 1 1 9 SER H H -8.291 -4.531 -3.176 1.00 . A A . 9 SER H 1 1 3 747 1 1 9 SER HA H -9.438 -4.807 -0.501 1.00 . A A . 9 SER HA 1 1 3 748 1 1 9 SER HB2 H -9.002 -2.216 -2.031 1.00 . A A . 9 SER HB2 1 1 3 749 1 1 9 SER HB3 H -9.639 -2.381 -0.394 1.00 . A A . 9 SER HB3 1 1 3 750 1 1 9 SER HG H -7.125 -2.094 -1.127 1.00 . A A . 9 SER HG 1 1 3 751 1 1 9 SER N N -8.325 -4.824 -2.244 1.00 . A A . 9 SER N 1 1 3 752 1 1 9 SER O O -10.673 -5.031 -3.218 1.00 . A A . 9 SER O 1 1 3 753 1 1 9 SER OG O -7.631 -2.724 -0.599 1.00 . A A . 9 SER OG 1 1 3 754 1 1 10 TYR C C -13.273 -2.039 -2.477 1.00 . A A . 10 TYR C 1 1 3 755 1 1 10 TYR CA C -12.845 -3.510 -2.520 1.00 . A A . 10 TYR CA 1 1 3 756 1 1 10 TYR CB C -13.902 -4.370 -1.850 1.00 . A A . 10 TYR CB 1 1 3 757 1 1 10 TYR CD1 C -13.333 -6.696 -2.688 1.00 . A A . 10 TYR CD1 1 1 3 758 1 1 10 TYR CD2 C -13.212 -6.270 -0.344 1.00 . A A . 10 TYR CD2 1 1 3 759 1 1 10 TYR CE1 C -12.906 -7.993 -2.473 1.00 . A A . 10 TYR CE1 1 1 3 760 1 1 10 TYR CE2 C -12.799 -7.561 -0.123 1.00 . A A . 10 TYR CE2 1 1 3 761 1 1 10 TYR CG C -13.488 -5.812 -1.625 1.00 . A A . 10 TYR CG 1 1 3 762 1 1 10 TYR CZ C -12.641 -8.417 -1.187 1.00 . A A . 10 TYR CZ 1 1 3 763 1 1 10 TYR H H -11.713 -3.125 -0.951 1.00 . A A . 10 TYR H 1 1 3 764 1 1 10 TYR HA H -12.679 -3.844 -3.538 1.00 . A A . 10 TYR HA 1 1 3 765 1 1 10 TYR HB2 H -14.146 -3.931 -0.894 1.00 . A A . 10 TYR HB2 1 1 3 766 1 1 10 TYR HB3 H -14.758 -4.330 -2.487 1.00 . A A . 10 TYR HB3 1 1 3 767 1 1 10 TYR HD1 H -13.543 -6.356 -3.691 1.00 . A A . 10 TYR HD1 1 1 3 768 1 1 10 TYR HD2 H -13.337 -5.598 0.491 1.00 . A A . 10 TYR HD2 1 1 3 769 1 1 10 TYR HE1 H -12.790 -8.670 -3.307 1.00 . A A . 10 TYR HE1 1 1 3 770 1 1 10 TYR HE2 H -12.590 -7.897 0.881 1.00 . A A . 10 TYR HE2 1 1 3 771 1 1 10 TYR HH H -12.849 -10.138 -0.394 1.00 . A A . 10 TYR HH 1 1 3 772 1 1 10 TYR N N -11.649 -3.608 -1.795 1.00 . A A . 10 TYR N 1 1 3 773 1 1 10 TYR O O -13.710 -1.565 -1.436 1.00 . A A . 10 TYR O 1 1 3 774 1 1 10 TYR OH O -12.196 -9.708 -0.961 1.00 . A A . 10 TYR OH 1 1 3 775 1 1 11 PRO C C -10.940 -1.912 -4.686 1.00 . A A . 11 PRO C 1 1 3 776 1 1 11 PRO CA C -12.470 -1.780 -4.781 1.00 . A A . 11 PRO CA 1 1 3 777 1 1 11 PRO CB C -12.839 -0.744 -5.842 1.00 . A A . 11 PRO CB 1 1 3 778 1 1 11 PRO CD C -13.459 0.116 -3.698 1.00 . A A . 11 PRO CD 1 1 3 779 1 1 11 PRO CG C -13.759 0.223 -5.164 1.00 . A A . 11 PRO CG 1 1 3 780 1 1 11 PRO HA H -12.919 -2.723 -5.051 1.00 . A A . 11 PRO HA 1 1 3 781 1 1 11 PRO HB2 H -11.934 -0.284 -6.211 1.00 . A A . 11 PRO HB2 1 1 3 782 1 1 11 PRO HB3 H -13.352 -1.283 -6.623 1.00 . A A . 11 PRO HB3 1 1 3 783 1 1 11 PRO HD2 H -12.639 0.766 -3.428 1.00 . A A . 11 PRO HD2 1 1 3 784 1 1 11 PRO HD3 H -14.334 0.338 -3.108 1.00 . A A . 11 PRO HD3 1 1 3 785 1 1 11 PRO HG2 H -13.567 1.223 -5.525 1.00 . A A . 11 PRO HG2 1 1 3 786 1 1 11 PRO HG3 H -14.787 -0.054 -5.342 1.00 . A A . 11 PRO HG3 1 1 3 787 1 1 11 PRO N N -13.081 -1.285 -3.565 1.00 . A A . 11 PRO N 1 1 3 788 1 1 11 PRO O O -10.285 -1.188 -3.933 1.00 . A A . 11 PRO O 1 1 3 789 1 1 12 PRO C C -8.190 -1.915 -6.024 1.00 . A A . 12 PRO C 1 1 3 790 1 1 12 PRO CA C -8.937 -3.135 -5.470 1.00 . A A . 12 PRO CA 1 1 3 791 1 1 12 PRO CB C -8.822 -4.313 -6.441 1.00 . A A . 12 PRO CB 1 1 3 792 1 1 12 PRO CD C -11.153 -3.864 -6.187 1.00 . A A . 12 PRO CD 1 1 3 793 1 1 12 PRO CG C -10.167 -4.948 -6.479 1.00 . A A . 12 PRO CG 1 1 3 794 1 1 12 PRO HA H -8.529 -3.400 -4.508 1.00 . A A . 12 PRO HA 1 1 3 795 1 1 12 PRO HB2 H -8.532 -3.948 -7.416 1.00 . A A . 12 PRO HB2 1 1 3 796 1 1 12 PRO HB3 H -8.101 -5.025 -6.070 1.00 . A A . 12 PRO HB3 1 1 3 797 1 1 12 PRO HD2 H -11.562 -3.401 -7.067 1.00 . A A . 12 PRO HD2 1 1 3 798 1 1 12 PRO HD3 H -11.987 -4.226 -5.606 1.00 . A A . 12 PRO HD3 1 1 3 799 1 1 12 PRO HG2 H -10.342 -5.372 -7.457 1.00 . A A . 12 PRO HG2 1 1 3 800 1 1 12 PRO HG3 H -10.236 -5.711 -5.719 1.00 . A A . 12 PRO HG3 1 1 3 801 1 1 12 PRO N N -10.389 -2.894 -5.402 1.00 . A A . 12 PRO N 1 1 3 802 1 1 12 PRO O O -8.650 -1.284 -6.982 1.00 . A A . 12 PRO O 1 1 3 803 1 1 13 LYS C C -4.836 -0.545 -5.740 1.00 . A A . 13 LYS C 1 1 3 804 1 1 13 LYS CA C -6.355 -0.387 -5.844 1.00 . A A . 13 LYS CA 1 1 3 805 1 1 13 LYS CB C -6.847 0.745 -4.924 1.00 . A A . 13 LYS CB 1 1 3 806 1 1 13 LYS CD C -6.210 2.620 -6.490 1.00 . A A . 13 LYS CD 1 1 3 807 1 1 13 LYS CE C -5.588 4.006 -6.598 1.00 . A A . 13 LYS CE 1 1 3 808 1 1 13 LYS CG C -6.153 2.097 -5.068 1.00 . A A . 13 LYS CG 1 1 3 809 1 1 13 LYS H H -6.616 -2.141 -4.749 1.00 . A A . 13 LYS H 1 1 3 810 1 1 13 LYS HA H -6.653 -0.147 -6.852 1.00 . A A . 13 LYS HA 1 1 3 811 1 1 13 LYS HB2 H -7.905 0.889 -5.088 1.00 . A A . 13 LYS HB2 1 1 3 812 1 1 13 LYS HB3 H -6.697 0.378 -3.922 1.00 . A A . 13 LYS HB3 1 1 3 813 1 1 13 LYS HD2 H -5.651 1.929 -7.104 1.00 . A A . 13 LYS HD2 1 1 3 814 1 1 13 LYS HD3 H -7.238 2.655 -6.818 1.00 . A A . 13 LYS HD3 1 1 3 815 1 1 13 LYS HE2 H -5.558 4.295 -7.637 1.00 . A A . 13 LYS HE2 1 1 3 816 1 1 13 LYS HE3 H -6.203 4.706 -6.051 1.00 . A A . 13 LYS HE3 1 1 3 817 1 1 13 LYS HG2 H -6.635 2.812 -4.417 1.00 . A A . 13 LYS HG2 1 1 3 818 1 1 13 LYS HG3 H -5.119 1.987 -4.774 1.00 . A A . 13 LYS HG3 1 1 3 819 1 1 13 LYS HZ1 H -3.767 4.972 -6.222 1.00 . A A . 13 LYS HZ1 1 1 3 820 1 1 13 LYS HZ2 H -3.606 3.305 -6.471 1.00 . A A . 13 LYS HZ2 1 1 3 821 1 1 13 LYS HZ3 H -4.226 3.866 -5.026 1.00 . A A . 13 LYS HZ3 1 1 3 822 1 1 13 LYS N N -7.036 -1.587 -5.450 1.00 . A A . 13 LYS N 1 1 3 823 1 1 13 LYS NZ N -4.206 4.045 -6.050 1.00 . A A . 13 LYS NZ 1 1 3 824 1 1 13 LYS O O -4.330 -0.932 -4.692 1.00 . A A . 13 LYS O 1 1 3 825 1 1 14 PRO C C -2.133 0.705 -5.694 1.00 . A A . 14 PRO C 1 1 3 826 1 1 14 PRO CA C -2.620 -0.283 -6.767 1.00 . A A . 14 PRO CA 1 1 3 827 1 1 14 PRO CB C -2.181 0.158 -8.174 1.00 . A A . 14 PRO CB 1 1 3 828 1 1 14 PRO CD C -4.552 -0.137 -8.221 1.00 . A A . 14 PRO CD 1 1 3 829 1 1 14 PRO CG C -3.430 0.634 -8.847 1.00 . A A . 14 PRO CG 1 1 3 830 1 1 14 PRO HA H -2.229 -1.261 -6.535 1.00 . A A . 14 PRO HA 1 1 3 831 1 1 14 PRO HB2 H -1.435 0.934 -8.086 1.00 . A A . 14 PRO HB2 1 1 3 832 1 1 14 PRO HB3 H -1.779 -0.684 -8.716 1.00 . A A . 14 PRO HB3 1 1 3 833 1 1 14 PRO HD2 H -5.475 0.417 -8.295 1.00 . A A . 14 PRO HD2 1 1 3 834 1 1 14 PRO HD3 H -4.659 -1.095 -8.708 1.00 . A A . 14 PRO HD3 1 1 3 835 1 1 14 PRO HG2 H -3.552 1.694 -8.677 1.00 . A A . 14 PRO HG2 1 1 3 836 1 1 14 PRO HG3 H -3.390 0.421 -9.905 1.00 . A A . 14 PRO HG3 1 1 3 837 1 1 14 PRO N N -4.077 -0.305 -6.833 1.00 . A A . 14 PRO N 1 1 3 838 1 1 14 PRO O O -2.658 1.839 -5.574 1.00 . A A . 14 PRO O 1 1 3 839 1 1 15 CYS C C 0.198 2.156 -4.268 1.00 . A A . 15 CYS C 1 1 3 840 1 1 15 CYS CA C -0.627 0.971 -3.821 1.00 . A A . 15 CYS CA 1 1 3 841 1 1 15 CYS CB C 0.170 -0.047 -2.993 1.00 . A A . 15 CYS CB 1 1 3 842 1 1 15 CYS H H -0.679 -0.551 -5.142 1.00 . A A . 15 CYS H 1 1 3 843 1 1 15 CYS HA H -1.450 1.321 -3.217 1.00 . A A . 15 CYS HA 1 1 3 844 1 1 15 CYS HB2 H -0.520 -0.622 -2.395 1.00 . A A . 15 CYS HB2 1 1 3 845 1 1 15 CYS HB3 H 0.653 -0.721 -3.684 1.00 . A A . 15 CYS HB3 1 1 3 846 1 1 15 CYS N N -1.157 0.275 -4.939 1.00 . A A . 15 CYS N 1 1 3 847 1 1 15 CYS O O 0.598 2.262 -5.440 1.00 . A A . 15 CYS O 1 1 3 848 1 1 15 CYS SG S 1.433 0.566 -1.857 1.00 . A A . 15 CYS SG 1 1 3 849 1 1 16 PHE C C 1.847 4.782 -2.394 1.00 . A A . 16 PHE C 1 1 3 850 1 1 16 PHE CA C 1.116 4.273 -3.632 1.00 . A A . 16 PHE CA 1 1 3 851 1 1 16 PHE CB C 0.153 5.358 -4.187 1.00 . A A . 16 PHE CB 1 1 3 852 1 1 16 PHE CD1 C -2.215 4.928 -3.420 1.00 . A A . 16 PHE CD1 1 1 3 853 1 1 16 PHE CD2 C -0.999 6.694 -2.374 1.00 . A A . 16 PHE CD2 1 1 3 854 1 1 16 PHE CE1 C -3.309 5.207 -2.625 1.00 . A A . 16 PHE CE1 1 1 3 855 1 1 16 PHE CE2 C -2.092 6.976 -1.576 1.00 . A A . 16 PHE CE2 1 1 3 856 1 1 16 PHE CG C -1.045 5.667 -3.305 1.00 . A A . 16 PHE CG 1 1 3 857 1 1 16 PHE CZ C -3.248 6.231 -1.702 1.00 . A A . 16 PHE CZ 1 1 3 858 1 1 16 PHE H H 0.074 2.813 -2.473 1.00 . A A . 16 PHE H 1 1 3 859 1 1 16 PHE HA H 1.851 4.058 -4.393 1.00 . A A . 16 PHE HA 1 1 3 860 1 1 16 PHE HB2 H 0.703 6.277 -4.318 1.00 . A A . 16 PHE HB2 1 1 3 861 1 1 16 PHE HB3 H -0.216 5.033 -5.149 1.00 . A A . 16 PHE HB3 1 1 3 862 1 1 16 PHE HD1 H -2.265 4.125 -4.140 1.00 . A A . 16 PHE HD1 1 1 3 863 1 1 16 PHE HD2 H -0.098 7.279 -2.271 1.00 . A A . 16 PHE HD2 1 1 3 864 1 1 16 PHE HE1 H -4.213 4.623 -2.727 1.00 . A A . 16 PHE HE1 1 1 3 865 1 1 16 PHE HE2 H -2.041 7.778 -0.855 1.00 . A A . 16 PHE HE2 1 1 3 866 1 1 16 PHE HZ H -4.103 6.450 -1.079 1.00 . A A . 16 PHE HZ 1 1 3 867 1 1 16 PHE N N 0.404 3.041 -3.368 1.00 . A A . 16 PHE N 1 1 3 868 1 1 16 PHE O O 1.424 4.515 -1.262 1.00 . A A . 16 PHE O 1 1 3 869 1 1 17 VAL C C 4.371 5.239 -0.586 1.00 . A A . 17 VAL C 1 1 3 870 1 1 17 VAL CA C 3.778 6.179 -1.643 1.00 . A A . 17 VAL CA 1 1 3 871 1 1 17 VAL CB C 3.033 7.382 -0.969 1.00 . A A . 17 VAL CB 1 1 3 872 1 1 17 VAL CG1 C 3.937 8.104 0.033 1.00 . A A . 17 VAL CG1 1 1 3 873 1 1 17 VAL CG2 C 2.542 8.365 -2.027 1.00 . A A . 17 VAL CG2 1 1 3 874 1 1 17 VAL H H 3.238 5.562 -3.581 1.00 . A A . 17 VAL H 1 1 3 875 1 1 17 VAL HA H 4.617 6.582 -2.192 1.00 . A A . 17 VAL HA 1 1 3 876 1 1 17 VAL HB H 2.177 6.996 -0.437 1.00 . A A . 17 VAL HB 1 1 3 877 1 1 17 VAL HG11 H 4.809 8.484 -0.478 1.00 . A A . 17 VAL HG11 1 1 3 878 1 1 17 VAL HG12 H 4.246 7.412 0.802 1.00 . A A . 17 VAL HG12 1 1 3 879 1 1 17 VAL HG13 H 3.396 8.924 0.481 1.00 . A A . 17 VAL HG13 1 1 3 880 1 1 17 VAL HG21 H 2.002 9.169 -1.548 1.00 . A A . 17 VAL HG21 1 1 3 881 1 1 17 VAL HG22 H 1.888 7.855 -2.718 1.00 . A A . 17 VAL HG22 1 1 3 882 1 1 17 VAL HG23 H 3.387 8.770 -2.563 1.00 . A A . 17 VAL HG23 1 1 3 883 1 1 17 VAL N N 2.949 5.494 -2.650 1.00 . A A . 17 VAL N 1 1 3 884 1 1 17 VAL O O 3.718 4.936 0.427 1.00 . A A . 17 VAL O 1 1 3 885 1 1 18 ARG C C 7.617 3.396 -0.759 1.00 . A A . 18 ARG C 1 1 3 886 1 1 18 ARG CA C 6.410 3.908 -0.003 1.00 . A A . 18 ARG CA 1 1 3 887 1 1 18 ARG CB C 5.653 2.775 0.719 1.00 . A A . 18 ARG CB 1 1 3 888 1 1 18 ARG CD C 3.752 1.229 0.560 1.00 . A A . 18 ARG CD 1 1 3 889 1 1 18 ARG CG C 4.959 1.766 -0.164 1.00 . A A . 18 ARG CG 1 1 3 890 1 1 18 ARG CZ C 1.609 2.227 1.385 1.00 . A A . 18 ARG CZ 1 1 3 891 1 1 18 ARG H H 5.958 4.867 -1.783 1.00 . A A . 18 ARG H 1 1 3 892 1 1 18 ARG HA H 6.796 4.606 0.726 1.00 . A A . 18 ARG HA 1 1 3 893 1 1 18 ARG HB2 H 6.356 2.236 1.338 1.00 . A A . 18 ARG HB2 1 1 3 894 1 1 18 ARG HB3 H 4.912 3.226 1.365 1.00 . A A . 18 ARG HB3 1 1 3 895 1 1 18 ARG HD2 H 3.281 0.472 -0.050 1.00 . A A . 18 ARG HD2 1 1 3 896 1 1 18 ARG HD3 H 4.058 0.807 1.505 1.00 . A A . 18 ARG HD3 1 1 3 897 1 1 18 ARG HE H 3.115 3.202 0.479 1.00 . A A . 18 ARG HE 1 1 3 898 1 1 18 ARG HG2 H 4.646 2.249 -1.079 1.00 . A A . 18 ARG HG2 1 1 3 899 1 1 18 ARG HG3 H 5.631 0.951 -0.385 1.00 . A A . 18 ARG HG3 1 1 3 900 1 1 18 ARG HH11 H 1.796 0.260 1.861 1.00 . A A . 18 ARG HH11 1 1 3 901 1 1 18 ARG HH12 H 0.313 0.954 2.355 1.00 . A A . 18 ARG HH12 1 1 3 902 1 1 18 ARG HH21 H 1.165 4.165 1.047 1.00 . A A . 18 ARG HH21 1 1 3 903 1 1 18 ARG HH22 H -0.076 3.329 1.868 1.00 . A A . 18 ARG HH22 1 1 3 904 1 1 18 ARG N N 5.575 4.722 -0.894 1.00 . A A . 18 ARG N 1 1 3 905 1 1 18 ARG NE N 2.798 2.324 0.812 1.00 . A A . 18 ARG NE 1 1 3 906 1 1 18 ARG NH1 N 1.200 1.064 1.905 1.00 . A A . 18 ARG NH1 1 1 3 907 1 1 18 ARG NH2 N 0.830 3.305 1.447 1.00 . A A . 18 ARG NH2 1 1 3 908 1 1 18 ARG O O 8.738 3.783 -0.415 1.00 . A A . 18 ARG O 1 1 3 909 1 1 18 ARG OXT O 7.457 2.670 -1.766 1.00 . A A . 18 ARG OXT 1 1 4 910 1 1 1 LEU C C 10.514 2.593 -9.092 1.00 . A A . 1 LEU C 1 1 4 911 1 1 1 LEU CA C 11.574 3.638 -8.842 1.00 . A A . 1 LEU CA 1 1 4 912 1 1 1 LEU CB C 11.808 3.824 -7.327 1.00 . A A . 1 LEU CB 1 1 4 913 1 1 1 LEU CD1 C 13.792 2.281 -7.069 1.00 . A A . 1 LEU CD1 1 1 4 914 1 1 1 LEU CD2 C 12.428 2.914 -5.067 1.00 . A A . 1 LEU CD2 1 1 4 915 1 1 1 LEU CG C 12.398 2.628 -6.560 1.00 . A A . 1 LEU CG 1 1 4 916 1 1 1 LEU H1 H 11.760 5.673 -9.304 1.00 . A A . 1 LEU H1 1 1 4 917 1 1 1 LEU HA H 12.492 3.351 -9.335 1.00 . A A . 1 LEU HA 1 1 4 918 1 1 1 LEU HB2 H 12.474 4.664 -7.194 1.00 . A A . 1 LEU HB2 1 1 4 919 1 1 1 LEU HB3 H 10.859 4.075 -6.877 1.00 . A A . 1 LEU HB3 1 1 4 920 1 1 1 LEU HD11 H 13.740 2.013 -8.114 1.00 . A A . 1 LEU HD11 1 1 4 921 1 1 1 LEU HD12 H 14.185 1.449 -6.503 1.00 . A A . 1 LEU HD12 1 1 4 922 1 1 1 LEU HD13 H 14.441 3.136 -6.949 1.00 . A A . 1 LEU HD13 1 1 4 923 1 1 1 LEU HD21 H 11.423 3.090 -4.712 1.00 . A A . 1 LEU HD21 1 1 4 924 1 1 1 LEU HD22 H 13.034 3.788 -4.879 1.00 . A A . 1 LEU HD22 1 1 4 925 1 1 1 LEU HD23 H 12.848 2.065 -4.547 1.00 . A A . 1 LEU HD23 1 1 4 926 1 1 1 LEU HG H 11.768 1.766 -6.727 1.00 . A A . 1 LEU HG 1 1 4 927 1 1 1 LEU N N 11.088 4.891 -9.426 1.00 . A A . 1 LEU N 1 1 4 928 1 1 1 LEU O O 9.371 2.958 -9.337 1.00 . A A . 1 LEU O 1 1 4 929 1 1 2 VAL C C 9.407 -0.176 -7.925 1.00 . A A . 2 VAL C 1 1 4 930 1 1 2 VAL CA C 9.948 0.252 -9.284 1.00 . A A . 2 VAL CA 1 1 4 931 1 1 2 VAL CB C 10.645 -0.960 -9.984 1.00 . A A . 2 VAL CB 1 1 4 932 1 1 2 VAL CG1 C 9.657 -2.082 -10.294 1.00 . A A . 2 VAL CG1 1 1 4 933 1 1 2 VAL CG2 C 11.355 -0.513 -11.259 1.00 . A A . 2 VAL CG2 1 1 4 934 1 1 2 VAL H H 11.807 1.078 -8.855 1.00 . A A . 2 VAL H 1 1 4 935 1 1 2 VAL HA H 9.137 0.613 -9.901 1.00 . A A . 2 VAL HA 1 1 4 936 1 1 2 VAL HB H 11.389 -1.351 -9.305 1.00 . A A . 2 VAL HB 1 1 4 937 1 1 2 VAL HG11 H 8.886 -1.710 -10.953 1.00 . A A . 2 VAL HG11 1 1 4 938 1 1 2 VAL HG12 H 9.206 -2.427 -9.375 1.00 . A A . 2 VAL HG12 1 1 4 939 1 1 2 VAL HG13 H 10.177 -2.899 -10.770 1.00 . A A . 2 VAL HG13 1 1 4 940 1 1 2 VAL HG21 H 12.099 0.231 -11.014 1.00 . A A . 2 VAL HG21 1 1 4 941 1 1 2 VAL HG22 H 10.634 -0.089 -11.941 1.00 . A A . 2 VAL HG22 1 1 4 942 1 1 2 VAL HG23 H 11.833 -1.362 -11.724 1.00 . A A . 2 VAL HG23 1 1 4 943 1 1 2 VAL N N 10.886 1.335 -9.067 1.00 . A A . 2 VAL N 1 1 4 944 1 1 2 VAL O O 10.132 -0.124 -6.937 1.00 . A A . 2 VAL O 1 1 4 945 1 1 3 ARG C C 6.478 -2.009 -6.967 1.00 . A A . 3 ARG C 1 1 4 946 1 1 3 ARG CA C 7.525 -0.965 -6.641 1.00 . A A . 3 ARG CA 1 1 4 947 1 1 3 ARG CB C 6.890 0.227 -5.889 1.00 . A A . 3 ARG CB 1 1 4 948 1 1 3 ARG CD C 5.209 2.101 -5.852 1.00 . A A . 3 ARG CD 1 1 4 949 1 1 3 ARG CG C 5.811 0.973 -6.672 1.00 . A A . 3 ARG CG 1 1 4 950 1 1 3 ARG CZ C 3.067 3.386 -5.994 1.00 . A A . 3 ARG CZ 1 1 4 951 1 1 3 ARG H H 7.590 -0.559 -8.675 1.00 . A A . 3 ARG H 1 1 4 952 1 1 3 ARG HA H 8.288 -1.414 -6.021 1.00 . A A . 3 ARG HA 1 1 4 953 1 1 3 ARG HB2 H 6.444 -0.138 -4.976 1.00 . A A . 3 ARG HB2 1 1 4 954 1 1 3 ARG HB3 H 7.671 0.929 -5.636 1.00 . A A . 3 ARG HB3 1 1 4 955 1 1 3 ARG HD2 H 4.807 1.687 -4.939 1.00 . A A . 3 ARG HD2 1 1 4 956 1 1 3 ARG HD3 H 5.985 2.812 -5.613 1.00 . A A . 3 ARG HD3 1 1 4 957 1 1 3 ARG HE H 4.227 2.777 -7.556 1.00 . A A . 3 ARG HE 1 1 4 958 1 1 3 ARG HG2 H 6.251 1.388 -7.567 1.00 . A A . 3 ARG HG2 1 1 4 959 1 1 3 ARG HG3 H 5.032 0.277 -6.943 1.00 . A A . 3 ARG HG3 1 1 4 960 1 1 3 ARG HH11 H 3.695 3.061 -4.078 1.00 . A A . 3 ARG HH11 1 1 4 961 1 1 3 ARG HH12 H 2.171 3.817 -4.210 1.00 . A A . 3 ARG HH12 1 1 4 962 1 1 3 ARG HH21 H 2.133 3.934 -7.741 1.00 . A A . 3 ARG HH21 1 1 4 963 1 1 3 ARG HH22 H 1.300 4.358 -6.314 1.00 . A A . 3 ARG HH22 1 1 4 964 1 1 3 ARG N N 8.148 -0.535 -7.869 1.00 . A A . 3 ARG N 1 1 4 965 1 1 3 ARG NE N 4.129 2.797 -6.579 1.00 . A A . 3 ARG NE 1 1 4 966 1 1 3 ARG NH1 N 2.980 3.440 -4.669 1.00 . A A . 3 ARG NH1 1 1 4 967 1 1 3 ARG NH2 N 2.103 3.935 -6.740 1.00 . A A . 3 ARG NH2 1 1 4 968 1 1 3 ARG O O 5.845 -1.937 -8.020 1.00 . A A . 3 ARG O 1 1 4 969 1 1 4 GLY C C 4.409 -4.129 -5.161 1.00 . A A . 4 GLY C 1 1 4 970 1 1 4 GLY CA C 5.352 -4.014 -6.323 1.00 . A A . 4 GLY CA 1 1 4 971 1 1 4 GLY H H 6.862 -3.001 -5.284 1.00 . A A . 4 GLY H 1 1 4 972 1 1 4 GLY HA2 H 4.790 -3.786 -7.218 1.00 . A A . 4 GLY HA2 1 1 4 973 1 1 4 GLY HA3 H 5.863 -4.956 -6.454 1.00 . A A . 4 GLY HA3 1 1 4 974 1 1 4 GLY N N 6.321 -2.976 -6.101 1.00 . A A . 4 GLY N 1 1 4 975 1 1 4 GLY O O 4.588 -4.967 -4.290 1.00 . A A . 4 GLY O 1 1 4 976 1 1 5 CYS C C 1.118 -2.798 -4.609 1.00 . A A . 5 CYS C 1 1 4 977 1 1 5 CYS CA C 2.464 -3.252 -4.081 1.00 . A A . 5 CYS CA 1 1 4 978 1 1 5 CYS CB C 2.961 -2.396 -2.906 1.00 . A A . 5 CYS CB 1 1 4 979 1 1 5 CYS H H 3.331 -2.573 -5.810 1.00 . A A . 5 CYS H 1 1 4 980 1 1 5 CYS HA H 2.326 -4.268 -3.738 1.00 . A A . 5 CYS HA 1 1 4 981 1 1 5 CYS HB2 H 2.101 -2.144 -2.310 1.00 . A A . 5 CYS HB2 1 1 4 982 1 1 5 CYS HB3 H 3.648 -2.978 -2.309 1.00 . A A . 5 CYS HB3 1 1 4 983 1 1 5 CYS N N 3.434 -3.264 -5.125 1.00 . A A . 5 CYS N 1 1 4 984 1 1 5 CYS O O 1.033 -1.891 -5.448 1.00 . A A . 5 CYS O 1 1 4 985 1 1 5 CYS SG S 3.796 -0.809 -3.361 1.00 . A A . 5 CYS SG 1 1 4 986 1 1 6 TRP C C -2.249 -3.510 -3.519 1.00 . A A . 6 TRP C 1 1 4 987 1 1 6 TRP CA C -1.243 -3.161 -4.627 1.00 . A A . 6 TRP CA 1 1 4 988 1 1 6 TRP CB C -1.420 -3.874 -5.993 1.00 . A A . 6 TRP CB 1 1 4 989 1 1 6 TRP CD1 C -2.710 -6.059 -5.769 1.00 . A A . 6 TRP CD1 1 1 4 990 1 1 6 TRP CD2 C -3.736 -4.481 -6.957 1.00 . A A . 6 TRP CD2 1 1 4 991 1 1 6 TRP CE2 C -4.552 -5.616 -6.949 1.00 . A A . 6 TRP CE2 1 1 4 992 1 1 6 TRP CE3 C -4.155 -3.354 -7.635 1.00 . A A . 6 TRP CE3 1 1 4 993 1 1 6 TRP CG C -2.583 -4.774 -6.196 1.00 . A A . 6 TRP CG 1 1 4 994 1 1 6 TRP CH2 C -6.162 -4.510 -8.274 1.00 . A A . 6 TRP CH2 1 1 4 995 1 1 6 TRP CZ2 C -5.775 -5.650 -7.611 1.00 . A A . 6 TRP CZ2 1 1 4 996 1 1 6 TRP CZ3 C -5.354 -3.368 -8.284 1.00 . A A . 6 TRP CZ3 1 1 4 997 1 1 6 TRP H H 0.166 -4.176 -3.515 1.00 . A A . 6 TRP H 1 1 4 998 1 1 6 TRP HA H -1.283 -2.093 -4.774 1.00 . A A . 6 TRP HA 1 1 4 999 1 1 6 TRP HB2 H -1.468 -3.119 -6.764 1.00 . A A . 6 TRP HB2 1 1 4 1000 1 1 6 TRP HB3 H -0.521 -4.448 -6.168 1.00 . A A . 6 TRP HB3 1 1 4 1001 1 1 6 TRP HD1 H -1.960 -6.553 -5.166 1.00 . A A . 6 TRP HD1 1 1 4 1002 1 1 6 TRP HE1 H -4.239 -7.481 -6.040 1.00 . A A . 6 TRP HE1 1 1 4 1003 1 1 6 TRP HE3 H -3.546 -2.463 -7.655 1.00 . A A . 6 TRP HE3 1 1 4 1004 1 1 6 TRP HH2 H -7.105 -4.482 -8.801 1.00 . A A . 6 TRP HH2 1 1 4 1005 1 1 6 TRP HZ2 H -6.406 -6.527 -7.609 1.00 . A A . 6 TRP HZ2 1 1 4 1006 1 1 6 TRP HZ3 H -5.665 -2.460 -8.786 1.00 . A A . 6 TRP HZ3 1 1 4 1007 1 1 6 TRP N N 0.079 -3.451 -4.171 1.00 . A A . 6 TRP N 1 1 4 1008 1 1 6 TRP NE1 N -3.905 -6.578 -6.214 1.00 . A A . 6 TRP NE1 1 1 4 1009 1 1 6 TRP O O -2.052 -4.495 -2.798 1.00 . A A . 6 TRP O 1 1 4 1010 1 1 7 THR C C -5.315 -3.804 -2.567 1.00 . A A . 7 THR C 1 1 4 1011 1 1 7 THR CA C -4.168 -2.868 -2.226 1.00 . A A . 7 THR CA 1 1 4 1012 1 1 7 THR CB C -4.689 -1.495 -1.616 1.00 . A A . 7 THR CB 1 1 4 1013 1 1 7 THR CG2 C -3.522 -0.584 -1.329 1.00 . A A . 7 THR CG2 1 1 4 1014 1 1 7 THR H H -3.504 -1.972 -3.970 1.00 . A A . 7 THR H 1 1 4 1015 1 1 7 THR HA H -3.583 -3.365 -1.464 1.00 . A A . 7 THR HA 1 1 4 1016 1 1 7 THR HB H -5.201 -1.687 -0.686 1.00 . A A . 7 THR HB 1 1 4 1017 1 1 7 THR HG1 H -5.710 0.079 -2.084 1.00 . A A . 7 THR HG1 1 1 4 1018 1 1 7 THR HG21 H -3.061 -0.354 -2.279 1.00 . A A . 7 THR HG21 1 1 4 1019 1 1 7 THR HG22 H -2.816 -1.064 -0.668 1.00 . A A . 7 THR HG22 1 1 4 1020 1 1 7 THR HG23 H -3.903 0.329 -0.894 1.00 . A A . 7 THR HG23 1 1 4 1021 1 1 7 THR N N -3.277 -2.692 -3.338 1.00 . A A . 7 THR N 1 1 4 1022 1 1 7 THR O O -6.297 -3.424 -3.239 1.00 . A A . 7 THR O 1 1 4 1023 1 1 7 THR OG1 O -5.561 -0.780 -2.512 1.00 . A A . 7 THR OG1 1 1 4 1024 1 1 8 LYS C C -7.373 -5.698 -1.374 1.00 . A A . 8 LYS C 1 1 4 1025 1 1 8 LYS CA C -6.221 -6.008 -2.325 1.00 . A A . 8 LYS CA 1 1 4 1026 1 1 8 LYS CB C -5.697 -7.485 -2.237 1.00 . A A . 8 LYS CB 1 1 4 1027 1 1 8 LYS CD C -4.862 -7.588 0.240 1.00 . A A . 8 LYS CD 1 1 4 1028 1 1 8 LYS CE C -5.907 -8.591 0.741 1.00 . A A . 8 LYS CE 1 1 4 1029 1 1 8 LYS CG C -4.523 -7.774 -1.248 1.00 . A A . 8 LYS CG 1 1 4 1030 1 1 8 LYS H H -4.311 -5.285 -1.748 1.00 . A A . 8 LYS H 1 1 4 1031 1 1 8 LYS HA H -6.602 -5.835 -3.321 1.00 . A A . 8 LYS HA 1 1 4 1032 1 1 8 LYS HB2 H -6.523 -8.120 -1.951 1.00 . A A . 8 LYS HB2 1 1 4 1033 1 1 8 LYS HB3 H -5.380 -7.783 -3.227 1.00 . A A . 8 LYS HB3 1 1 4 1034 1 1 8 LYS HD2 H -3.961 -7.712 0.821 1.00 . A A . 8 LYS HD2 1 1 4 1035 1 1 8 LYS HD3 H -5.241 -6.586 0.381 1.00 . A A . 8 LYS HD3 1 1 4 1036 1 1 8 LYS HE2 H -6.136 -8.365 1.773 1.00 . A A . 8 LYS HE2 1 1 4 1037 1 1 8 LYS HE3 H -6.804 -8.487 0.150 1.00 . A A . 8 LYS HE3 1 1 4 1038 1 1 8 LYS HG2 H -4.205 -8.797 -1.385 1.00 . A A . 8 LYS HG2 1 1 4 1039 1 1 8 LYS HG3 H -3.700 -7.123 -1.505 1.00 . A A . 8 LYS HG3 1 1 4 1040 1 1 8 LYS HZ1 H -4.571 -10.110 1.238 1.00 . A A . 8 LYS HZ1 1 1 4 1041 1 1 8 LYS HZ2 H -5.207 -10.249 -0.326 1.00 . A A . 8 LYS HZ2 1 1 4 1042 1 1 8 LYS HZ3 H -6.160 -10.642 1.017 1.00 . A A . 8 LYS HZ3 1 1 4 1043 1 1 8 LYS N N -5.167 -5.047 -2.158 1.00 . A A . 8 LYS N 1 1 4 1044 1 1 8 LYS NZ N -5.427 -9.997 0.658 1.00 . A A . 8 LYS NZ 1 1 4 1045 1 1 8 LYS O O -7.313 -5.950 -0.179 1.00 . A A . 8 LYS O 1 1 4 1046 1 1 9 SER C C -10.675 -4.536 -2.174 1.00 . A A . 9 SER C 1 1 4 1047 1 1 9 SER CA C -9.530 -4.683 -1.193 1.00 . A A . 9 SER CA 1 1 4 1048 1 1 9 SER CB C -9.165 -3.333 -0.550 1.00 . A A . 9 SER CB 1 1 4 1049 1 1 9 SER H H -8.436 -5.013 -2.899 1.00 . A A . 9 SER H 1 1 4 1050 1 1 9 SER HA H -9.777 -5.398 -0.422 1.00 . A A . 9 SER HA 1 1 4 1051 1 1 9 SER HB2 H -10.052 -2.879 -0.132 1.00 . A A . 9 SER HB2 1 1 4 1052 1 1 9 SER HB3 H -8.437 -3.493 0.233 1.00 . A A . 9 SER HB3 1 1 4 1053 1 1 9 SER HG H -7.909 -2.921 -1.994 1.00 . A A . 9 SER HG 1 1 4 1054 1 1 9 SER N N -8.395 -5.139 -1.926 1.00 . A A . 9 SER N 1 1 4 1055 1 1 9 SER O O -10.608 -5.093 -3.268 1.00 . A A . 9 SER O 1 1 4 1056 1 1 9 SER OG O -8.605 -2.445 -1.521 1.00 . A A . 9 SER OG 1 1 4 1057 1 1 10 TYR C C -13.112 -2.048 -2.631 1.00 . A A . 10 TYR C 1 1 4 1058 1 1 10 TYR CA C -12.771 -3.541 -2.720 1.00 . A A . 10 TYR CA 1 1 4 1059 1 1 10 TYR CB C -14.006 -4.408 -2.418 1.00 . A A . 10 TYR CB 1 1 4 1060 1 1 10 TYR CD1 C -15.125 -4.869 -4.639 1.00 . A A . 10 TYR CD1 1 1 4 1061 1 1 10 TYR CD2 C -16.226 -3.400 -3.115 1.00 . A A . 10 TYR CD2 1 1 4 1062 1 1 10 TYR CE1 C -16.151 -4.701 -5.548 1.00 . A A . 10 TYR CE1 1 1 4 1063 1 1 10 TYR CE2 C -17.254 -3.226 -4.021 1.00 . A A . 10 TYR CE2 1 1 4 1064 1 1 10 TYR CG C -15.143 -4.224 -3.408 1.00 . A A . 10 TYR CG 1 1 4 1065 1 1 10 TYR CZ C -17.212 -3.879 -5.235 1.00 . A A . 10 TYR CZ 1 1 4 1066 1 1 10 TYR H H -11.771 -3.451 -0.903 1.00 . A A . 10 TYR H 1 1 4 1067 1 1 10 TYR HA H -12.397 -3.771 -3.710 1.00 . A A . 10 TYR HA 1 1 4 1068 1 1 10 TYR HB2 H -13.718 -5.449 -2.436 1.00 . A A . 10 TYR HB2 1 1 4 1069 1 1 10 TYR HB3 H -14.375 -4.161 -1.434 1.00 . A A . 10 TYR HB3 1 1 4 1070 1 1 10 TYR HD1 H -14.293 -5.513 -4.881 1.00 . A A . 10 TYR HD1 1 1 4 1071 1 1 10 TYR HD2 H -16.256 -2.891 -2.164 1.00 . A A . 10 TYR HD2 1 1 4 1072 1 1 10 TYR HE1 H -16.119 -5.211 -6.499 1.00 . A A . 10 TYR HE1 1 1 4 1073 1 1 10 TYR HE2 H -18.087 -2.583 -3.777 1.00 . A A . 10 TYR HE2 1 1 4 1074 1 1 10 TYR HH H -18.506 -4.556 -6.492 1.00 . A A . 10 TYR HH 1 1 4 1075 1 1 10 TYR N N -11.703 -3.819 -1.807 1.00 . A A . 10 TYR N 1 1 4 1076 1 1 10 TYR O O -13.474 -1.557 -1.564 1.00 . A A . 10 TYR O 1 1 4 1077 1 1 10 TYR OH O -18.233 -3.705 -6.139 1.00 . A A . 10 TYR OH 1 1 4 1078 1 1 11 PRO C C -10.721 -1.930 -4.721 1.00 . A A . 11 PRO C 1 1 4 1079 1 1 11 PRO CA C -12.236 -1.794 -4.905 1.00 . A A . 11 PRO CA 1 1 4 1080 1 1 11 PRO CB C -12.536 -0.742 -5.970 1.00 . A A . 11 PRO CB 1 1 4 1081 1 1 11 PRO CD C -13.274 0.108 -3.865 1.00 . A A . 11 PRO CD 1 1 4 1082 1 1 11 PRO CG C -13.508 0.204 -5.343 1.00 . A A . 11 PRO CG 1 1 4 1083 1 1 11 PRO HA H -12.671 -2.736 -5.204 1.00 . A A . 11 PRO HA 1 1 4 1084 1 1 11 PRO HB2 H -11.608 -0.272 -6.263 1.00 . A A . 11 PRO HB2 1 1 4 1085 1 1 11 PRO HB3 H -12.985 -1.270 -6.797 1.00 . A A . 11 PRO HB3 1 1 4 1086 1 1 11 PRO HD2 H -12.477 0.770 -3.560 1.00 . A A . 11 PRO HD2 1 1 4 1087 1 1 11 PRO HD3 H -14.180 0.318 -3.316 1.00 . A A . 11 PRO HD3 1 1 4 1088 1 1 11 PRO HG2 H -13.323 1.208 -5.698 1.00 . A A . 11 PRO HG2 1 1 4 1089 1 1 11 PRO HG3 H -14.520 -0.098 -5.566 1.00 . A A . 11 PRO HG3 1 1 4 1090 1 1 11 PRO N N -12.882 -1.290 -3.707 1.00 . A A . 11 PRO N 1 1 4 1091 1 1 11 PRO O O -10.117 -1.211 -3.915 1.00 . A A . 11 PRO O 1 1 4 1092 1 1 12 PRO C C -7.941 -2.105 -6.266 1.00 . A A . 12 PRO C 1 1 4 1093 1 1 12 PRO CA C -8.686 -3.096 -5.358 1.00 . A A . 12 PRO CA 1 1 4 1094 1 1 12 PRO CB C -8.543 -4.538 -5.843 1.00 . A A . 12 PRO CB 1 1 4 1095 1 1 12 PRO CD C -10.799 -3.799 -6.321 1.00 . A A . 12 PRO CD 1 1 4 1096 1 1 12 PRO CG C -9.739 -4.800 -6.709 1.00 . A A . 12 PRO CG 1 1 4 1097 1 1 12 PRO HA H -8.315 -2.998 -4.347 1.00 . A A . 12 PRO HA 1 1 4 1098 1 1 12 PRO HB2 H -7.622 -4.641 -6.398 1.00 . A A . 12 PRO HB2 1 1 4 1099 1 1 12 PRO HB3 H -8.553 -5.218 -5.004 1.00 . A A . 12 PRO HB3 1 1 4 1100 1 1 12 PRO HD2 H -11.182 -3.251 -7.165 1.00 . A A . 12 PRO HD2 1 1 4 1101 1 1 12 PRO HD3 H -11.648 -4.242 -5.825 1.00 . A A . 12 PRO HD3 1 1 4 1102 1 1 12 PRO HG2 H -9.466 -4.678 -7.746 1.00 . A A . 12 PRO HG2 1 1 4 1103 1 1 12 PRO HG3 H -10.109 -5.800 -6.534 1.00 . A A . 12 PRO HG3 1 1 4 1104 1 1 12 PRO N N -10.120 -2.871 -5.412 1.00 . A A . 12 PRO N 1 1 4 1105 1 1 12 PRO O O -8.358 -1.855 -7.399 1.00 . A A . 12 PRO O 1 1 4 1106 1 1 13 LYS C C -4.674 -0.538 -6.086 1.00 . A A . 13 LYS C 1 1 4 1107 1 1 13 LYS CA C -6.166 -0.479 -6.494 1.00 . A A . 13 LYS CA 1 1 4 1108 1 1 13 LYS CB C -6.836 0.822 -6.039 1.00 . A A . 13 LYS CB 1 1 4 1109 1 1 13 LYS CD C -5.247 2.773 -6.624 1.00 . A A . 13 LYS CD 1 1 4 1110 1 1 13 LYS CE C -5.129 3.449 -5.245 1.00 . A A . 13 LYS CE 1 1 4 1111 1 1 13 LYS CG C -6.598 2.100 -6.860 1.00 . A A . 13 LYS CG 1 1 4 1112 1 1 13 LYS H H -6.502 -1.815 -4.897 1.00 . A A . 13 LYS H 1 1 4 1113 1 1 13 LYS HA H -6.292 -0.611 -7.558 1.00 . A A . 13 LYS HA 1 1 4 1114 1 1 13 LYS HB2 H -7.900 0.659 -5.942 1.00 . A A . 13 LYS HB2 1 1 4 1115 1 1 13 LYS HB3 H -6.401 0.935 -5.059 1.00 . A A . 13 LYS HB3 1 1 4 1116 1 1 13 LYS HD2 H -4.499 1.996 -6.698 1.00 . A A . 13 LYS HD2 1 1 4 1117 1 1 13 LYS HD3 H -5.079 3.503 -7.402 1.00 . A A . 13 LYS HD3 1 1 4 1118 1 1 13 LYS HE2 H -4.232 4.051 -5.231 1.00 . A A . 13 LYS HE2 1 1 4 1119 1 1 13 LYS HE3 H -5.984 4.094 -5.108 1.00 . A A . 13 LYS HE3 1 1 4 1120 1 1 13 LYS HG2 H -6.669 1.851 -7.908 1.00 . A A . 13 LYS HG2 1 1 4 1121 1 1 13 LYS HG3 H -7.385 2.800 -6.619 1.00 . A A . 13 LYS HG3 1 1 4 1122 1 1 13 LYS HZ1 H -4.247 1.849 -4.223 1.00 . A A . 13 LYS HZ1 1 1 4 1123 1 1 13 LYS HZ2 H -5.918 1.936 -3.958 1.00 . A A . 13 LYS HZ2 1 1 4 1124 1 1 13 LYS HZ3 H -4.939 3.019 -3.217 1.00 . A A . 13 LYS HZ3 1 1 4 1125 1 1 13 LYS N N -6.863 -1.530 -5.768 1.00 . A A . 13 LYS N 1 1 4 1126 1 1 13 LYS NZ N -5.059 2.492 -4.115 1.00 . A A . 13 LYS NZ 1 1 4 1127 1 1 13 LYS O O -4.395 -0.931 -4.988 1.00 . A A . 13 LYS O 1 1 4 1128 1 1 14 PRO C C -1.904 0.581 -5.309 1.00 . A A . 14 PRO C 1 1 4 1129 1 1 14 PRO CA C -2.246 -0.233 -6.597 1.00 . A A . 14 PRO CA 1 1 4 1130 1 1 14 PRO CB C -1.533 0.330 -7.830 1.00 . A A . 14 PRO CB 1 1 4 1131 1 1 14 PRO CD C -3.863 0.185 -8.376 1.00 . A A . 14 PRO CD 1 1 4 1132 1 1 14 PRO CG C -2.609 0.971 -8.651 1.00 . A A . 14 PRO CG 1 1 4 1133 1 1 14 PRO HA H -1.944 -1.254 -6.433 1.00 . A A . 14 PRO HA 1 1 4 1134 1 1 14 PRO HB2 H -0.769 1.020 -7.508 1.00 . A A . 14 PRO HB2 1 1 4 1135 1 1 14 PRO HB3 H -1.085 -0.476 -8.392 1.00 . A A . 14 PRO HB3 1 1 4 1136 1 1 14 PRO HD2 H -4.738 0.804 -8.512 1.00 . A A . 14 PRO HD2 1 1 4 1137 1 1 14 PRO HD3 H -3.912 -0.688 -9.008 1.00 . A A . 14 PRO HD3 1 1 4 1138 1 1 14 PRO HG2 H -2.728 2.001 -8.352 1.00 . A A . 14 PRO HG2 1 1 4 1139 1 1 14 PRO HG3 H -2.367 0.906 -9.701 1.00 . A A . 14 PRO HG3 1 1 4 1140 1 1 14 PRO N N -3.688 -0.197 -6.965 1.00 . A A . 14 PRO N 1 1 4 1141 1 1 14 PRO O O -2.697 1.421 -4.867 1.00 . A A . 14 PRO O 1 1 4 1142 1 1 15 CYS C C -0.373 2.405 -3.358 1.00 . A A . 15 CYS C 1 1 4 1143 1 1 15 CYS CA C -0.340 0.892 -3.443 1.00 . A A . 15 CYS CA 1 1 4 1144 1 1 15 CYS CB C 0.988 0.327 -2.934 1.00 . A A . 15 CYS CB 1 1 4 1145 1 1 15 CYS H H -0.093 -0.282 -5.150 1.00 . A A . 15 CYS H 1 1 4 1146 1 1 15 CYS HA H -1.102 0.553 -2.756 1.00 . A A . 15 CYS HA 1 1 4 1147 1 1 15 CYS HB2 H 1.289 0.880 -2.057 1.00 . A A . 15 CYS HB2 1 1 4 1148 1 1 15 CYS HB3 H 0.816 -0.702 -2.664 1.00 . A A . 15 CYS HB3 1 1 4 1149 1 1 15 CYS N N -0.739 0.319 -4.724 1.00 . A A . 15 CYS N 1 1 4 1150 1 1 15 CYS O O 0.250 3.145 -4.138 1.00 . A A . 15 CYS O 1 1 4 1151 1 1 15 CYS SG S 2.360 0.397 -4.133 1.00 . A A . 15 CYS SG 1 1 4 1152 1 1 16 PHE C C -1.666 4.074 -0.533 1.00 . A A . 16 PHE C 1 1 4 1153 1 1 16 PHE CA C -1.327 4.181 -2.027 1.00 . A A . 16 PHE CA 1 1 4 1154 1 1 16 PHE CB C -2.473 4.805 -2.870 1.00 . A A . 16 PHE CB 1 1 4 1155 1 1 16 PHE CD1 C -1.703 7.182 -3.176 1.00 . A A . 16 PHE CD1 1 1 4 1156 1 1 16 PHE CD2 C -3.799 6.810 -2.099 1.00 . A A . 16 PHE CD2 1 1 4 1157 1 1 16 PHE CE1 C -1.869 8.545 -3.031 1.00 . A A . 16 PHE CE1 1 1 4 1158 1 1 16 PHE CE2 C -3.970 8.171 -1.951 1.00 . A A . 16 PHE CE2 1 1 4 1159 1 1 16 PHE CG C -2.663 6.297 -2.713 1.00 . A A . 16 PHE CG 1 1 4 1160 1 1 16 PHE CZ C -3.004 9.041 -2.418 1.00 . A A . 16 PHE CZ 1 1 4 1161 1 1 16 PHE H H -1.608 2.129 -1.909 1.00 . A A . 16 PHE H 1 1 4 1162 1 1 16 PHE HA H -0.396 4.716 -2.158 1.00 . A A . 16 PHE HA 1 1 4 1163 1 1 16 PHE HB2 H -2.276 4.616 -3.915 1.00 . A A . 16 PHE HB2 1 1 4 1164 1 1 16 PHE HB3 H -3.399 4.319 -2.601 1.00 . A A . 16 PHE HB3 1 1 4 1165 1 1 16 PHE HD1 H -0.815 6.796 -3.655 1.00 . A A . 16 PHE HD1 1 1 4 1166 1 1 16 PHE HD2 H -4.555 6.130 -1.733 1.00 . A A . 16 PHE HD2 1 1 4 1167 1 1 16 PHE HE1 H -1.112 9.224 -3.397 1.00 . A A . 16 PHE HE1 1 1 4 1168 1 1 16 PHE HE2 H -4.858 8.556 -1.472 1.00 . A A . 16 PHE HE2 1 1 4 1169 1 1 16 PHE HZ H -3.135 10.106 -2.304 1.00 . A A . 16 PHE HZ 1 1 4 1170 1 1 16 PHE N N -1.137 2.819 -2.422 1.00 . A A . 16 PHE N 1 1 4 1171 1 1 16 PHE O O -1.425 3.017 0.041 1.00 . A A . 16 PHE O 1 1 4 1172 1 1 17 VAL C C -3.938 4.302 1.701 1.00 . A A . 17 VAL C 1 1 4 1173 1 1 17 VAL CA C -2.588 5.039 1.522 1.00 . A A . 17 VAL CA 1 1 4 1174 1 1 17 VAL CB C -2.620 6.470 2.160 1.00 . A A . 17 VAL CB 1 1 4 1175 1 1 17 VAL CG1 C -2.754 6.425 3.681 1.00 . A A . 17 VAL CG1 1 1 4 1176 1 1 17 VAL CG2 C -1.382 7.269 1.760 1.00 . A A . 17 VAL CG2 1 1 4 1177 1 1 17 VAL H H -2.445 5.913 -0.418 1.00 . A A . 17 VAL H 1 1 4 1178 1 1 17 VAL HA H -1.835 4.430 1.986 1.00 . A A . 17 VAL HA 1 1 4 1179 1 1 17 VAL HB H -3.487 6.983 1.769 1.00 . A A . 17 VAL HB 1 1 4 1180 1 1 17 VAL HG11 H -3.671 5.919 3.946 1.00 . A A . 17 VAL HG11 1 1 4 1181 1 1 17 VAL HG12 H -2.771 7.431 4.073 1.00 . A A . 17 VAL HG12 1 1 4 1182 1 1 17 VAL HG13 H -1.914 5.890 4.100 1.00 . A A . 17 VAL HG13 1 1 4 1183 1 1 17 VAL HG21 H -1.348 7.365 0.685 1.00 . A A . 17 VAL HG21 1 1 4 1184 1 1 17 VAL HG22 H -0.496 6.755 2.104 1.00 . A A . 17 VAL HG22 1 1 4 1185 1 1 17 VAL HG23 H -1.425 8.250 2.209 1.00 . A A . 17 VAL HG23 1 1 4 1186 1 1 17 VAL N N -2.238 5.096 0.080 1.00 . A A . 17 VAL N 1 1 4 1187 1 1 17 VAL O O -4.443 4.083 2.795 1.00 . A A . 17 VAL O 1 1 4 1188 1 1 18 ARG C C -5.652 2.806 -1.034 1.00 . A A . 18 ARG C 1 1 4 1189 1 1 18 ARG CA C -5.665 3.191 0.424 1.00 . A A . 18 ARG CA 1 1 4 1190 1 1 18 ARG CB C -6.905 4.084 0.784 1.00 . A A . 18 ARG CB 1 1 4 1191 1 1 18 ARG CD C -8.738 3.037 -0.631 1.00 . A A . 18 ARG CD 1 1 4 1192 1 1 18 ARG CG C -8.264 3.353 0.779 1.00 . A A . 18 ARG CG 1 1 4 1193 1 1 18 ARG CZ C -9.644 0.806 -1.197 1.00 . A A . 18 ARG CZ 1 1 4 1194 1 1 18 ARG H H -3.903 4.103 -0.197 1.00 . A A . 18 ARG H 1 1 4 1195 1 1 18 ARG HA H -5.634 2.301 1.034 1.00 . A A . 18 ARG HA 1 1 4 1196 1 1 18 ARG HB2 H -6.754 4.497 1.771 1.00 . A A . 18 ARG HB2 1 1 4 1197 1 1 18 ARG HB3 H -6.955 4.896 0.075 1.00 . A A . 18 ARG HB3 1 1 4 1198 1 1 18 ARG HD2 H -9.109 3.948 -1.079 1.00 . A A . 18 ARG HD2 1 1 4 1199 1 1 18 ARG HD3 H -7.897 2.681 -1.207 1.00 . A A . 18 ARG HD3 1 1 4 1200 1 1 18 ARG HE H -10.670 2.342 -0.324 1.00 . A A . 18 ARG HE 1 1 4 1201 1 1 18 ARG HG2 H -8.163 2.425 1.322 1.00 . A A . 18 ARG HG2 1 1 4 1202 1 1 18 ARG HG3 H -8.997 3.976 1.268 1.00 . A A . 18 ARG HG3 1 1 4 1203 1 1 18 ARG HH11 H -7.585 0.923 -1.428 1.00 . A A . 18 ARG HH11 1 1 4 1204 1 1 18 ARG HH12 H -8.299 -0.553 -1.905 1.00 . A A . 18 ARG HH12 1 1 4 1205 1 1 18 ARG HH21 H -11.624 0.204 -1.073 1.00 . A A . 18 ARG HH21 1 1 4 1206 1 1 18 ARG HH22 H -10.534 -0.898 -1.785 1.00 . A A . 18 ARG HH22 1 1 4 1207 1 1 18 ARG N N -4.439 3.907 0.596 1.00 . A A . 18 ARG N 1 1 4 1208 1 1 18 ARG NE N -9.804 2.035 -0.668 1.00 . A A . 18 ARG NE 1 1 4 1209 1 1 18 ARG NH1 N -8.429 0.376 -1.538 1.00 . A A . 18 ARG NH1 1 1 4 1210 1 1 18 ARG NH2 N -10.683 -0.009 -1.341 1.00 . A A . 18 ARG NH2 1 1 4 1211 1 1 18 ARG O O -6.023 1.661 -1.410 1.00 . A A . 18 ARG O 1 1 4 1212 1 1 18 ARG OXT O -5.172 3.630 -1.825 1.00 . A A . 18 ARG OXT 1 1 5 1213 1 1 1 LEU C C 6.373 -2.579 0.007 1.00 . A A . 1 LEU C 1 1 5 1214 1 1 1 LEU CA C 7.125 -3.846 -0.270 1.00 . A A . 1 LEU CA 1 1 5 1215 1 1 1 LEU CB C 8.500 -3.508 -0.919 1.00 . A A . 1 LEU CB 1 1 5 1216 1 1 1 LEU CD1 C 9.085 -5.640 -2.218 1.00 . A A . 1 LEU CD1 1 1 5 1217 1 1 1 LEU CD2 C 10.895 -4.085 -1.460 1.00 . A A . 1 LEU CD2 1 1 5 1218 1 1 1 LEU CG C 9.522 -4.656 -1.138 1.00 . A A . 1 LEU CG 1 1 5 1219 1 1 1 LEU H1 H 5.359 -4.779 -0.689 1.00 . A A . 1 LEU H1 1 1 5 1220 1 1 1 LEU HA H 7.269 -4.381 0.659 1.00 . A A . 1 LEU HA 1 1 5 1221 1 1 1 LEU HB2 H 8.303 -3.064 -1.883 1.00 . A A . 1 LEU HB2 1 1 5 1222 1 1 1 LEU HB3 H 8.970 -2.756 -0.303 1.00 . A A . 1 LEU HB3 1 1 5 1223 1 1 1 LEU HD11 H 9.868 -6.368 -2.368 1.00 . A A . 1 LEU HD11 1 1 5 1224 1 1 1 LEU HD12 H 8.898 -5.114 -3.143 1.00 . A A . 1 LEU HD12 1 1 5 1225 1 1 1 LEU HD13 H 8.189 -6.151 -1.904 1.00 . A A . 1 LEU HD13 1 1 5 1226 1 1 1 LEU HD21 H 11.594 -4.894 -1.615 1.00 . A A . 1 LEU HD21 1 1 5 1227 1 1 1 LEU HD22 H 11.232 -3.471 -0.638 1.00 . A A . 1 LEU HD22 1 1 5 1228 1 1 1 LEU HD23 H 10.835 -3.485 -2.356 1.00 . A A . 1 LEU HD23 1 1 5 1229 1 1 1 LEU HG H 9.609 -5.212 -0.217 1.00 . A A . 1 LEU HG 1 1 5 1230 1 1 1 LEU N N 6.281 -4.663 -1.153 1.00 . A A . 1 LEU N 1 1 5 1231 1 1 1 LEU O O 5.229 -2.472 -0.405 1.00 . A A . 1 LEU O 1 1 5 1232 1 1 2 VAL C C 6.369 0.412 -0.383 1.00 . A A . 2 VAL C 1 1 5 1233 1 1 2 VAL CA C 6.360 -0.355 0.941 1.00 . A A . 2 VAL CA 1 1 5 1234 1 1 2 VAL CB C 7.083 0.450 2.080 1.00 . A A . 2 VAL CB 1 1 5 1235 1 1 2 VAL CG1 C 8.556 0.704 1.762 1.00 . A A . 2 VAL CG1 1 1 5 1236 1 1 2 VAL CG2 C 6.359 1.759 2.383 1.00 . A A . 2 VAL CG2 1 1 5 1237 1 1 2 VAL H H 7.880 -1.784 1.075 1.00 . A A . 2 VAL H 1 1 5 1238 1 1 2 VAL HA H 5.331 -0.540 1.218 1.00 . A A . 2 VAL HA 1 1 5 1239 1 1 2 VAL HB H 7.053 -0.164 2.969 1.00 . A A . 2 VAL HB 1 1 5 1240 1 1 2 VAL HG11 H 8.632 1.271 0.847 1.00 . A A . 2 VAL HG11 1 1 5 1241 1 1 2 VAL HG12 H 9.068 -0.240 1.643 1.00 . A A . 2 VAL HG12 1 1 5 1242 1 1 2 VAL HG13 H 9.009 1.259 2.569 1.00 . A A . 2 VAL HG13 1 1 5 1243 1 1 2 VAL HG21 H 6.882 2.289 3.165 1.00 . A A . 2 VAL HG21 1 1 5 1244 1 1 2 VAL HG22 H 5.349 1.548 2.703 1.00 . A A . 2 VAL HG22 1 1 5 1245 1 1 2 VAL HG23 H 6.331 2.368 1.491 1.00 . A A . 2 VAL HG23 1 1 5 1246 1 1 2 VAL N N 6.983 -1.642 0.711 1.00 . A A . 2 VAL N 1 1 5 1247 1 1 2 VAL O O 7.356 0.328 -1.131 1.00 . A A . 2 VAL O 1 1 5 1248 1 1 3 ARG C C 4.839 0.804 -3.123 1.00 . A A . 3 ARG C 1 1 5 1249 1 1 3 ARG CA C 5.029 1.802 -1.975 1.00 . A A . 3 ARG CA 1 1 5 1250 1 1 3 ARG CB C 6.192 2.829 -2.231 1.00 . A A . 3 ARG CB 1 1 5 1251 1 1 3 ARG CD C 6.177 3.494 -4.784 1.00 . A A . 3 ARG CD 1 1 5 1252 1 1 3 ARG CG C 5.995 3.940 -3.312 1.00 . A A . 3 ARG CG 1 1 5 1253 1 1 3 ARG CZ C 4.903 2.384 -6.634 1.00 . A A . 3 ARG CZ 1 1 5 1254 1 1 3 ARG H H 4.485 1.004 -0.086 1.00 . A A . 3 ARG H 1 1 5 1255 1 1 3 ARG HA H 4.093 2.329 -1.859 1.00 . A A . 3 ARG HA 1 1 5 1256 1 1 3 ARG HB2 H 6.395 3.334 -1.299 1.00 . A A . 3 ARG HB2 1 1 5 1257 1 1 3 ARG HB3 H 7.072 2.259 -2.492 1.00 . A A . 3 ARG HB3 1 1 5 1258 1 1 3 ARG HD2 H 6.386 4.369 -5.383 1.00 . A A . 3 ARG HD2 1 1 5 1259 1 1 3 ARG HD3 H 7.028 2.830 -4.832 1.00 . A A . 3 ARG HD3 1 1 5 1260 1 1 3 ARG HE H 4.250 2.667 -4.751 1.00 . A A . 3 ARG HE 1 1 5 1261 1 1 3 ARG HG2 H 4.993 4.330 -3.216 1.00 . A A . 3 ARG HG2 1 1 5 1262 1 1 3 ARG HG3 H 6.692 4.738 -3.099 1.00 . A A . 3 ARG HG3 1 1 5 1263 1 1 3 ARG HH11 H 6.791 2.943 -7.190 1.00 . A A . 3 ARG HH11 1 1 5 1264 1 1 3 ARG HH12 H 5.887 2.213 -8.433 1.00 . A A . 3 ARG HH12 1 1 5 1265 1 1 3 ARG HH21 H 2.988 1.701 -6.420 1.00 . A A . 3 ARG HH21 1 1 5 1266 1 1 3 ARG HH22 H 3.630 1.463 -7.974 1.00 . A A . 3 ARG HH22 1 1 5 1267 1 1 3 ARG N N 5.237 1.051 -0.713 1.00 . A A . 3 ARG N 1 1 5 1268 1 1 3 ARG NE N 5.006 2.813 -5.364 1.00 . A A . 3 ARG NE 1 1 5 1269 1 1 3 ARG NH1 N 5.930 2.522 -7.481 1.00 . A A . 3 ARG NH1 1 1 5 1270 1 1 3 ARG NH2 N 3.773 1.812 -7.047 1.00 . A A . 3 ARG NH2 1 1 5 1271 1 1 3 ARG O O 3.837 0.855 -3.833 1.00 . A A . 3 ARG O 1 1 5 1272 1 1 4 GLY C C 4.835 -2.273 -3.837 1.00 . A A . 4 GLY C 1 1 5 1273 1 1 4 GLY CA C 5.686 -1.110 -4.302 1.00 . A A . 4 GLY CA 1 1 5 1274 1 1 4 GLY H H 6.550 -0.072 -2.671 1.00 . A A . 4 GLY H 1 1 5 1275 1 1 4 GLY HA2 H 5.244 -0.677 -5.187 1.00 . A A . 4 GLY HA2 1 1 5 1276 1 1 4 GLY HA3 H 6.676 -1.473 -4.537 1.00 . A A . 4 GLY HA3 1 1 5 1277 1 1 4 GLY N N 5.780 -0.099 -3.285 1.00 . A A . 4 GLY N 1 1 5 1278 1 1 4 GLY O O 5.358 -3.304 -3.355 1.00 . A A . 4 GLY O 1 1 5 1279 1 1 5 CYS C C 1.308 -2.791 -4.369 1.00 . A A . 5 CYS C 1 1 5 1280 1 1 5 CYS CA C 2.567 -3.063 -3.599 1.00 . A A . 5 CYS CA 1 1 5 1281 1 1 5 CYS CB C 2.299 -3.136 -2.084 1.00 . A A . 5 CYS CB 1 1 5 1282 1 1 5 CYS H H 3.189 -1.217 -4.200 1.00 . A A . 5 CYS H 1 1 5 1283 1 1 5 CYS HA H 2.900 -4.024 -3.940 1.00 . A A . 5 CYS HA 1 1 5 1284 1 1 5 CYS HB2 H 1.363 -3.664 -2.019 1.00 . A A . 5 CYS HB2 1 1 5 1285 1 1 5 CYS HB3 H 3.084 -3.677 -1.576 1.00 . A A . 5 CYS HB3 1 1 5 1286 1 1 5 CYS N N 3.548 -2.084 -3.918 1.00 . A A . 5 CYS N 1 1 5 1287 1 1 5 CYS O O 1.284 -1.919 -5.255 1.00 . A A . 5 CYS O 1 1 5 1288 1 1 5 CYS SG S 1.990 -1.560 -1.215 1.00 . A A . 5 CYS SG 1 1 5 1289 1 1 6 TRP C C -2.011 -3.729 -3.579 1.00 . A A . 6 TRP C 1 1 5 1290 1 1 6 TRP CA C -0.990 -3.314 -4.631 1.00 . A A . 6 TRP CA 1 1 5 1291 1 1 6 TRP CB C -1.075 -4.066 -5.981 1.00 . A A . 6 TRP CB 1 1 5 1292 1 1 6 TRP CD1 C -1.910 -6.458 -5.873 1.00 . A A . 6 TRP CD1 1 1 5 1293 1 1 6 TRP CD2 C -3.435 -4.963 -6.510 1.00 . A A . 6 TRP CD2 1 1 5 1294 1 1 6 TRP CE2 C -4.033 -6.228 -6.522 1.00 . A A . 6 TRP CE2 1 1 5 1295 1 1 6 TRP CE3 C -4.186 -3.850 -6.867 1.00 . A A . 6 TRP CE3 1 1 5 1296 1 1 6 TRP CG C -2.090 -5.133 -6.100 1.00 . A A . 6 TRP CG 1 1 5 1297 1 1 6 TRP CH2 C -6.075 -5.299 -7.234 1.00 . A A . 6 TRP CH2 1 1 5 1298 1 1 6 TRP CZ2 C -5.359 -6.414 -6.885 1.00 . A A . 6 TRP CZ2 1 1 5 1299 1 1 6 TRP CZ3 C -5.491 -4.016 -7.224 1.00 . A A . 6 TRP CZ3 1 1 5 1300 1 1 6 TRP H H 0.345 -4.247 -3.412 1.00 . A A . 6 TRP H 1 1 5 1301 1 1 6 TRP HA H -1.100 -2.252 -4.788 1.00 . A A . 6 TRP HA 1 1 5 1302 1 1 6 TRP HB2 H -1.272 -3.363 -6.775 1.00 . A A . 6 TRP HB2 1 1 5 1303 1 1 6 TRP HB3 H -0.108 -4.509 -6.167 1.00 . A A . 6 TRP HB3 1 1 5 1304 1 1 6 TRP HD1 H -0.966 -6.874 -5.545 1.00 . A A . 6 TRP HD1 1 1 5 1305 1 1 6 TRP HE1 H -3.199 -8.102 -6.041 1.00 . A A . 6 TRP HE1 1 1 5 1306 1 1 6 TRP HE3 H -3.752 -2.862 -6.863 1.00 . A A . 6 TRP HE3 1 1 5 1307 1 1 6 TRP HH2 H -7.109 -5.403 -7.527 1.00 . A A . 6 TRP HH2 1 1 5 1308 1 1 6 TRP HZ2 H -5.820 -7.390 -6.897 1.00 . A A . 6 TRP HZ2 1 1 5 1309 1 1 6 TRP HZ3 H -6.059 -3.129 -7.484 1.00 . A A . 6 TRP HZ3 1 1 5 1310 1 1 6 TRP N N 0.284 -3.517 -4.063 1.00 . A A . 6 TRP N 1 1 5 1311 1 1 6 TRP NE1 N -3.078 -7.134 -6.129 1.00 . A A . 6 TRP NE1 1 1 5 1312 1 1 6 TRP O O -1.826 -4.747 -2.913 1.00 . A A . 6 TRP O 1 1 5 1313 1 1 7 THR C C -5.135 -3.986 -2.796 1.00 . A A . 7 THR C 1 1 5 1314 1 1 7 THR CA C -3.949 -3.170 -2.300 1.00 . A A . 7 THR CA 1 1 5 1315 1 1 7 THR CB C -4.429 -1.840 -1.589 1.00 . A A . 7 THR CB 1 1 5 1316 1 1 7 THR CG2 C -3.233 -0.944 -1.275 1.00 . A A . 7 THR CG2 1 1 5 1317 1 1 7 THR H H -3.195 -2.141 -3.947 1.00 . A A . 7 THR H 1 1 5 1318 1 1 7 THR HA H -3.420 -3.770 -1.573 1.00 . A A . 7 THR HA 1 1 5 1319 1 1 7 THR HB H -4.922 -2.087 -0.662 1.00 . A A . 7 THR HB 1 1 5 1320 1 1 7 THR HG1 H -4.851 -0.880 -3.241 1.00 . A A . 7 THR HG1 1 1 5 1321 1 1 7 THR HG21 H -2.512 -1.494 -0.689 1.00 . A A . 7 THR HG21 1 1 5 1322 1 1 7 THR HG22 H -3.558 -0.067 -0.737 1.00 . A A . 7 THR HG22 1 1 5 1323 1 1 7 THR HG23 H -2.780 -0.615 -2.202 1.00 . A A . 7 THR HG23 1 1 5 1324 1 1 7 THR N N -3.025 -2.918 -3.369 1.00 . A A . 7 THR N 1 1 5 1325 1 1 7 THR O O -5.891 -3.564 -3.697 1.00 . A A . 7 THR O 1 1 5 1326 1 1 7 THR OG1 O -5.317 -1.094 -2.424 1.00 . A A . 7 THR OG1 1 1 5 1327 1 1 8 LYS C C -7.523 -5.784 -1.632 1.00 . A A . 8 LYS C 1 1 5 1328 1 1 8 LYS CA C -6.388 -5.981 -2.618 1.00 . A A . 8 LYS CA 1 1 5 1329 1 1 8 LYS CB C -6.019 -7.477 -2.814 1.00 . A A . 8 LYS CB 1 1 5 1330 1 1 8 LYS CD C -8.219 -7.901 -4.027 1.00 . A A . 8 LYS CD 1 1 5 1331 1 1 8 LYS CE C -9.532 -8.662 -3.979 1.00 . A A . 8 LYS CE 1 1 5 1332 1 1 8 LYS CG C -7.237 -8.410 -2.972 1.00 . A A . 8 LYS CG 1 1 5 1333 1 1 8 LYS H H -4.603 -5.480 -1.626 1.00 . A A . 8 LYS H 1 1 5 1334 1 1 8 LYS HA H -6.732 -5.589 -3.565 1.00 . A A . 8 LYS HA 1 1 5 1335 1 1 8 LYS HB2 H -5.407 -7.569 -3.699 1.00 . A A . 8 LYS HB2 1 1 5 1336 1 1 8 LYS HB3 H -5.447 -7.807 -1.959 1.00 . A A . 8 LYS HB3 1 1 5 1337 1 1 8 LYS HD2 H -8.422 -6.857 -3.840 1.00 . A A . 8 LYS HD2 1 1 5 1338 1 1 8 LYS HD3 H -7.777 -8.014 -5.007 1.00 . A A . 8 LYS HD3 1 1 5 1339 1 1 8 LYS HE2 H -9.380 -9.651 -4.385 1.00 . A A . 8 LYS HE2 1 1 5 1340 1 1 8 LYS HE3 H -9.855 -8.739 -2.951 1.00 . A A . 8 LYS HE3 1 1 5 1341 1 1 8 LYS HG2 H -6.894 -9.392 -3.262 1.00 . A A . 8 LYS HG2 1 1 5 1342 1 1 8 LYS HG3 H -7.745 -8.476 -2.021 1.00 . A A . 8 LYS HG3 1 1 5 1343 1 1 8 LYS HZ1 H -10.745 -7.022 -4.356 1.00 . A A . 8 LYS HZ1 1 1 5 1344 1 1 8 LYS HZ2 H -11.477 -8.505 -4.718 1.00 . A A . 8 LYS HZ2 1 1 5 1345 1 1 8 LYS HZ3 H -10.298 -7.865 -5.760 1.00 . A A . 8 LYS HZ3 1 1 5 1346 1 1 8 LYS N N -5.272 -5.168 -2.271 1.00 . A A . 8 LYS N 1 1 5 1347 1 1 8 LYS NZ N -10.587 -7.971 -4.768 1.00 . A A . 8 LYS NZ 1 1 5 1348 1 1 8 LYS O O -7.487 -6.252 -0.508 1.00 . A A . 8 LYS O 1 1 5 1349 1 1 9 SER C C -10.834 -4.751 -2.380 1.00 . A A . 9 SER C 1 1 5 1350 1 1 9 SER CA C -9.695 -4.812 -1.347 1.00 . A A . 9 SER CA 1 1 5 1351 1 1 9 SER CB C -9.528 -3.462 -0.597 1.00 . A A . 9 SER CB 1 1 5 1352 1 1 9 SER H H -8.423 -4.655 -2.966 1.00 . A A . 9 SER H 1 1 5 1353 1 1 9 SER HA H -9.865 -5.613 -0.644 1.00 . A A . 9 SER HA 1 1 5 1354 1 1 9 SER HB2 H -8.632 -3.498 0.005 1.00 . A A . 9 SER HB2 1 1 5 1355 1 1 9 SER HB3 H -9.439 -2.665 -1.320 1.00 . A A . 9 SER HB3 1 1 5 1356 1 1 9 SER HG H -10.408 -2.453 0.830 1.00 . A A . 9 SER HG 1 1 5 1357 1 1 9 SER N N -8.504 -5.071 -2.084 1.00 . A A . 9 SER N 1 1 5 1358 1 1 9 SER O O -10.756 -5.431 -3.456 1.00 . A A . 9 SER O 1 1 5 1359 1 1 9 SER OG O -10.633 -3.191 0.255 1.00 . A A . 9 SER OG 1 1 5 1360 1 1 10 TYR C C -13.526 -2.385 -2.611 1.00 . A A . 10 TYR C 1 1 5 1361 1 1 10 TYR CA C -12.957 -3.767 -2.958 1.00 . A A . 10 TYR CA 1 1 5 1362 1 1 10 TYR CB C -14.039 -4.853 -2.849 1.00 . A A . 10 TYR CB 1 1 5 1363 1 1 10 TYR CD1 C -15.057 -4.974 -5.161 1.00 . A A . 10 TYR CD1 1 1 5 1364 1 1 10 TYR CD2 C -16.423 -4.173 -3.378 1.00 . A A . 10 TYR CD2 1 1 5 1365 1 1 10 TYR CE1 C -16.104 -4.798 -6.045 1.00 . A A . 10 TYR CE1 1 1 5 1366 1 1 10 TYR CE2 C -17.474 -3.994 -4.256 1.00 . A A . 10 TYR CE2 1 1 5 1367 1 1 10 TYR CG C -15.198 -4.666 -3.814 1.00 . A A . 10 TYR CG 1 1 5 1368 1 1 10 TYR CZ C -17.310 -4.307 -5.588 1.00 . A A . 10 TYR CZ 1 1 5 1369 1 1 10 TYR H H -11.892 -3.610 -1.174 1.00 . A A . 10 TYR H 1 1 5 1370 1 1 10 TYR HA H -12.551 -3.744 -3.963 1.00 . A A . 10 TYR HA 1 1 5 1371 1 1 10 TYR HB2 H -13.589 -5.814 -3.045 1.00 . A A . 10 TYR HB2 1 1 5 1372 1 1 10 TYR HB3 H -14.437 -4.850 -1.845 1.00 . A A . 10 TYR HB3 1 1 5 1373 1 1 10 TYR HD1 H -14.112 -5.358 -5.516 1.00 . A A . 10 TYR HD1 1 1 5 1374 1 1 10 TYR HD2 H -16.550 -3.929 -2.334 1.00 . A A . 10 TYR HD2 1 1 5 1375 1 1 10 TYR HE1 H -15.976 -5.044 -7.089 1.00 . A A . 10 TYR HE1 1 1 5 1376 1 1 10 TYR HE2 H -18.418 -3.609 -3.900 1.00 . A A . 10 TYR HE2 1 1 5 1377 1 1 10 TYR HH H -18.781 -3.287 -6.294 1.00 . A A . 10 TYR HH 1 1 5 1378 1 1 10 TYR N N -11.865 -4.026 -2.068 1.00 . A A . 10 TYR N 1 1 5 1379 1 1 10 TYR O O -14.152 -2.221 -1.575 1.00 . A A . 10 TYR O 1 1 5 1380 1 1 10 TYR OH O -18.352 -4.128 -6.468 1.00 . A A . 10 TYR OH 1 1 5 1381 1 1 11 PRO C C -10.977 -1.694 -4.385 1.00 . A A . 11 PRO C 1 1 5 1382 1 1 11 PRO CA C -12.482 -1.521 -4.658 1.00 . A A . 11 PRO CA 1 1 5 1383 1 1 11 PRO CB C -12.730 -0.237 -5.440 1.00 . A A . 11 PRO CB 1 1 5 1384 1 1 11 PRO CD C -13.720 0.003 -3.273 1.00 . A A . 11 PRO CD 1 1 5 1385 1 1 11 PRO CG C -13.794 0.499 -4.687 1.00 . A A . 11 PRO CG 1 1 5 1386 1 1 11 PRO HA H -12.863 -2.355 -5.226 1.00 . A A . 11 PRO HA 1 1 5 1387 1 1 11 PRO HB2 H -11.800 0.306 -5.515 1.00 . A A . 11 PRO HB2 1 1 5 1388 1 1 11 PRO HB3 H -13.085 -0.536 -6.414 1.00 . A A . 11 PRO HB3 1 1 5 1389 1 1 11 PRO HD2 H -13.003 0.578 -2.705 1.00 . A A . 11 PRO HD2 1 1 5 1390 1 1 11 PRO HD3 H -14.692 0.033 -2.804 1.00 . A A . 11 PRO HD3 1 1 5 1391 1 1 11 PRO HG2 H -13.604 1.562 -4.733 1.00 . A A . 11 PRO HG2 1 1 5 1392 1 1 11 PRO HG3 H -14.766 0.271 -5.098 1.00 . A A . 11 PRO HG3 1 1 5 1393 1 1 11 PRO N N -13.268 -1.372 -3.448 1.00 . A A . 11 PRO N 1 1 5 1394 1 1 11 PRO O O -10.441 -1.166 -3.417 1.00 . A A . 11 PRO O 1 1 5 1395 1 1 12 PRO C C -8.064 -1.680 -5.861 1.00 . A A . 12 PRO C 1 1 5 1396 1 1 12 PRO CA C -8.886 -2.733 -5.096 1.00 . A A . 12 PRO CA 1 1 5 1397 1 1 12 PRO CB C -8.747 -4.110 -5.718 1.00 . A A . 12 PRO CB 1 1 5 1398 1 1 12 PRO CD C -10.903 -3.200 -6.344 1.00 . A A . 12 PRO CD 1 1 5 1399 1 1 12 PRO CG C -9.845 -4.207 -6.737 1.00 . A A . 12 PRO CG 1 1 5 1400 1 1 12 PRO HA H -8.570 -2.756 -4.064 1.00 . A A . 12 PRO HA 1 1 5 1401 1 1 12 PRO HB2 H -7.767 -4.186 -6.164 1.00 . A A . 12 PRO HB2 1 1 5 1402 1 1 12 PRO HB3 H -8.882 -4.876 -4.968 1.00 . A A . 12 PRO HB3 1 1 5 1403 1 1 12 PRO HD2 H -11.121 -2.504 -7.136 1.00 . A A . 12 PRO HD2 1 1 5 1404 1 1 12 PRO HD3 H -11.831 -3.662 -6.052 1.00 . A A . 12 PRO HD3 1 1 5 1405 1 1 12 PRO HG2 H -9.449 -3.978 -7.716 1.00 . A A . 12 PRO HG2 1 1 5 1406 1 1 12 PRO HG3 H -10.273 -5.199 -6.728 1.00 . A A . 12 PRO HG3 1 1 5 1407 1 1 12 PRO N N -10.312 -2.488 -5.211 1.00 . A A . 12 PRO N 1 1 5 1408 1 1 12 PRO O O -8.506 -1.161 -6.893 1.00 . A A . 12 PRO O 1 1 5 1409 1 1 13 LYS C C -4.591 -0.516 -5.782 1.00 . A A . 13 LYS C 1 1 5 1410 1 1 13 LYS CA C -6.110 -0.288 -5.938 1.00 . A A . 13 LYS CA 1 1 5 1411 1 1 13 LYS CB C -6.560 0.980 -5.202 1.00 . A A . 13 LYS CB 1 1 5 1412 1 1 13 LYS CD C -5.713 2.608 -6.932 1.00 . A A . 13 LYS CD 1 1 5 1413 1 1 13 LYS CE C -5.032 3.948 -7.131 1.00 . A A . 13 LYS CE 1 1 5 1414 1 1 13 LYS CG C -5.781 2.257 -5.462 1.00 . A A . 13 LYS CG 1 1 5 1415 1 1 13 LYS H H -6.503 -1.876 -4.614 1.00 . A A . 13 LYS H 1 1 5 1416 1 1 13 LYS HA H -6.382 -0.183 -6.976 1.00 . A A . 13 LYS HA 1 1 5 1417 1 1 13 LYS HB2 H -7.599 1.164 -5.438 1.00 . A A . 13 LYS HB2 1 1 5 1418 1 1 13 LYS HB3 H -6.482 0.716 -4.160 1.00 . A A . 13 LYS HB3 1 1 5 1419 1 1 13 LYS HD2 H -5.147 1.834 -7.428 1.00 . A A . 13 LYS HD2 1 1 5 1420 1 1 13 LYS HD3 H -6.714 2.646 -7.336 1.00 . A A . 13 LYS HD3 1 1 5 1421 1 1 13 LYS HE2 H -4.827 4.084 -8.182 1.00 . A A . 13 LYS HE2 1 1 5 1422 1 1 13 LYS HE3 H -5.692 4.731 -6.789 1.00 . A A . 13 LYS HE3 1 1 5 1423 1 1 13 LYS HG2 H -6.256 3.072 -4.935 1.00 . A A . 13 LYS HG2 1 1 5 1424 1 1 13 LYS HG3 H -4.776 2.130 -5.084 1.00 . A A . 13 LYS HG3 1 1 5 1425 1 1 13 LYS HZ1 H -3.325 4.971 -6.539 1.00 . A A . 13 LYS HZ1 1 1 5 1426 1 1 13 LYS HZ2 H -3.073 3.282 -6.599 1.00 . A A . 13 LYS HZ2 1 1 5 1427 1 1 13 LYS HZ3 H -3.976 4.034 -5.365 1.00 . A A . 13 LYS HZ3 1 1 5 1428 1 1 13 LYS N N -6.880 -1.371 -5.372 1.00 . A A . 13 LYS N 1 1 5 1429 1 1 13 LYS NZ N -3.761 4.030 -6.381 1.00 . A A . 13 LYS NZ 1 1 5 1430 1 1 13 LYS O O -4.123 -0.767 -4.688 1.00 . A A . 13 LYS O 1 1 5 1431 1 1 14 PRO C C -1.747 0.515 -5.838 1.00 . A A . 14 PRO C 1 1 5 1432 1 1 14 PRO CA C -2.331 -0.568 -6.779 1.00 . A A . 14 PRO CA 1 1 5 1433 1 1 14 PRO CB C -1.851 -0.351 -8.225 1.00 . A A . 14 PRO CB 1 1 5 1434 1 1 14 PRO CD C -4.241 -0.435 -8.281 1.00 . A A . 14 PRO CD 1 1 5 1435 1 1 14 PRO CG C -3.048 0.145 -8.974 1.00 . A A . 14 PRO CG 1 1 5 1436 1 1 14 PRO HA H -2.032 -1.541 -6.426 1.00 . A A . 14 PRO HA 1 1 5 1437 1 1 14 PRO HB2 H -1.048 0.372 -8.233 1.00 . A A . 14 PRO HB2 1 1 5 1438 1 1 14 PRO HB3 H -1.521 -1.286 -8.654 1.00 . A A . 14 PRO HB3 1 1 5 1439 1 1 14 PRO HD2 H -5.107 0.190 -8.434 1.00 . A A . 14 PRO HD2 1 1 5 1440 1 1 14 PRO HD3 H -4.438 -1.430 -8.652 1.00 . A A . 14 PRO HD3 1 1 5 1441 1 1 14 PRO HG2 H -3.074 1.224 -8.942 1.00 . A A . 14 PRO HG2 1 1 5 1442 1 1 14 PRO HG3 H -3.020 -0.202 -9.997 1.00 . A A . 14 PRO HG3 1 1 5 1443 1 1 14 PRO N N -3.798 -0.479 -6.875 1.00 . A A . 14 PRO N 1 1 5 1444 1 1 14 PRO O O -2.229 1.676 -5.831 1.00 . A A . 14 PRO O 1 1 5 1445 1 1 15 CYS C C 0.578 2.173 -4.722 1.00 . A A . 15 CYS C 1 1 5 1446 1 1 15 CYS CA C -0.116 1.019 -4.076 1.00 . A A . 15 CYS CA 1 1 5 1447 1 1 15 CYS CB C 0.887 0.286 -3.234 1.00 . A A . 15 CYS CB 1 1 5 1448 1 1 15 CYS H H -0.335 -0.759 -5.128 1.00 . A A . 15 CYS H 1 1 5 1449 1 1 15 CYS HA H -0.893 1.388 -3.425 1.00 . A A . 15 CYS HA 1 1 5 1450 1 1 15 CYS HB2 H 1.367 -0.314 -3.985 1.00 . A A . 15 CYS HB2 1 1 5 1451 1 1 15 CYS HB3 H 1.679 0.871 -2.800 1.00 . A A . 15 CYS HB3 1 1 5 1452 1 1 15 CYS N N -0.735 0.135 -5.054 1.00 . A A . 15 CYS N 1 1 5 1453 1 1 15 CYS O O 1.515 2.020 -5.522 1.00 . A A . 15 CYS O 1 1 5 1454 1 1 15 CYS SG S 0.259 -0.870 -2.005 1.00 . A A . 15 CYS SG 1 1 5 1455 1 1 16 PHE C C 0.333 5.552 -3.661 1.00 . A A . 16 PHE C 1 1 5 1456 1 1 16 PHE CA C 0.626 4.585 -4.778 1.00 . A A . 16 PHE CA 1 1 5 1457 1 1 16 PHE CB C -0.024 5.098 -6.089 1.00 . A A . 16 PHE CB 1 1 5 1458 1 1 16 PHE CD1 C 1.609 4.615 -7.933 1.00 . A A . 16 PHE CD1 1 1 5 1459 1 1 16 PHE CD2 C -0.475 3.463 -7.948 1.00 . A A . 16 PHE CD2 1 1 5 1460 1 1 16 PHE CE1 C 1.981 3.965 -9.093 1.00 . A A . 16 PHE CE1 1 1 5 1461 1 1 16 PHE CE2 C -0.108 2.808 -9.107 1.00 . A A . 16 PHE CE2 1 1 5 1462 1 1 16 PHE CG C 0.378 4.371 -7.346 1.00 . A A . 16 PHE CG 1 1 5 1463 1 1 16 PHE CZ C 1.121 3.059 -9.680 1.00 . A A . 16 PHE CZ 1 1 5 1464 1 1 16 PHE H H -0.625 3.214 -3.721 1.00 . A A . 16 PHE H 1 1 5 1465 1 1 16 PHE HA H 1.695 4.499 -4.901 1.00 . A A . 16 PHE HA 1 1 5 1466 1 1 16 PHE HB2 H -1.096 5.016 -6.001 1.00 . A A . 16 PHE HB2 1 1 5 1467 1 1 16 PHE HB3 H 0.228 6.142 -6.212 1.00 . A A . 16 PHE HB3 1 1 5 1468 1 1 16 PHE HD1 H 2.284 5.321 -7.472 1.00 . A A . 16 PHE HD1 1 1 5 1469 1 1 16 PHE HD2 H -1.438 3.263 -7.502 1.00 . A A . 16 PHE HD2 1 1 5 1470 1 1 16 PHE HE1 H 2.944 4.165 -9.539 1.00 . A A . 16 PHE HE1 1 1 5 1471 1 1 16 PHE HE2 H -0.783 2.101 -9.565 1.00 . A A . 16 PHE HE2 1 1 5 1472 1 1 16 PHE HZ H 1.410 2.550 -10.587 1.00 . A A . 16 PHE HZ 1 1 5 1473 1 1 16 PHE N N 0.112 3.290 -4.367 1.00 . A A . 16 PHE N 1 1 5 1474 1 1 16 PHE O O -0.183 5.142 -2.630 1.00 . A A . 16 PHE O 1 1 5 1475 1 1 17 VAL C C -1.056 8.437 -3.134 1.00 . A A . 17 VAL C 1 1 5 1476 1 1 17 VAL CA C 0.322 7.854 -2.861 1.00 . A A . 17 VAL CA 1 1 5 1477 1 1 17 VAL CB C 1.396 8.976 -2.808 1.00 . A A . 17 VAL CB 1 1 5 1478 1 1 17 VAL CG1 C 2.743 8.408 -2.381 1.00 . A A . 17 VAL CG1 1 1 5 1479 1 1 17 VAL CG2 C 1.523 9.683 -4.158 1.00 . A A . 17 VAL CG2 1 1 5 1480 1 1 17 VAL H H 1.054 7.104 -4.701 1.00 . A A . 17 VAL H 1 1 5 1481 1 1 17 VAL HA H 0.269 7.345 -1.914 1.00 . A A . 17 VAL HA 1 1 5 1482 1 1 17 VAL HB H 1.088 9.701 -2.067 1.00 . A A . 17 VAL HB 1 1 5 1483 1 1 17 VAL HG11 H 3.052 7.652 -3.087 1.00 . A A . 17 VAL HG11 1 1 5 1484 1 1 17 VAL HG12 H 2.655 7.967 -1.399 1.00 . A A . 17 VAL HG12 1 1 5 1485 1 1 17 VAL HG13 H 3.477 9.199 -2.357 1.00 . A A . 17 VAL HG13 1 1 5 1486 1 1 17 VAL HG21 H 0.571 10.120 -4.425 1.00 . A A . 17 VAL HG21 1 1 5 1487 1 1 17 VAL HG22 H 1.814 8.969 -4.913 1.00 . A A . 17 VAL HG22 1 1 5 1488 1 1 17 VAL HG23 H 2.269 10.461 -4.091 1.00 . A A . 17 VAL HG23 1 1 5 1489 1 1 17 VAL N N 0.629 6.822 -3.865 1.00 . A A . 17 VAL N 1 1 5 1490 1 1 17 VAL O O -1.512 9.379 -2.496 1.00 . A A . 17 VAL O 1 1 5 1491 1 1 18 ARG C C -3.541 6.932 -5.204 1.00 . A A . 18 ARG C 1 1 5 1492 1 1 18 ARG CA C -2.988 8.151 -4.523 1.00 . A A . 18 ARG CA 1 1 5 1493 1 1 18 ARG CB C -3.004 9.375 -5.465 1.00 . A A . 18 ARG CB 1 1 5 1494 1 1 18 ARG CD C -5.456 10.034 -4.963 1.00 . A A . 18 ARG CD 1 1 5 1495 1 1 18 ARG CG C -4.392 9.747 -6.046 1.00 . A A . 18 ARG CG 1 1 5 1496 1 1 18 ARG CZ C -6.513 8.776 -3.065 1.00 . A A . 18 ARG CZ 1 1 5 1497 1 1 18 ARG H H -1.231 7.066 -4.477 1.00 . A A . 18 ARG H 1 1 5 1498 1 1 18 ARG HA H -3.591 8.358 -3.651 1.00 . A A . 18 ARG HA 1 1 5 1499 1 1 18 ARG HB2 H -2.633 10.230 -4.920 1.00 . A A . 18 ARG HB2 1 1 5 1500 1 1 18 ARG HB3 H -2.335 9.178 -6.291 1.00 . A A . 18 ARG HB3 1 1 5 1501 1 1 18 ARG HD2 H -5.065 10.772 -4.279 1.00 . A A . 18 ARG HD2 1 1 5 1502 1 1 18 ARG HD3 H -6.341 10.426 -5.442 1.00 . A A . 18 ARG HD3 1 1 5 1503 1 1 18 ARG HE H -5.463 7.976 -4.572 1.00 . A A . 18 ARG HE 1 1 5 1504 1 1 18 ARG HG2 H -4.286 10.629 -6.660 1.00 . A A . 18 ARG HG2 1 1 5 1505 1 1 18 ARG HG3 H -4.732 8.928 -6.662 1.00 . A A . 18 ARG HG3 1 1 5 1506 1 1 18 ARG HH11 H -6.925 10.770 -3.005 1.00 . A A . 18 ARG HH11 1 1 5 1507 1 1 18 ARG HH12 H -7.567 9.893 -1.690 1.00 . A A . 18 ARG HH12 1 1 5 1508 1 1 18 ARG HH21 H -6.251 6.785 -2.867 1.00 . A A . 18 ARG HH21 1 1 5 1509 1 1 18 ARG HH22 H -7.167 7.474 -1.596 1.00 . A A . 18 ARG HH22 1 1 5 1510 1 1 18 ARG N N -1.687 7.829 -4.073 1.00 . A A . 18 ARG N 1 1 5 1511 1 1 18 ARG NE N -5.823 8.823 -4.197 1.00 . A A . 18 ARG NE 1 1 5 1512 1 1 18 ARG NH1 N -7.045 9.889 -2.544 1.00 . A A . 18 ARG NH1 1 1 5 1513 1 1 18 ARG NH2 N -6.667 7.602 -2.454 1.00 . A A . 18 ARG NH2 1 1 5 1514 1 1 18 ARG O O -2.911 6.450 -6.151 1.00 . A A . 18 ARG O 1 1 5 1515 1 1 18 ARG OXT O -4.614 6.441 -4.791 1.00 . A A . 18 ARG OXT 1 1 6 1516 1 1 1 LEU C C 8.385 5.569 -4.340 1.00 . A A . 1 LEU C 1 1 6 1517 1 1 1 LEU CA C 8.889 6.676 -3.438 1.00 . A A . 1 LEU CA 1 1 6 1518 1 1 1 LEU CB C 9.109 6.174 -1.987 1.00 . A A . 1 LEU CB 1 1 6 1519 1 1 1 LEU CD1 C 11.587 5.698 -2.115 1.00 . A A . 1 LEU CD1 1 1 6 1520 1 1 1 LEU CD2 C 10.200 4.651 -0.312 1.00 . A A . 1 LEU CD2 1 1 6 1521 1 1 1 LEU CG C 10.218 5.133 -1.754 1.00 . A A . 1 LEU CG 1 1 6 1522 1 1 1 LEU H1 H 8.070 8.426 -2.700 1.00 . A A . 1 LEU H1 1 1 6 1523 1 1 1 LEU HA H 9.806 7.079 -3.843 1.00 . A A . 1 LEU HA 1 1 6 1524 1 1 1 LEU HB2 H 9.334 7.034 -1.374 1.00 . A A . 1 LEU HB2 1 1 6 1525 1 1 1 LEU HB3 H 8.177 5.755 -1.636 1.00 . A A . 1 LEU HB3 1 1 6 1526 1 1 1 LEU HD11 H 12.343 4.949 -1.930 1.00 . A A . 1 LEU HD11 1 1 6 1527 1 1 1 LEU HD12 H 11.789 6.571 -1.511 1.00 . A A . 1 LEU HD12 1 1 6 1528 1 1 1 LEU HD13 H 11.602 5.971 -3.160 1.00 . A A . 1 LEU HD13 1 1 6 1529 1 1 1 LEU HD21 H 10.358 5.489 0.349 1.00 . A A . 1 LEU HD21 1 1 6 1530 1 1 1 LEU HD22 H 10.984 3.924 -0.166 1.00 . A A . 1 LEU HD22 1 1 6 1531 1 1 1 LEU HD23 H 9.244 4.197 -0.097 1.00 . A A . 1 LEU HD23 1 1 6 1532 1 1 1 LEU HG H 10.036 4.283 -2.396 1.00 . A A . 1 LEU HG 1 1 6 1533 1 1 1 LEU N N 7.877 7.721 -3.451 1.00 . A A . 1 LEU N 1 1 6 1534 1 1 1 LEU O O 7.250 5.637 -4.793 1.00 . A A . 1 LEU O 1 1 6 1535 1 1 2 VAL C C 8.611 2.243 -4.567 1.00 . A A . 2 VAL C 1 1 6 1536 1 1 2 VAL CA C 8.785 3.475 -5.438 1.00 . A A . 2 VAL CA 1 1 6 1537 1 1 2 VAL CB C 9.780 3.190 -6.609 1.00 . A A . 2 VAL CB 1 1 6 1538 1 1 2 VAL CG1 C 9.782 4.343 -7.602 1.00 . A A . 2 VAL CG1 1 1 6 1539 1 1 2 VAL CG2 C 11.200 2.942 -6.094 1.00 . A A . 2 VAL CG2 1 1 6 1540 1 1 2 VAL H H 10.109 4.550 -4.259 1.00 . A A . 2 VAL H 1 1 6 1541 1 1 2 VAL HA H 7.820 3.731 -5.853 1.00 . A A . 2 VAL HA 1 1 6 1542 1 1 2 VAL HB H 9.440 2.302 -7.122 1.00 . A A . 2 VAL HB 1 1 6 1543 1 1 2 VAL HG11 H 8.792 4.469 -8.012 1.00 . A A . 2 VAL HG11 1 1 6 1544 1 1 2 VAL HG12 H 10.479 4.133 -8.400 1.00 . A A . 2 VAL HG12 1 1 6 1545 1 1 2 VAL HG13 H 10.079 5.251 -7.095 1.00 . A A . 2 VAL HG13 1 1 6 1546 1 1 2 VAL HG21 H 11.546 3.817 -5.563 1.00 . A A . 2 VAL HG21 1 1 6 1547 1 1 2 VAL HG22 H 11.857 2.743 -6.927 1.00 . A A . 2 VAL HG22 1 1 6 1548 1 1 2 VAL HG23 H 11.198 2.094 -5.424 1.00 . A A . 2 VAL HG23 1 1 6 1549 1 1 2 VAL N N 9.201 4.585 -4.622 1.00 . A A . 2 VAL N 1 1 6 1550 1 1 2 VAL O O 9.416 2.000 -3.667 1.00 . A A . 2 VAL O 1 1 6 1551 1 1 3 ARG C C 6.219 -0.486 -4.823 1.00 . A A . 3 ARG C 1 1 6 1552 1 1 3 ARG CA C 7.250 0.311 -4.049 1.00 . A A . 3 ARG CA 1 1 6 1553 1 1 3 ARG CB C 6.746 0.653 -2.632 1.00 . A A . 3 ARG CB 1 1 6 1554 1 1 3 ARG CD C 6.099 -0.132 -0.328 1.00 . A A . 3 ARG CD 1 1 6 1555 1 1 3 ARG CG C 6.452 -0.550 -1.754 1.00 . A A . 3 ARG CG 1 1 6 1556 1 1 3 ARG CZ C 4.318 1.153 0.882 1.00 . A A . 3 ARG CZ 1 1 6 1557 1 1 3 ARG H H 6.892 1.777 -5.477 1.00 . A A . 3 ARG H 1 1 6 1558 1 1 3 ARG HA H 8.160 -0.268 -3.980 1.00 . A A . 3 ARG HA 1 1 6 1559 1 1 3 ARG HB2 H 7.497 1.251 -2.135 1.00 . A A . 3 ARG HB2 1 1 6 1560 1 1 3 ARG HB3 H 5.843 1.239 -2.722 1.00 . A A . 3 ARG HB3 1 1 6 1561 1 1 3 ARG HD2 H 5.875 -1.019 0.244 1.00 . A A . 3 ARG HD2 1 1 6 1562 1 1 3 ARG HD3 H 6.954 0.363 0.107 1.00 . A A . 3 ARG HD3 1 1 6 1563 1 1 3 ARG HE H 4.636 1.115 -1.134 1.00 . A A . 3 ARG HE 1 1 6 1564 1 1 3 ARG HG2 H 5.618 -1.093 -2.175 1.00 . A A . 3 ARG HG2 1 1 6 1565 1 1 3 ARG HG3 H 7.322 -1.188 -1.730 1.00 . A A . 3 ARG HG3 1 1 6 1566 1 1 3 ARG HH11 H 5.433 -0.060 2.087 1.00 . A A . 3 ARG HH11 1 1 6 1567 1 1 3 ARG HH12 H 4.274 0.859 2.926 1.00 . A A . 3 ARG HH12 1 1 6 1568 1 1 3 ARG HH21 H 2.993 2.480 0.008 1.00 . A A . 3 ARG HH21 1 1 6 1569 1 1 3 ARG HH22 H 2.843 2.346 1.682 1.00 . A A . 3 ARG HH22 1 1 6 1570 1 1 3 ARG N N 7.542 1.516 -4.789 1.00 . A A . 3 ARG N 1 1 6 1571 1 1 3 ARG NE N 4.931 0.778 -0.258 1.00 . A A . 3 ARG NE 1 1 6 1572 1 1 3 ARG NH1 N 4.697 0.619 2.050 1.00 . A A . 3 ARG NH1 1 1 6 1573 1 1 3 ARG NH2 N 3.324 2.047 0.856 1.00 . A A . 3 ARG NH2 1 1 6 1574 1 1 3 ARG O O 5.162 0.035 -5.158 1.00 . A A . 3 ARG O 1 1 6 1575 1 1 4 GLY C C 4.656 -3.283 -5.073 1.00 . A A . 4 GLY C 1 1 6 1576 1 1 4 GLY CA C 5.659 -2.539 -5.919 1.00 . A A . 4 GLY CA 1 1 6 1577 1 1 4 GLY H H 7.393 -2.094 -4.824 1.00 . A A . 4 GLY H 1 1 6 1578 1 1 4 GLY HA2 H 5.127 -1.909 -6.617 1.00 . A A . 4 GLY HA2 1 1 6 1579 1 1 4 GLY HA3 H 6.248 -3.254 -6.473 1.00 . A A . 4 GLY HA3 1 1 6 1580 1 1 4 GLY N N 6.544 -1.717 -5.133 1.00 . A A . 4 GLY N 1 1 6 1581 1 1 4 GLY O O 4.919 -4.390 -4.623 1.00 . A A . 4 GLY O 1 1 6 1582 1 1 5 CYS C C 1.133 -2.806 -4.614 1.00 . A A . 5 CYS C 1 1 6 1583 1 1 5 CYS CA C 2.472 -3.269 -4.095 1.00 . A A . 5 CYS CA 1 1 6 1584 1 1 5 CYS CB C 2.620 -3.063 -2.580 1.00 . A A . 5 CYS CB 1 1 6 1585 1 1 5 CYS H H 3.396 -1.730 -5.096 1.00 . A A . 5 CYS H 1 1 6 1586 1 1 5 CYS HA H 2.479 -4.332 -4.298 1.00 . A A . 5 CYS HA 1 1 6 1587 1 1 5 CYS HB2 H 1.641 -3.240 -2.169 1.00 . A A . 5 CYS HB2 1 1 6 1588 1 1 5 CYS HB3 H 3.320 -3.781 -2.178 1.00 . A A . 5 CYS HB3 1 1 6 1589 1 1 5 CYS N N 3.541 -2.660 -4.819 1.00 . A A . 5 CYS N 1 1 6 1590 1 1 5 CYS O O 1.040 -1.832 -5.378 1.00 . A A . 5 CYS O 1 1 6 1591 1 1 5 CYS SG S 3.099 -1.381 -1.992 1.00 . A A . 5 CYS SG 1 1 6 1592 1 1 6 TRP C C -2.179 -3.649 -3.594 1.00 . A A . 6 TRP C 1 1 6 1593 1 1 6 TRP CA C -1.199 -3.237 -4.688 1.00 . A A . 6 TRP CA 1 1 6 1594 1 1 6 TRP CB C -1.335 -3.950 -6.056 1.00 . A A . 6 TRP CB 1 1 6 1595 1 1 6 TRP CD1 C -2.678 -6.095 -5.968 1.00 . A A . 6 TRP CD1 1 1 6 1596 1 1 6 TRP CD2 C -3.684 -4.414 -7.022 1.00 . A A . 6 TRP CD2 1 1 6 1597 1 1 6 TRP CE2 C -4.531 -5.525 -7.073 1.00 . A A . 6 TRP CE2 1 1 6 1598 1 1 6 TRP CE3 C -4.086 -3.234 -7.612 1.00 . A A . 6 TRP CE3 1 1 6 1599 1 1 6 TRP CG C -2.525 -4.792 -6.308 1.00 . A A . 6 TRP CG 1 1 6 1600 1 1 6 TRP CH2 C -6.138 -4.289 -8.281 1.00 . A A . 6 TRP CH2 1 1 6 1601 1 1 6 TRP CZ2 C -5.767 -5.482 -7.708 1.00 . A A . 6 TRP CZ2 1 1 6 1602 1 1 6 TRP CZ3 C -5.298 -3.172 -8.232 1.00 . A A . 6 TRP CZ3 1 1 6 1603 1 1 6 TRP H H 0.209 -4.237 -3.592 1.00 . A A . 6 TRP H 1 1 6 1604 1 1 6 TRP HA H -1.277 -2.170 -4.827 1.00 . A A . 6 TRP HA 1 1 6 1605 1 1 6 TRP HB2 H -1.327 -3.193 -6.827 1.00 . A A . 6 TRP HB2 1 1 6 1606 1 1 6 TRP HB3 H -0.455 -4.561 -6.193 1.00 . A A . 6 TRP HB3 1 1 6 1607 1 1 6 TRP HD1 H -1.920 -6.637 -5.417 1.00 . A A . 6 TRP HD1 1 1 6 1608 1 1 6 TRP HE1 H -4.256 -7.453 -6.306 1.00 . A A . 6 TRP HE1 1 1 6 1609 1 1 6 TRP HE3 H -3.455 -2.359 -7.586 1.00 . A A . 6 TRP HE3 1 1 6 1610 1 1 6 TRP HH2 H -7.090 -4.200 -8.783 1.00 . A A . 6 TRP HH2 1 1 6 1611 1 1 6 TRP HZ2 H -6.422 -6.340 -7.751 1.00 . A A . 6 TRP HZ2 1 1 6 1612 1 1 6 TRP HZ3 H -5.596 -2.222 -8.660 1.00 . A A . 6 TRP HZ3 1 1 6 1613 1 1 6 TRP N N 0.112 -3.495 -4.225 1.00 . A A . 6 TRP N 1 1 6 1614 1 1 6 TRP NE1 N -3.894 -6.551 -6.421 1.00 . A A . 6 TRP NE1 1 1 6 1615 1 1 6 TRP O O -1.952 -4.654 -2.911 1.00 . A A . 6 TRP O 1 1 6 1616 1 1 7 THR C C -5.209 -4.023 -2.638 1.00 . A A . 7 THR C 1 1 6 1617 1 1 7 THR CA C -4.087 -3.087 -2.257 1.00 . A A . 7 THR CA 1 1 6 1618 1 1 7 THR CB C -4.659 -1.748 -1.613 1.00 . A A . 7 THR CB 1 1 6 1619 1 1 7 THR CG2 C -3.533 -0.745 -1.382 1.00 . A A . 7 THR CG2 1 1 6 1620 1 1 7 THR H H -3.460 -2.128 -3.989 1.00 . A A . 7 THR H 1 1 6 1621 1 1 7 THR HA H -3.490 -3.587 -1.508 1.00 . A A . 7 THR HA 1 1 6 1622 1 1 7 THR HB H -5.103 -1.984 -0.657 1.00 . A A . 7 THR HB 1 1 6 1623 1 1 7 THR HG1 H -6.435 -1.680 -2.419 1.00 . A A . 7 THR HG1 1 1 6 1624 1 1 7 THR HG21 H -3.092 -0.495 -2.336 1.00 . A A . 7 THR HG21 1 1 6 1625 1 1 7 THR HG22 H -2.781 -1.160 -0.728 1.00 . A A . 7 THR HG22 1 1 6 1626 1 1 7 THR HG23 H -3.945 0.157 -0.953 1.00 . A A . 7 THR HG23 1 1 6 1627 1 1 7 THR N N -3.216 -2.855 -3.374 1.00 . A A . 7 THR N 1 1 6 1628 1 1 7 THR O O -6.038 -3.711 -3.518 1.00 . A A . 7 THR O 1 1 6 1629 1 1 7 THR OG1 O -5.653 -1.105 -2.451 1.00 . A A . 7 THR OG1 1 1 6 1630 1 1 8 LYS C C -7.421 -5.657 -1.326 1.00 . A A . 8 LYS C 1 1 6 1631 1 1 8 LYS CA C -6.265 -6.115 -2.203 1.00 . A A . 8 LYS CA 1 1 6 1632 1 1 8 LYS CB C -5.798 -7.563 -1.886 1.00 . A A . 8 LYS CB 1 1 6 1633 1 1 8 LYS CD C -4.689 -9.188 -0.261 1.00 . A A . 8 LYS CD 1 1 6 1634 1 1 8 LYS CE C -3.603 -9.635 -1.235 1.00 . A A . 8 LYS CE 1 1 6 1635 1 1 8 LYS CG C -5.133 -7.746 -0.513 1.00 . A A . 8 LYS CG 1 1 6 1636 1 1 8 LYS H H -4.455 -5.389 -1.433 1.00 . A A . 8 LYS H 1 1 6 1637 1 1 8 LYS HA H -6.580 -6.049 -3.235 1.00 . A A . 8 LYS HA 1 1 6 1638 1 1 8 LYS HB2 H -6.655 -8.218 -1.932 1.00 . A A . 8 LYS HB2 1 1 6 1639 1 1 8 LYS HB3 H -5.093 -7.861 -2.647 1.00 . A A . 8 LYS HB3 1 1 6 1640 1 1 8 LYS HD2 H -4.303 -9.264 0.744 1.00 . A A . 8 LYS HD2 1 1 6 1641 1 1 8 LYS HD3 H -5.546 -9.837 -0.366 1.00 . A A . 8 LYS HD3 1 1 6 1642 1 1 8 LYS HE2 H -3.997 -9.604 -2.240 1.00 . A A . 8 LYS HE2 1 1 6 1643 1 1 8 LYS HE3 H -2.763 -8.962 -1.156 1.00 . A A . 8 LYS HE3 1 1 6 1644 1 1 8 LYS HG2 H -4.265 -7.106 -0.459 1.00 . A A . 8 LYS HG2 1 1 6 1645 1 1 8 LYS HG3 H -5.837 -7.453 0.252 1.00 . A A . 8 LYS HG3 1 1 6 1646 1 1 8 LYS HZ1 H -2.402 -11.304 -1.624 1.00 . A A . 8 LYS HZ1 1 1 6 1647 1 1 8 LYS HZ2 H -3.939 -11.688 -1.023 1.00 . A A . 8 LYS HZ2 1 1 6 1648 1 1 8 LYS HZ3 H -2.753 -11.077 0.014 1.00 . A A . 8 LYS HZ3 1 1 6 1649 1 1 8 LYS N N -5.200 -5.182 -2.030 1.00 . A A . 8 LYS N 1 1 6 1650 1 1 8 LYS NZ N -3.143 -11.023 -0.949 1.00 . A A . 8 LYS NZ 1 1 6 1651 1 1 8 LYS O O -7.389 -5.779 -0.102 1.00 . A A . 8 LYS O 1 1 6 1652 1 1 9 SER C C -10.660 -4.450 -2.252 1.00 . A A . 9 SER C 1 1 6 1653 1 1 9 SER CA C -9.497 -4.496 -1.288 1.00 . A A . 9 SER CA 1 1 6 1654 1 1 9 SER CB C -9.076 -3.071 -0.836 1.00 . A A . 9 SER CB 1 1 6 1655 1 1 9 SER H H -8.397 -5.051 -2.932 1.00 . A A . 9 SER H 1 1 6 1656 1 1 9 SER HA H -9.750 -5.080 -0.417 1.00 . A A . 9 SER HA 1 1 6 1657 1 1 9 SER HB2 H -9.950 -2.527 -0.509 1.00 . A A . 9 SER HB2 1 1 6 1658 1 1 9 SER HB3 H -8.375 -3.148 -0.018 1.00 . A A . 9 SER HB3 1 1 6 1659 1 1 9 SER HG H -9.142 -1.985 -2.495 1.00 . A A . 9 SER HG 1 1 6 1660 1 1 9 SER N N -8.391 -5.092 -1.954 1.00 . A A . 9 SER N 1 1 6 1661 1 1 9 SER O O -10.599 -5.061 -3.321 1.00 . A A . 9 SER O 1 1 6 1662 1 1 9 SER OG O -8.450 -2.333 -1.912 1.00 . A A . 9 SER OG 1 1 6 1663 1 1 10 TYR C C -13.250 -2.111 -2.653 1.00 . A A . 10 TYR C 1 1 6 1664 1 1 10 TYR CA C -12.815 -3.567 -2.767 1.00 . A A . 10 TYR CA 1 1 6 1665 1 1 10 TYR CB C -13.971 -4.524 -2.425 1.00 . A A . 10 TYR CB 1 1 6 1666 1 1 10 TYR CD1 C -15.127 -4.967 -4.629 1.00 . A A . 10 TYR CD1 1 1 6 1667 1 1 10 TYR CD2 C -16.317 -3.735 -2.970 1.00 . A A . 10 TYR CD2 1 1 6 1668 1 1 10 TYR CE1 C -16.204 -4.860 -5.485 1.00 . A A . 10 TYR CE1 1 1 6 1669 1 1 10 TYR CE2 C -17.399 -3.624 -3.821 1.00 . A A . 10 TYR CE2 1 1 6 1670 1 1 10 TYR CG C -15.162 -4.409 -3.358 1.00 . A A . 10 TYR CG 1 1 6 1671 1 1 10 TYR CZ C -17.337 -4.188 -5.077 1.00 . A A . 10 TYR CZ 1 1 6 1672 1 1 10 TYR H H -11.756 -3.342 -1.005 1.00 . A A . 10 TYR H 1 1 6 1673 1 1 10 TYR HA H -12.461 -3.760 -3.773 1.00 . A A . 10 TYR HA 1 1 6 1674 1 1 10 TYR HB2 H -13.613 -5.542 -2.473 1.00 . A A . 10 TYR HB2 1 1 6 1675 1 1 10 TYR HB3 H -14.310 -4.316 -1.421 1.00 . A A . 10 TYR HB3 1 1 6 1676 1 1 10 TYR HD1 H -14.238 -5.493 -4.945 1.00 . A A . 10 TYR HD1 1 1 6 1677 1 1 10 TYR HD2 H -16.362 -3.294 -1.985 1.00 . A A . 10 TYR HD2 1 1 6 1678 1 1 10 TYR HE1 H -16.158 -5.302 -6.470 1.00 . A A . 10 TYR HE1 1 1 6 1679 1 1 10 TYR HE2 H -18.286 -3.097 -3.502 1.00 . A A . 10 TYR HE2 1 1 6 1680 1 1 10 TYR HH H -18.762 -3.186 -5.898 1.00 . A A . 10 TYR HH 1 1 6 1681 1 1 10 TYR N N -11.705 -3.761 -1.889 1.00 . A A . 10 TYR N 1 1 6 1682 1 1 10 TYR O O -13.760 -1.699 -1.621 1.00 . A A . 10 TYR O 1 1 6 1683 1 1 10 TYR OH O -18.410 -4.079 -5.930 1.00 . A A . 10 TYR OH 1 1 6 1684 1 1 11 PRO C C -10.793 -1.930 -4.703 1.00 . A A . 11 PRO C 1 1 6 1685 1 1 11 PRO CA C -12.310 -1.743 -4.891 1.00 . A A . 11 PRO CA 1 1 6 1686 1 1 11 PRO CB C -12.576 -0.633 -5.905 1.00 . A A . 11 PRO CB 1 1 6 1687 1 1 11 PRO CD C -13.354 0.109 -3.766 1.00 . A A . 11 PRO CD 1 1 6 1688 1 1 11 PRO CG C -13.537 0.303 -5.243 1.00 . A A . 11 PRO CG 1 1 6 1689 1 1 11 PRO HA H -12.755 -2.657 -5.253 1.00 . A A . 11 PRO HA 1 1 6 1690 1 1 11 PRO HB2 H -11.635 -0.172 -6.167 1.00 . A A . 11 PRO HB2 1 1 6 1691 1 1 11 PRO HB3 H -13.027 -1.111 -6.761 1.00 . A A . 11 PRO HB3 1 1 6 1692 1 1 11 PRO HD2 H -12.558 0.736 -3.394 1.00 . A A . 11 PRO HD2 1 1 6 1693 1 1 11 PRO HD3 H -14.275 0.301 -3.236 1.00 . A A . 11 PRO HD3 1 1 6 1694 1 1 11 PRO HG2 H -13.310 1.320 -5.529 1.00 . A A . 11 PRO HG2 1 1 6 1695 1 1 11 PRO HG3 H -14.551 0.052 -5.516 1.00 . A A . 11 PRO HG3 1 1 6 1696 1 1 11 PRO N N -12.991 -1.300 -3.685 1.00 . A A . 11 PRO N 1 1 6 1697 1 1 11 PRO O O -10.164 -1.291 -3.842 1.00 . A A . 11 PRO O 1 1 6 1698 1 1 12 PRO C C -8.031 -2.071 -6.268 1.00 . A A . 12 PRO C 1 1 6 1699 1 1 12 PRO CA C -8.789 -3.117 -5.437 1.00 . A A . 12 PRO CA 1 1 6 1700 1 1 12 PRO CB C -8.687 -4.518 -6.041 1.00 . A A . 12 PRO CB 1 1 6 1701 1 1 12 PRO CD C -10.930 -3.695 -6.423 1.00 . A A . 12 PRO CD 1 1 6 1702 1 1 12 PRO CG C -9.895 -4.679 -6.910 1.00 . A A . 12 PRO CG 1 1 6 1703 1 1 12 PRO HA H -8.410 -3.107 -4.425 1.00 . A A . 12 PRO HA 1 1 6 1704 1 1 12 PRO HB2 H -7.772 -4.599 -6.612 1.00 . A A . 12 PRO HB2 1 1 6 1705 1 1 12 PRO HB3 H -8.708 -5.262 -5.259 1.00 . A A . 12 PRO HB3 1 1 6 1706 1 1 12 PRO HD2 H -11.317 -3.079 -7.217 1.00 . A A . 12 PRO HD2 1 1 6 1707 1 1 12 PRO HD3 H -11.775 -4.161 -5.946 1.00 . A A . 12 PRO HD3 1 1 6 1708 1 1 12 PRO HG2 H -9.629 -4.470 -7.936 1.00 . A A . 12 PRO HG2 1 1 6 1709 1 1 12 PRO HG3 H -10.283 -5.683 -6.822 1.00 . A A . 12 PRO HG3 1 1 6 1710 1 1 12 PRO N N -10.217 -2.847 -5.463 1.00 . A A . 12 PRO N 1 1 6 1711 1 1 12 PRO O O -8.441 -1.728 -7.379 1.00 . A A . 12 PRO O 1 1 6 1712 1 1 13 LYS C C -4.752 -0.531 -5.943 1.00 . A A . 13 LYS C 1 1 6 1713 1 1 13 LYS CA C -6.252 -0.441 -6.339 1.00 . A A . 13 LYS CA 1 1 6 1714 1 1 13 LYS CB C -6.966 0.813 -5.785 1.00 . A A . 13 LYS CB 1 1 6 1715 1 1 13 LYS CD C -5.256 2.716 -5.735 1.00 . A A . 13 LYS CD 1 1 6 1716 1 1 13 LYS CE C -5.289 2.945 -4.196 1.00 . A A . 13 LYS CE 1 1 6 1717 1 1 13 LYS CG C -6.569 2.191 -6.302 1.00 . A A . 13 LYS CG 1 1 6 1718 1 1 13 LYS H H -6.585 -1.943 -4.900 1.00 . A A . 13 LYS H 1 1 6 1719 1 1 13 LYS HA H -6.369 -0.485 -7.411 1.00 . A A . 13 LYS HA 1 1 6 1720 1 1 13 LYS HB2 H -8.027 0.697 -5.949 1.00 . A A . 13 LYS HB2 1 1 6 1721 1 1 13 LYS HB3 H -6.782 0.765 -4.725 1.00 . A A . 13 LYS HB3 1 1 6 1722 1 1 13 LYS HD2 H -4.524 1.952 -5.962 1.00 . A A . 13 LYS HD2 1 1 6 1723 1 1 13 LYS HD3 H -4.993 3.634 -6.240 1.00 . A A . 13 LYS HD3 1 1 6 1724 1 1 13 LYS HE2 H -4.499 3.634 -3.934 1.00 . A A . 13 LYS HE2 1 1 6 1725 1 1 13 LYS HE3 H -6.240 3.390 -3.938 1.00 . A A . 13 LYS HE3 1 1 6 1726 1 1 13 LYS HG2 H -6.485 2.149 -7.377 1.00 . A A . 13 LYS HG2 1 1 6 1727 1 1 13 LYS HG3 H -7.361 2.878 -6.043 1.00 . A A . 13 LYS HG3 1 1 6 1728 1 1 13 LYS HZ1 H -4.973 1.907 -2.383 1.00 . A A . 13 LYS HZ1 1 1 6 1729 1 1 13 LYS HZ2 H -4.219 1.234 -3.710 1.00 . A A . 13 LYS HZ2 1 1 6 1730 1 1 13 LYS HZ3 H -5.862 0.982 -3.459 1.00 . A A . 13 LYS HZ3 1 1 6 1731 1 1 13 LYS N N -6.952 -1.554 -5.724 1.00 . A A . 13 LYS N 1 1 6 1732 1 1 13 LYS NZ N -5.102 1.688 -3.389 1.00 . A A . 13 LYS NZ 1 1 6 1733 1 1 13 LYS O O -4.465 -0.969 -4.857 1.00 . A A . 13 LYS O 1 1 6 1734 1 1 14 PRO C C -1.921 0.528 -5.192 1.00 . A A . 14 PRO C 1 1 6 1735 1 1 14 PRO CA C -2.316 -0.244 -6.481 1.00 . A A . 14 PRO CA 1 1 6 1736 1 1 14 PRO CB C -1.627 0.356 -7.714 1.00 . A A . 14 PRO CB 1 1 6 1737 1 1 14 PRO CD C -3.976 0.395 -8.166 1.00 . A A . 14 PRO CD 1 1 6 1738 1 1 14 PRO CG C -2.693 1.136 -8.414 1.00 . A A . 14 PRO CG 1 1 6 1739 1 1 14 PRO HA H -2.035 -1.280 -6.368 1.00 . A A . 14 PRO HA 1 1 6 1740 1 1 14 PRO HB2 H -0.799 0.971 -7.395 1.00 . A A . 14 PRO HB2 1 1 6 1741 1 1 14 PRO HB3 H -1.276 -0.433 -8.361 1.00 . A A . 14 PRO HB3 1 1 6 1742 1 1 14 PRO HD2 H -4.817 1.070 -8.201 1.00 . A A . 14 PRO HD2 1 1 6 1743 1 1 14 PRO HD3 H -4.098 -0.404 -8.882 1.00 . A A . 14 PRO HD3 1 1 6 1744 1 1 14 PRO HG2 H -2.740 2.134 -8.003 1.00 . A A . 14 PRO HG2 1 1 6 1745 1 1 14 PRO HG3 H -2.496 1.171 -9.475 1.00 . A A . 14 PRO HG3 1 1 6 1746 1 1 14 PRO N N -3.775 -0.142 -6.809 1.00 . A A . 14 PRO N 1 1 6 1747 1 1 14 PRO O O -2.731 1.274 -4.628 1.00 . A A . 14 PRO O 1 1 6 1748 1 1 15 CYS C C 0.317 2.339 -3.880 1.00 . A A . 15 CYS C 1 1 6 1749 1 1 15 CYS CA C -0.345 1.036 -3.509 1.00 . A A . 15 CYS CA 1 1 6 1750 1 1 15 CYS CB C 0.584 0.192 -2.617 1.00 . A A . 15 CYS CB 1 1 6 1751 1 1 15 CYS H H -0.034 -0.214 -5.116 1.00 . A A . 15 CYS H 1 1 6 1752 1 1 15 CYS HA H -1.250 1.257 -2.962 1.00 . A A . 15 CYS HA 1 1 6 1753 1 1 15 CYS HB2 H 0.685 0.677 -1.658 1.00 . A A . 15 CYS HB2 1 1 6 1754 1 1 15 CYS HB3 H 0.139 -0.781 -2.475 1.00 . A A . 15 CYS HB3 1 1 6 1755 1 1 15 CYS N N -0.723 0.345 -4.697 1.00 . A A . 15 CYS N 1 1 6 1756 1 1 15 CYS O O 0.485 2.652 -5.054 1.00 . A A . 15 CYS O 1 1 6 1757 1 1 15 CYS SG S 2.266 -0.057 -3.271 1.00 . A A . 15 CYS SG 1 1 6 1758 1 1 16 PHE C C 2.268 4.546 -1.896 1.00 . A A . 16 PHE C 1 1 6 1759 1 1 16 PHE CA C 1.315 4.348 -3.054 1.00 . A A . 16 PHE CA 1 1 6 1760 1 1 16 PHE CB C 0.292 5.511 -3.147 1.00 . A A . 16 PHE CB 1 1 6 1761 1 1 16 PHE CD1 C -1.862 4.930 -1.964 1.00 . A A . 16 PHE CD1 1 1 6 1762 1 1 16 PHE CD2 C -0.353 6.436 -0.887 1.00 . A A . 16 PHE CD2 1 1 6 1763 1 1 16 PHE CE1 C -2.734 5.038 -0.899 1.00 . A A . 16 PHE CE1 1 1 6 1764 1 1 16 PHE CE2 C -1.223 6.545 0.181 1.00 . A A . 16 PHE CE2 1 1 6 1765 1 1 16 PHE CG C -0.659 5.627 -1.972 1.00 . A A . 16 PHE CG 1 1 6 1766 1 1 16 PHE CZ C -2.414 5.845 0.175 1.00 . A A . 16 PHE CZ 1 1 6 1767 1 1 16 PHE H H 0.451 2.745 -1.998 1.00 . A A . 16 PHE H 1 1 6 1768 1 1 16 PHE HA H 1.888 4.304 -3.969 1.00 . A A . 16 PHE HA 1 1 6 1769 1 1 16 PHE HB2 H 0.829 6.444 -3.219 1.00 . A A . 16 PHE HB2 1 1 6 1770 1 1 16 PHE HB3 H -0.298 5.381 -4.043 1.00 . A A . 16 PHE HB3 1 1 6 1771 1 1 16 PHE HD1 H -2.112 4.297 -2.802 1.00 . A A . 16 PHE HD1 1 1 6 1772 1 1 16 PHE HD2 H 0.577 6.984 -0.880 1.00 . A A . 16 PHE HD2 1 1 6 1773 1 1 16 PHE HE1 H -3.665 4.490 -0.906 1.00 . A A . 16 PHE HE1 1 1 6 1774 1 1 16 PHE HE2 H -0.971 7.178 1.021 1.00 . A A . 16 PHE HE2 1 1 6 1775 1 1 16 PHE HZ H -3.095 5.930 1.009 1.00 . A A . 16 PHE HZ 1 1 6 1776 1 1 16 PHE N N 0.651 3.082 -2.892 1.00 . A A . 16 PHE N 1 1 6 1777 1 1 16 PHE O O 2.177 3.816 -0.886 1.00 . A A . 16 PHE O 1 1 6 1778 1 1 17 VAL C C 4.863 7.119 -1.369 1.00 . A A . 17 VAL C 1 1 6 1779 1 1 17 VAL CA C 4.150 5.807 -1.008 1.00 . A A . 17 VAL CA 1 1 6 1780 1 1 17 VAL CB C 5.172 4.636 -0.754 1.00 . A A . 17 VAL CB 1 1 6 1781 1 1 17 VAL CG1 C 5.903 4.224 -2.023 1.00 . A A . 17 VAL CG1 1 1 6 1782 1 1 17 VAL CG2 C 6.155 4.981 0.361 1.00 . A A . 17 VAL CG2 1 1 6 1783 1 1 17 VAL H H 3.238 5.985 -2.877 1.00 . A A . 17 VAL H 1 1 6 1784 1 1 17 VAL HA H 3.582 5.984 -0.105 1.00 . A A . 17 VAL HA 1 1 6 1785 1 1 17 VAL HB H 4.594 3.780 -0.436 1.00 . A A . 17 VAL HB 1 1 6 1786 1 1 17 VAL HG11 H 6.408 5.081 -2.444 1.00 . A A . 17 VAL HG11 1 1 6 1787 1 1 17 VAL HG12 H 5.193 3.838 -2.739 1.00 . A A . 17 VAL HG12 1 1 6 1788 1 1 17 VAL HG13 H 6.629 3.458 -1.788 1.00 . A A . 17 VAL HG13 1 1 6 1789 1 1 17 VAL HG21 H 6.702 5.874 0.094 1.00 . A A . 17 VAL HG21 1 1 6 1790 1 1 17 VAL HG22 H 6.846 4.163 0.500 1.00 . A A . 17 VAL HG22 1 1 6 1791 1 1 17 VAL HG23 H 5.614 5.154 1.280 1.00 . A A . 17 VAL HG23 1 1 6 1792 1 1 17 VAL N N 3.185 5.477 -2.038 1.00 . A A . 17 VAL N 1 1 6 1793 1 1 17 VAL O O 5.298 7.308 -2.517 1.00 . A A . 17 VAL O 1 1 6 1794 1 1 18 ARG C C 7.027 9.182 -0.364 1.00 . A A . 18 ARG C 1 1 6 1795 1 1 18 ARG CA C 5.535 9.323 -0.597 1.00 . A A . 18 ARG CA 1 1 6 1796 1 1 18 ARG CB C 4.917 10.315 0.433 1.00 . A A . 18 ARG CB 1 1 6 1797 1 1 18 ARG CD C 6.606 12.297 0.151 1.00 . A A . 18 ARG CD 1 1 6 1798 1 1 18 ARG CG C 5.134 11.845 0.204 1.00 . A A . 18 ARG CG 1 1 6 1799 1 1 18 ARG CZ C 8.207 12.381 2.082 1.00 . A A . 18 ARG CZ 1 1 6 1800 1 1 18 ARG H H 4.622 7.793 0.488 1.00 . A A . 18 ARG H 1 1 6 1801 1 1 18 ARG HA H 5.340 9.669 -1.600 1.00 . A A . 18 ARG HA 1 1 6 1802 1 1 18 ARG HB2 H 3.851 10.148 0.459 1.00 . A A . 18 ARG HB2 1 1 6 1803 1 1 18 ARG HB3 H 5.315 10.064 1.406 1.00 . A A . 18 ARG HB3 1 1 6 1804 1 1 18 ARG HD2 H 7.029 11.981 -0.791 1.00 . A A . 18 ARG HD2 1 1 6 1805 1 1 18 ARG HD3 H 6.638 13.375 0.210 1.00 . A A . 18 ARG HD3 1 1 6 1806 1 1 18 ARG HE H 7.377 10.732 1.259 1.00 . A A . 18 ARG HE 1 1 6 1807 1 1 18 ARG HG2 H 4.674 12.116 -0.735 1.00 . A A . 18 ARG HG2 1 1 6 1808 1 1 18 ARG HG3 H 4.631 12.377 0.998 1.00 . A A . 18 ARG HG3 1 1 6 1809 1 1 18 ARG HH11 H 7.673 14.246 1.452 1.00 . A A . 18 ARG HH11 1 1 6 1810 1 1 18 ARG HH12 H 8.832 14.245 2.706 1.00 . A A . 18 ARG HH12 1 1 6 1811 1 1 18 ARG HH21 H 8.918 10.679 2.899 1.00 . A A . 18 ARG HH21 1 1 6 1812 1 1 18 ARG HH22 H 9.593 12.086 3.592 1.00 . A A . 18 ARG HH22 1 1 6 1813 1 1 18 ARG N N 4.939 8.014 -0.412 1.00 . A A . 18 ARG N 1 1 6 1814 1 1 18 ARG NE N 7.417 11.729 1.242 1.00 . A A . 18 ARG NE 1 1 6 1815 1 1 18 ARG NH1 N 8.243 13.723 2.087 1.00 . A A . 18 ARG NH1 1 1 6 1816 1 1 18 ARG NH2 N 8.965 11.683 2.926 1.00 . A A . 18 ARG NH2 1 1 6 1817 1 1 18 ARG O O 7.775 9.129 -1.341 1.00 . A A . 18 ARG O 1 1 6 1818 1 1 18 ARG OXT O 7.434 9.128 0.809 1.00 . A A . 18 ARG OXT 1 1 7 1819 1 1 1 LEU C C 4.443 4.613 -8.648 1.00 . A A . 1 LEU C 1 1 7 1820 1 1 1 LEU CA C 4.889 5.980 -9.122 1.00 . A A . 1 LEU CA 1 1 7 1821 1 1 1 LEU CB C 6.344 5.911 -9.611 1.00 . A A . 1 LEU CB 1 1 7 1822 1 1 1 LEU CD1 C 8.416 7.018 -10.489 1.00 . A A . 1 LEU CD1 1 1 7 1823 1 1 1 LEU CD2 C 6.177 7.771 -11.304 1.00 . A A . 1 LEU CD2 1 1 7 1824 1 1 1 LEU CG C 6.959 7.225 -10.113 1.00 . A A . 1 LEU CG 1 1 7 1825 1 1 1 LEU H1 H 4.869 7.923 -8.300 1.00 . A A . 1 LEU H1 1 1 7 1826 1 1 1 LEU HA H 4.246 6.300 -9.928 1.00 . A A . 1 LEU HA 1 1 7 1827 1 1 1 LEU HB2 H 6.951 5.548 -8.795 1.00 . A A . 1 LEU HB2 1 1 7 1828 1 1 1 LEU HB3 H 6.392 5.190 -10.414 1.00 . A A . 1 LEU HB3 1 1 7 1829 1 1 1 LEU HD11 H 8.485 6.275 -11.270 1.00 . A A . 1 LEU HD11 1 1 7 1830 1 1 1 LEU HD12 H 8.967 6.681 -9.623 1.00 . A A . 1 LEU HD12 1 1 7 1831 1 1 1 LEU HD13 H 8.832 7.949 -10.841 1.00 . A A . 1 LEU HD13 1 1 7 1832 1 1 1 LEU HD21 H 6.639 8.686 -11.647 1.00 . A A . 1 LEU HD21 1 1 7 1833 1 1 1 LEU HD22 H 5.159 7.971 -11.009 1.00 . A A . 1 LEU HD22 1 1 7 1834 1 1 1 LEU HD23 H 6.184 7.045 -12.103 1.00 . A A . 1 LEU HD23 1 1 7 1835 1 1 1 LEU HG H 6.923 7.955 -9.317 1.00 . A A . 1 LEU HG 1 1 7 1836 1 1 1 LEU N N 4.767 6.932 -8.011 1.00 . A A . 1 LEU N 1 1 7 1837 1 1 1 LEU O O 4.320 4.391 -7.453 1.00 . A A . 1 LEU O 1 1 7 1838 1 1 2 VAL C C 4.819 1.357 -9.271 1.00 . A A . 2 VAL C 1 1 7 1839 1 1 2 VAL CA C 3.695 2.397 -9.233 1.00 . A A . 2 VAL CA 1 1 7 1840 1 1 2 VAL CB C 2.549 1.987 -10.223 1.00 . A A . 2 VAL CB 1 1 7 1841 1 1 2 VAL CG1 C 1.927 0.643 -9.853 1.00 . A A . 2 VAL CG1 1 1 7 1842 1 1 2 VAL CG2 C 1.473 3.065 -10.283 1.00 . A A . 2 VAL CG2 1 1 7 1843 1 1 2 VAL H H 4.421 3.875 -10.510 1.00 . A A . 2 VAL H 1 1 7 1844 1 1 2 VAL HA H 3.288 2.442 -8.234 1.00 . A A . 2 VAL HA 1 1 7 1845 1 1 2 VAL HB H 2.983 1.890 -11.208 1.00 . A A . 2 VAL HB 1 1 7 1846 1 1 2 VAL HG11 H 1.505 0.703 -8.861 1.00 . A A . 2 VAL HG11 1 1 7 1847 1 1 2 VAL HG12 H 2.687 -0.123 -9.872 1.00 . A A . 2 VAL HG12 1 1 7 1848 1 1 2 VAL HG13 H 1.150 0.397 -10.561 1.00 . A A . 2 VAL HG13 1 1 7 1849 1 1 2 VAL HG21 H 0.697 2.763 -10.971 1.00 . A A . 2 VAL HG21 1 1 7 1850 1 1 2 VAL HG22 H 1.912 3.993 -10.619 1.00 . A A . 2 VAL HG22 1 1 7 1851 1 1 2 VAL HG23 H 1.047 3.204 -9.300 1.00 . A A . 2 VAL HG23 1 1 7 1852 1 1 2 VAL N N 4.216 3.709 -9.567 1.00 . A A . 2 VAL N 1 1 7 1853 1 1 2 VAL O O 5.743 1.468 -10.064 1.00 . A A . 2 VAL O 1 1 7 1854 1 1 3 ARG C C 4.777 -1.924 -8.036 1.00 . A A . 3 ARG C 1 1 7 1855 1 1 3 ARG CA C 5.663 -0.724 -8.288 1.00 . A A . 3 ARG CA 1 1 7 1856 1 1 3 ARG CB C 6.698 -0.631 -7.126 1.00 . A A . 3 ARG CB 1 1 7 1857 1 1 3 ARG CD C 7.276 1.831 -7.015 1.00 . A A . 3 ARG CD 1 1 7 1858 1 1 3 ARG CG C 7.801 0.432 -7.232 1.00 . A A . 3 ARG CG 1 1 7 1859 1 1 3 ARG CZ C 8.159 4.106 -6.621 1.00 . A A . 3 ARG CZ 1 1 7 1860 1 1 3 ARG H H 4.042 0.429 -7.689 1.00 . A A . 3 ARG H 1 1 7 1861 1 1 3 ARG HA H 6.161 -0.831 -9.240 1.00 . A A . 3 ARG HA 1 1 7 1862 1 1 3 ARG HB2 H 6.155 -0.435 -6.215 1.00 . A A . 3 ARG HB2 1 1 7 1863 1 1 3 ARG HB3 H 7.163 -1.601 -7.030 1.00 . A A . 3 ARG HB3 1 1 7 1864 1 1 3 ARG HD2 H 6.592 2.072 -7.814 1.00 . A A . 3 ARG HD2 1 1 7 1865 1 1 3 ARG HD3 H 6.748 1.861 -6.074 1.00 . A A . 3 ARG HD3 1 1 7 1866 1 1 3 ARG HE H 9.234 2.502 -7.247 1.00 . A A . 3 ARG HE 1 1 7 1867 1 1 3 ARG HG2 H 8.554 0.229 -6.485 1.00 . A A . 3 ARG HG2 1 1 7 1868 1 1 3 ARG HG3 H 8.248 0.368 -8.213 1.00 . A A . 3 ARG HG3 1 1 7 1869 1 1 3 ARG HH11 H 6.122 3.961 -6.382 1.00 . A A . 3 ARG HH11 1 1 7 1870 1 1 3 ARG HH12 H 6.820 5.500 -6.094 1.00 . A A . 3 ARG HH12 1 1 7 1871 1 1 3 ARG HH21 H 10.121 4.727 -6.770 1.00 . A A . 3 ARG HH21 1 1 7 1872 1 1 3 ARG HH22 H 8.997 5.906 -6.235 1.00 . A A . 3 ARG HH22 1 1 7 1873 1 1 3 ARG N N 4.763 0.416 -8.351 1.00 . A A . 3 ARG N 1 1 7 1874 1 1 3 ARG NE N 8.346 2.836 -6.990 1.00 . A A . 3 ARG NE 1 1 7 1875 1 1 3 ARG NH1 N 6.949 4.528 -6.344 1.00 . A A . 3 ARG NH1 1 1 7 1876 1 1 3 ARG NH2 N 9.174 4.962 -6.551 1.00 . A A . 3 ARG NH2 1 1 7 1877 1 1 3 ARG O O 3.549 -1.779 -8.059 1.00 . A A . 3 ARG O 1 1 7 1878 1 1 4 GLY C C 4.040 -4.121 -6.008 1.00 . A A . 4 GLY C 1 1 7 1879 1 1 4 GLY CA C 4.543 -4.232 -7.435 1.00 . A A . 4 GLY CA 1 1 7 1880 1 1 4 GLY H H 6.331 -3.174 -7.795 1.00 . A A . 4 GLY H 1 1 7 1881 1 1 4 GLY HA2 H 3.701 -4.281 -8.110 1.00 . A A . 4 GLY HA2 1 1 7 1882 1 1 4 GLY HA3 H 5.133 -5.131 -7.529 1.00 . A A . 4 GLY HA3 1 1 7 1883 1 1 4 GLY N N 5.357 -3.082 -7.772 1.00 . A A . 4 GLY N 1 1 7 1884 1 1 4 GLY O O 4.599 -4.705 -5.096 1.00 . A A . 4 GLY O 1 1 7 1885 1 1 5 CYS C C 0.989 -2.698 -4.837 1.00 . A A . 5 CYS C 1 1 7 1886 1 1 5 CYS CA C 2.395 -3.078 -4.565 1.00 . A A . 5 CYS CA 1 1 7 1887 1 1 5 CYS CB C 3.097 -1.919 -3.886 1.00 . A A . 5 CYS CB 1 1 7 1888 1 1 5 CYS H H 2.653 -2.862 -6.622 1.00 . A A . 5 CYS H 1 1 7 1889 1 1 5 CYS HA H 2.415 -3.955 -3.937 1.00 . A A . 5 CYS HA 1 1 7 1890 1 1 5 CYS HB2 H 4.134 -2.134 -3.729 1.00 . A A . 5 CYS HB2 1 1 7 1891 1 1 5 CYS HB3 H 3.035 -1.068 -4.549 1.00 . A A . 5 CYS HB3 1 1 7 1892 1 1 5 CYS N N 3.018 -3.331 -5.839 1.00 . A A . 5 CYS N 1 1 7 1893 1 1 5 CYS O O 0.736 -1.687 -5.514 1.00 . A A . 5 CYS O 1 1 7 1894 1 1 5 CYS SG S 2.395 -1.405 -2.306 1.00 . A A . 5 CYS SG 1 1 7 1895 1 1 6 TRP C C -2.169 -3.705 -3.502 1.00 . A A . 6 TRP C 1 1 7 1896 1 1 6 TRP CA C -1.281 -3.233 -4.639 1.00 . A A . 6 TRP CA 1 1 7 1897 1 1 6 TRP CB C -1.539 -3.818 -6.045 1.00 . A A . 6 TRP CB 1 1 7 1898 1 1 6 TRP CD1 C -2.577 -6.125 -5.844 1.00 . A A . 6 TRP CD1 1 1 7 1899 1 1 6 TRP CD2 C -3.806 -4.613 -6.909 1.00 . A A . 6 TRP CD2 1 1 7 1900 1 1 6 TRP CE2 C -4.513 -5.815 -6.914 1.00 . A A . 6 TRP CE2 1 1 7 1901 1 1 6 TRP CE3 C -4.349 -3.503 -7.510 1.00 . A A . 6 TRP CE3 1 1 7 1902 1 1 6 TRP CG C -2.602 -4.822 -6.219 1.00 . A A . 6 TRP CG 1 1 7 1903 1 1 6 TRP CH2 C -6.274 -4.796 -8.118 1.00 . A A . 6 TRP CH2 1 1 7 1904 1 1 6 TRP CZ2 C -5.760 -5.930 -7.524 1.00 . A A . 6 TRP CZ2 1 1 7 1905 1 1 6 TRP CZ3 C -5.563 -3.587 -8.106 1.00 . A A . 6 TRP CZ3 1 1 7 1906 1 1 6 TRP H H 0.288 -4.203 -3.731 1.00 . A A . 6 TRP H 1 1 7 1907 1 1 6 TRP HA H -1.404 -2.164 -4.674 1.00 . A A . 6 TRP HA 1 1 7 1908 1 1 6 TRP HB2 H -1.752 -3.015 -6.735 1.00 . A A . 6 TRP HB2 1 1 7 1909 1 1 6 TRP HB3 H -0.611 -4.268 -6.368 1.00 . A A . 6 TRP HB3 1 1 7 1910 1 1 6 TRP HD1 H -1.746 -6.554 -5.297 1.00 . A A . 6 TRP HD1 1 1 7 1911 1 1 6 TRP HE1 H -3.973 -7.681 -6.093 1.00 . A A . 6 TRP HE1 1 1 7 1912 1 1 6 TRP HE3 H -3.816 -2.565 -7.507 1.00 . A A . 6 TRP HE3 1 1 7 1913 1 1 6 TRP HH2 H -7.238 -4.825 -8.604 1.00 . A A . 6 TRP HH2 1 1 7 1914 1 1 6 TRP HZ2 H -6.314 -6.858 -7.537 1.00 . A A . 6 TRP HZ2 1 1 7 1915 1 1 6 TRP HZ3 H -5.953 -2.676 -8.545 1.00 . A A . 6 TRP HZ3 1 1 7 1916 1 1 6 TRP N N 0.075 -3.460 -4.336 1.00 . A A . 6 TRP N 1 1 7 1917 1 1 6 TRP NE1 N -3.740 -6.742 -6.250 1.00 . A A . 6 TRP NE1 1 1 7 1918 1 1 6 TRP O O -1.867 -4.707 -2.852 1.00 . A A . 6 TRP O 1 1 7 1919 1 1 7 THR C C -5.182 -4.142 -2.525 1.00 . A A . 7 THR C 1 1 7 1920 1 1 7 THR CA C -4.051 -3.233 -2.106 1.00 . A A . 7 THR CA 1 1 7 1921 1 1 7 THR CB C -4.633 -1.915 -1.465 1.00 . A A . 7 THR CB 1 1 7 1922 1 1 7 THR CG2 C -3.521 -0.913 -1.197 1.00 . A A . 7 THR CG2 1 1 7 1923 1 1 7 THR H H -3.479 -2.199 -3.794 1.00 . A A . 7 THR H 1 1 7 1924 1 1 7 THR HA H -3.454 -3.736 -1.360 1.00 . A A . 7 THR HA 1 1 7 1925 1 1 7 THR HB H -5.110 -2.159 -0.527 1.00 . A A . 7 THR HB 1 1 7 1926 1 1 7 THR HG1 H -6.461 -1.470 -1.981 1.00 . A A . 7 THR HG1 1 1 7 1927 1 1 7 THR HG21 H -2.752 -1.363 -0.589 1.00 . A A . 7 THR HG21 1 1 7 1928 1 1 7 THR HG22 H -3.930 -0.043 -0.706 1.00 . A A . 7 THR HG22 1 1 7 1929 1 1 7 THR HG23 H -3.115 -0.602 -2.150 1.00 . A A . 7 THR HG23 1 1 7 1930 1 1 7 THR N N -3.211 -2.957 -3.224 1.00 . A A . 7 THR N 1 1 7 1931 1 1 7 THR O O -5.942 -3.831 -3.466 1.00 . A A . 7 THR O 1 1 7 1932 1 1 7 THR OG1 O -5.585 -1.285 -2.337 1.00 . A A . 7 THR OG1 1 1 7 1933 1 1 8 LYS C C -7.524 -5.596 -1.276 1.00 . A A . 8 LYS C 1 1 7 1934 1 1 8 LYS CA C -6.399 -6.127 -2.143 1.00 . A A . 8 LYS CA 1 1 7 1935 1 1 8 LYS CB C -6.076 -7.612 -1.822 1.00 . A A . 8 LYS CB 1 1 7 1936 1 1 8 LYS CD C -8.483 -8.526 -1.897 1.00 . A A . 8 LYS CD 1 1 7 1937 1 1 8 LYS CE C -9.434 -9.490 -2.580 1.00 . A A . 8 LYS CE 1 1 7 1938 1 1 8 LYS CG C -7.054 -8.654 -2.428 1.00 . A A . 8 LYS CG 1 1 7 1939 1 1 8 LYS H H -4.602 -5.525 -1.227 1.00 . A A . 8 LYS H 1 1 7 1940 1 1 8 LYS HA H -6.669 -6.013 -3.184 1.00 . A A . 8 LYS HA 1 1 7 1941 1 1 8 LYS HB2 H -5.085 -7.836 -2.191 1.00 . A A . 8 LYS HB2 1 1 7 1942 1 1 8 LYS HB3 H -6.078 -7.735 -0.749 1.00 . A A . 8 LYS HB3 1 1 7 1943 1 1 8 LYS HD2 H -8.482 -8.734 -0.838 1.00 . A A . 8 LYS HD2 1 1 7 1944 1 1 8 LYS HD3 H -8.825 -7.515 -2.062 1.00 . A A . 8 LYS HD3 1 1 7 1945 1 1 8 LYS HE2 H -9.398 -9.320 -3.647 1.00 . A A . 8 LYS HE2 1 1 7 1946 1 1 8 LYS HE3 H -9.122 -10.502 -2.366 1.00 . A A . 8 LYS HE3 1 1 7 1947 1 1 8 LYS HG2 H -7.080 -8.522 -3.500 1.00 . A A . 8 LYS HG2 1 1 7 1948 1 1 8 LYS HG3 H -6.682 -9.644 -2.205 1.00 . A A . 8 LYS HG3 1 1 7 1949 1 1 8 LYS HZ1 H -11.142 -8.328 -2.303 1.00 . A A . 8 LYS HZ1 1 1 7 1950 1 1 8 LYS HZ2 H -10.888 -9.474 -1.084 1.00 . A A . 8 LYS HZ2 1 1 7 1951 1 1 8 LYS HZ3 H -11.470 -9.961 -2.597 1.00 . A A . 8 LYS HZ3 1 1 7 1952 1 1 8 LYS N N -5.287 -5.280 -1.883 1.00 . A A . 8 LYS N 1 1 7 1953 1 1 8 LYS NZ N -10.832 -9.302 -2.108 1.00 . A A . 8 LYS NZ 1 1 7 1954 1 1 8 LYS O O -7.538 -5.774 -0.064 1.00 . A A . 8 LYS O 1 1 7 1955 1 1 9 SER C C -10.730 -4.460 -2.154 1.00 . A A . 9 SER C 1 1 7 1956 1 1 9 SER CA C -9.528 -4.311 -1.231 1.00 . A A . 9 SER CA 1 1 7 1957 1 1 9 SER CB C -9.182 -2.826 -1.007 1.00 . A A . 9 SER CB 1 1 7 1958 1 1 9 SER H H -8.334 -4.782 -2.858 1.00 . A A . 9 SER H 1 1 7 1959 1 1 9 SER HA H -9.704 -4.795 -0.283 1.00 . A A . 9 SER HA 1 1 7 1960 1 1 9 SER HB2 H -9.128 -2.321 -1.960 1.00 . A A . 9 SER HB2 1 1 7 1961 1 1 9 SER HB3 H -9.944 -2.366 -0.397 1.00 . A A . 9 SER HB3 1 1 7 1962 1 1 9 SER HG H -7.737 -3.542 0.088 1.00 . A A . 9 SER HG 1 1 7 1963 1 1 9 SER N N -8.419 -4.920 -1.892 1.00 . A A . 9 SER N 1 1 7 1964 1 1 9 SER O O -10.763 -5.403 -2.977 1.00 . A A . 9 SER O 1 1 7 1965 1 1 9 SER OG O -7.923 -2.701 -0.345 1.00 . A A . 9 SER OG 1 1 7 1966 1 1 10 TYR C C -13.337 -2.125 -2.928 1.00 . A A . 10 TYR C 1 1 7 1967 1 1 10 TYR CA C -12.827 -3.566 -2.892 1.00 . A A . 10 TYR CA 1 1 7 1968 1 1 10 TYR CB C -13.943 -4.537 -2.460 1.00 . A A . 10 TYR CB 1 1 7 1969 1 1 10 TYR CD1 C -15.006 -5.363 -4.599 1.00 . A A . 10 TYR CD1 1 1 7 1970 1 1 10 TYR CD2 C -16.285 -3.913 -3.204 1.00 . A A . 10 TYR CD2 1 1 7 1971 1 1 10 TYR CE1 C -16.052 -5.426 -5.499 1.00 . A A . 10 TYR CE1 1 1 7 1972 1 1 10 TYR CE2 C -17.335 -3.970 -4.100 1.00 . A A . 10 TYR CE2 1 1 7 1973 1 1 10 TYR CG C -15.102 -4.608 -3.437 1.00 . A A . 10 TYR CG 1 1 7 1974 1 1 10 TYR CZ C -17.214 -4.728 -5.246 1.00 . A A . 10 TYR CZ 1 1 7 1975 1 1 10 TYR H H -11.708 -2.949 -1.274 1.00 . A A . 10 TYR H 1 1 7 1976 1 1 10 TYR HA H -12.451 -3.843 -3.869 1.00 . A A . 10 TYR HA 1 1 7 1977 1 1 10 TYR HB2 H -13.528 -5.530 -2.364 1.00 . A A . 10 TYR HB2 1 1 7 1978 1 1 10 TYR HB3 H -14.330 -4.223 -1.501 1.00 . A A . 10 TYR HB3 1 1 7 1979 1 1 10 TYR HD1 H -14.096 -5.910 -4.794 1.00 . A A . 10 TYR HD1 1 1 7 1980 1 1 10 TYR HD2 H -16.378 -3.320 -2.306 1.00 . A A . 10 TYR HD2 1 1 7 1981 1 1 10 TYR HE1 H -15.957 -6.020 -6.396 1.00 . A A . 10 TYR HE1 1 1 7 1982 1 1 10 TYR HE2 H -18.245 -3.422 -3.902 1.00 . A A . 10 TYR HE2 1 1 7 1983 1 1 10 TYR HH H -18.403 -5.695 -6.409 1.00 . A A . 10 TYR HH 1 1 7 1984 1 1 10 TYR N N -11.708 -3.611 -2.000 1.00 . A A . 10 TYR N 1 1 7 1985 1 1 10 TYR O O -13.936 -1.662 -1.969 1.00 . A A . 10 TYR O 1 1 7 1986 1 1 10 TYR OH O -18.255 -4.785 -6.143 1.00 . A A . 10 TYR OH 1 1 7 1987 1 1 11 PRO C C -10.716 -1.940 -4.743 1.00 . A A . 11 PRO C 1 1 7 1988 1 1 11 PRO CA C -12.213 -1.864 -5.093 1.00 . A A . 11 PRO CA 1 1 7 1989 1 1 11 PRO CB C -12.435 -0.847 -6.209 1.00 . A A . 11 PRO CB 1 1 7 1990 1 1 11 PRO CD C -13.459 -0.004 -4.219 1.00 . A A . 11 PRO CD 1 1 7 1991 1 1 11 PRO CG C -13.505 0.072 -5.717 1.00 . A A . 11 PRO CG 1 1 7 1992 1 1 11 PRO HA H -12.578 -2.824 -5.421 1.00 . A A . 11 PRO HA 1 1 7 1993 1 1 11 PRO HB2 H -11.498 -0.349 -6.414 1.00 . A A . 11 PRO HB2 1 1 7 1994 1 1 11 PRO HB3 H -12.771 -1.410 -7.066 1.00 . A A . 11 PRO HB3 1 1 7 1995 1 1 11 PRO HD2 H -12.741 0.697 -3.822 1.00 . A A . 11 PRO HD2 1 1 7 1996 1 1 11 PRO HD3 H -14.438 0.168 -3.795 1.00 . A A . 11 PRO HD3 1 1 7 1997 1 1 11 PRO HG2 H -13.307 1.079 -6.057 1.00 . A A . 11 PRO HG2 1 1 7 1998 1 1 11 PRO HG3 H -14.471 -0.261 -6.064 1.00 . A A . 11 PRO HG3 1 1 7 1999 1 1 11 PRO N N -13.028 -1.379 -3.994 1.00 . A A . 11 PRO N 1 1 7 2000 1 1 11 PRO O O -10.216 -1.169 -3.926 1.00 . A A . 11 PRO O 1 1 7 2001 1 1 12 PRO C C -7.795 -2.137 -6.042 1.00 . A A . 12 PRO C 1 1 7 2002 1 1 12 PRO CA C -8.588 -3.080 -5.121 1.00 . A A . 12 PRO CA 1 1 7 2003 1 1 12 PRO CB C -8.361 -4.552 -5.483 1.00 . A A . 12 PRO CB 1 1 7 2004 1 1 12 PRO CD C -10.584 -3.907 -6.225 1.00 . A A . 12 PRO CD 1 1 7 2005 1 1 12 PRO CG C -9.510 -4.955 -6.362 1.00 . A A . 12 PRO CG 1 1 7 2006 1 1 12 PRO HA H -8.308 -2.894 -4.094 1.00 . A A . 12 PRO HA 1 1 7 2007 1 1 12 PRO HB2 H -7.418 -4.652 -6.000 1.00 . A A . 12 PRO HB2 1 1 7 2008 1 1 12 PRO HB3 H -8.364 -5.165 -4.595 1.00 . A A . 12 PRO HB3 1 1 7 2009 1 1 12 PRO HD2 H -10.828 -3.443 -7.164 1.00 . A A . 12 PRO HD2 1 1 7 2010 1 1 12 PRO HD3 H -11.502 -4.301 -5.820 1.00 . A A . 12 PRO HD3 1 1 7 2011 1 1 12 PRO HG2 H -9.173 -5.015 -7.388 1.00 . A A . 12 PRO HG2 1 1 7 2012 1 1 12 PRO HG3 H -9.897 -5.911 -6.044 1.00 . A A . 12 PRO HG3 1 1 7 2013 1 1 12 PRO N N -10.021 -2.911 -5.316 1.00 . A A . 12 PRO N 1 1 7 2014 1 1 12 PRO O O -8.196 -1.905 -7.190 1.00 . A A . 12 PRO O 1 1 7 2015 1 1 13 LYS C C -4.461 -0.621 -5.903 1.00 . A A . 13 LYS C 1 1 7 2016 1 1 13 LYS CA C -5.966 -0.574 -6.313 1.00 . A A . 13 LYS CA 1 1 7 2017 1 1 13 LYS CB C -6.617 0.773 -5.947 1.00 . A A . 13 LYS CB 1 1 7 2018 1 1 13 LYS CD C -5.122 2.625 -6.858 1.00 . A A . 13 LYS CD 1 1 7 2019 1 1 13 LYS CE C -4.990 3.455 -5.584 1.00 . A A . 13 LYS CE 1 1 7 2020 1 1 13 LYS CG C -6.463 1.934 -6.942 1.00 . A A . 13 LYS CG 1 1 7 2021 1 1 13 LYS H H -6.347 -1.852 -4.671 1.00 . A A . 13 LYS H 1 1 7 2022 1 1 13 LYS HA H -6.085 -0.761 -7.369 1.00 . A A . 13 LYS HA 1 1 7 2023 1 1 13 LYS HB2 H -7.669 0.615 -5.758 1.00 . A A . 13 LYS HB2 1 1 7 2024 1 1 13 LYS HB3 H -6.122 1.023 -5.023 1.00 . A A . 13 LYS HB3 1 1 7 2025 1 1 13 LYS HD2 H -4.377 1.841 -6.862 1.00 . A A . 13 LYS HD2 1 1 7 2026 1 1 13 LYS HD3 H -4.990 3.256 -7.724 1.00 . A A . 13 LYS HD3 1 1 7 2027 1 1 13 LYS HE2 H -5.714 4.256 -5.612 1.00 . A A . 13 LYS HE2 1 1 7 2028 1 1 13 LYS HE3 H -5.184 2.828 -4.726 1.00 . A A . 13 LYS HE3 1 1 7 2029 1 1 13 LYS HG2 H -6.591 1.554 -7.945 1.00 . A A . 13 LYS HG2 1 1 7 2030 1 1 13 LYS HG3 H -7.244 2.647 -6.731 1.00 . A A . 13 LYS HG3 1 1 7 2031 1 1 13 LYS HZ1 H -3.368 4.600 -6.288 1.00 . A A . 13 LYS HZ1 1 1 7 2032 1 1 13 LYS HZ2 H -2.958 3.248 -5.363 1.00 . A A . 13 LYS HZ2 1 1 7 2033 1 1 13 LYS HZ3 H -3.552 4.625 -4.594 1.00 . A A . 13 LYS HZ3 1 1 7 2034 1 1 13 LYS N N -6.698 -1.578 -5.549 1.00 . A A . 13 LYS N 1 1 7 2035 1 1 13 LYS NZ N -3.630 4.043 -5.451 1.00 . A A . 13 LYS NZ 1 1 7 2036 1 1 13 LYS O O -4.173 -0.969 -4.778 1.00 . A A . 13 LYS O 1 1 7 2037 1 1 14 PRO C C -1.815 0.701 -5.240 1.00 . A A . 14 PRO C 1 1 7 2038 1 1 14 PRO CA C -2.030 -0.259 -6.436 1.00 . A A . 14 PRO CA 1 1 7 2039 1 1 14 PRO CB C -1.343 0.270 -7.707 1.00 . A A . 14 PRO CB 1 1 7 2040 1 1 14 PRO CD C -3.646 -0.104 -8.261 1.00 . A A . 14 PRO CD 1 1 7 2041 1 1 14 PRO CG C -2.449 0.738 -8.601 1.00 . A A . 14 PRO CG 1 1 7 2042 1 1 14 PRO HA H -1.655 -1.234 -6.181 1.00 . A A . 14 PRO HA 1 1 7 2043 1 1 14 PRO HB2 H -0.660 1.056 -7.431 1.00 . A A . 14 PRO HB2 1 1 7 2044 1 1 14 PRO HB3 H -0.804 -0.531 -8.191 1.00 . A A . 14 PRO HB3 1 1 7 2045 1 1 14 PRO HD2 H -4.559 0.433 -8.474 1.00 . A A . 14 PRO HD2 1 1 7 2046 1 1 14 PRO HD3 H -3.618 -1.035 -8.808 1.00 . A A . 14 PRO HD3 1 1 7 2047 1 1 14 PRO HG2 H -2.649 1.783 -8.413 1.00 . A A . 14 PRO HG2 1 1 7 2048 1 1 14 PRO HG3 H -2.183 0.585 -9.636 1.00 . A A . 14 PRO HG3 1 1 7 2049 1 1 14 PRO N N -3.471 -0.328 -6.819 1.00 . A A . 14 PRO N 1 1 7 2050 1 1 14 PRO O O -2.605 1.633 -5.066 1.00 . A A . 14 PRO O 1 1 7 2051 1 1 15 CYS C C -0.255 2.773 -3.510 1.00 . A A . 15 CYS C 1 1 7 2052 1 1 15 CYS CA C -0.680 1.325 -3.218 1.00 . A A . 15 CYS CA 1 1 7 2053 1 1 15 CYS CB C 0.233 0.667 -2.174 1.00 . A A . 15 CYS CB 1 1 7 2054 1 1 15 CYS H H -0.029 -0.108 -4.584 1.00 . A A . 15 CYS H 1 1 7 2055 1 1 15 CYS HA H -1.680 1.367 -2.811 1.00 . A A . 15 CYS HA 1 1 7 2056 1 1 15 CYS HB2 H 0.203 1.240 -1.260 1.00 . A A . 15 CYS HB2 1 1 7 2057 1 1 15 CYS HB3 H -0.133 -0.329 -1.973 1.00 . A A . 15 CYS HB3 1 1 7 2058 1 1 15 CYS N N -0.775 0.520 -4.420 1.00 . A A . 15 CYS N 1 1 7 2059 1 1 15 CYS O O -0.231 3.234 -4.667 1.00 . A A . 15 CYS O 1 1 7 2060 1 1 15 CYS SG S 1.964 0.529 -2.667 1.00 . A A . 15 CYS SG 1 1 7 2061 1 1 16 PHE C C 1.856 5.005 -2.176 1.00 . A A . 16 PHE C 1 1 7 2062 1 1 16 PHE CA C 0.398 4.876 -2.545 1.00 . A A . 16 PHE CA 1 1 7 2063 1 1 16 PHE CB C -0.461 5.743 -1.607 1.00 . A A . 16 PHE CB 1 1 7 2064 1 1 16 PHE CD1 C -2.471 6.639 -2.821 1.00 . A A . 16 PHE CD1 1 1 7 2065 1 1 16 PHE CD2 C -2.787 4.828 -1.302 1.00 . A A . 16 PHE CD2 1 1 7 2066 1 1 16 PHE CE1 C -3.823 6.639 -3.105 1.00 . A A . 16 PHE CE1 1 1 7 2067 1 1 16 PHE CE2 C -4.140 4.824 -1.581 1.00 . A A . 16 PHE CE2 1 1 7 2068 1 1 16 PHE CG C -1.936 5.734 -1.918 1.00 . A A . 16 PHE CG 1 1 7 2069 1 1 16 PHE CZ C -4.659 5.731 -2.483 1.00 . A A . 16 PHE CZ 1 1 7 2070 1 1 16 PHE H H -0.012 3.036 -1.600 1.00 . A A . 16 PHE H 1 1 7 2071 1 1 16 PHE HA H 0.257 5.209 -3.563 1.00 . A A . 16 PHE HA 1 1 7 2072 1 1 16 PHE HB2 H -0.339 5.386 -0.594 1.00 . A A . 16 PHE HB2 1 1 7 2073 1 1 16 PHE HB3 H -0.113 6.763 -1.661 1.00 . A A . 16 PHE HB3 1 1 7 2074 1 1 16 PHE HD1 H -1.819 7.349 -3.308 1.00 . A A . 16 PHE HD1 1 1 7 2075 1 1 16 PHE HD2 H -2.382 4.117 -0.595 1.00 . A A . 16 PHE HD2 1 1 7 2076 1 1 16 PHE HE1 H -4.227 7.350 -3.811 1.00 . A A . 16 PHE HE1 1 1 7 2077 1 1 16 PHE HE2 H -4.791 4.112 -1.094 1.00 . A A . 16 PHE HE2 1 1 7 2078 1 1 16 PHE HZ H -5.716 5.730 -2.703 1.00 . A A . 16 PHE HZ 1 1 7 2079 1 1 16 PHE N N 0.011 3.487 -2.468 1.00 . A A . 16 PHE N 1 1 7 2080 1 1 16 PHE O O 2.220 4.858 -1.016 1.00 . A A . 16 PHE O 1 1 7 2081 1 1 17 VAL C C 4.675 6.345 -3.983 1.00 . A A . 17 VAL C 1 1 7 2082 1 1 17 VAL CA C 4.093 5.361 -2.957 1.00 . A A . 17 VAL CA 1 1 7 2083 1 1 17 VAL CB C 4.809 3.959 -3.008 1.00 . A A . 17 VAL CB 1 1 7 2084 1 1 17 VAL CG1 C 4.529 3.221 -4.312 1.00 . A A . 17 VAL CG1 1 1 7 2085 1 1 17 VAL CG2 C 6.312 4.078 -2.758 1.00 . A A . 17 VAL CG2 1 1 7 2086 1 1 17 VAL H H 2.345 5.314 -4.077 1.00 . A A . 17 VAL H 1 1 7 2087 1 1 17 VAL HA H 4.231 5.786 -1.973 1.00 . A A . 17 VAL HA 1 1 7 2088 1 1 17 VAL HB H 4.382 3.362 -2.215 1.00 . A A . 17 VAL HB 1 1 7 2089 1 1 17 VAL HG11 H 5.058 2.280 -4.317 1.00 . A A . 17 VAL HG11 1 1 7 2090 1 1 17 VAL HG12 H 4.852 3.828 -5.143 1.00 . A A . 17 VAL HG12 1 1 7 2091 1 1 17 VAL HG13 H 3.468 3.038 -4.396 1.00 . A A . 17 VAL HG13 1 1 7 2092 1 1 17 VAL HG21 H 6.751 4.713 -3.513 1.00 . A A . 17 VAL HG21 1 1 7 2093 1 1 17 VAL HG22 H 6.763 3.097 -2.804 1.00 . A A . 17 VAL HG22 1 1 7 2094 1 1 17 VAL HG23 H 6.483 4.508 -1.782 1.00 . A A . 17 VAL HG23 1 1 7 2095 1 1 17 VAL N N 2.679 5.229 -3.161 1.00 . A A . 17 VAL N 1 1 7 2096 1 1 17 VAL O O 4.243 6.372 -5.157 1.00 . A A . 17 VAL O 1 1 7 2097 1 1 18 ARG C C 7.211 7.488 -5.316 1.00 . A A . 18 ARG C 1 1 7 2098 1 1 18 ARG CA C 6.233 8.172 -4.368 1.00 . A A . 18 ARG CA 1 1 7 2099 1 1 18 ARG CB C 6.880 9.295 -3.496 1.00 . A A . 18 ARG CB 1 1 7 2100 1 1 18 ARG CD C 8.999 10.175 -4.630 1.00 . A A . 18 ARG CD 1 1 7 2101 1 1 18 ARG CG C 7.538 10.456 -4.269 1.00 . A A . 18 ARG CG 1 1 7 2102 1 1 18 ARG CZ C 10.601 9.153 -2.972 1.00 . A A . 18 ARG CZ 1 1 7 2103 1 1 18 ARG H H 5.869 7.101 -2.593 1.00 . A A . 18 ARG H 1 1 7 2104 1 1 18 ARG HA H 5.449 8.602 -4.976 1.00 . A A . 18 ARG HA 1 1 7 2105 1 1 18 ARG HB2 H 6.116 9.715 -2.859 1.00 . A A . 18 ARG HB2 1 1 7 2106 1 1 18 ARG HB3 H 7.633 8.840 -2.868 1.00 . A A . 18 ARG HB3 1 1 7 2107 1 1 18 ARG HD2 H 9.059 9.203 -5.096 1.00 . A A . 18 ARG HD2 1 1 7 2108 1 1 18 ARG HD3 H 9.333 10.928 -5.329 1.00 . A A . 18 ARG HD3 1 1 7 2109 1 1 18 ARG HE H 9.960 11.092 -3.040 1.00 . A A . 18 ARG HE 1 1 7 2110 1 1 18 ARG HG2 H 6.986 10.621 -5.182 1.00 . A A . 18 ARG HG2 1 1 7 2111 1 1 18 ARG HG3 H 7.491 11.348 -3.661 1.00 . A A . 18 ARG HG3 1 1 7 2112 1 1 18 ARG HH11 H 9.638 7.731 -4.099 1.00 . A A . 18 ARG HH11 1 1 7 2113 1 1 18 ARG HH12 H 10.867 7.110 -3.113 1.00 . A A . 18 ARG HH12 1 1 7 2114 1 1 18 ARG HH21 H 11.674 10.250 -1.604 1.00 . A A . 18 ARG HH21 1 1 7 2115 1 1 18 ARG HH22 H 12.057 8.595 -1.631 1.00 . A A . 18 ARG HH22 1 1 7 2116 1 1 18 ARG N N 5.598 7.177 -3.531 1.00 . A A . 18 ARG N 1 1 7 2117 1 1 18 ARG NE N 9.884 10.199 -3.439 1.00 . A A . 18 ARG NE 1 1 7 2118 1 1 18 ARG NH1 N 10.364 7.920 -3.414 1.00 . A A . 18 ARG NH1 1 1 7 2119 1 1 18 ARG NH2 N 11.506 9.345 -2.001 1.00 . A A . 18 ARG NH2 1 1 7 2120 1 1 18 ARG O O 8.354 7.202 -4.936 1.00 . A A . 18 ARG O 1 1 7 2121 1 1 18 ARG OXT O 6.803 7.159 -6.431 1.00 . A A . 18 ARG OXT 1 1 8 2122 1 1 1 LEU C C 9.955 -2.136 1.477 1.00 . A A . 1 LEU C 1 1 8 2123 1 1 1 LEU CA C 9.873 -3.024 2.692 1.00 . A A . 1 LEU CA 1 1 8 2124 1 1 1 LEU CB C 9.430 -2.249 3.977 1.00 . A A . 1 LEU CB 1 1 8 2125 1 1 1 LEU CD1 C 7.645 -1.420 5.540 1.00 . A A . 1 LEU CD1 1 1 8 2126 1 1 1 LEU CD2 C 7.715 -0.498 3.250 1.00 . A A . 1 LEU CD2 1 1 8 2127 1 1 1 LEU CG C 7.959 -1.750 4.090 1.00 . A A . 1 LEU CG 1 1 8 2128 1 1 1 LEU H1 H 11.516 -4.063 2.045 1.00 . A A . 1 LEU H1 1 1 8 2129 1 1 1 LEU HA H 9.207 -3.849 2.491 1.00 . A A . 1 LEU HA 1 1 8 2130 1 1 1 LEU HB2 H 9.615 -2.894 4.824 1.00 . A A . 1 LEU HB2 1 1 8 2131 1 1 1 LEU HB3 H 10.080 -1.392 4.073 1.00 . A A . 1 LEU HB3 1 1 8 2132 1 1 1 LEU HD11 H 6.627 -1.068 5.616 1.00 . A A . 1 LEU HD11 1 1 8 2133 1 1 1 LEU HD12 H 8.319 -0.651 5.889 1.00 . A A . 1 LEU HD12 1 1 8 2134 1 1 1 LEU HD13 H 7.765 -2.306 6.145 1.00 . A A . 1 LEU HD13 1 1 8 2135 1 1 1 LEU HD21 H 6.685 -0.192 3.352 1.00 . A A . 1 LEU HD21 1 1 8 2136 1 1 1 LEU HD22 H 7.925 -0.718 2.212 1.00 . A A . 1 LEU HD22 1 1 8 2137 1 1 1 LEU HD23 H 8.364 0.296 3.588 1.00 . A A . 1 LEU HD23 1 1 8 2138 1 1 1 LEU HG H 7.286 -2.529 3.764 1.00 . A A . 1 LEU HG 1 1 8 2139 1 1 1 LEU N N 11.226 -3.543 2.897 1.00 . A A . 1 LEU N 1 1 8 2140 1 1 1 LEU O O 10.999 -1.553 1.244 1.00 . A A . 1 LEU O 1 1 8 2141 1 1 2 VAL C C 7.418 -0.862 -0.694 1.00 . A A . 2 VAL C 1 1 8 2142 1 1 2 VAL CA C 8.870 -1.274 -0.498 1.00 . A A . 2 VAL CA 1 1 8 2143 1 1 2 VAL CB C 9.410 -2.075 -1.742 1.00 . A A . 2 VAL CB 1 1 8 2144 1 1 2 VAL CG1 C 8.528 -3.273 -2.089 1.00 . A A . 2 VAL CG1 1 1 8 2145 1 1 2 VAL CG2 C 9.623 -1.171 -2.956 1.00 . A A . 2 VAL CG2 1 1 8 2146 1 1 2 VAL H H 8.072 -2.563 0.888 1.00 . A A . 2 VAL H 1 1 8 2147 1 1 2 VAL HA H 9.474 -0.395 -0.332 1.00 . A A . 2 VAL HA 1 1 8 2148 1 1 2 VAL HB H 10.370 -2.478 -1.451 1.00 . A A . 2 VAL HB 1 1 8 2149 1 1 2 VAL HG11 H 8.939 -3.789 -2.944 1.00 . A A . 2 VAL HG11 1 1 8 2150 1 1 2 VAL HG12 H 7.531 -2.930 -2.322 1.00 . A A . 2 VAL HG12 1 1 8 2151 1 1 2 VAL HG13 H 8.487 -3.947 -1.245 1.00 . A A . 2 VAL HG13 1 1 8 2152 1 1 2 VAL HG21 H 9.989 -1.761 -3.784 1.00 . A A . 2 VAL HG21 1 1 8 2153 1 1 2 VAL HG22 H 10.342 -0.404 -2.713 1.00 . A A . 2 VAL HG22 1 1 8 2154 1 1 2 VAL HG23 H 8.685 -0.710 -3.230 1.00 . A A . 2 VAL HG23 1 1 8 2155 1 1 2 VAL N N 8.909 -2.084 0.694 1.00 . A A . 2 VAL N 1 1 8 2156 1 1 2 VAL O O 6.533 -1.514 -0.148 1.00 . A A . 2 VAL O 1 1 8 2157 1 1 3 ARG C C 5.395 0.312 -3.071 1.00 . A A . 3 ARG C 1 1 8 2158 1 1 3 ARG CA C 5.814 0.667 -1.636 1.00 . A A . 3 ARG CA 1 1 8 2159 1 1 3 ARG CB C 5.714 2.187 -1.354 1.00 . A A . 3 ARG CB 1 1 8 2160 1 1 3 ARG CD C 3.512 2.036 -0.091 1.00 . A A . 3 ARG CD 1 1 8 2161 1 1 3 ARG CG C 4.280 2.738 -1.217 1.00 . A A . 3 ARG CG 1 1 8 2162 1 1 3 ARG CZ C 1.091 1.949 0.579 1.00 . A A . 3 ARG CZ 1 1 8 2163 1 1 3 ARG H H 7.912 0.710 -1.821 1.00 . A A . 3 ARG H 1 1 8 2164 1 1 3 ARG HA H 5.180 0.126 -0.949 1.00 . A A . 3 ARG HA 1 1 8 2165 1 1 3 ARG HB2 H 6.239 2.399 -0.434 1.00 . A A . 3 ARG HB2 1 1 8 2166 1 1 3 ARG HB3 H 6.203 2.714 -2.159 1.00 . A A . 3 ARG HB3 1 1 8 2167 1 1 3 ARG HD2 H 3.378 0.999 -0.360 1.00 . A A . 3 ARG HD2 1 1 8 2168 1 1 3 ARG HD3 H 4.094 2.097 0.816 1.00 . A A . 3 ARG HD3 1 1 8 2169 1 1 3 ARG HE H 2.126 3.595 -0.014 1.00 . A A . 3 ARG HE 1 1 8 2170 1 1 3 ARG HG2 H 4.327 3.794 -1.001 1.00 . A A . 3 ARG HG2 1 1 8 2171 1 1 3 ARG HG3 H 3.758 2.583 -2.151 1.00 . A A . 3 ARG HG3 1 1 8 2172 1 1 3 ARG HH11 H 2.004 0.116 0.600 1.00 . A A . 3 ARG HH11 1 1 8 2173 1 1 3 ARG HH12 H 0.370 0.110 1.102 1.00 . A A . 3 ARG HH12 1 1 8 2174 1 1 3 ARG HH21 H -0.180 3.584 0.719 1.00 . A A . 3 ARG HH21 1 1 8 2175 1 1 3 ARG HH22 H -0.927 2.130 1.059 1.00 . A A . 3 ARG HH22 1 1 8 2176 1 1 3 ARG N N 7.174 0.208 -1.415 1.00 . A A . 3 ARG N 1 1 8 2177 1 1 3 ARG NE N 2.178 2.629 0.152 1.00 . A A . 3 ARG NE 1 1 8 2178 1 1 3 ARG NH1 N 1.160 0.629 0.772 1.00 . A A . 3 ARG NH1 1 1 8 2179 1 1 3 ARG NH2 N -0.058 2.588 0.815 1.00 . A A . 3 ARG NH2 1 1 8 2180 1 1 3 ARG O O 4.535 0.936 -3.666 1.00 . A A . 3 ARG O 1 1 8 2181 1 1 4 GLY C C 4.716 -2.376 -4.704 1.00 . A A . 4 GLY C 1 1 8 2182 1 1 4 GLY CA C 5.652 -1.220 -4.893 1.00 . A A . 4 GLY CA 1 1 8 2183 1 1 4 GLY H H 6.713 -1.172 -3.084 1.00 . A A . 4 GLY H 1 1 8 2184 1 1 4 GLY HA2 H 5.165 -0.437 -5.456 1.00 . A A . 4 GLY HA2 1 1 8 2185 1 1 4 GLY HA3 H 6.531 -1.560 -5.417 1.00 . A A . 4 GLY HA3 1 1 8 2186 1 1 4 GLY N N 6.018 -0.718 -3.597 1.00 . A A . 4 GLY N 1 1 8 2187 1 1 4 GLY O O 5.123 -3.531 -4.736 1.00 . A A . 4 GLY O 1 1 8 2188 1 1 5 CYS C C 1.142 -2.654 -4.744 1.00 . A A . 5 CYS C 1 1 8 2189 1 1 5 CYS CA C 2.481 -3.027 -4.164 1.00 . A A . 5 CYS CA 1 1 8 2190 1 1 5 CYS CB C 2.397 -3.253 -2.641 1.00 . A A . 5 CYS CB 1 1 8 2191 1 1 5 CYS H H 3.202 -1.121 -4.449 1.00 . A A . 5 CYS H 1 1 8 2192 1 1 5 CYS HA H 2.700 -3.978 -4.624 1.00 . A A . 5 CYS HA 1 1 8 2193 1 1 5 CYS HB2 H 1.455 -3.752 -2.489 1.00 . A A . 5 CYS HB2 1 1 8 2194 1 1 5 CYS HB3 H 3.211 -3.884 -2.311 1.00 . A A . 5 CYS HB3 1 1 8 2195 1 1 5 CYS N N 3.484 -2.061 -4.460 1.00 . A A . 5 CYS N 1 1 8 2196 1 1 5 CYS O O 0.972 -1.595 -5.365 1.00 . A A . 5 CYS O 1 1 8 2197 1 1 5 CYS SG S 2.321 -1.757 -1.553 1.00 . A A . 5 CYS SG 1 1 8 2198 1 1 6 TRP C C -2.099 -3.980 -4.066 1.00 . A A . 6 TRP C 1 1 8 2199 1 1 6 TRP CA C -1.112 -3.349 -5.056 1.00 . A A . 6 TRP CA 1 1 8 2200 1 1 6 TRP CB C -1.126 -3.869 -6.516 1.00 . A A . 6 TRP CB 1 1 8 2201 1 1 6 TRP CD1 C -2.079 -6.174 -6.909 1.00 . A A . 6 TRP CD1 1 1 8 2202 1 1 6 TRP CD2 C -3.444 -4.507 -7.465 1.00 . A A . 6 TRP CD2 1 1 8 2203 1 1 6 TRP CE2 C -4.096 -5.711 -7.752 1.00 . A A . 6 TRP CE2 1 1 8 2204 1 1 6 TRP CE3 C -4.086 -3.314 -7.728 1.00 . A A . 6 TRP CE3 1 1 8 2205 1 1 6 TRP CG C -2.177 -4.826 -6.922 1.00 . A A . 6 TRP CG 1 1 8 2206 1 1 6 TRP CH2 C -5.985 -4.541 -8.549 1.00 . A A . 6 TRP CH2 1 1 8 2207 1 1 6 TRP CZ2 C -5.376 -5.747 -8.300 1.00 . A A . 6 TRP CZ2 1 1 8 2208 1 1 6 TRP CZ3 C -5.341 -3.330 -8.264 1.00 . A A . 6 TRP CZ3 1 1 8 2209 1 1 6 TRP H H 0.387 -4.337 -4.044 1.00 . A A . 6 TRP H 1 1 8 2210 1 1 6 TRP HA H -1.288 -2.286 -5.047 1.00 . A A . 6 TRP HA 1 1 8 2211 1 1 6 TRP HB2 H -1.213 -3.021 -7.179 1.00 . A A . 6 TRP HB2 1 1 8 2212 1 1 6 TRP HB3 H -0.165 -4.328 -6.704 1.00 . A A . 6 TRP HB3 1 1 8 2213 1 1 6 TRP HD1 H -1.193 -6.675 -6.538 1.00 . A A . 6 TRP HD1 1 1 8 2214 1 1 6 TRP HE1 H -3.451 -7.683 -7.513 1.00 . A A . 6 TRP HE1 1 1 8 2215 1 1 6 TRP HE3 H -3.607 -2.369 -7.515 1.00 . A A . 6 TRP HE3 1 1 8 2216 1 1 6 TRP HH2 H -6.977 -4.512 -8.976 1.00 . A A . 6 TRP HH2 1 1 8 2217 1 1 6 TRP HZ2 H -5.881 -6.675 -8.522 1.00 . A A . 6 TRP HZ2 1 1 8 2218 1 1 6 TRP HZ3 H -5.820 -2.376 -8.447 1.00 . A A . 6 TRP HZ3 1 1 8 2219 1 1 6 TRP N N 0.197 -3.522 -4.551 1.00 . A A . 6 TRP N 1 1 8 2220 1 1 6 TRP NE1 N -3.242 -6.731 -7.398 1.00 . A A . 6 TRP NE1 1 1 8 2221 1 1 6 TRP O O -1.997 -5.181 -3.728 1.00 . A A . 6 TRP O 1 1 8 2222 1 1 7 THR C C -5.031 -4.349 -2.813 1.00 . A A . 7 THR C 1 1 8 2223 1 1 7 THR CA C -3.845 -3.492 -2.438 1.00 . A A . 7 THR CA 1 1 8 2224 1 1 7 THR CB C -4.348 -2.207 -1.688 1.00 . A A . 7 THR CB 1 1 8 2225 1 1 7 THR CG2 C -3.199 -1.265 -1.445 1.00 . A A . 7 THR CG2 1 1 8 2226 1 1 7 THR H H -3.178 -2.300 -4.020 1.00 . A A . 7 THR H 1 1 8 2227 1 1 7 THR HA H -3.233 -4.049 -1.744 1.00 . A A . 7 THR HA 1 1 8 2228 1 1 7 THR HB H -4.775 -2.486 -0.735 1.00 . A A . 7 THR HB 1 1 8 2229 1 1 7 THR HG1 H -5.058 -1.568 -3.397 1.00 . A A . 7 THR HG1 1 1 8 2230 1 1 7 THR HG21 H -2.824 -0.972 -2.415 1.00 . A A . 7 THR HG21 1 1 8 2231 1 1 7 THR HG22 H -2.422 -1.750 -0.874 1.00 . A A . 7 THR HG22 1 1 8 2232 1 1 7 THR HG23 H -3.568 -0.393 -0.925 1.00 . A A . 7 THR HG23 1 1 8 2233 1 1 7 THR N N -3.009 -3.160 -3.576 1.00 . A A . 7 THR N 1 1 8 2234 1 1 7 THR O O -5.650 -4.162 -3.878 1.00 . A A . 7 THR O 1 1 8 2235 1 1 7 THR OG1 O -5.317 -1.500 -2.468 1.00 . A A . 7 THR OG1 1 1 8 2236 1 1 8 LYS C C -7.523 -5.577 -1.170 1.00 . A A . 8 LYS C 1 1 8 2237 1 1 8 LYS CA C -6.466 -6.136 -2.089 1.00 . A A . 8 LYS CA 1 1 8 2238 1 1 8 LYS CB C -6.165 -7.614 -1.715 1.00 . A A . 8 LYS CB 1 1 8 2239 1 1 8 LYS CD C -3.636 -7.868 -1.924 1.00 . A A . 8 LYS CD 1 1 8 2240 1 1 8 LYS CE C -2.498 -8.446 -2.749 1.00 . A A . 8 LYS CE 1 1 8 2241 1 1 8 LYS CG C -5.005 -8.278 -2.478 1.00 . A A . 8 LYS CG 1 1 8 2242 1 1 8 LYS H H -4.789 -5.402 -1.134 1.00 . A A . 8 LYS H 1 1 8 2243 1 1 8 LYS HA H -6.810 -6.072 -3.111 1.00 . A A . 8 LYS HA 1 1 8 2244 1 1 8 LYS HB2 H -5.931 -7.657 -0.662 1.00 . A A . 8 LYS HB2 1 1 8 2245 1 1 8 LYS HB3 H -7.059 -8.195 -1.888 1.00 . A A . 8 LYS HB3 1 1 8 2246 1 1 8 LYS HD2 H -3.562 -6.791 -1.941 1.00 . A A . 8 LYS HD2 1 1 8 2247 1 1 8 LYS HD3 H -3.551 -8.219 -0.907 1.00 . A A . 8 LYS HD3 1 1 8 2248 1 1 8 LYS HE2 H -1.562 -8.221 -2.260 1.00 . A A . 8 LYS HE2 1 1 8 2249 1 1 8 LYS HE3 H -2.622 -9.517 -2.812 1.00 . A A . 8 LYS HE3 1 1 8 2250 1 1 8 LYS HG2 H -5.101 -9.351 -2.399 1.00 . A A . 8 LYS HG2 1 1 8 2251 1 1 8 LYS HG3 H -5.065 -7.988 -3.516 1.00 . A A . 8 LYS HG3 1 1 8 2252 1 1 8 LYS HZ1 H -2.327 -6.847 -4.066 1.00 . A A . 8 LYS HZ1 1 1 8 2253 1 1 8 LYS HZ2 H -3.372 -8.061 -4.610 1.00 . A A . 8 LYS HZ2 1 1 8 2254 1 1 8 LYS HZ3 H -1.695 -8.294 -4.672 1.00 . A A . 8 LYS HZ3 1 1 8 2255 1 1 8 LYS N N -5.328 -5.291 -1.943 1.00 . A A . 8 LYS N 1 1 8 2256 1 1 8 LYS NZ N -2.474 -7.880 -4.121 1.00 . A A . 8 LYS NZ 1 1 8 2257 1 1 8 LYS O O -7.395 -5.642 0.051 1.00 . A A . 8 LYS O 1 1 8 2258 1 1 9 SER C C -10.684 -4.229 -2.051 1.00 . A A . 9 SER C 1 1 8 2259 1 1 9 SER CA C -9.560 -4.316 -1.049 1.00 . A A . 9 SER CA 1 1 8 2260 1 1 9 SER CB C -9.137 -2.899 -0.576 1.00 . A A . 9 SER CB 1 1 8 2261 1 1 9 SER H H -8.517 -4.881 -2.722 1.00 . A A . 9 SER H 1 1 8 2262 1 1 9 SER HA H -9.848 -4.925 -0.206 1.00 . A A . 9 SER HA 1 1 8 2263 1 1 9 SER HB2 H -8.873 -2.300 -1.436 1.00 . A A . 9 SER HB2 1 1 8 2264 1 1 9 SER HB3 H -9.963 -2.434 -0.058 1.00 . A A . 9 SER HB3 1 1 8 2265 1 1 9 SER HG H -7.812 -3.897 0.408 1.00 . A A . 9 SER HG 1 1 8 2266 1 1 9 SER N N -8.474 -4.942 -1.745 1.00 . A A . 9 SER N 1 1 8 2267 1 1 9 SER O O -10.604 -4.873 -3.096 1.00 . A A . 9 SER O 1 1 8 2268 1 1 9 SER OG O -8.005 -2.951 0.310 1.00 . A A . 9 SER OG 1 1 8 2269 1 1 10 TYR C C -13.092 -1.801 -2.741 1.00 . A A . 10 TYR C 1 1 8 2270 1 1 10 TYR CA C -12.756 -3.286 -2.709 1.00 . A A . 10 TYR CA 1 1 8 2271 1 1 10 TYR CB C -13.992 -4.128 -2.352 1.00 . A A . 10 TYR CB 1 1 8 2272 1 1 10 TYR CD1 C -15.052 -4.670 -4.581 1.00 . A A . 10 TYR CD1 1 1 8 2273 1 1 10 TYR CD2 C -16.254 -3.253 -3.087 1.00 . A A . 10 TYR CD2 1 1 8 2274 1 1 10 TYR CE1 C -16.072 -4.569 -5.506 1.00 . A A . 10 TYR CE1 1 1 8 2275 1 1 10 TYR CE2 C -17.279 -3.146 -4.007 1.00 . A A . 10 TYR CE2 1 1 8 2276 1 1 10 TYR CG C -15.123 -4.017 -3.358 1.00 . A A . 10 TYR CG 1 1 8 2277 1 1 10 TYR CZ C -17.183 -3.806 -5.213 1.00 . A A . 10 TYR CZ 1 1 8 2278 1 1 10 TYR H H -11.786 -3.019 -0.904 1.00 . A A . 10 TYR H 1 1 8 2279 1 1 10 TYR HA H -12.373 -3.591 -3.677 1.00 . A A . 10 TYR HA 1 1 8 2280 1 1 10 TYR HB2 H -13.706 -5.168 -2.292 1.00 . A A . 10 TYR HB2 1 1 8 2281 1 1 10 TYR HB3 H -14.367 -3.810 -1.390 1.00 . A A . 10 TYR HB3 1 1 8 2282 1 1 10 TYR HD1 H -14.181 -5.267 -4.806 1.00 . A A . 10 TYR HD1 1 1 8 2283 1 1 10 TYR HD2 H -16.325 -2.738 -2.141 1.00 . A A . 10 TYR HD2 1 1 8 2284 1 1 10 TYR HE1 H -15.998 -5.085 -6.451 1.00 . A A . 10 TYR HE1 1 1 8 2285 1 1 10 TYR HE2 H -18.149 -2.548 -3.780 1.00 . A A . 10 TYR HE2 1 1 8 2286 1 1 10 TYR HH H -18.505 -2.793 -6.182 1.00 . A A . 10 TYR HH 1 1 8 2287 1 1 10 TYR N N -11.705 -3.483 -1.763 1.00 . A A . 10 TYR N 1 1 8 2288 1 1 10 TYR O O -13.544 -1.252 -1.743 1.00 . A A . 10 TYR O 1 1 8 2289 1 1 10 TYR OH O -18.199 -3.701 -6.133 1.00 . A A . 10 TYR OH 1 1 8 2290 1 1 11 PRO C C -10.691 -1.968 -4.865 1.00 . A A . 11 PRO C 1 1 8 2291 1 1 11 PRO CA C -12.205 -1.742 -5.026 1.00 . A A . 11 PRO CA 1 1 8 2292 1 1 11 PRO CB C -12.462 -0.742 -6.155 1.00 . A A . 11 PRO CB 1 1 8 2293 1 1 11 PRO CD C -13.102 0.282 -4.092 1.00 . A A . 11 PRO CD 1 1 8 2294 1 1 11 PRO CG C -13.348 0.313 -5.571 1.00 . A A . 11 PRO CG 1 1 8 2295 1 1 11 PRO HA H -12.713 -2.664 -5.261 1.00 . A A . 11 PRO HA 1 1 8 2296 1 1 11 PRO HB2 H -11.515 -0.356 -6.503 1.00 . A A . 11 PRO HB2 1 1 8 2297 1 1 11 PRO HB3 H -12.972 -1.288 -6.935 1.00 . A A . 11 PRO HB3 1 1 8 2298 1 1 11 PRO HD2 H -12.253 0.897 -3.833 1.00 . A A . 11 PRO HD2 1 1 8 2299 1 1 11 PRO HD3 H -13.982 0.595 -3.548 1.00 . A A . 11 PRO HD3 1 1 8 2300 1 1 11 PRO HG2 H -13.090 1.276 -5.986 1.00 . A A . 11 PRO HG2 1 1 8 2301 1 1 11 PRO HG3 H -14.384 0.079 -5.769 1.00 . A A . 11 PRO HG3 1 1 8 2302 1 1 11 PRO N N -12.820 -1.127 -3.860 1.00 . A A . 11 PRO N 1 1 8 2303 1 1 11 PRO O O -10.013 -1.235 -4.129 1.00 . A A . 11 PRO O 1 1 8 2304 1 1 12 PRO C C -7.985 -2.197 -6.231 1.00 . A A . 12 PRO C 1 1 8 2305 1 1 12 PRO CA C -8.732 -3.321 -5.515 1.00 . A A . 12 PRO CA 1 1 8 2306 1 1 12 PRO CB C -8.634 -4.629 -6.315 1.00 . A A . 12 PRO CB 1 1 8 2307 1 1 12 PRO CD C -10.946 -4.007 -6.251 1.00 . A A . 12 PRO CD 1 1 8 2308 1 1 12 PRO CG C -10.018 -5.181 -6.361 1.00 . A A . 12 PRO CG 1 1 8 2309 1 1 12 PRO HA H -8.339 -3.445 -4.516 1.00 . A A . 12 PRO HA 1 1 8 2310 1 1 12 PRO HB2 H -8.266 -4.412 -7.308 1.00 . A A . 12 PRO HB2 1 1 8 2311 1 1 12 PRO HB3 H -7.983 -5.330 -5.816 1.00 . A A . 12 PRO HB3 1 1 8 2312 1 1 12 PRO HD2 H -11.230 -3.606 -7.208 1.00 . A A . 12 PRO HD2 1 1 8 2313 1 1 12 PRO HD3 H -11.850 -4.249 -5.718 1.00 . A A . 12 PRO HD3 1 1 8 2314 1 1 12 PRO HG2 H -10.172 -5.705 -7.292 1.00 . A A . 12 PRO HG2 1 1 8 2315 1 1 12 PRO HG3 H -10.180 -5.844 -5.524 1.00 . A A . 12 PRO HG3 1 1 8 2316 1 1 12 PRO N N -10.170 -3.023 -5.501 1.00 . A A . 12 PRO N 1 1 8 2317 1 1 12 PRO O O -8.409 -1.750 -7.300 1.00 . A A . 12 PRO O 1 1 8 2318 1 1 13 LYS C C -4.739 -0.663 -5.887 1.00 . A A . 13 LYS C 1 1 8 2319 1 1 13 LYS CA C -6.243 -0.557 -6.197 1.00 . A A . 13 LYS CA 1 1 8 2320 1 1 13 LYS CB C -6.920 0.644 -5.477 1.00 . A A . 13 LYS CB 1 1 8 2321 1 1 13 LYS CD C -5.398 2.698 -5.803 1.00 . A A . 13 LYS CD 1 1 8 2322 1 1 13 LYS CE C -5.221 3.179 -4.332 1.00 . A A . 13 LYS CE 1 1 8 2323 1 1 13 LYS CG C -6.748 2.042 -6.079 1.00 . A A . 13 LYS CG 1 1 8 2324 1 1 13 LYS H H -6.494 -2.193 -4.886 1.00 . A A . 13 LYS H 1 1 8 2325 1 1 13 LYS HA H -6.422 -0.490 -7.258 1.00 . A A . 13 LYS HA 1 1 8 2326 1 1 13 LYS HB2 H -7.979 0.446 -5.411 1.00 . A A . 13 LYS HB2 1 1 8 2327 1 1 13 LYS HB3 H -6.513 0.643 -4.478 1.00 . A A . 13 LYS HB3 1 1 8 2328 1 1 13 LYS HD2 H -4.659 1.938 -6.021 1.00 . A A . 13 LYS HD2 1 1 8 2329 1 1 13 LYS HD3 H -5.266 3.529 -6.480 1.00 . A A . 13 LYS HD3 1 1 8 2330 1 1 13 LYS HE2 H -4.334 3.791 -4.274 1.00 . A A . 13 LYS HE2 1 1 8 2331 1 1 13 LYS HE3 H -6.078 3.782 -4.067 1.00 . A A . 13 LYS HE3 1 1 8 2332 1 1 13 LYS HG2 H -6.876 1.975 -7.149 1.00 . A A . 13 LYS HG2 1 1 8 2333 1 1 13 LYS HG3 H -7.531 2.663 -5.672 1.00 . A A . 13 LYS HG3 1 1 8 2334 1 1 13 LYS HZ1 H -4.355 1.415 -3.703 1.00 . A A . 13 LYS HZ1 1 1 8 2335 1 1 13 LYS HZ2 H -5.955 1.531 -3.186 1.00 . A A . 13 LYS HZ2 1 1 8 2336 1 1 13 LYS HZ3 H -4.700 2.404 -2.432 1.00 . A A . 13 LYS HZ3 1 1 8 2337 1 1 13 LYS N N -6.893 -1.733 -5.660 1.00 . A A . 13 LYS N 1 1 8 2338 1 1 13 LYS NZ N -5.084 2.068 -3.349 1.00 . A A . 13 LYS NZ 1 1 8 2339 1 1 13 LYS O O -4.391 -1.214 -4.859 1.00 . A A . 13 LYS O 1 1 8 2340 1 1 14 PRO C C -2.027 0.510 -5.184 1.00 . A A . 14 PRO C 1 1 8 2341 1 1 14 PRO CA C -2.347 -0.232 -6.497 1.00 . A A . 14 PRO CA 1 1 8 2342 1 1 14 PRO CB C -1.734 0.501 -7.703 1.00 . A A . 14 PRO CB 1 1 8 2343 1 1 14 PRO CD C -4.091 0.348 -8.114 1.00 . A A . 14 PRO CD 1 1 8 2344 1 1 14 PRO CG C -2.877 1.196 -8.373 1.00 . A A . 14 PRO CG 1 1 8 2345 1 1 14 PRO HA H -1.995 -1.250 -6.447 1.00 . A A . 14 PRO HA 1 1 8 2346 1 1 14 PRO HB2 H -0.981 1.194 -7.355 1.00 . A A . 14 PRO HB2 1 1 8 2347 1 1 14 PRO HB3 H -1.296 -0.212 -8.386 1.00 . A A . 14 PRO HB3 1 1 8 2348 1 1 14 PRO HD2 H -4.982 0.958 -8.111 1.00 . A A . 14 PRO HD2 1 1 8 2349 1 1 14 PRO HD3 H -4.170 -0.441 -8.846 1.00 . A A . 14 PRO HD3 1 1 8 2350 1 1 14 PRO HG2 H -3.001 2.181 -7.949 1.00 . A A . 14 PRO HG2 1 1 8 2351 1 1 14 PRO HG3 H -2.704 1.261 -9.437 1.00 . A A . 14 PRO HG3 1 1 8 2352 1 1 14 PRO N N -3.814 -0.200 -6.777 1.00 . A A . 14 PRO N 1 1 8 2353 1 1 14 PRO O O -2.864 1.264 -4.695 1.00 . A A . 14 PRO O 1 1 8 2354 1 1 15 CYS C C -0.139 2.407 -3.461 1.00 . A A . 15 CYS C 1 1 8 2355 1 1 15 CYS CA C -0.632 0.999 -3.314 1.00 . A A . 15 CYS CA 1 1 8 2356 1 1 15 CYS CB C 0.129 0.189 -2.328 1.00 . A A . 15 CYS CB 1 1 8 2357 1 1 15 CYS H H -0.159 -0.257 -4.956 1.00 . A A . 15 CYS H 1 1 8 2358 1 1 15 CYS HA H -1.635 1.127 -2.931 1.00 . A A . 15 CYS HA 1 1 8 2359 1 1 15 CYS HB2 H 0.086 0.638 -1.348 1.00 . A A . 15 CYS HB2 1 1 8 2360 1 1 15 CYS HB3 H -0.453 -0.714 -2.369 1.00 . A A . 15 CYS HB3 1 1 8 2361 1 1 15 CYS N N -0.868 0.320 -4.582 1.00 . A A . 15 CYS N 1 1 8 2362 1 1 15 CYS O O 0.989 2.779 -3.156 1.00 . A A . 15 CYS O 1 1 8 2363 1 1 15 CYS SG S 1.842 -0.200 -2.754 1.00 . A A . 15 CYS SG 1 1 8 2364 1 1 16 PHE C C -1.529 5.258 -3.083 1.00 . A A . 16 PHE C 1 1 8 2365 1 1 16 PHE CA C -0.856 4.536 -4.214 1.00 . A A . 16 PHE CA 1 1 8 2366 1 1 16 PHE CB C -1.476 4.919 -5.570 1.00 . A A . 16 PHE CB 1 1 8 2367 1 1 16 PHE CD1 C -0.127 6.869 -6.408 1.00 . A A . 16 PHE CD1 1 1 8 2368 1 1 16 PHE CD2 C -2.400 7.252 -5.795 1.00 . A A . 16 PHE CD2 1 1 8 2369 1 1 16 PHE CE1 C 0.010 8.204 -6.740 1.00 . A A . 16 PHE CE1 1 1 8 2370 1 1 16 PHE CE2 C -2.269 8.587 -6.125 1.00 . A A . 16 PHE CE2 1 1 8 2371 1 1 16 PHE CG C -1.332 6.376 -5.933 1.00 . A A . 16 PHE CG 1 1 8 2372 1 1 16 PHE CZ C -1.062 9.063 -6.597 1.00 . A A . 16 PHE CZ 1 1 8 2373 1 1 16 PHE H H -1.829 2.623 -4.142 1.00 . A A . 16 PHE H 1 1 8 2374 1 1 16 PHE HA H 0.199 4.766 -4.215 1.00 . A A . 16 PHE HA 1 1 8 2375 1 1 16 PHE HB2 H -1.002 4.340 -6.349 1.00 . A A . 16 PHE HB2 1 1 8 2376 1 1 16 PHE HB3 H -2.530 4.682 -5.551 1.00 . A A . 16 PHE HB3 1 1 8 2377 1 1 16 PHE HD1 H 0.712 6.198 -6.520 1.00 . A A . 16 PHE HD1 1 1 8 2378 1 1 16 PHE HD2 H -3.344 6.880 -5.424 1.00 . A A . 16 PHE HD2 1 1 8 2379 1 1 16 PHE HE1 H 0.954 8.574 -7.110 1.00 . A A . 16 PHE HE1 1 1 8 2380 1 1 16 PHE HE2 H -3.108 9.256 -6.012 1.00 . A A . 16 PHE HE2 1 1 8 2381 1 1 16 PHE HZ H -0.957 10.106 -6.855 1.00 . A A . 16 PHE HZ 1 1 8 2382 1 1 16 PHE N N -1.016 3.144 -3.969 1.00 . A A . 16 PHE N 1 1 8 2383 1 1 16 PHE O O -2.765 5.274 -2.995 1.00 . A A . 16 PHE O 1 1 8 2384 1 1 17 VAL C C -1.658 5.491 0.055 1.00 . A A . 17 VAL C 1 1 8 2385 1 1 17 VAL CA C -1.151 6.469 -0.967 1.00 . A A . 17 VAL CA 1 1 8 2386 1 1 17 VAL CB C -2.169 7.641 -1.221 1.00 . A A . 17 VAL CB 1 1 8 2387 1 1 17 VAL CG1 C -2.569 8.323 0.089 1.00 . A A . 17 VAL CG1 1 1 8 2388 1 1 17 VAL CG2 C -1.578 8.668 -2.183 1.00 . A A . 17 VAL CG2 1 1 8 2389 1 1 17 VAL H H 0.248 5.685 -2.345 1.00 . A A . 17 VAL H 1 1 8 2390 1 1 17 VAL HA H -0.289 6.856 -0.484 1.00 . A A . 17 VAL HA 1 1 8 2391 1 1 17 VAL HB H -3.057 7.221 -1.671 1.00 . A A . 17 VAL HB 1 1 8 2392 1 1 17 VAL HG11 H -1.690 8.729 0.565 1.00 . A A . 17 VAL HG11 1 1 8 2393 1 1 17 VAL HG12 H -3.030 7.598 0.745 1.00 . A A . 17 VAL HG12 1 1 8 2394 1 1 17 VAL HG13 H -3.268 9.119 -0.118 1.00 . A A . 17 VAL HG13 1 1 8 2395 1 1 17 VAL HG21 H -1.351 8.190 -3.124 1.00 . A A . 17 VAL HG21 1 1 8 2396 1 1 17 VAL HG22 H -0.673 9.078 -1.760 1.00 . A A . 17 VAL HG22 1 1 8 2397 1 1 17 VAL HG23 H -2.291 9.464 -2.347 1.00 . A A . 17 VAL HG23 1 1 8 2398 1 1 17 VAL N N -0.714 5.780 -2.184 1.00 . A A . 17 VAL N 1 1 8 2399 1 1 17 VAL O O -0.987 5.157 1.025 1.00 . A A . 17 VAL O 1 1 8 2400 1 1 18 ARG C C -3.300 2.680 -0.029 1.00 . A A . 18 ARG C 1 1 8 2401 1 1 18 ARG CA C -3.492 4.063 0.556 1.00 . A A . 18 ARG CA 1 1 8 2402 1 1 18 ARG CB C -4.988 4.490 0.566 1.00 . A A . 18 ARG CB 1 1 8 2403 1 1 18 ARG CD C -6.501 2.432 1.198 1.00 . A A . 18 ARG CD 1 1 8 2404 1 1 18 ARG CG C -5.940 3.817 1.600 1.00 . A A . 18 ARG CG 1 1 8 2405 1 1 18 ARG CZ C -5.860 0.018 1.263 1.00 . A A . 18 ARG CZ 1 1 8 2406 1 1 18 ARG H H -2.960 5.332 -1.142 1.00 . A A . 18 ARG H 1 1 8 2407 1 1 18 ARG HA H -3.103 4.086 1.563 1.00 . A A . 18 ARG HA 1 1 8 2408 1 1 18 ARG HB2 H -5.028 5.554 0.746 1.00 . A A . 18 ARG HB2 1 1 8 2409 1 1 18 ARG HB3 H -5.385 4.308 -0.422 1.00 . A A . 18 ARG HB3 1 1 8 2410 1 1 18 ARG HD2 H -7.348 2.210 1.828 1.00 . A A . 18 ARG HD2 1 1 8 2411 1 1 18 ARG HD3 H -6.838 2.491 0.173 1.00 . A A . 18 ARG HD3 1 1 8 2412 1 1 18 ARG HE H -4.603 1.594 1.458 1.00 . A A . 18 ARG HE 1 1 8 2413 1 1 18 ARG HG2 H -5.399 3.691 2.526 1.00 . A A . 18 ARG HG2 1 1 8 2414 1 1 18 ARG HG3 H -6.768 4.490 1.779 1.00 . A A . 18 ARG HG3 1 1 8 2415 1 1 18 ARG HH11 H -7.840 0.299 0.822 1.00 . A A . 18 ARG HH11 1 1 8 2416 1 1 18 ARG HH12 H -7.389 -1.337 0.898 1.00 . A A . 18 ARG HH12 1 1 8 2417 1 1 18 ARG HH21 H -3.970 -0.609 1.633 1.00 . A A . 18 ARG HH21 1 1 8 2418 1 1 18 ARG HH22 H -5.117 -1.875 1.442 1.00 . A A . 18 ARG HH22 1 1 8 2419 1 1 18 ARG N N -2.740 4.998 -0.249 1.00 . A A . 18 ARG N 1 1 8 2420 1 1 18 ARG NE N -5.542 1.322 1.319 1.00 . A A . 18 ARG NE 1 1 8 2421 1 1 18 ARG NH1 N -7.113 -0.368 0.985 1.00 . A A . 18 ARG NH1 1 1 8 2422 1 1 18 ARG NH2 N -4.916 -0.894 1.455 1.00 . A A . 18 ARG NH2 1 1 8 2423 1 1 18 ARG O O -3.804 2.435 -1.140 1.00 . A A . 18 ARG O 1 1 8 2424 1 1 18 ARG OXT O -2.686 1.818 0.646 1.00 . A A . 18 ARG OXT 1 1 9 2425 1 1 1 LEU C C 7.060 0.480 0.309 1.00 . A A . 1 LEU C 1 1 9 2426 1 1 1 LEU CA C 5.738 1.130 -0.033 1.00 . A A . 1 LEU CA 1 1 9 2427 1 1 1 LEU CB C 5.770 1.877 -1.409 1.00 . A A . 1 LEU CB 1 1 9 2428 1 1 1 LEU CD1 C 8.088 3.003 -1.407 1.00 . A A . 1 LEU CD1 1 1 9 2429 1 1 1 LEU CD2 C 6.250 3.909 -2.835 1.00 . A A . 1 LEU CD2 1 1 9 2430 1 1 1 LEU CG C 6.581 3.206 -1.530 1.00 . A A . 1 LEU CG 1 1 9 2431 1 1 1 LEU H1 H 6.046 2.787 1.169 1.00 . A A . 1 LEU H1 1 1 9 2432 1 1 1 LEU HA H 4.997 0.344 -0.071 1.00 . A A . 1 LEU HA 1 1 9 2433 1 1 1 LEU HB2 H 6.172 1.193 -2.141 1.00 . A A . 1 LEU HB2 1 1 9 2434 1 1 1 LEU HB3 H 4.747 2.086 -1.685 1.00 . A A . 1 LEU HB3 1 1 9 2435 1 1 1 LEU HD11 H 8.589 3.956 -1.501 1.00 . A A . 1 LEU HD11 1 1 9 2436 1 1 1 LEU HD12 H 8.428 2.339 -2.188 1.00 . A A . 1 LEU HD12 1 1 9 2437 1 1 1 LEU HD13 H 8.314 2.570 -0.444 1.00 . A A . 1 LEU HD13 1 1 9 2438 1 1 1 LEU HD21 H 6.815 4.827 -2.903 1.00 . A A . 1 LEU HD21 1 1 9 2439 1 1 1 LEU HD22 H 5.194 4.134 -2.864 1.00 . A A . 1 LEU HD22 1 1 9 2440 1 1 1 LEU HD23 H 6.505 3.268 -3.666 1.00 . A A . 1 LEU HD23 1 1 9 2441 1 1 1 LEU HG H 6.280 3.859 -0.723 1.00 . A A . 1 LEU HG 1 1 9 2442 1 1 1 LEU N N 5.347 2.020 1.047 1.00 . A A . 1 LEU N 1 1 9 2443 1 1 1 LEU O O 7.609 0.750 1.369 1.00 . A A . 1 LEU O 1 1 9 2444 1 1 2 VAL C C 9.224 -1.832 -1.607 1.00 . A A . 2 VAL C 1 1 9 2445 1 1 2 VAL CA C 8.844 -1.061 -0.366 1.00 . A A . 2 VAL CA 1 1 9 2446 1 1 2 VAL CB C 8.887 -1.966 0.933 1.00 . A A . 2 VAL CB 1 1 9 2447 1 1 2 VAL CG1 C 7.809 -3.053 0.938 1.00 . A A . 2 VAL CG1 1 1 9 2448 1 1 2 VAL CG2 C 10.272 -2.576 1.139 1.00 . A A . 2 VAL CG2 1 1 9 2449 1 1 2 VAL H H 7.065 -0.548 -1.404 1.00 . A A . 2 VAL H 1 1 9 2450 1 1 2 VAL HA H 9.573 -0.281 -0.286 1.00 . A A . 2 VAL HA 1 1 9 2451 1 1 2 VAL HB H 8.680 -1.318 1.772 1.00 . A A . 2 VAL HB 1 1 9 2452 1 1 2 VAL HG11 H 7.941 -3.694 0.080 1.00 . A A . 2 VAL HG11 1 1 9 2453 1 1 2 VAL HG12 H 6.833 -2.592 0.894 1.00 . A A . 2 VAL HG12 1 1 9 2454 1 1 2 VAL HG13 H 7.889 -3.639 1.842 1.00 . A A . 2 VAL HG13 1 1 9 2455 1 1 2 VAL HG21 H 10.266 -3.195 2.024 1.00 . A A . 2 VAL HG21 1 1 9 2456 1 1 2 VAL HG22 H 11.001 -1.787 1.254 1.00 . A A . 2 VAL HG22 1 1 9 2457 1 1 2 VAL HG23 H 10.529 -3.178 0.281 1.00 . A A . 2 VAL HG23 1 1 9 2458 1 1 2 VAL N N 7.557 -0.386 -0.570 1.00 . A A . 2 VAL N 1 1 9 2459 1 1 2 VAL O O 10.351 -1.787 -2.095 1.00 . A A . 2 VAL O 1 1 9 2460 1 1 3 ARG C C 7.131 -2.907 -4.145 1.00 . A A . 3 ARG C 1 1 9 2461 1 1 3 ARG CA C 8.340 -3.278 -3.315 1.00 . A A . 3 ARG CA 1 1 9 2462 1 1 3 ARG CB C 8.294 -4.786 -2.977 1.00 . A A . 3 ARG CB 1 1 9 2463 1 1 3 ARG CD C 10.811 -5.372 -2.954 1.00 . A A . 3 ARG CD 1 1 9 2464 1 1 3 ARG CG C 9.481 -5.364 -2.174 1.00 . A A . 3 ARG CG 1 1 9 2465 1 1 3 ARG CZ C 12.465 -3.724 -3.877 1.00 . A A . 3 ARG CZ 1 1 9 2466 1 1 3 ARG H H 7.424 -2.398 -1.628 1.00 . A A . 3 ARG H 1 1 9 2467 1 1 3 ARG HA H 9.249 -3.040 -3.846 1.00 . A A . 3 ARG HA 1 1 9 2468 1 1 3 ARG HB2 H 7.397 -4.969 -2.405 1.00 . A A . 3 ARG HB2 1 1 9 2469 1 1 3 ARG HB3 H 8.214 -5.324 -3.907 1.00 . A A . 3 ARG HB3 1 1 9 2470 1 1 3 ARG HD2 H 11.531 -5.958 -2.404 1.00 . A A . 3 ARG HD2 1 1 9 2471 1 1 3 ARG HD3 H 10.641 -5.834 -3.915 1.00 . A A . 3 ARG HD3 1 1 9 2472 1 1 3 ARG HE H 10.884 -3.294 -2.709 1.00 . A A . 3 ARG HE 1 1 9 2473 1 1 3 ARG HG2 H 9.616 -4.766 -1.285 1.00 . A A . 3 ARG HG2 1 1 9 2474 1 1 3 ARG HG3 H 9.237 -6.376 -1.884 1.00 . A A . 3 ARG HG3 1 1 9 2475 1 1 3 ARG HH11 H 12.881 -5.648 -4.453 1.00 . A A . 3 ARG HH11 1 1 9 2476 1 1 3 ARG HH12 H 13.983 -4.496 -5.040 1.00 . A A . 3 ARG HH12 1 1 9 2477 1 1 3 ARG HH21 H 12.349 -1.729 -3.479 1.00 . A A . 3 ARG HH21 1 1 9 2478 1 1 3 ARG HH22 H 13.671 -2.149 -4.463 1.00 . A A . 3 ARG HH22 1 1 9 2479 1 1 3 ARG N N 8.265 -2.486 -2.112 1.00 . A A . 3 ARG N 1 1 9 2480 1 1 3 ARG NE N 11.370 -4.026 -3.164 1.00 . A A . 3 ARG NE 1 1 9 2481 1 1 3 ARG NH1 N 13.160 -4.686 -4.502 1.00 . A A . 3 ARG NH1 1 1 9 2482 1 1 3 ARG NH2 N 12.865 -2.451 -3.952 1.00 . A A . 3 ARG NH2 1 1 9 2483 1 1 3 ARG O O 6.435 -1.947 -3.795 1.00 . A A . 3 ARG O 1 1 9 2484 1 1 4 GLY C C 4.459 -3.825 -5.296 1.00 . A A . 4 GLY C 1 1 9 2485 1 1 4 GLY CA C 5.708 -3.387 -6.021 1.00 . A A . 4 GLY CA 1 1 9 2486 1 1 4 GLY H H 7.460 -4.384 -5.461 1.00 . A A . 4 GLY H 1 1 9 2487 1 1 4 GLY HA2 H 5.649 -2.331 -6.235 1.00 . A A . 4 GLY HA2 1 1 9 2488 1 1 4 GLY HA3 H 5.788 -3.938 -6.947 1.00 . A A . 4 GLY HA3 1 1 9 2489 1 1 4 GLY N N 6.876 -3.640 -5.210 1.00 . A A . 4 GLY N 1 1 9 2490 1 1 4 GLY O O 4.181 -5.015 -5.185 1.00 . A A . 4 GLY O 1 1 9 2491 1 1 5 CYS C C 1.279 -2.749 -4.708 1.00 . A A . 5 CYS C 1 1 9 2492 1 1 5 CYS CA C 2.557 -3.176 -4.019 1.00 . A A . 5 CYS CA 1 1 9 2493 1 1 5 CYS CB C 2.670 -2.696 -2.540 1.00 . A A . 5 CYS CB 1 1 9 2494 1 1 5 CYS H H 4.016 -1.948 -4.879 1.00 . A A . 5 CYS H 1 1 9 2495 1 1 5 CYS HA H 2.459 -4.250 -4.005 1.00 . A A . 5 CYS HA 1 1 9 2496 1 1 5 CYS HB2 H 1.670 -2.524 -2.169 1.00 . A A . 5 CYS HB2 1 1 9 2497 1 1 5 CYS HB3 H 3.133 -3.474 -1.952 1.00 . A A . 5 CYS HB3 1 1 9 2498 1 1 5 CYS N N 3.739 -2.881 -4.769 1.00 . A A . 5 CYS N 1 1 9 2499 1 1 5 CYS O O 1.262 -1.835 -5.541 1.00 . A A . 5 CYS O 1 1 9 2500 1 1 5 CYS SG S 3.612 -1.129 -2.258 1.00 . A A . 5 CYS SG 1 1 9 2501 1 1 6 TRP C C -2.065 -3.783 -3.875 1.00 . A A . 6 TRP C 1 1 9 2502 1 1 6 TRP CA C -1.077 -3.242 -4.922 1.00 . A A . 6 TRP CA 1 1 9 2503 1 1 6 TRP CB C -1.163 -3.853 -6.350 1.00 . A A . 6 TRP CB 1 1 9 2504 1 1 6 TRP CD1 C -2.313 -6.110 -6.556 1.00 . A A . 6 TRP CD1 1 1 9 2505 1 1 6 TRP CD2 C -3.548 -4.388 -7.241 1.00 . A A . 6 TRP CD2 1 1 9 2506 1 1 6 TRP CE2 C -4.295 -5.558 -7.425 1.00 . A A . 6 TRP CE2 1 1 9 2507 1 1 6 TRP CE3 C -4.104 -3.176 -7.598 1.00 . A A . 6 TRP CE3 1 1 9 2508 1 1 6 TRP CG C -2.299 -4.760 -6.678 1.00 . A A . 6 TRP CG 1 1 9 2509 1 1 6 TRP CH2 C -6.101 -4.317 -8.303 1.00 . A A . 6 TRP CH2 1 1 9 2510 1 1 6 TRP CZ2 C -5.581 -5.539 -7.961 1.00 . A A . 6 TRP CZ2 1 1 9 2511 1 1 6 TRP CZ3 C -5.367 -3.141 -8.122 1.00 . A A . 6 TRP CZ3 1 1 9 2512 1 1 6 TRP H H 0.348 -4.243 -3.816 1.00 . A A . 6 TRP H 1 1 9 2513 1 1 6 TRP HA H -1.200 -2.169 -4.966 1.00 . A A . 6 TRP HA 1 1 9 2514 1 1 6 TRP HB2 H -1.208 -3.035 -7.056 1.00 . A A . 6 TRP HB2 1 1 9 2515 1 1 6 TRP HB3 H -0.241 -4.389 -6.531 1.00 . A A . 6 TRP HB3 1 1 9 2516 1 1 6 TRP HD1 H -1.473 -6.660 -6.151 1.00 . A A . 6 TRP HD1 1 1 9 2517 1 1 6 TRP HE1 H -3.813 -7.544 -7.031 1.00 . A A . 6 TRP HE1 1 1 9 2518 1 1 6 TRP HE3 H -3.558 -2.255 -7.469 1.00 . A A . 6 TRP HE3 1 1 9 2519 1 1 6 TRP HH2 H -7.094 -4.247 -8.720 1.00 . A A . 6 TRP HH2 1 1 9 2520 1 1 6 TRP HZ2 H -6.156 -6.442 -8.104 1.00 . A A . 6 TRP HZ2 1 1 9 2521 1 1 6 TRP HZ3 H -5.782 -2.174 -8.377 1.00 . A A . 6 TRP HZ3 1 1 9 2522 1 1 6 TRP N N 0.239 -3.479 -4.418 1.00 . A A . 6 TRP N 1 1 9 2523 1 1 6 TRP NE1 N -3.521 -6.609 -6.994 1.00 . A A . 6 TRP NE1 1 1 9 2524 1 1 6 TRP O O -1.923 -4.949 -3.426 1.00 . A A . 6 TRP O 1 1 9 2525 1 1 7 THR C C -5.038 -4.133 -2.702 1.00 . A A . 7 THR C 1 1 9 2526 1 1 7 THR CA C -3.847 -3.268 -2.312 1.00 . A A . 7 THR CA 1 1 9 2527 1 1 7 THR CB C -4.329 -1.962 -1.571 1.00 . A A . 7 THR CB 1 1 9 2528 1 1 7 THR CG2 C -3.146 -1.036 -1.304 1.00 . A A . 7 THR CG2 1 1 9 2529 1 1 7 THR H H -3.246 -2.137 -3.938 1.00 . A A . 7 THR H 1 1 9 2530 1 1 7 THR HA H -3.238 -3.835 -1.624 1.00 . A A . 7 THR HA 1 1 9 2531 1 1 7 THR HB H -4.774 -2.233 -0.625 1.00 . A A . 7 THR HB 1 1 9 2532 1 1 7 THR HG1 H -6.153 -1.370 -1.984 1.00 . A A . 7 THR HG1 1 1 9 2533 1 1 7 THR HG21 H -2.713 -0.746 -2.251 1.00 . A A . 7 THR HG21 1 1 9 2534 1 1 7 THR HG22 H -2.401 -1.534 -0.703 1.00 . A A . 7 THR HG22 1 1 9 2535 1 1 7 THR HG23 H -3.492 -0.147 -0.797 1.00 . A A . 7 THR HG23 1 1 9 2536 1 1 7 THR N N -3.012 -2.965 -3.455 1.00 . A A . 7 THR N 1 1 9 2537 1 1 7 THR O O -5.664 -3.937 -3.761 1.00 . A A . 7 THR O 1 1 9 2538 1 1 7 THR OG1 O -5.277 -1.239 -2.361 1.00 . A A . 7 THR OG1 1 1 9 2539 1 1 8 LYS C C -7.585 -5.492 -1.253 1.00 . A A . 8 LYS C 1 1 9 2540 1 1 8 LYS CA C -6.433 -5.997 -2.081 1.00 . A A . 8 LYS CA 1 1 9 2541 1 1 8 LYS CB C -6.100 -7.463 -1.680 1.00 . A A . 8 LYS CB 1 1 9 2542 1 1 8 LYS CD C -3.557 -7.616 -1.653 1.00 . A A . 8 LYS CD 1 1 9 2543 1 1 8 LYS CE C -2.321 -8.177 -2.341 1.00 . A A . 8 LYS CE 1 1 9 2544 1 1 8 LYS CG C -4.849 -8.078 -2.332 1.00 . A A . 8 LYS CG 1 1 9 2545 1 1 8 LYS H H -4.830 -5.188 -1.023 1.00 . A A . 8 LYS H 1 1 9 2546 1 1 8 LYS HA H -6.697 -5.953 -3.126 1.00 . A A . 8 LYS HA 1 1 9 2547 1 1 8 LYS HB2 H -5.961 -7.499 -0.610 1.00 . A A . 8 LYS HB2 1 1 9 2548 1 1 8 LYS HB3 H -6.950 -8.081 -1.931 1.00 . A A . 8 LYS HB3 1 1 9 2549 1 1 8 LYS HD2 H -3.511 -6.538 -1.690 1.00 . A A . 8 LYS HD2 1 1 9 2550 1 1 8 LYS HD3 H -3.567 -7.941 -0.623 1.00 . A A . 8 LYS HD3 1 1 9 2551 1 1 8 LYS HE2 H -1.447 -7.901 -1.770 1.00 . A A . 8 LYS HE2 1 1 9 2552 1 1 8 LYS HE3 H -2.400 -9.253 -2.379 1.00 . A A . 8 LYS HE3 1 1 9 2553 1 1 8 LYS HG2 H -4.910 -9.154 -2.263 1.00 . A A . 8 LYS HG2 1 1 9 2554 1 1 8 LYS HG3 H -4.823 -7.788 -3.373 1.00 . A A . 8 LYS HG3 1 1 9 2555 1 1 8 LYS HZ1 H -3.013 -7.874 -4.293 1.00 . A A . 8 LYS HZ1 1 1 9 2556 1 1 8 LYS HZ2 H -1.327 -8.046 -4.179 1.00 . A A . 8 LYS HZ2 1 1 9 2557 1 1 8 LYS HZ3 H -2.078 -6.614 -3.683 1.00 . A A . 8 LYS HZ3 1 1 9 2558 1 1 8 LYS N N -5.333 -5.103 -1.857 1.00 . A A . 8 LYS N 1 1 9 2559 1 1 8 LYS NZ N -2.175 -7.654 -3.721 1.00 . A A . 8 LYS NZ 1 1 9 2560 1 1 8 LYS O O -7.562 -5.577 -0.029 1.00 . A A . 8 LYS O 1 1 9 2561 1 1 9 SER C C -10.821 -4.401 -2.235 1.00 . A A . 9 SER C 1 1 9 2562 1 1 9 SER CA C -9.672 -4.328 -1.252 1.00 . A A . 9 SER CA 1 1 9 2563 1 1 9 SER CB C -9.362 -2.861 -0.886 1.00 . A A . 9 SER CB 1 1 9 2564 1 1 9 SER H H -8.502 -4.832 -2.876 1.00 . A A . 9 SER H 1 1 9 2565 1 1 9 SER HA H -9.899 -4.890 -0.358 1.00 . A A . 9 SER HA 1 1 9 2566 1 1 9 SER HB2 H -9.217 -2.289 -1.790 1.00 . A A . 9 SER HB2 1 1 9 2567 1 1 9 SER HB3 H -10.188 -2.449 -0.326 1.00 . A A . 9 SER HB3 1 1 9 2568 1 1 9 SER HG H -7.975 -3.673 0.202 1.00 . A A . 9 SER HG 1 1 9 2569 1 1 9 SER N N -8.527 -4.899 -1.899 1.00 . A A . 9 SER N 1 1 9 2570 1 1 9 SER O O -10.693 -5.057 -3.273 1.00 . A A . 9 SER O 1 1 9 2571 1 1 9 SER OG O -8.180 -2.776 -0.091 1.00 . A A . 9 SER OG 1 1 9 2572 1 1 10 TYR C C -13.496 -2.248 -2.825 1.00 . A A . 10 TYR C 1 1 9 2573 1 1 10 TYR CA C -13.021 -3.699 -2.798 1.00 . A A . 10 TYR CA 1 1 9 2574 1 1 10 TYR CB C -14.143 -4.601 -2.321 1.00 . A A . 10 TYR CB 1 1 9 2575 1 1 10 TYR CD1 C -14.041 -6.729 -3.675 1.00 . A A . 10 TYR CD1 1 1 9 2576 1 1 10 TYR CD2 C -13.453 -6.840 -1.367 1.00 . A A . 10 TYR CD2 1 1 9 2577 1 1 10 TYR CE1 C -13.796 -8.082 -3.806 1.00 . A A . 10 TYR CE1 1 1 9 2578 1 1 10 TYR CE2 C -13.205 -8.193 -1.491 1.00 . A A . 10 TYR CE2 1 1 9 2579 1 1 10 TYR CG C -13.875 -6.085 -2.456 1.00 . A A . 10 TYR CG 1 1 9 2580 1 1 10 TYR CZ C -13.378 -8.809 -2.711 1.00 . A A . 10 TYR CZ 1 1 9 2581 1 1 10 TYR H H -12.114 -3.363 -1.059 1.00 . A A . 10 TYR H 1 1 9 2582 1 1 10 TYR HA H -12.693 -4.017 -3.780 1.00 . A A . 10 TYR HA 1 1 9 2583 1 1 10 TYR HB2 H -14.310 -4.390 -1.274 1.00 . A A . 10 TYR HB2 1 1 9 2584 1 1 10 TYR HB3 H -15.019 -4.328 -2.872 1.00 . A A . 10 TYR HB3 1 1 9 2585 1 1 10 TYR HD1 H -14.367 -6.157 -4.531 1.00 . A A . 10 TYR HD1 1 1 9 2586 1 1 10 TYR HD2 H -13.319 -6.355 -0.412 1.00 . A A . 10 TYR HD2 1 1 9 2587 1 1 10 TYR HE1 H -13.932 -8.566 -4.763 1.00 . A A . 10 TYR HE1 1 1 9 2588 1 1 10 TYR HE2 H -12.878 -8.763 -0.633 1.00 . A A . 10 TYR HE2 1 1 9 2589 1 1 10 TYR HH H -12.620 -10.311 -3.635 1.00 . A A . 10 TYR HH 1 1 9 2590 1 1 10 TYR N N -11.930 -3.789 -1.918 1.00 . A A . 10 TYR N 1 1 9 2591 1 1 10 TYR O O -14.090 -1.783 -1.862 1.00 . A A . 10 TYR O 1 1 9 2592 1 1 10 TYR OH O -13.132 -10.155 -2.839 1.00 . A A . 10 TYR OH 1 1 9 2593 1 1 11 PRO C C -10.870 -1.998 -4.690 1.00 . A A . 11 PRO C 1 1 9 2594 1 1 11 PRO CA C -12.371 -1.983 -4.993 1.00 . A A . 11 PRO CA 1 1 9 2595 1 1 11 PRO CB C -12.661 -1.000 -6.125 1.00 . A A . 11 PRO CB 1 1 9 2596 1 1 11 PRO CD C -13.595 -0.123 -4.107 1.00 . A A . 11 PRO CD 1 1 9 2597 1 1 11 PRO CG C -13.714 -0.074 -5.603 1.00 . A A . 11 PRO CG 1 1 9 2598 1 1 11 PRO HA H -12.692 -2.966 -5.300 1.00 . A A . 11 PRO HA 1 1 9 2599 1 1 11 PRO HB2 H -11.742 -0.498 -6.392 1.00 . A A . 11 PRO HB2 1 1 9 2600 1 1 11 PRO HB3 H -13.031 -1.600 -6.942 1.00 . A A . 11 PRO HB3 1 1 9 2601 1 1 11 PRO HD2 H -12.845 0.573 -3.761 1.00 . A A . 11 PRO HD2 1 1 9 2602 1 1 11 PRO HD3 H -14.548 0.072 -3.636 1.00 . A A . 11 PRO HD3 1 1 9 2603 1 1 11 PRO HG2 H -13.538 0.926 -5.971 1.00 . A A . 11 PRO HG2 1 1 9 2604 1 1 11 PRO HG3 H -14.694 -0.420 -5.897 1.00 . A A . 11 PRO HG3 1 1 9 2605 1 1 11 PRO N N -13.176 -1.499 -3.886 1.00 . A A . 11 PRO N 1 1 9 2606 1 1 11 PRO O O -10.380 -1.247 -3.843 1.00 . A A . 11 PRO O 1 1 9 2607 1 1 12 PRO C C -7.996 -1.908 -5.982 1.00 . A A . 12 PRO C 1 1 9 2608 1 1 12 PRO CA C -8.706 -3.014 -5.199 1.00 . A A . 12 PRO CA 1 1 9 2609 1 1 12 PRO CB C -8.404 -4.400 -5.776 1.00 . A A . 12 PRO CB 1 1 9 2610 1 1 12 PRO CD C -10.708 -3.869 -6.287 1.00 . A A . 12 PRO CD 1 1 9 2611 1 1 12 PRO CG C -9.527 -4.699 -6.722 1.00 . A A . 12 PRO CG 1 1 9 2612 1 1 12 PRO HA H -8.410 -2.961 -4.161 1.00 . A A . 12 PRO HA 1 1 9 2613 1 1 12 PRO HB2 H -7.452 -4.378 -6.286 1.00 . A A . 12 PRO HB2 1 1 9 2614 1 1 12 PRO HB3 H -8.393 -5.139 -4.989 1.00 . A A . 12 PRO HB3 1 1 9 2615 1 1 12 PRO HD2 H -11.177 -3.343 -7.100 1.00 . A A . 12 PRO HD2 1 1 9 2616 1 1 12 PRO HD3 H -11.489 -4.435 -5.808 1.00 . A A . 12 PRO HD3 1 1 9 2617 1 1 12 PRO HG2 H -9.230 -4.436 -7.727 1.00 . A A . 12 PRO HG2 1 1 9 2618 1 1 12 PRO HG3 H -9.785 -5.746 -6.669 1.00 . A A . 12 PRO HG3 1 1 9 2619 1 1 12 PRO N N -10.151 -2.898 -5.342 1.00 . A A . 12 PRO N 1 1 9 2620 1 1 12 PRO O O -8.493 -1.461 -7.026 1.00 . A A . 12 PRO O 1 1 9 2621 1 1 13 LYS C C -4.688 -0.505 -5.867 1.00 . A A . 13 LYS C 1 1 9 2622 1 1 13 LYS CA C -6.196 -0.326 -6.093 1.00 . A A . 13 LYS CA 1 1 9 2623 1 1 13 LYS CB C -6.779 0.925 -5.374 1.00 . A A . 13 LYS CB 1 1 9 2624 1 1 13 LYS CD C -5.094 2.820 -5.662 1.00 . A A . 13 LYS CD 1 1 9 2625 1 1 13 LYS CE C -4.923 3.146 -4.179 1.00 . A A . 13 LYS CE 1 1 9 2626 1 1 13 LYS CG C -6.488 2.310 -5.974 1.00 . A A . 13 LYS CG 1 1 9 2627 1 1 13 LYS H H -6.397 -1.903 -4.743 1.00 . A A . 13 LYS H 1 1 9 2628 1 1 13 LYS HA H -6.424 -0.285 -7.147 1.00 . A A . 13 LYS HA 1 1 9 2629 1 1 13 LYS HB2 H -7.851 0.812 -5.313 1.00 . A A . 13 LYS HB2 1 1 9 2630 1 1 13 LYS HB3 H -6.374 0.881 -4.376 1.00 . A A . 13 LYS HB3 1 1 9 2631 1 1 13 LYS HD2 H -4.405 2.032 -5.934 1.00 . A A . 13 LYS HD2 1 1 9 2632 1 1 13 LYS HD3 H -4.894 3.701 -6.255 1.00 . A A . 13 LYS HD3 1 1 9 2633 1 1 13 LYS HE2 H -5.586 3.959 -3.920 1.00 . A A . 13 LYS HE2 1 1 9 2634 1 1 13 LYS HE3 H -5.171 2.279 -3.587 1.00 . A A . 13 LYS HE3 1 1 9 2635 1 1 13 LYS HG2 H -6.611 2.265 -7.045 1.00 . A A . 13 LYS HG2 1 1 9 2636 1 1 13 LYS HG3 H -7.214 2.994 -5.563 1.00 . A A . 13 LYS HG3 1 1 9 2637 1 1 13 LYS HZ1 H -3.225 4.356 -4.452 1.00 . A A . 13 LYS HZ1 1 1 9 2638 1 1 13 LYS HZ2 H -2.908 2.741 -4.100 1.00 . A A . 13 LYS HZ2 1 1 9 2639 1 1 13 LYS HZ3 H -3.411 3.772 -2.865 1.00 . A A . 13 LYS HZ3 1 1 9 2640 1 1 13 LYS N N -6.856 -1.464 -5.499 1.00 . A A . 13 LYS N 1 1 9 2641 1 1 13 LYS NZ N -3.530 3.552 -3.872 1.00 . A A . 13 LYS NZ 1 1 9 2642 1 1 13 LYS O O -4.311 -1.152 -4.923 1.00 . A A . 13 LYS O 1 1 9 2643 1 1 14 PRO C C -1.854 0.505 -5.231 1.00 . A A . 14 PRO C 1 1 9 2644 1 1 14 PRO CA C -2.335 -0.141 -6.560 1.00 . A A . 14 PRO CA 1 1 9 2645 1 1 14 PRO CB C -1.728 0.563 -7.781 1.00 . A A . 14 PRO CB 1 1 9 2646 1 1 14 PRO CD C -4.101 0.575 -8.076 1.00 . A A . 14 PRO CD 1 1 9 2647 1 1 14 PRO CG C -2.849 1.348 -8.380 1.00 . A A . 14 PRO CG 1 1 9 2648 1 1 14 PRO HA H -2.041 -1.180 -6.551 1.00 . A A . 14 PRO HA 1 1 9 2649 1 1 14 PRO HB2 H -0.904 1.181 -7.458 1.00 . A A . 14 PRO HB2 1 1 9 2650 1 1 14 PRO HB3 H -1.381 -0.170 -8.494 1.00 . A A . 14 PRO HB3 1 1 9 2651 1 1 14 PRO HD2 H -4.952 1.238 -8.013 1.00 . A A . 14 PRO HD2 1 1 9 2652 1 1 14 PRO HD3 H -4.269 -0.189 -8.820 1.00 . A A . 14 PRO HD3 1 1 9 2653 1 1 14 PRO HG2 H -2.886 2.330 -7.930 1.00 . A A . 14 PRO HG2 1 1 9 2654 1 1 14 PRO HG3 H -2.724 1.425 -9.449 1.00 . A A . 14 PRO HG3 1 1 9 2655 1 1 14 PRO N N -3.793 -0.025 -6.769 1.00 . A A . 14 PRO N 1 1 9 2656 1 1 14 PRO O O -2.637 1.094 -4.484 1.00 . A A . 14 PRO O 1 1 9 2657 1 1 15 CYS C C -0.055 2.415 -3.611 1.00 . A A . 15 CYS C 1 1 9 2658 1 1 15 CYS CA C -0.017 0.877 -3.713 1.00 . A A . 15 CYS CA 1 1 9 2659 1 1 15 CYS CB C 1.416 0.340 -3.624 1.00 . A A . 15 CYS CB 1 1 9 2660 1 1 15 CYS H H 0.053 0.008 -5.579 1.00 . A A . 15 CYS H 1 1 9 2661 1 1 15 CYS HA H -0.587 0.454 -2.899 1.00 . A A . 15 CYS HA 1 1 9 2662 1 1 15 CYS HB2 H 1.360 -0.697 -3.924 1.00 . A A . 15 CYS HB2 1 1 9 2663 1 1 15 CYS HB3 H 2.081 0.822 -4.322 1.00 . A A . 15 CYS HB3 1 1 9 2664 1 1 15 CYS N N -0.583 0.412 -4.954 1.00 . A A . 15 CYS N 1 1 9 2665 1 1 15 CYS O O -0.696 3.120 -4.420 1.00 . A A . 15 CYS O 1 1 9 2666 1 1 15 CYS SG S 2.206 0.310 -1.997 1.00 . A A . 15 CYS SG 1 1 9 2667 1 1 16 PHE C C 2.017 4.827 -2.699 1.00 . A A . 16 PHE C 1 1 9 2668 1 1 16 PHE CA C 0.628 4.325 -2.356 1.00 . A A . 16 PHE CA 1 1 9 2669 1 1 16 PHE CB C 0.284 4.639 -0.893 1.00 . A A . 16 PHE CB 1 1 9 2670 1 1 16 PHE CD1 C -2.188 5.070 -0.748 1.00 . A A . 16 PHE CD1 1 1 9 2671 1 1 16 PHE CD2 C -1.350 3.007 0.111 1.00 . A A . 16 PHE CD2 1 1 9 2672 1 1 16 PHE CE1 C -3.471 4.699 -0.395 1.00 . A A . 16 PHE CE1 1 1 9 2673 1 1 16 PHE CE2 C -2.631 2.632 0.467 1.00 . A A . 16 PHE CE2 1 1 9 2674 1 1 16 PHE CG C -1.113 4.230 -0.501 1.00 . A A . 16 PHE CG 1 1 9 2675 1 1 16 PHE CZ C -3.693 3.479 0.213 1.00 . A A . 16 PHE CZ 1 1 9 2676 1 1 16 PHE H H 1.004 2.263 -2.016 1.00 . A A . 16 PHE H 1 1 9 2677 1 1 16 PHE HA H -0.089 4.812 -2.999 1.00 . A A . 16 PHE HA 1 1 9 2678 1 1 16 PHE HB2 H 0.976 4.116 -0.249 1.00 . A A . 16 PHE HB2 1 1 9 2679 1 1 16 PHE HB3 H 0.382 5.702 -0.728 1.00 . A A . 16 PHE HB3 1 1 9 2680 1 1 16 PHE HD1 H -2.015 6.024 -1.224 1.00 . A A . 16 PHE HD1 1 1 9 2681 1 1 16 PHE HD2 H -0.520 2.345 0.309 1.00 . A A . 16 PHE HD2 1 1 9 2682 1 1 16 PHE HE1 H -4.299 5.363 -0.593 1.00 . A A . 16 PHE HE1 1 1 9 2683 1 1 16 PHE HE2 H -2.802 1.677 0.941 1.00 . A A . 16 PHE HE2 1 1 9 2684 1 1 16 PHE HZ H -4.695 3.187 0.490 1.00 . A A . 16 PHE HZ 1 1 9 2685 1 1 16 PHE N N 0.554 2.907 -2.602 1.00 . A A . 16 PHE N 1 1 9 2686 1 1 16 PHE O O 2.899 4.038 -2.991 1.00 . A A . 16 PHE O 1 1 9 2687 1 1 17 VAL C C 4.269 6.975 -1.635 1.00 . A A . 17 VAL C 1 1 9 2688 1 1 17 VAL CA C 3.493 6.750 -2.952 1.00 . A A . 17 VAL CA 1 1 9 2689 1 1 17 VAL CB C 3.279 8.090 -3.739 1.00 . A A . 17 VAL CB 1 1 9 2690 1 1 17 VAL CG1 C 2.606 9.162 -2.884 1.00 . A A . 17 VAL CG1 1 1 9 2691 1 1 17 VAL CG2 C 4.571 8.600 -4.381 1.00 . A A . 17 VAL CG2 1 1 9 2692 1 1 17 VAL H H 1.464 6.713 -2.375 1.00 . A A . 17 VAL H 1 1 9 2693 1 1 17 VAL HA H 4.048 6.050 -3.555 1.00 . A A . 17 VAL HA 1 1 9 2694 1 1 17 VAL HB H 2.579 7.859 -4.531 1.00 . A A . 17 VAL HB 1 1 9 2695 1 1 17 VAL HG11 H 1.637 8.811 -2.561 1.00 . A A . 17 VAL HG11 1 1 9 2696 1 1 17 VAL HG12 H 2.487 10.065 -3.464 1.00 . A A . 17 VAL HG12 1 1 9 2697 1 1 17 VAL HG13 H 3.220 9.366 -2.020 1.00 . A A . 17 VAL HG13 1 1 9 2698 1 1 17 VAL HG21 H 4.940 7.866 -5.083 1.00 . A A . 17 VAL HG21 1 1 9 2699 1 1 17 VAL HG22 H 5.311 8.769 -3.612 1.00 . A A . 17 VAL HG22 1 1 9 2700 1 1 17 VAL HG23 H 4.375 9.526 -4.900 1.00 . A A . 17 VAL HG23 1 1 9 2701 1 1 17 VAL N N 2.203 6.131 -2.639 1.00 . A A . 17 VAL N 1 1 9 2702 1 1 17 VAL O O 5.252 7.729 -1.547 1.00 . A A . 17 VAL O 1 1 9 2703 1 1 18 ARG C C 4.662 4.916 1.075 1.00 . A A . 18 ARG C 1 1 9 2704 1 1 18 ARG CA C 4.374 6.319 0.681 1.00 . A A . 18 ARG CA 1 1 9 2705 1 1 18 ARG CB C 3.409 6.981 1.688 1.00 . A A . 18 ARG CB 1 1 9 2706 1 1 18 ARG CD C 4.450 9.325 1.774 1.00 . A A . 18 ARG CD 1 1 9 2707 1 1 18 ARG CG C 3.181 8.492 1.499 1.00 . A A . 18 ARG CG 1 1 9 2708 1 1 18 ARG CZ C 6.823 9.321 0.968 1.00 . A A . 18 ARG CZ 1 1 9 2709 1 1 18 ARG H H 3.124 5.622 -0.808 1.00 . A A . 18 ARG H 1 1 9 2710 1 1 18 ARG HA H 5.301 6.871 0.649 1.00 . A A . 18 ARG HA 1 1 9 2711 1 1 18 ARG HB2 H 2.449 6.491 1.610 1.00 . A A . 18 ARG HB2 1 1 9 2712 1 1 18 ARG HB3 H 3.794 6.820 2.684 1.00 . A A . 18 ARG HB3 1 1 9 2713 1 1 18 ARG HD2 H 4.195 10.373 1.720 1.00 . A A . 18 ARG HD2 1 1 9 2714 1 1 18 ARG HD3 H 4.802 9.095 2.768 1.00 . A A . 18 ARG HD3 1 1 9 2715 1 1 18 ARG HE H 5.233 8.599 -0.017 1.00 . A A . 18 ARG HE 1 1 9 2716 1 1 18 ARG HG2 H 2.872 8.668 0.479 1.00 . A A . 18 ARG HG2 1 1 9 2717 1 1 18 ARG HG3 H 2.397 8.812 2.169 1.00 . A A . 18 ARG HG3 1 1 9 2718 1 1 18 ARG HH11 H 6.621 10.228 2.785 1.00 . A A . 18 ARG HH11 1 1 9 2719 1 1 18 ARG HH12 H 8.227 10.160 2.220 1.00 . A A . 18 ARG HH12 1 1 9 2720 1 1 18 ARG HH21 H 7.333 8.472 -0.799 1.00 . A A . 18 ARG HH21 1 1 9 2721 1 1 18 ARG HH22 H 8.668 9.099 0.058 1.00 . A A . 18 ARG HH22 1 1 9 2722 1 1 18 ARG N N 3.828 6.280 -0.640 1.00 . A A . 18 ARG N 1 1 9 2723 1 1 18 ARG NE N 5.528 9.052 0.811 1.00 . A A . 18 ARG NE 1 1 9 2724 1 1 18 ARG NH1 N 7.261 9.950 2.067 1.00 . A A . 18 ARG NH1 1 1 9 2725 1 1 18 ARG NH2 N 7.679 8.949 0.017 1.00 . A A . 18 ARG NH2 1 1 9 2726 1 1 18 ARG O O 5.829 4.578 1.291 1.00 . A A . 18 ARG O 1 1 9 2727 1 1 18 ARG OXT O 3.722 4.089 1.029 1.00 . A A . 18 ARG OXT 1 1 10 2728 1 1 1 LEU C C 8.027 2.941 -8.715 1.00 . A A . 1 LEU C 1 1 10 2729 1 1 1 LEU CA C 7.211 4.113 -9.228 1.00 . A A . 1 LEU CA 1 1 10 2730 1 1 1 LEU CB C 8.055 4.985 -10.180 1.00 . A A . 1 LEU CB 1 1 10 2731 1 1 1 LEU CD1 C 7.272 4.014 -12.375 1.00 . A A . 1 LEU CD1 1 1 10 2732 1 1 1 LEU CD2 C 9.440 5.263 -12.259 1.00 . A A . 1 LEU CD2 1 1 10 2733 1 1 1 LEU CG C 8.483 4.348 -11.512 1.00 . A A . 1 LEU CG 1 1 10 2734 1 1 1 LEU H1 H 6.241 5.748 -8.322 1.00 . A A . 1 LEU H1 1 1 10 2735 1 1 1 LEU HA H 6.334 3.746 -9.740 1.00 . A A . 1 LEU HA 1 1 10 2736 1 1 1 LEU HB2 H 7.487 5.876 -10.405 1.00 . A A . 1 LEU HB2 1 1 10 2737 1 1 1 LEU HB3 H 8.948 5.281 -9.649 1.00 . A A . 1 LEU HB3 1 1 10 2738 1 1 1 LEU HD11 H 6.717 4.917 -12.580 1.00 . A A . 1 LEU HD11 1 1 10 2739 1 1 1 LEU HD12 H 6.639 3.309 -11.857 1.00 . A A . 1 LEU HD12 1 1 10 2740 1 1 1 LEU HD13 H 7.605 3.578 -13.305 1.00 . A A . 1 LEU HD13 1 1 10 2741 1 1 1 LEU HD21 H 10.320 5.433 -11.657 1.00 . A A . 1 LEU HD21 1 1 10 2742 1 1 1 LEU HD22 H 8.953 6.205 -12.461 1.00 . A A . 1 LEU HD22 1 1 10 2743 1 1 1 LEU HD23 H 9.727 4.799 -13.192 1.00 . A A . 1 LEU HD23 1 1 10 2744 1 1 1 LEU HG H 8.993 3.418 -11.306 1.00 . A A . 1 LEU HG 1 1 10 2745 1 1 1 LEU N N 6.788 4.904 -8.079 1.00 . A A . 1 LEU N 1 1 10 2746 1 1 1 LEU O O 8.596 3.037 -7.631 1.00 . A A . 1 LEU O 1 1 10 2747 1 1 2 VAL C C 8.095 -0.091 -7.910 1.00 . A A . 2 VAL C 1 1 10 2748 1 1 2 VAL CA C 8.789 0.601 -9.121 1.00 . A A . 2 VAL CA 1 1 10 2749 1 1 2 VAL CB C 10.318 0.867 -8.836 1.00 . A A . 2 VAL CB 1 1 10 2750 1 1 2 VAL CG1 C 11.070 -0.425 -8.606 1.00 . A A . 2 VAL CG1 1 1 10 2751 1 1 2 VAL CG2 C 10.964 1.642 -9.982 1.00 . A A . 2 VAL CG2 1 1 10 2752 1 1 2 VAL H H 7.610 1.815 -10.346 1.00 . A A . 2 VAL H 1 1 10 2753 1 1 2 VAL HA H 8.695 -0.067 -9.966 1.00 . A A . 2 VAL HA 1 1 10 2754 1 1 2 VAL HB H 10.386 1.466 -7.941 1.00 . A A . 2 VAL HB 1 1 10 2755 1 1 2 VAL HG11 H 10.974 -1.026 -9.499 1.00 . A A . 2 VAL HG11 1 1 10 2756 1 1 2 VAL HG12 H 10.625 -0.946 -7.773 1.00 . A A . 2 VAL HG12 1 1 10 2757 1 1 2 VAL HG13 H 12.111 -0.218 -8.411 1.00 . A A . 2 VAL HG13 1 1 10 2758 1 1 2 VAL HG21 H 10.489 2.607 -10.077 1.00 . A A . 2 VAL HG21 1 1 10 2759 1 1 2 VAL HG22 H 10.852 1.088 -10.902 1.00 . A A . 2 VAL HG22 1 1 10 2760 1 1 2 VAL HG23 H 12.015 1.779 -9.773 1.00 . A A . 2 VAL HG23 1 1 10 2761 1 1 2 VAL N N 8.071 1.831 -9.486 1.00 . A A . 2 VAL N 1 1 10 2762 1 1 2 VAL O O 7.483 0.587 -7.082 1.00 . A A . 2 VAL O 1 1 10 2763 1 1 3 ARG C C 6.104 -2.403 -7.049 1.00 . A A . 3 ARG C 1 1 10 2764 1 1 3 ARG CA C 7.600 -2.262 -6.795 1.00 . A A . 3 ARG CA 1 1 10 2765 1 1 3 ARG CB C 7.870 -1.729 -5.400 1.00 . A A . 3 ARG CB 1 1 10 2766 1 1 3 ARG CD C 9.566 -0.460 -4.068 1.00 . A A . 3 ARG CD 1 1 10 2767 1 1 3 ARG CG C 9.340 -1.621 -5.024 1.00 . A A . 3 ARG CG 1 1 10 2768 1 1 3 ARG CZ C 9.536 2.048 -4.250 1.00 . A A . 3 ARG CZ 1 1 10 2769 1 1 3 ARG H H 8.773 -1.931 -8.446 1.00 . A A . 3 ARG H 1 1 10 2770 1 1 3 ARG HA H 8.040 -3.244 -6.887 1.00 . A A . 3 ARG HA 1 1 10 2771 1 1 3 ARG HB2 H 7.381 -0.777 -5.253 1.00 . A A . 3 ARG HB2 1 1 10 2772 1 1 3 ARG HB3 H 7.421 -2.481 -4.780 1.00 . A A . 3 ARG HB3 1 1 10 2773 1 1 3 ARG HD2 H 8.935 -0.591 -3.200 1.00 . A A . 3 ARG HD2 1 1 10 2774 1 1 3 ARG HD3 H 10.603 -0.446 -3.766 1.00 . A A . 3 ARG HD3 1 1 10 2775 1 1 3 ARG HE H 8.781 0.746 -5.588 1.00 . A A . 3 ARG HE 1 1 10 2776 1 1 3 ARG HG2 H 9.654 -2.539 -4.549 1.00 . A A . 3 ARG HG2 1 1 10 2777 1 1 3 ARG HG3 H 9.921 -1.458 -5.919 1.00 . A A . 3 ARG HG3 1 1 10 2778 1 1 3 ARG HH11 H 10.278 1.418 -2.451 1.00 . A A . 3 ARG HH11 1 1 10 2779 1 1 3 ARG HH12 H 10.286 3.113 -2.685 1.00 . A A . 3 ARG HH12 1 1 10 2780 1 1 3 ARG HH21 H 8.878 3.040 -5.914 1.00 . A A . 3 ARG HH21 1 1 10 2781 1 1 3 ARG HH22 H 9.437 4.071 -4.710 1.00 . A A . 3 ARG HH22 1 1 10 2782 1 1 3 ARG N N 8.221 -1.437 -7.816 1.00 . A A . 3 ARG N 1 1 10 2783 1 1 3 ARG NE N 9.241 0.826 -4.718 1.00 . A A . 3 ARG NE 1 1 10 2784 1 1 3 ARG NH1 N 10.077 2.201 -3.041 1.00 . A A . 3 ARG NH1 1 1 10 2785 1 1 3 ARG NH2 N 9.280 3.110 -4.992 1.00 . A A . 3 ARG NH2 1 1 10 2786 1 1 3 ARG O O 5.331 -1.468 -6.842 1.00 . A A . 3 ARG O 1 1 10 2787 1 1 4 GLY C C 3.533 -4.088 -6.562 1.00 . A A . 4 GLY C 1 1 10 2788 1 1 4 GLY CA C 4.321 -3.825 -7.819 1.00 . A A . 4 GLY CA 1 1 10 2789 1 1 4 GLY H H 6.362 -4.284 -7.672 1.00 . A A . 4 GLY H 1 1 10 2790 1 1 4 GLY HA2 H 3.903 -2.967 -8.327 1.00 . A A . 4 GLY HA2 1 1 10 2791 1 1 4 GLY HA3 H 4.249 -4.689 -8.463 1.00 . A A . 4 GLY HA3 1 1 10 2792 1 1 4 GLY N N 5.712 -3.567 -7.528 1.00 . A A . 4 GLY N 1 1 10 2793 1 1 4 GLY O O 3.405 -5.222 -6.130 1.00 . A A . 4 GLY O 1 1 10 2794 1 1 5 CYS C C 0.853 -2.786 -5.046 1.00 . A A . 5 CYS C 1 1 10 2795 1 1 5 CYS CA C 2.284 -3.137 -4.765 1.00 . A A . 5 CYS CA 1 1 10 2796 1 1 5 CYS CB C 2.874 -2.211 -3.717 1.00 . A A . 5 CYS CB 1 1 10 2797 1 1 5 CYS H H 3.206 -2.157 -6.361 1.00 . A A . 5 CYS H 1 1 10 2798 1 1 5 CYS HA H 2.299 -4.136 -4.367 1.00 . A A . 5 CYS HA 1 1 10 2799 1 1 5 CYS HB2 H 3.925 -2.411 -3.671 1.00 . A A . 5 CYS HB2 1 1 10 2800 1 1 5 CYS HB3 H 2.792 -1.189 -4.039 1.00 . A A . 5 CYS HB3 1 1 10 2801 1 1 5 CYS N N 3.043 -3.042 -5.970 1.00 . A A . 5 CYS N 1 1 10 2802 1 1 5 CYS O O 0.563 -1.694 -5.519 1.00 . A A . 5 CYS O 1 1 10 2803 1 1 5 CYS SG S 2.164 -2.392 -2.037 1.00 . A A . 5 CYS SG 1 1 10 2804 1 1 6 TRP C C -2.119 -3.765 -3.636 1.00 . A A . 6 TRP C 1 1 10 2805 1 1 6 TRP CA C -1.432 -3.536 -4.974 1.00 . A A . 6 TRP CA 1 1 10 2806 1 1 6 TRP CB C -1.932 -4.548 -5.965 1.00 . A A . 6 TRP CB 1 1 10 2807 1 1 6 TRP CD1 C -1.152 -4.384 -8.396 1.00 . A A . 6 TRP CD1 1 1 10 2808 1 1 6 TRP CD2 C -3.151 -3.456 -8.011 1.00 . A A . 6 TRP CD2 1 1 10 2809 1 1 6 TRP CE2 C -2.842 -3.301 -9.375 1.00 . A A . 6 TRP CE2 1 1 10 2810 1 1 6 TRP CE3 C -4.358 -2.951 -7.534 1.00 . A A . 6 TRP CE3 1 1 10 2811 1 1 6 TRP CG C -2.055 -4.145 -7.400 1.00 . A A . 6 TRP CG 1 1 10 2812 1 1 6 TRP CH2 C -4.873 -2.166 -9.765 1.00 . A A . 6 TRP CH2 1 1 10 2813 1 1 6 TRP CZ2 C -3.701 -2.660 -10.266 1.00 . A A . 6 TRP CZ2 1 1 10 2814 1 1 6 TRP CZ3 C -5.203 -2.308 -8.413 1.00 . A A . 6 TRP CZ3 1 1 10 2815 1 1 6 TRP H H 0.241 -4.592 -4.450 1.00 . A A . 6 TRP H 1 1 10 2816 1 1 6 TRP HA H -1.534 -2.550 -5.387 1.00 . A A . 6 TRP HA 1 1 10 2817 1 1 6 TRP HB2 H -1.008 -5.089 -5.996 1.00 . A A . 6 TRP HB2 1 1 10 2818 1 1 6 TRP HB3 H -2.753 -5.147 -5.608 1.00 . A A . 6 TRP HB3 1 1 10 2819 1 1 6 TRP HD1 H -0.212 -4.896 -8.256 1.00 . A A . 6 TRP HD1 1 1 10 2820 1 1 6 TRP HE1 H -1.151 -3.928 -10.445 1.00 . A A . 6 TRP HE1 1 1 10 2821 1 1 6 TRP HE3 H -4.631 -3.049 -6.494 1.00 . A A . 6 TRP HE3 1 1 10 2822 1 1 6 TRP HH2 H -5.568 -1.654 -10.415 1.00 . A A . 6 TRP HH2 1 1 10 2823 1 1 6 TRP HZ2 H -3.457 -2.544 -11.312 1.00 . A A . 6 TRP HZ2 1 1 10 2824 1 1 6 TRP HZ3 H -6.122 -1.879 -8.038 1.00 . A A . 6 TRP HZ3 1 1 10 2825 1 1 6 TRP N N -0.027 -3.716 -4.797 1.00 . A A . 6 TRP N 1 1 10 2826 1 1 6 TRP NE1 N -1.620 -3.882 -9.586 1.00 . A A . 6 TRP NE1 1 1 10 2827 1 1 6 TRP O O -1.741 -4.680 -2.911 1.00 . A A . 6 TRP O 1 1 10 2828 1 1 7 THR C C -5.008 -3.994 -2.260 1.00 . A A . 7 THR C 1 1 10 2829 1 1 7 THR CA C -3.766 -3.176 -2.027 1.00 . A A . 7 THR CA 1 1 10 2830 1 1 7 THR CB C -4.099 -1.857 -1.191 1.00 . A A . 7 THR CB 1 1 10 2831 1 1 7 THR CG2 C -3.004 -0.834 -1.380 1.00 . A A . 7 THR CG2 1 1 10 2832 1 1 7 THR H H -3.426 -2.275 -3.904 1.00 . A A . 7 THR H 1 1 10 2833 1 1 7 THR HA H -3.094 -3.796 -1.450 1.00 . A A . 7 THR HA 1 1 10 2834 1 1 7 THR HB H -4.147 -2.110 -0.142 1.00 . A A . 7 THR HB 1 1 10 2835 1 1 7 THR HG1 H -6.088 -1.799 -1.332 1.00 . A A . 7 THR HG1 1 1 10 2836 1 1 7 THR HG21 H -2.043 -1.272 -1.159 1.00 . A A . 7 THR HG21 1 1 10 2837 1 1 7 THR HG22 H -3.187 0.035 -0.768 1.00 . A A . 7 THR HG22 1 1 10 2838 1 1 7 THR HG23 H -3.050 -0.534 -2.419 1.00 . A A . 7 THR HG23 1 1 10 2839 1 1 7 THR N N -3.104 -2.963 -3.290 1.00 . A A . 7 THR N 1 1 10 2840 1 1 7 THR O O -5.871 -3.633 -3.119 1.00 . A A . 7 THR O 1 1 10 2841 1 1 7 THR OG1 O -5.345 -1.229 -1.587 1.00 . A A . 7 THR OG1 1 1 10 2842 1 1 8 LYS C C -7.395 -5.243 -0.955 1.00 . A A . 8 LYS C 1 1 10 2843 1 1 8 LYS CA C -6.233 -5.968 -1.613 1.00 . A A . 8 LYS CA 1 1 10 2844 1 1 8 LYS CB C -5.956 -7.342 -0.950 1.00 . A A . 8 LYS CB 1 1 10 2845 1 1 8 LYS CD C -5.227 -8.651 1.111 1.00 . A A . 8 LYS CD 1 1 10 2846 1 1 8 LYS CE C -6.581 -9.318 1.341 1.00 . A A . 8 LYS CE 1 1 10 2847 1 1 8 LYS CG C -5.371 -7.271 0.468 1.00 . A A . 8 LYS CG 1 1 10 2848 1 1 8 LYS H H -4.295 -5.345 -1.027 1.00 . A A . 8 LYS H 1 1 10 2849 1 1 8 LYS HA H -6.479 -6.116 -2.655 1.00 . A A . 8 LYS HA 1 1 10 2850 1 1 8 LYS HB2 H -6.887 -7.884 -0.902 1.00 . A A . 8 LYS HB2 1 1 10 2851 1 1 8 LYS HB3 H -5.268 -7.894 -1.574 1.00 . A A . 8 LYS HB3 1 1 10 2852 1 1 8 LYS HD2 H -4.636 -9.280 0.462 1.00 . A A . 8 LYS HD2 1 1 10 2853 1 1 8 LYS HD3 H -4.723 -8.542 2.060 1.00 . A A . 8 LYS HD3 1 1 10 2854 1 1 8 LYS HE2 H -7.192 -8.671 1.955 1.00 . A A . 8 LYS HE2 1 1 10 2855 1 1 8 LYS HE3 H -7.067 -9.469 0.389 1.00 . A A . 8 LYS HE3 1 1 10 2856 1 1 8 LYS HG2 H -4.396 -6.810 0.421 1.00 . A A . 8 LYS HG2 1 1 10 2857 1 1 8 LYS HG3 H -6.024 -6.663 1.078 1.00 . A A . 8 LYS HG3 1 1 10 2858 1 1 8 LYS HZ1 H -5.990 -10.507 2.948 1.00 . A A . 8 LYS HZ1 1 1 10 2859 1 1 8 LYS HZ2 H -5.865 -11.278 1.446 1.00 . A A . 8 LYS HZ2 1 1 10 2860 1 1 8 LYS HZ3 H -7.381 -11.060 2.164 1.00 . A A . 8 LYS HZ3 1 1 10 2861 1 1 8 LYS N N -5.074 -5.115 -1.574 1.00 . A A . 8 LYS N 1 1 10 2862 1 1 8 LYS NZ N -6.444 -10.633 2.021 1.00 . A A . 8 LYS NZ 1 1 10 2863 1 1 8 LYS O O -7.438 -5.059 0.264 1.00 . A A . 8 LYS O 1 1 10 2864 1 1 9 SER C C -10.504 -4.227 -2.323 1.00 . A A . 9 SER C 1 1 10 2865 1 1 9 SER CA C -9.390 -3.994 -1.327 1.00 . A A . 9 SER CA 1 1 10 2866 1 1 9 SER CB C -8.974 -2.504 -1.324 1.00 . A A . 9 SER CB 1 1 10 2867 1 1 9 SER H H -8.222 -4.949 -2.724 1.00 . A A . 9 SER H 1 1 10 2868 1 1 9 SER HA H -9.687 -4.292 -0.333 1.00 . A A . 9 SER HA 1 1 10 2869 1 1 9 SER HB2 H -8.806 -2.178 -2.340 1.00 . A A . 9 SER HB2 1 1 10 2870 1 1 9 SER HB3 H -9.762 -1.913 -0.881 1.00 . A A . 9 SER HB3 1 1 10 2871 1 1 9 SER HG H -7.692 -3.094 -0.008 1.00 . A A . 9 SER HG 1 1 10 2872 1 1 9 SER N N -8.278 -4.774 -1.760 1.00 . A A . 9 SER N 1 1 10 2873 1 1 9 SER O O -10.332 -5.020 -3.257 1.00 . A A . 9 SER O 1 1 10 2874 1 1 9 SER OG O -7.767 -2.309 -0.569 1.00 . A A . 9 SER OG 1 1 10 2875 1 1 10 TYR C C -13.302 -2.269 -3.216 1.00 . A A . 10 TYR C 1 1 10 2876 1 1 10 TYR CA C -12.696 -3.662 -3.074 1.00 . A A . 10 TYR CA 1 1 10 2877 1 1 10 TYR CB C -13.752 -4.682 -2.614 1.00 . A A . 10 TYR CB 1 1 10 2878 1 1 10 TYR CD1 C -14.722 -5.708 -4.711 1.00 . A A . 10 TYR CD1 1 1 10 2879 1 1 10 TYR CD2 C -16.109 -4.244 -3.438 1.00 . A A . 10 TYR CD2 1 1 10 2880 1 1 10 TYR CE1 C -15.745 -5.891 -5.621 1.00 . A A . 10 TYR CE1 1 1 10 2881 1 1 10 TYR CE2 C -17.136 -4.422 -4.345 1.00 . A A . 10 TYR CE2 1 1 10 2882 1 1 10 TYR CG C -14.884 -4.884 -3.605 1.00 . A A . 10 TYR CG 1 1 10 2883 1 1 10 TYR CZ C -16.948 -5.245 -5.433 1.00 . A A . 10 TYR CZ 1 1 10 2884 1 1 10 TYR H H -11.743 -2.989 -1.366 1.00 . A A . 10 TYR H 1 1 10 2885 1 1 10 TYR HA H -12.275 -3.969 -4.025 1.00 . A A . 10 TYR HA 1 1 10 2886 1 1 10 TYR HB2 H -13.275 -5.639 -2.460 1.00 . A A . 10 TYR HB2 1 1 10 2887 1 1 10 TYR HB3 H -14.179 -4.347 -1.681 1.00 . A A . 10 TYR HB3 1 1 10 2888 1 1 10 TYR HD1 H -13.778 -6.212 -4.855 1.00 . A A . 10 TYR HD1 1 1 10 2889 1 1 10 TYR HD2 H -16.252 -3.600 -2.584 1.00 . A A . 10 TYR HD2 1 1 10 2890 1 1 10 TYR HE1 H -15.600 -6.537 -6.474 1.00 . A A . 10 TYR HE1 1 1 10 2891 1 1 10 TYR HE2 H -18.079 -3.917 -4.198 1.00 . A A . 10 TYR HE2 1 1 10 2892 1 1 10 TYR HH H -18.064 -6.357 -6.541 1.00 . A A . 10 TYR HH 1 1 10 2893 1 1 10 TYR N N -11.616 -3.576 -2.141 1.00 . A A . 10 TYR N 1 1 10 2894 1 1 10 TYR O O -13.889 -1.754 -2.273 1.00 . A A . 10 TYR O 1 1 10 2895 1 1 10 TYR OH O -17.966 -5.423 -6.340 1.00 . A A . 10 TYR OH 1 1 10 2896 1 1 11 PRO C C -10.819 -2.168 -5.195 1.00 . A A . 11 PRO C 1 1 10 2897 1 1 11 PRO CA C -12.333 -2.177 -5.466 1.00 . A A . 11 PRO CA 1 1 10 2898 1 1 11 PRO CB C -12.656 -1.276 -6.654 1.00 . A A . 11 PRO CB 1 1 10 2899 1 1 11 PRO CD C -13.627 -0.301 -4.698 1.00 . A A . 11 PRO CD 1 1 10 2900 1 1 11 PRO CG C -13.753 -0.371 -6.191 1.00 . A A . 11 PRO CG 1 1 10 2901 1 1 11 PRO HA H -12.673 -3.178 -5.683 1.00 . A A . 11 PRO HA 1 1 10 2902 1 1 11 PRO HB2 H -11.759 -0.748 -6.943 1.00 . A A . 11 PRO HB2 1 1 10 2903 1 1 11 PRO HB3 H -12.998 -1.923 -7.447 1.00 . A A . 11 PRO HB3 1 1 10 2904 1 1 11 PRO HD2 H -12.932 0.474 -4.409 1.00 . A A . 11 PRO HD2 1 1 10 2905 1 1 11 PRO HD3 H -14.591 -0.141 -4.237 1.00 . A A . 11 PRO HD3 1 1 10 2906 1 1 11 PRO HG2 H -13.632 0.607 -6.633 1.00 . A A . 11 PRO HG2 1 1 10 2907 1 1 11 PRO HG3 H -14.715 -0.789 -6.452 1.00 . A A . 11 PRO HG3 1 1 10 2908 1 1 11 PRO N N -13.106 -1.622 -4.368 1.00 . A A . 11 PRO N 1 1 10 2909 1 1 11 PRO O O -10.317 -1.335 -4.422 1.00 . A A . 11 PRO O 1 1 10 2910 1 1 12 PRO C C -7.973 -1.966 -6.144 1.00 . A A . 12 PRO C 1 1 10 2911 1 1 12 PRO CA C -8.641 -3.246 -5.660 1.00 . A A . 12 PRO CA 1 1 10 2912 1 1 12 PRO CB C -8.289 -4.415 -6.587 1.00 . A A . 12 PRO CB 1 1 10 2913 1 1 12 PRO CD C -10.672 -4.229 -6.564 1.00 . A A . 12 PRO CD 1 1 10 2914 1 1 12 PRO CG C -9.543 -5.211 -6.691 1.00 . A A . 12 PRO CG 1 1 10 2915 1 1 12 PRO HA H -8.331 -3.459 -4.648 1.00 . A A . 12 PRO HA 1 1 10 2916 1 1 12 PRO HB2 H -7.980 -4.031 -7.550 1.00 . A A . 12 PRO HB2 1 1 10 2917 1 1 12 PRO HB3 H -7.510 -5.022 -6.153 1.00 . A A . 12 PRO HB3 1 1 10 2918 1 1 12 PRO HD2 H -11.010 -3.849 -7.511 1.00 . A A . 12 PRO HD2 1 1 10 2919 1 1 12 PRO HD3 H -11.530 -4.641 -6.058 1.00 . A A . 12 PRO HD3 1 1 10 2920 1 1 12 PRO HG2 H -9.577 -5.717 -7.645 1.00 . A A . 12 PRO HG2 1 1 10 2921 1 1 12 PRO HG3 H -9.596 -5.925 -5.882 1.00 . A A . 12 PRO HG3 1 1 10 2922 1 1 12 PRO N N -10.102 -3.143 -5.770 1.00 . A A . 12 PRO N 1 1 10 2923 1 1 12 PRO O O -8.322 -1.434 -7.199 1.00 . A A . 12 PRO O 1 1 10 2924 1 1 13 LYS C C -4.979 -0.353 -5.218 1.00 . A A . 13 LYS C 1 1 10 2925 1 1 13 LYS CA C -6.401 -0.217 -5.697 1.00 . A A . 13 LYS CA 1 1 10 2926 1 1 13 LYS CB C -7.195 0.864 -4.911 1.00 . A A . 13 LYS CB 1 1 10 2927 1 1 13 LYS CD C -5.459 2.724 -4.627 1.00 . A A . 13 LYS CD 1 1 10 2928 1 1 13 LYS CE C -5.347 2.756 -3.074 1.00 . A A . 13 LYS CE 1 1 10 2929 1 1 13 LYS CG C -6.835 2.332 -5.155 1.00 . A A . 13 LYS CG 1 1 10 2930 1 1 13 LYS H H -6.672 -1.978 -4.613 1.00 . A A . 13 LYS H 1 1 10 2931 1 1 13 LYS HA H -6.445 -0.024 -6.758 1.00 . A A . 13 LYS HA 1 1 10 2932 1 1 13 LYS HB2 H -8.243 0.747 -5.143 1.00 . A A . 13 LYS HB2 1 1 10 2933 1 1 13 LYS HB3 H -7.047 0.644 -3.864 1.00 . A A . 13 LYS HB3 1 1 10 2934 1 1 13 LYS HD2 H -4.783 1.968 -5.005 1.00 . A A . 13 LYS HD2 1 1 10 2935 1 1 13 LYS HD3 H -5.185 3.686 -5.036 1.00 . A A . 13 LYS HD3 1 1 10 2936 1 1 13 LYS HE2 H -4.375 3.145 -2.811 1.00 . A A . 13 LYS HE2 1 1 10 2937 1 1 13 LYS HE3 H -6.102 3.430 -2.697 1.00 . A A . 13 LYS HE3 1 1 10 2938 1 1 13 LYS HG2 H -6.855 2.518 -6.219 1.00 . A A . 13 LYS HG2 1 1 10 2939 1 1 13 LYS HG3 H -7.584 2.945 -4.677 1.00 . A A . 13 LYS HG3 1 1 10 2940 1 1 13 LYS HZ1 H -5.184 1.465 -1.423 1.00 . A A . 13 LYS HZ1 1 1 10 2941 1 1 13 LYS HZ2 H -4.936 0.682 -2.873 1.00 . A A . 13 LYS HZ2 1 1 10 2942 1 1 13 LYS HZ3 H -6.490 1.091 -2.385 1.00 . A A . 13 LYS HZ3 1 1 10 2943 1 1 13 LYS N N -7.019 -1.482 -5.393 1.00 . A A . 13 LYS N 1 1 10 2944 1 1 13 LYS NZ N -5.507 1.424 -2.410 1.00 . A A . 13 LYS NZ 1 1 10 2945 1 1 13 LYS O O -4.782 -0.749 -4.112 1.00 . A A . 13 LYS O 1 1 10 2946 1 1 14 PRO C C -1.951 0.661 -4.646 1.00 . A A . 14 PRO C 1 1 10 2947 1 1 14 PRO CA C -2.624 -0.355 -5.586 1.00 . A A . 14 PRO CA 1 1 10 2948 1 1 14 PRO CB C -1.933 -0.540 -6.904 1.00 . A A . 14 PRO CB 1 1 10 2949 1 1 14 PRO CD C -3.984 0.597 -7.335 1.00 . A A . 14 PRO CD 1 1 10 2950 1 1 14 PRO CG C -2.497 0.589 -7.711 1.00 . A A . 14 PRO CG 1 1 10 2951 1 1 14 PRO HA H -2.662 -1.292 -5.067 1.00 . A A . 14 PRO HA 1 1 10 2952 1 1 14 PRO HB2 H -0.870 -0.717 -6.806 1.00 . A A . 14 PRO HB2 1 1 10 2953 1 1 14 PRO HB3 H -2.331 -1.455 -7.319 1.00 . A A . 14 PRO HB3 1 1 10 2954 1 1 14 PRO HD2 H -4.428 1.579 -7.307 1.00 . A A . 14 PRO HD2 1 1 10 2955 1 1 14 PRO HD3 H -4.533 -0.028 -8.024 1.00 . A A . 14 PRO HD3 1 1 10 2956 1 1 14 PRO HG2 H -2.012 1.514 -7.435 1.00 . A A . 14 PRO HG2 1 1 10 2957 1 1 14 PRO HG3 H -2.395 0.394 -8.768 1.00 . A A . 14 PRO HG3 1 1 10 2958 1 1 14 PRO N N -3.966 -0.043 -5.992 1.00 . A A . 14 PRO N 1 1 10 2959 1 1 14 PRO O O -2.570 1.632 -4.191 1.00 . A A . 14 PRO O 1 1 10 2960 1 1 15 CYS C C 0.671 2.328 -4.078 1.00 . A A . 15 CYS C 1 1 10 2961 1 1 15 CYS CA C 0.038 1.150 -3.399 1.00 . A A . 15 CYS CA 1 1 10 2962 1 1 15 CYS CB C 1.105 0.249 -2.892 1.00 . A A . 15 CYS CB 1 1 10 2963 1 1 15 CYS H H -0.201 -0.355 -4.721 1.00 . A A . 15 CYS H 1 1 10 2964 1 1 15 CYS HA H -0.575 1.451 -2.564 1.00 . A A . 15 CYS HA 1 1 10 2965 1 1 15 CYS HB2 H 1.498 -0.041 -3.848 1.00 . A A . 15 CYS HB2 1 1 10 2966 1 1 15 CYS HB3 H 1.931 0.654 -2.337 1.00 . A A . 15 CYS HB3 1 1 10 2967 1 1 15 CYS N N -0.715 0.392 -4.326 1.00 . A A . 15 CYS N 1 1 10 2968 1 1 15 CYS O O 1.322 2.201 -5.115 1.00 . A A . 15 CYS O 1 1 10 2969 1 1 15 CYS SG S 0.504 -1.252 -2.081 1.00 . A A . 15 CYS SG 1 1 10 2970 1 1 16 PHE C C 2.427 4.832 -3.306 1.00 . A A . 16 PHE C 1 1 10 2971 1 1 16 PHE CA C 1.086 4.664 -3.985 1.00 . A A . 16 PHE CA 1 1 10 2972 1 1 16 PHE CB C 0.205 5.897 -3.740 1.00 . A A . 16 PHE CB 1 1 10 2973 1 1 16 PHE CD1 C -1.161 6.076 -5.838 1.00 . A A . 16 PHE CD1 1 1 10 2974 1 1 16 PHE CD2 C -2.293 5.675 -3.779 1.00 . A A . 16 PHE CD2 1 1 10 2975 1 1 16 PHE CE1 C -2.368 6.073 -6.508 1.00 . A A . 16 PHE CE1 1 1 10 2976 1 1 16 PHE CE2 C -3.502 5.670 -4.444 1.00 . A A . 16 PHE CE2 1 1 10 2977 1 1 16 PHE CG C -1.109 5.876 -4.466 1.00 . A A . 16 PHE CG 1 1 10 2978 1 1 16 PHE CZ C -3.540 5.870 -5.811 1.00 . A A . 16 PHE CZ 1 1 10 2979 1 1 16 PHE H H -0.104 3.423 -2.715 1.00 . A A . 16 PHE H 1 1 10 2980 1 1 16 PHE HA H 1.253 4.544 -5.045 1.00 . A A . 16 PHE HA 1 1 10 2981 1 1 16 PHE HB2 H -0.005 5.972 -2.684 1.00 . A A . 16 PHE HB2 1 1 10 2982 1 1 16 PHE HB3 H 0.746 6.780 -4.051 1.00 . A A . 16 PHE HB3 1 1 10 2983 1 1 16 PHE HD1 H -0.243 6.235 -6.384 1.00 . A A . 16 PHE HD1 1 1 10 2984 1 1 16 PHE HD2 H -2.267 5.518 -2.711 1.00 . A A . 16 PHE HD2 1 1 10 2985 1 1 16 PHE HE1 H -2.394 6.231 -7.577 1.00 . A A . 16 PHE HE1 1 1 10 2986 1 1 16 PHE HE2 H -4.418 5.510 -3.894 1.00 . A A . 16 PHE HE2 1 1 10 2987 1 1 16 PHE HZ H -4.486 5.866 -6.331 1.00 . A A . 16 PHE HZ 1 1 10 2988 1 1 16 PHE N N 0.474 3.451 -3.503 1.00 . A A . 16 PHE N 1 1 10 2989 1 1 16 PHE O O 2.507 5.269 -2.164 1.00 . A A . 16 PHE O 1 1 10 2990 1 1 17 VAL C C 5.665 5.256 -4.428 1.00 . A A . 17 VAL C 1 1 10 2991 1 1 17 VAL CA C 4.777 4.496 -3.451 1.00 . A A . 17 VAL CA 1 1 10 2992 1 1 17 VAL CB C 5.353 3.074 -3.119 1.00 . A A . 17 VAL CB 1 1 10 2993 1 1 17 VAL CG1 C 5.483 2.190 -4.360 1.00 . A A . 17 VAL CG1 1 1 10 2994 1 1 17 VAL CG2 C 6.671 3.168 -2.362 1.00 . A A . 17 VAL CG2 1 1 10 2995 1 1 17 VAL H H 3.341 4.052 -4.878 1.00 . A A . 17 VAL H 1 1 10 2996 1 1 17 VAL HA H 4.718 5.069 -2.537 1.00 . A A . 17 VAL HA 1 1 10 2997 1 1 17 VAL HB H 4.631 2.592 -2.474 1.00 . A A . 17 VAL HB 1 1 10 2998 1 1 17 VAL HG11 H 6.147 2.663 -5.069 1.00 . A A . 17 VAL HG11 1 1 10 2999 1 1 17 VAL HG12 H 4.512 2.056 -4.812 1.00 . A A . 17 VAL HG12 1 1 10 3000 1 1 17 VAL HG13 H 5.886 1.228 -4.078 1.00 . A A . 17 VAL HG13 1 1 10 3001 1 1 17 VAL HG21 H 7.036 2.173 -2.150 1.00 . A A . 17 VAL HG21 1 1 10 3002 1 1 17 VAL HG22 H 6.520 3.702 -1.434 1.00 . A A . 17 VAL HG22 1 1 10 3003 1 1 17 VAL HG23 H 7.396 3.695 -2.965 1.00 . A A . 17 VAL HG23 1 1 10 3004 1 1 17 VAL N N 3.458 4.417 -3.978 1.00 . A A . 17 VAL N 1 1 10 3005 1 1 17 VAL O O 5.562 5.072 -5.657 1.00 . A A . 17 VAL O 1 1 10 3006 1 1 18 ARG C C 8.506 6.117 -5.204 1.00 . A A . 18 ARG C 1 1 10 3007 1 1 18 ARG CA C 7.375 6.971 -4.655 1.00 . A A . 18 ARG CA 1 1 10 3008 1 1 18 ARG CB C 7.918 8.124 -3.776 1.00 . A A . 18 ARG CB 1 1 10 3009 1 1 18 ARG CD C 10.231 9.178 -4.046 1.00 . A A . 18 ARG CD 1 1 10 3010 1 1 18 ARG CG C 8.772 9.161 -4.522 1.00 . A A . 18 ARG CG 1 1 10 3011 1 1 18 ARG CZ C 12.221 7.716 -4.421 1.00 . A A . 18 ARG CZ 1 1 10 3012 1 1 18 ARG H H 6.445 6.223 -2.914 1.00 . A A . 18 ARG H 1 1 10 3013 1 1 18 ARG HA H 6.819 7.388 -5.482 1.00 . A A . 18 ARG HA 1 1 10 3014 1 1 18 ARG HB2 H 7.081 8.638 -3.326 1.00 . A A . 18 ARG HB2 1 1 10 3015 1 1 18 ARG HB3 H 8.521 7.694 -2.989 1.00 . A A . 18 ARG HB3 1 1 10 3016 1 1 18 ARG HD2 H 10.760 9.956 -4.575 1.00 . A A . 18 ARG HD2 1 1 10 3017 1 1 18 ARG HD3 H 10.248 9.391 -2.987 1.00 . A A . 18 ARG HD3 1 1 10 3018 1 1 18 ARG HE H 10.302 7.116 -4.366 1.00 . A A . 18 ARG HE 1 1 10 3019 1 1 18 ARG HG2 H 8.759 8.926 -5.576 1.00 . A A . 18 ARG HG2 1 1 10 3020 1 1 18 ARG HG3 H 8.342 10.140 -4.370 1.00 . A A . 18 ARG HG3 1 1 10 3021 1 1 18 ARG HH11 H 12.734 9.656 -4.048 1.00 . A A . 18 ARG HH11 1 1 10 3022 1 1 18 ARG HH12 H 14.065 8.639 -4.363 1.00 . A A . 18 ARG HH12 1 1 10 3023 1 1 18 ARG HH21 H 12.020 5.747 -4.810 1.00 . A A . 18 ARG HH21 1 1 10 3024 1 1 18 ARG HH22 H 13.645 6.274 -4.828 1.00 . A A . 18 ARG HH22 1 1 10 3025 1 1 18 ARG N N 6.467 6.140 -3.888 1.00 . A A . 18 ARG N 1 1 10 3026 1 1 18 ARG NE N 10.912 7.900 -4.285 1.00 . A A . 18 ARG NE 1 1 10 3027 1 1 18 ARG NH1 N 13.074 8.741 -4.267 1.00 . A A . 18 ARG NH1 1 1 10 3028 1 1 18 ARG NH2 N 12.678 6.498 -4.703 1.00 . A A . 18 ARG NH2 1 1 10 3029 1 1 18 ARG O O 9.411 5.725 -4.423 1.00 . A A . 18 ARG O 1 1 10 3030 1 1 18 ARG OXT O 8.502 5.826 -6.393 1.00 . A A . 18 ARG OXT 1 1 11 3031 1 1 1 LEU C C 8.437 3.748 -8.277 1.00 . A A . 1 LEU C 1 1 11 3032 1 1 1 LEU CA C 9.368 4.856 -7.843 1.00 . A A . 1 LEU CA 1 1 11 3033 1 1 1 LEU CB C 10.674 4.242 -7.259 1.00 . A A . 1 LEU CB 1 1 11 3034 1 1 1 LEU CD1 C 11.550 6.068 -5.685 1.00 . A A . 1 LEU CD1 1 1 11 3035 1 1 1 LEU CD2 C 13.125 4.396 -6.680 1.00 . A A . 1 LEU CD2 1 1 11 3036 1 1 1 LEU CG C 11.848 5.193 -6.899 1.00 . A A . 1 LEU CG 1 1 11 3037 1 1 1 LEU H1 H 7.725 5.966 -7.205 1.00 . A A . 1 LEU H1 1 1 11 3038 1 1 1 LEU HA H 9.601 5.472 -8.700 1.00 . A A . 1 LEU HA 1 1 11 3039 1 1 1 LEU HB2 H 10.407 3.707 -6.360 1.00 . A A . 1 LEU HB2 1 1 11 3040 1 1 1 LEU HB3 H 11.038 3.518 -7.974 1.00 . A A . 1 LEU HB3 1 1 11 3041 1 1 1 LEU HD11 H 12.426 6.655 -5.452 1.00 . A A . 1 LEU HD11 1 1 11 3042 1 1 1 LEU HD12 H 11.294 5.449 -4.839 1.00 . A A . 1 LEU HD12 1 1 11 3043 1 1 1 LEU HD13 H 10.731 6.735 -5.906 1.00 . A A . 1 LEU HD13 1 1 11 3044 1 1 1 LEU HD21 H 13.930 5.071 -6.429 1.00 . A A . 1 LEU HD21 1 1 11 3045 1 1 1 LEU HD22 H 13.375 3.858 -7.581 1.00 . A A . 1 LEU HD22 1 1 11 3046 1 1 1 LEU HD23 H 12.978 3.695 -5.871 1.00 . A A . 1 LEU HD23 1 1 11 3047 1 1 1 LEU HG H 12.016 5.855 -7.736 1.00 . A A . 1 LEU HG 1 1 11 3048 1 1 1 LEU N N 8.664 5.683 -6.857 1.00 . A A . 1 LEU N 1 1 11 3049 1 1 1 LEU O O 7.288 3.734 -7.865 1.00 . A A . 1 LEU O 1 1 11 3050 1 1 2 VAL C C 8.128 0.715 -8.386 1.00 . A A . 2 VAL C 1 1 11 3051 1 1 2 VAL CA C 8.108 1.714 -9.526 1.00 . A A . 2 VAL CA 1 1 11 3052 1 1 2 VAL CB C 8.661 1.050 -10.820 1.00 . A A . 2 VAL CB 1 1 11 3053 1 1 2 VAL CG1 C 7.775 -0.113 -11.263 1.00 . A A . 2 VAL CG1 1 1 11 3054 1 1 2 VAL CG2 C 8.791 2.076 -11.940 1.00 . A A . 2 VAL CG2 1 1 11 3055 1 1 2 VAL H H 9.826 2.903 -9.462 1.00 . A A . 2 VAL H 1 1 11 3056 1 1 2 VAL HA H 7.095 2.053 -9.687 1.00 . A A . 2 VAL HA 1 1 11 3057 1 1 2 VAL HB H 9.643 0.657 -10.602 1.00 . A A . 2 VAL HB 1 1 11 3058 1 1 2 VAL HG11 H 8.182 -0.556 -12.160 1.00 . A A . 2 VAL HG11 1 1 11 3059 1 1 2 VAL HG12 H 6.779 0.251 -11.463 1.00 . A A . 2 VAL HG12 1 1 11 3060 1 1 2 VAL HG13 H 7.737 -0.855 -10.479 1.00 . A A . 2 VAL HG13 1 1 11 3061 1 1 2 VAL HG21 H 9.177 1.596 -12.827 1.00 . A A . 2 VAL HG21 1 1 11 3062 1 1 2 VAL HG22 H 9.466 2.861 -11.632 1.00 . A A . 2 VAL HG22 1 1 11 3063 1 1 2 VAL HG23 H 7.820 2.499 -12.155 1.00 . A A . 2 VAL HG23 1 1 11 3064 1 1 2 VAL N N 8.911 2.847 -9.116 1.00 . A A . 2 VAL N 1 1 11 3065 1 1 2 VAL O O 9.174 0.168 -8.059 1.00 . A A . 2 VAL O 1 1 11 3066 1 1 3 ARG C C 5.815 -1.303 -6.776 1.00 . A A . 3 ARG C 1 1 11 3067 1 1 3 ARG CA C 6.945 -0.321 -6.607 1.00 . A A . 3 ARG CA 1 1 11 3068 1 1 3 ARG CB C 6.714 0.527 -5.357 1.00 . A A . 3 ARG CB 1 1 11 3069 1 1 3 ARG CD C 6.596 0.678 -2.851 1.00 . A A . 3 ARG CD 1 1 11 3070 1 1 3 ARG CG C 6.927 -0.210 -4.044 1.00 . A A . 3 ARG CG 1 1 11 3071 1 1 3 ARG CZ C 7.846 2.660 -1.958 1.00 . A A . 3 ARG CZ 1 1 11 3072 1 1 3 ARG H H 6.179 0.959 -8.059 1.00 . A A . 3 ARG H 1 1 11 3073 1 1 3 ARG HA H 7.883 -0.846 -6.505 1.00 . A A . 3 ARG HA 1 1 11 3074 1 1 3 ARG HB2 H 7.390 1.368 -5.382 1.00 . A A . 3 ARG HB2 1 1 11 3075 1 1 3 ARG HB3 H 5.700 0.897 -5.377 1.00 . A A . 3 ARG HB3 1 1 11 3076 1 1 3 ARG HD2 H 5.527 0.815 -2.808 1.00 . A A . 3 ARG HD2 1 1 11 3077 1 1 3 ARG HD3 H 6.933 0.187 -1.950 1.00 . A A . 3 ARG HD3 1 1 11 3078 1 1 3 ARG HE H 7.151 2.437 -3.824 1.00 . A A . 3 ARG HE 1 1 11 3079 1 1 3 ARG HG2 H 6.289 -1.081 -4.023 1.00 . A A . 3 ARG HG2 1 1 11 3080 1 1 3 ARG HG3 H 7.960 -0.518 -3.979 1.00 . A A . 3 ARG HG3 1 1 11 3081 1 1 3 ARG HH11 H 7.708 1.150 -0.594 1.00 . A A . 3 ARG HH11 1 1 11 3082 1 1 3 ARG HH12 H 8.474 2.553 0.000 1.00 . A A . 3 ARG HH12 1 1 11 3083 1 1 3 ARG HH21 H 8.106 4.312 -3.087 1.00 . A A . 3 ARG HH21 1 1 11 3084 1 1 3 ARG HH22 H 8.733 4.471 -1.497 1.00 . A A . 3 ARG HH22 1 1 11 3085 1 1 3 ARG N N 7.005 0.531 -7.753 1.00 . A A . 3 ARG N 1 1 11 3086 1 1 3 ARG NE N 7.243 2.003 -2.946 1.00 . A A . 3 ARG NE 1 1 11 3087 1 1 3 ARG NH1 N 8.025 2.084 -0.762 1.00 . A A . 3 ARG NH1 1 1 11 3088 1 1 3 ARG NH2 N 8.267 3.902 -2.174 1.00 . A A . 3 ARG NH2 1 1 11 3089 1 1 3 ARG O O 4.698 -0.913 -7.121 1.00 . A A . 3 ARG O 1 1 11 3090 1 1 4 GLY C C 4.261 -3.577 -5.365 1.00 . A A . 4 GLY C 1 1 11 3091 1 1 4 GLY CA C 5.082 -3.576 -6.631 1.00 . A A . 4 GLY CA 1 1 11 3092 1 1 4 GLY H H 7.023 -2.824 -6.352 1.00 . A A . 4 GLY H 1 1 11 3093 1 1 4 GLY HA2 H 4.440 -3.376 -7.475 1.00 . A A . 4 GLY HA2 1 1 11 3094 1 1 4 GLY HA3 H 5.542 -4.546 -6.749 1.00 . A A . 4 GLY HA3 1 1 11 3095 1 1 4 GLY N N 6.103 -2.565 -6.562 1.00 . A A . 4 GLY N 1 1 11 3096 1 1 4 GLY O O 4.506 -4.359 -4.461 1.00 . A A . 4 GLY O 1 1 11 3097 1 1 5 CYS C C 1.082 -2.410 -4.582 1.00 . A A . 5 CYS C 1 1 11 3098 1 1 5 CYS CA C 2.485 -2.530 -4.135 1.00 . A A . 5 CYS CA 1 1 11 3099 1 1 5 CYS CB C 2.850 -1.292 -3.351 1.00 . A A . 5 CYS CB 1 1 11 3100 1 1 5 CYS H H 3.201 -2.048 -6.040 1.00 . A A . 5 CYS H 1 1 11 3101 1 1 5 CYS HA H 2.573 -3.399 -3.500 1.00 . A A . 5 CYS HA 1 1 11 3102 1 1 5 CYS HB2 H 3.889 -1.299 -3.087 1.00 . A A . 5 CYS HB2 1 1 11 3103 1 1 5 CYS HB3 H 2.674 -0.437 -3.987 1.00 . A A . 5 CYS HB3 1 1 11 3104 1 1 5 CYS N N 3.332 -2.668 -5.289 1.00 . A A . 5 CYS N 1 1 11 3105 1 1 5 CYS O O 0.738 -1.506 -5.353 1.00 . A A . 5 CYS O 1 1 11 3106 1 1 5 CYS SG S 1.879 -1.039 -1.843 1.00 . A A . 5 CYS SG 1 1 11 3107 1 1 6 TRP C C -1.929 -3.846 -3.365 1.00 . A A . 6 TRP C 1 1 11 3108 1 1 6 TRP CA C -1.084 -3.290 -4.493 1.00 . A A . 6 TRP CA 1 1 11 3109 1 1 6 TRP CB C -1.215 -4.025 -5.853 1.00 . A A . 6 TRP CB 1 1 11 3110 1 1 6 TRP CD1 C -1.832 -6.466 -5.534 1.00 . A A . 6 TRP CD1 1 1 11 3111 1 1 6 TRP CD2 C -3.457 -5.189 -6.363 1.00 . A A . 6 TRP CD2 1 1 11 3112 1 1 6 TRP CE2 C -3.944 -6.497 -6.253 1.00 . A A . 6 TRP CE2 1 1 11 3113 1 1 6 TRP CE3 C -4.282 -4.196 -6.859 1.00 . A A . 6 TRP CE3 1 1 11 3114 1 1 6 TRP CG C -2.124 -5.190 -5.895 1.00 . A A . 6 TRP CG 1 1 11 3115 1 1 6 TRP CH2 C -6.029 -5.831 -7.117 1.00 . A A . 6 TRP CH2 1 1 11 3116 1 1 6 TRP CZ2 C -5.238 -6.837 -6.629 1.00 . A A . 6 TRP CZ2 1 1 11 3117 1 1 6 TRP CZ3 C -5.552 -4.514 -7.233 1.00 . A A . 6 TRP CZ3 1 1 11 3118 1 1 6 TRP H H 0.557 -3.971 -3.473 1.00 . A A . 6 TRP H 1 1 11 3119 1 1 6 TRP HA H -1.370 -2.259 -4.618 1.00 . A A . 6 TRP HA 1 1 11 3120 1 1 6 TRP HB2 H -1.543 -3.335 -6.617 1.00 . A A . 6 TRP HB2 1 1 11 3121 1 1 6 TRP HB3 H -0.229 -4.369 -6.129 1.00 . A A . 6 TRP HB3 1 1 11 3122 1 1 6 TRP HD1 H -0.867 -6.752 -5.137 1.00 . A A . 6 TRP HD1 1 1 11 3123 1 1 6 TRP HE1 H -2.967 -8.227 -5.548 1.00 . A A . 6 TRP HE1 1 1 11 3124 1 1 6 TRP HE3 H -3.932 -3.180 -6.954 1.00 . A A . 6 TRP HE3 1 1 11 3125 1 1 6 TRP HH2 H -7.041 -6.046 -7.427 1.00 . A A . 6 TRP HH2 1 1 11 3126 1 1 6 TRP HZ2 H -5.615 -7.845 -6.544 1.00 . A A . 6 TRP HZ2 1 1 11 3127 1 1 6 TRP HZ3 H -6.177 -3.713 -7.609 1.00 . A A . 6 TRP HZ3 1 1 11 3128 1 1 6 TRP N N 0.266 -3.286 -4.113 1.00 . A A . 6 TRP N 1 1 11 3129 1 1 6 TRP NE1 N -2.930 -7.267 -5.737 1.00 . A A . 6 TRP NE1 1 1 11 3130 1 1 6 TRP O O -1.567 -4.845 -2.748 1.00 . A A . 6 TRP O 1 1 11 3131 1 1 7 THR C C -5.049 -4.316 -2.564 1.00 . A A . 7 THR C 1 1 11 3132 1 1 7 THR CA C -3.855 -3.565 -1.999 1.00 . A A . 7 THR CA 1 1 11 3133 1 1 7 THR CB C -4.272 -2.395 -1.025 1.00 . A A . 7 THR CB 1 1 11 3134 1 1 7 THR CG2 C -4.695 -1.129 -1.758 1.00 . A A . 7 THR CG2 1 1 11 3135 1 1 7 THR H H -3.241 -2.351 -3.552 1.00 . A A . 7 THR H 1 1 11 3136 1 1 7 THR HA H -3.287 -4.287 -1.429 1.00 . A A . 7 THR HA 1 1 11 3137 1 1 7 THR HB H -3.400 -2.172 -0.426 1.00 . A A . 7 THR HB 1 1 11 3138 1 1 7 THR HG1 H -6.167 -2.704 -0.533 1.00 . A A . 7 THR HG1 1 1 11 3139 1 1 7 THR HG21 H -5.043 -0.399 -1.043 1.00 . A A . 7 THR HG21 1 1 11 3140 1 1 7 THR HG22 H -5.494 -1.376 -2.441 1.00 . A A . 7 THR HG22 1 1 11 3141 1 1 7 THR HG23 H -3.852 -0.714 -2.292 1.00 . A A . 7 THR HG23 1 1 11 3142 1 1 7 THR N N -2.981 -3.148 -3.040 1.00 . A A . 7 THR N 1 1 11 3143 1 1 7 THR O O -5.745 -3.838 -3.485 1.00 . A A . 7 THR O 1 1 11 3144 1 1 7 THR OG1 O -5.299 -2.805 -0.116 1.00 . A A . 7 THR OG1 1 1 11 3145 1 1 8 LYS C C -7.512 -5.937 -1.518 1.00 . A A . 8 LYS C 1 1 11 3146 1 1 8 LYS CA C -6.376 -6.291 -2.444 1.00 . A A . 8 LYS CA 1 1 11 3147 1 1 8 LYS CB C -6.056 -7.793 -2.357 1.00 . A A . 8 LYS CB 1 1 11 3148 1 1 8 LYS CD C -6.883 -10.166 -2.557 1.00 . A A . 8 LYS CD 1 1 11 3149 1 1 8 LYS CE C -8.068 -11.055 -2.910 1.00 . A A . 8 LYS CE 1 1 11 3150 1 1 8 LYS CG C -7.218 -8.697 -2.760 1.00 . A A . 8 LYS CG 1 1 11 3151 1 1 8 LYS H H -4.635 -5.813 -1.366 1.00 . A A . 8 LYS H 1 1 11 3152 1 1 8 LYS HA H -6.642 -6.030 -3.458 1.00 . A A . 8 LYS HA 1 1 11 3153 1 1 8 LYS HB2 H -5.220 -8.008 -3.005 1.00 . A A . 8 LYS HB2 1 1 11 3154 1 1 8 LYS HB3 H -5.780 -8.029 -1.340 1.00 . A A . 8 LYS HB3 1 1 11 3155 1 1 8 LYS HD2 H -6.048 -10.427 -3.191 1.00 . A A . 8 LYS HD2 1 1 11 3156 1 1 8 LYS HD3 H -6.617 -10.327 -1.523 1.00 . A A . 8 LYS HD3 1 1 11 3157 1 1 8 LYS HE2 H -8.912 -10.767 -2.300 1.00 . A A . 8 LYS HE2 1 1 11 3158 1 1 8 LYS HE3 H -8.313 -10.910 -3.952 1.00 . A A . 8 LYS HE3 1 1 11 3159 1 1 8 LYS HG2 H -8.079 -8.449 -2.156 1.00 . A A . 8 LYS HG2 1 1 11 3160 1 1 8 LYS HG3 H -7.450 -8.526 -3.802 1.00 . A A . 8 LYS HG3 1 1 11 3161 1 1 8 LYS HZ1 H -7.547 -12.653 -1.673 1.00 . A A . 8 LYS HZ1 1 1 11 3162 1 1 8 LYS HZ2 H -6.966 -12.800 -3.257 1.00 . A A . 8 LYS HZ2 1 1 11 3163 1 1 8 LYS HZ3 H -8.603 -13.074 -2.923 1.00 . A A . 8 LYS HZ3 1 1 11 3164 1 1 8 LYS N N -5.253 -5.501 -2.056 1.00 . A A . 8 LYS N 1 1 11 3165 1 1 8 LYS NZ N -7.774 -12.496 -2.676 1.00 . A A . 8 LYS NZ 1 1 11 3166 1 1 8 LYS O O -7.547 -6.356 -0.362 1.00 . A A . 8 LYS O 1 1 11 3167 1 1 9 SER C C -10.594 -4.293 -2.268 1.00 . A A . 9 SER C 1 1 11 3168 1 1 9 SER CA C -9.507 -4.665 -1.283 1.00 . A A . 9 SER CA 1 1 11 3169 1 1 9 SER CB C -9.010 -3.437 -0.481 1.00 . A A . 9 SER CB 1 1 11 3170 1 1 9 SER H H -8.355 -4.904 -2.965 1.00 . A A . 9 SER H 1 1 11 3171 1 1 9 SER HA H -9.863 -5.419 -0.598 1.00 . A A . 9 SER HA 1 1 11 3172 1 1 9 SER HB2 H -9.860 -2.880 -0.113 1.00 . A A . 9 SER HB2 1 1 11 3173 1 1 9 SER HB3 H -8.414 -3.775 0.353 1.00 . A A . 9 SER HB3 1 1 11 3174 1 1 9 SER HG H -8.748 -2.144 -1.979 1.00 . A A . 9 SER HG 1 1 11 3175 1 1 9 SER N N -8.410 -5.176 -2.026 1.00 . A A . 9 SER N 1 1 11 3176 1 1 9 SER O O -10.545 -4.728 -3.420 1.00 . A A . 9 SER O 1 1 11 3177 1 1 9 SER OG O -8.209 -2.566 -1.300 1.00 . A A . 9 SER OG 1 1 11 3178 1 1 10 TYR C C -12.695 -1.545 -2.470 1.00 . A A . 10 TYR C 1 1 11 3179 1 1 10 TYR CA C -12.572 -3.042 -2.720 1.00 . A A . 10 TYR CA 1 1 11 3180 1 1 10 TYR CB C -13.916 -3.753 -2.486 1.00 . A A . 10 TYR CB 1 1 11 3181 1 1 10 TYR CD1 C -15.066 -3.882 -4.732 1.00 . A A . 10 TYR CD1 1 1 11 3182 1 1 10 TYR CD2 C -15.956 -2.382 -3.106 1.00 . A A . 10 TYR CD2 1 1 11 3183 1 1 10 TYR CE1 C -16.046 -3.498 -5.627 1.00 . A A . 10 TYR CE1 1 1 11 3184 1 1 10 TYR CE2 C -16.937 -1.992 -3.996 1.00 . A A . 10 TYR CE2 1 1 11 3185 1 1 10 TYR CG C -15.003 -3.334 -3.457 1.00 . A A . 10 TYR CG 1 1 11 3186 1 1 10 TYR CZ C -16.978 -2.553 -5.254 1.00 . A A . 10 TYR CZ 1 1 11 3187 1 1 10 TYR H H -11.613 -3.259 -0.901 1.00 . A A . 10 TYR H 1 1 11 3188 1 1 10 TYR HA H -12.238 -3.202 -3.740 1.00 . A A . 10 TYR HA 1 1 11 3189 1 1 10 TYR HB2 H -13.773 -4.818 -2.588 1.00 . A A . 10 TYR HB2 1 1 11 3190 1 1 10 TYR HB3 H -14.259 -3.536 -1.485 1.00 . A A . 10 TYR HB3 1 1 11 3191 1 1 10 TYR HD1 H -14.336 -4.622 -5.021 1.00 . A A . 10 TYR HD1 1 1 11 3192 1 1 10 TYR HD2 H -15.921 -1.945 -2.119 1.00 . A A . 10 TYR HD2 1 1 11 3193 1 1 10 TYR HE1 H -16.079 -3.937 -6.613 1.00 . A A . 10 TYR HE1 1 1 11 3194 1 1 10 TYR HE2 H -17.667 -1.252 -3.705 1.00 . A A . 10 TYR HE2 1 1 11 3195 1 1 10 TYR HH H -18.345 -2.937 -6.556 1.00 . A A . 10 TYR HH 1 1 11 3196 1 1 10 TYR N N -11.560 -3.534 -1.839 1.00 . A A . 10 TYR N 1 1 11 3197 1 1 10 TYR O O -12.998 -1.133 -1.356 1.00 . A A . 10 TYR O 1 1 11 3198 1 1 10 TYR OH O -17.951 -2.165 -6.144 1.00 . A A . 10 TYR OH 1 1 11 3199 1 1 11 PRO C C -10.549 -1.732 -4.810 1.00 . A A . 11 PRO C 1 1 11 3200 1 1 11 PRO CA C -11.994 -1.191 -4.788 1.00 . A A . 11 PRO CA 1 1 11 3201 1 1 11 PRO CB C -12.107 0.040 -5.687 1.00 . A A . 11 PRO CB 1 1 11 3202 1 1 11 PRO CD C -12.476 0.735 -3.428 1.00 . A A . 11 PRO CD 1 1 11 3203 1 1 11 PRO CG C -12.772 1.090 -4.855 1.00 . A A . 11 PRO CG 1 1 11 3204 1 1 11 PRO HA H -12.692 -1.937 -5.130 1.00 . A A . 11 PRO HA 1 1 11 3205 1 1 11 PRO HB2 H -11.118 0.321 -6.018 1.00 . A A . 11 PRO HB2 1 1 11 3206 1 1 11 PRO HB3 H -12.731 -0.237 -6.523 1.00 . A A . 11 PRO HB3 1 1 11 3207 1 1 11 PRO HD2 H -11.531 1.156 -3.118 1.00 . A A . 11 PRO HD2 1 1 11 3208 1 1 11 PRO HD3 H -13.274 1.062 -2.777 1.00 . A A . 11 PRO HD3 1 1 11 3209 1 1 11 PRO HG2 H -12.367 2.061 -5.102 1.00 . A A . 11 PRO HG2 1 1 11 3210 1 1 11 PRO HG3 H -13.839 1.071 -5.017 1.00 . A A . 11 PRO HG3 1 1 11 3211 1 1 11 PRO N N -12.410 -0.721 -3.478 1.00 . A A . 11 PRO N 1 1 11 3212 1 1 11 PRO O O -9.702 -1.318 -4.006 1.00 . A A . 11 PRO O 1 1 11 3213 1 1 12 PRO C C -8.043 -2.223 -6.496 1.00 . A A . 12 PRO C 1 1 11 3214 1 1 12 PRO CA C -8.955 -3.281 -5.880 1.00 . A A . 12 PRO CA 1 1 11 3215 1 1 12 PRO CB C -9.193 -4.434 -6.874 1.00 . A A . 12 PRO CB 1 1 11 3216 1 1 12 PRO CD C -11.301 -3.374 -6.504 1.00 . A A . 12 PRO CD 1 1 11 3217 1 1 12 PRO CG C -10.662 -4.674 -6.873 1.00 . A A . 12 PRO CG 1 1 11 3218 1 1 12 PRO HA H -8.525 -3.647 -4.959 1.00 . A A . 12 PRO HA 1 1 11 3219 1 1 12 PRO HB2 H -8.838 -4.151 -7.854 1.00 . A A . 12 PRO HB2 1 1 11 3220 1 1 12 PRO HB3 H -8.690 -5.324 -6.529 1.00 . A A . 12 PRO HB3 1 1 11 3221 1 1 12 PRO HD2 H -11.533 -2.762 -7.357 1.00 . A A . 12 PRO HD2 1 1 11 3222 1 1 12 PRO HD3 H -12.208 -3.520 -5.942 1.00 . A A . 12 PRO HD3 1 1 11 3223 1 1 12 PRO HG2 H -10.981 -4.992 -7.855 1.00 . A A . 12 PRO HG2 1 1 11 3224 1 1 12 PRO HG3 H -10.915 -5.420 -6.134 1.00 . A A . 12 PRO HG3 1 1 11 3225 1 1 12 PRO N N -10.295 -2.719 -5.674 1.00 . A A . 12 PRO N 1 1 11 3226 1 1 12 PRO O O -8.341 -1.686 -7.572 1.00 . A A . 12 PRO O 1 1 11 3227 1 1 13 LYS C C -4.649 -0.965 -5.896 1.00 . A A . 13 LYS C 1 1 11 3228 1 1 13 LYS CA C -6.147 -0.797 -6.256 1.00 . A A . 13 LYS CA 1 1 11 3229 1 1 13 LYS CB C -6.740 0.457 -5.572 1.00 . A A . 13 LYS CB 1 1 11 3230 1 1 13 LYS CD C -5.806 2.128 -7.189 1.00 . A A . 13 LYS CD 1 1 11 3231 1 1 13 LYS CE C -4.956 3.379 -7.317 1.00 . A A . 13 LYS CE 1 1 11 3232 1 1 13 LYS CG C -5.969 1.749 -5.740 1.00 . A A . 13 LYS CG 1 1 11 3233 1 1 13 LYS H H -6.673 -2.422 -5.042 1.00 . A A . 13 LYS H 1 1 11 3234 1 1 13 LYS HA H -6.279 -0.673 -7.318 1.00 . A A . 13 LYS HA 1 1 11 3235 1 1 13 LYS HB2 H -7.738 0.614 -5.954 1.00 . A A . 13 LYS HB2 1 1 11 3236 1 1 13 LYS HB3 H -6.809 0.225 -4.520 1.00 . A A . 13 LYS HB3 1 1 11 3237 1 1 13 LYS HD2 H -5.327 1.293 -7.682 1.00 . A A . 13 LYS HD2 1 1 11 3238 1 1 13 LYS HD3 H -6.778 2.300 -7.624 1.00 . A A . 13 LYS HD3 1 1 11 3239 1 1 13 LYS HE2 H -5.463 4.197 -6.825 1.00 . A A . 13 LYS HE2 1 1 11 3240 1 1 13 LYS HE3 H -4.006 3.205 -6.833 1.00 . A A . 13 LYS HE3 1 1 11 3241 1 1 13 LYS HG2 H -6.498 2.543 -5.232 1.00 . A A . 13 LYS HG2 1 1 11 3242 1 1 13 LYS HG3 H -4.992 1.630 -5.294 1.00 . A A . 13 LYS HG3 1 1 11 3243 1 1 13 LYS HZ1 H -5.624 3.901 -9.215 1.00 . A A . 13 LYS HZ1 1 1 11 3244 1 1 13 LYS HZ2 H -4.197 2.984 -9.206 1.00 . A A . 13 LYS HZ2 1 1 11 3245 1 1 13 LYS HZ3 H -4.152 4.620 -8.773 1.00 . A A . 13 LYS HZ3 1 1 11 3246 1 1 13 LYS N N -6.954 -1.907 -5.830 1.00 . A A . 13 LYS N 1 1 11 3247 1 1 13 LYS NZ N -4.717 3.749 -8.731 1.00 . A A . 13 LYS NZ 1 1 11 3248 1 1 13 LYS O O -4.330 -1.356 -4.782 1.00 . A A . 13 LYS O 1 1 11 3249 1 1 14 PRO C C -2.142 0.501 -5.459 1.00 . A A . 14 PRO C 1 1 11 3250 1 1 14 PRO CA C -2.271 -0.590 -6.535 1.00 . A A . 14 PRO CA 1 1 11 3251 1 1 14 PRO CB C -1.631 -0.141 -7.863 1.00 . A A . 14 PRO CB 1 1 11 3252 1 1 14 PRO CD C -3.906 -0.743 -8.320 1.00 . A A . 14 PRO CD 1 1 11 3253 1 1 14 PRO CG C -2.777 0.122 -8.796 1.00 . A A . 14 PRO CG 1 1 11 3254 1 1 14 PRO HA H -1.857 -1.519 -6.189 1.00 . A A . 14 PRO HA 1 1 11 3255 1 1 14 PRO HB2 H -1.031 0.738 -7.689 1.00 . A A . 14 PRO HB2 1 1 11 3256 1 1 14 PRO HB3 H -1.018 -0.934 -8.264 1.00 . A A . 14 PRO HB3 1 1 11 3257 1 1 14 PRO HD2 H -4.856 -0.329 -8.618 1.00 . A A . 14 PRO HD2 1 1 11 3258 1 1 14 PRO HD3 H -3.800 -1.740 -8.723 1.00 . A A . 14 PRO HD3 1 1 11 3259 1 1 14 PRO HG2 H -3.050 1.166 -8.748 1.00 . A A . 14 PRO HG2 1 1 11 3260 1 1 14 PRO HG3 H -2.510 -0.154 -9.805 1.00 . A A . 14 PRO HG3 1 1 11 3261 1 1 14 PRO N N -3.699 -0.744 -6.869 1.00 . A A . 14 PRO N 1 1 11 3262 1 1 14 PRO O O -2.877 1.502 -5.530 1.00 . A A . 14 PRO O 1 1 11 3263 1 1 15 CYS C C -0.812 2.631 -3.669 1.00 . A A . 15 CYS C 1 1 11 3264 1 1 15 CYS CA C -1.319 1.232 -3.355 1.00 . A A . 15 CYS CA 1 1 11 3265 1 1 15 CYS CB C -0.618 0.648 -2.115 1.00 . A A . 15 CYS CB 1 1 11 3266 1 1 15 CYS H H -0.452 -0.236 -4.531 1.00 . A A . 15 CYS H 1 1 11 3267 1 1 15 CYS HA H -2.372 1.322 -3.131 1.00 . A A . 15 CYS HA 1 1 11 3268 1 1 15 CYS HB2 H -0.996 1.141 -1.231 1.00 . A A . 15 CYS HB2 1 1 11 3269 1 1 15 CYS HB3 H -0.845 -0.405 -2.053 1.00 . A A . 15 CYS HB3 1 1 11 3270 1 1 15 CYS N N -1.233 0.364 -4.488 1.00 . A A . 15 CYS N 1 1 11 3271 1 1 15 CYS O O -0.325 2.921 -4.765 1.00 . A A . 15 CYS O 1 1 11 3272 1 1 15 CYS SG S 1.184 0.829 -2.101 1.00 . A A . 15 CYS SG 1 1 11 3273 1 1 16 PHE C C 0.921 5.109 -2.505 1.00 . A A . 16 PHE C 1 1 11 3274 1 1 16 PHE CA C -0.568 4.876 -2.836 1.00 . A A . 16 PHE CA 1 1 11 3275 1 1 16 PHE CB C -1.491 5.723 -1.927 1.00 . A A . 16 PHE CB 1 1 11 3276 1 1 16 PHE CD1 C -1.799 7.892 -3.165 1.00 . A A . 16 PHE CD1 1 1 11 3277 1 1 16 PHE CD2 C -0.687 7.949 -1.054 1.00 . A A . 16 PHE CD2 1 1 11 3278 1 1 16 PHE CE1 C -1.644 9.260 -3.286 1.00 . A A . 16 PHE CE1 1 1 11 3279 1 1 16 PHE CE2 C -0.529 9.316 -1.171 1.00 . A A . 16 PHE CE2 1 1 11 3280 1 1 16 PHE CG C -1.324 7.220 -2.050 1.00 . A A . 16 PHE CG 1 1 11 3281 1 1 16 PHE CZ C -1.008 9.972 -2.288 1.00 . A A . 16 PHE CZ 1 1 11 3282 1 1 16 PHE H H -1.280 3.087 -1.872 1.00 . A A . 16 PHE H 1 1 11 3283 1 1 16 PHE HA H -0.741 5.158 -3.864 1.00 . A A . 16 PHE HA 1 1 11 3284 1 1 16 PHE HB2 H -2.520 5.495 -2.166 1.00 . A A . 16 PHE HB2 1 1 11 3285 1 1 16 PHE HB3 H -1.308 5.449 -0.898 1.00 . A A . 16 PHE HB3 1 1 11 3286 1 1 16 PHE HD1 H -2.296 7.336 -3.946 1.00 . A A . 16 PHE HD1 1 1 11 3287 1 1 16 PHE HD2 H -0.312 7.436 -0.181 1.00 . A A . 16 PHE HD2 1 1 11 3288 1 1 16 PHE HE1 H -2.020 9.772 -4.160 1.00 . A A . 16 PHE HE1 1 1 11 3289 1 1 16 PHE HE2 H -0.032 9.871 -0.388 1.00 . A A . 16 PHE HE2 1 1 11 3290 1 1 16 PHE HZ H -0.886 11.042 -2.380 1.00 . A A . 16 PHE HZ 1 1 11 3291 1 1 16 PHE N N -0.921 3.470 -2.698 1.00 . A A . 16 PHE N 1 1 11 3292 1 1 16 PHE O O 1.453 6.213 -2.691 1.00 . A A . 16 PHE O 1 1 11 3293 1 1 17 VAL C C 3.831 3.598 -2.860 1.00 . A A . 17 VAL C 1 1 11 3294 1 1 17 VAL CA C 2.995 4.169 -1.718 1.00 . A A . 17 VAL CA 1 1 11 3295 1 1 17 VAL CB C 3.317 3.414 -0.393 1.00 . A A . 17 VAL CB 1 1 11 3296 1 1 17 VAL CG1 C 4.774 3.609 0.010 1.00 . A A . 17 VAL CG1 1 1 11 3297 1 1 17 VAL CG2 C 2.388 3.867 0.729 1.00 . A A . 17 VAL CG2 1 1 11 3298 1 1 17 VAL H H 1.166 3.195 -2.018 1.00 . A A . 17 VAL H 1 1 11 3299 1 1 17 VAL HA H 3.236 5.216 -1.600 1.00 . A A . 17 VAL HA 1 1 11 3300 1 1 17 VAL HB H 3.157 2.360 -0.564 1.00 . A A . 17 VAL HB 1 1 11 3301 1 1 17 VAL HG11 H 5.417 3.231 -0.770 1.00 . A A . 17 VAL HG11 1 1 11 3302 1 1 17 VAL HG12 H 4.969 3.075 0.929 1.00 . A A . 17 VAL HG12 1 1 11 3303 1 1 17 VAL HG13 H 4.968 4.662 0.159 1.00 . A A . 17 VAL HG13 1 1 11 3304 1 1 17 VAL HG21 H 2.516 4.926 0.895 1.00 . A A . 17 VAL HG21 1 1 11 3305 1 1 17 VAL HG22 H 2.626 3.328 1.634 1.00 . A A . 17 VAL HG22 1 1 11 3306 1 1 17 VAL HG23 H 1.363 3.669 0.449 1.00 . A A . 17 VAL HG23 1 1 11 3307 1 1 17 VAL N N 1.595 4.074 -2.068 1.00 . A A . 17 VAL N 1 1 11 3308 1 1 17 VAL O O 3.946 2.388 -3.016 1.00 . A A . 17 VAL O 1 1 11 3309 1 1 18 ARG C C 6.346 4.991 -5.072 1.00 . A A . 18 ARG C 1 1 11 3310 1 1 18 ARG CA C 5.140 4.083 -4.821 1.00 . A A . 18 ARG CA 1 1 11 3311 1 1 18 ARG CB C 4.271 3.852 -6.097 1.00 . A A . 18 ARG CB 1 1 11 3312 1 1 18 ARG CD C 3.270 6.253 -6.258 1.00 . A A . 18 ARG CD 1 1 11 3313 1 1 18 ARG CG C 3.009 4.744 -6.309 1.00 . A A . 18 ARG CG 1 1 11 3314 1 1 18 ARG CZ C 3.669 7.868 -4.366 1.00 . A A . 18 ARG CZ 1 1 11 3315 1 1 18 ARG H H 4.236 5.431 -3.516 1.00 . A A . 18 ARG H 1 1 11 3316 1 1 18 ARG HA H 5.560 3.128 -4.538 1.00 . A A . 18 ARG HA 1 1 11 3317 1 1 18 ARG HB2 H 4.905 3.999 -6.958 1.00 . A A . 18 ARG HB2 1 1 11 3318 1 1 18 ARG HB3 H 3.953 2.820 -6.095 1.00 . A A . 18 ARG HB3 1 1 11 3319 1 1 18 ARG HD2 H 4.299 6.432 -6.529 1.00 . A A . 18 ARG HD2 1 1 11 3320 1 1 18 ARG HD3 H 2.623 6.741 -6.973 1.00 . A A . 18 ARG HD3 1 1 11 3321 1 1 18 ARG HE H 2.233 6.441 -4.456 1.00 . A A . 18 ARG HE 1 1 11 3322 1 1 18 ARG HG2 H 2.585 4.513 -7.274 1.00 . A A . 18 ARG HG2 1 1 11 3323 1 1 18 ARG HG3 H 2.288 4.486 -5.547 1.00 . A A . 18 ARG HG3 1 1 11 3324 1 1 18 ARG HH11 H 5.315 7.619 -5.511 1.00 . A A . 18 ARG HH11 1 1 11 3325 1 1 18 ARG HH12 H 5.413 8.966 -4.460 1.00 . A A . 18 ARG HH12 1 1 11 3326 1 1 18 ARG HH21 H 2.300 8.134 -2.892 1.00 . A A . 18 ARG HH21 1 1 11 3327 1 1 18 ARG HH22 H 3.586 9.261 -2.843 1.00 . A A . 18 ARG HH22 1 1 11 3328 1 1 18 ARG N N 4.361 4.473 -3.674 1.00 . A A . 18 ARG N 1 1 11 3329 1 1 18 ARG NE N 3.018 6.830 -4.909 1.00 . A A . 18 ARG NE 1 1 11 3330 1 1 18 ARG NH1 N 4.883 8.188 -4.795 1.00 . A A . 18 ARG NH1 1 1 11 3331 1 1 18 ARG NH2 N 3.162 8.472 -3.288 1.00 . A A . 18 ARG NH2 1 1 11 3332 1 1 18 ARG O O 7.471 4.643 -4.618 1.00 . A A . 18 ARG O 1 1 11 3333 1 1 18 ARG OXT O 6.217 6.047 -5.730 1.00 . A A . 18 ARG OXT 1 1 12 3334 1 1 1 LEU C C 7.041 -6.424 -1.749 1.00 . A A . 1 LEU C 1 1 12 3335 1 1 1 LEU CA C 6.393 -5.342 -0.929 1.00 . A A . 1 LEU CA 1 1 12 3336 1 1 1 LEU CB C 6.275 -4.022 -1.754 1.00 . A A . 1 LEU CB 1 1 12 3337 1 1 1 LEU CD1 C 7.174 -2.315 -3.372 1.00 . A A . 1 LEU CD1 1 1 12 3338 1 1 1 LEU CD2 C 8.534 -2.877 -1.377 1.00 . A A . 1 LEU CD2 1 1 12 3339 1 1 1 LEU CG C 7.556 -3.429 -2.414 1.00 . A A . 1 LEU CG 1 1 12 3340 1 1 1 LEU H1 H 7.169 -6.069 0.810 1.00 . A A . 1 LEU H1 1 1 12 3341 1 1 1 LEU HA H 5.412 -5.686 -0.632 1.00 . A A . 1 LEU HA 1 1 12 3342 1 1 1 LEU HB2 H 5.561 -4.198 -2.546 1.00 . A A . 1 LEU HB2 1 1 12 3343 1 1 1 LEU HB3 H 5.858 -3.269 -1.100 1.00 . A A . 1 LEU HB3 1 1 12 3344 1 1 1 LEU HD11 H 8.066 -1.908 -3.824 1.00 . A A . 1 LEU HD11 1 1 12 3345 1 1 1 LEU HD12 H 6.658 -1.535 -2.830 1.00 . A A . 1 LEU HD12 1 1 12 3346 1 1 1 LEU HD13 H 6.527 -2.706 -4.143 1.00 . A A . 1 LEU HD13 1 1 12 3347 1 1 1 LEU HD21 H 8.890 -3.670 -0.738 1.00 . A A . 1 LEU HD21 1 1 12 3348 1 1 1 LEU HD22 H 8.041 -2.122 -0.783 1.00 . A A . 1 LEU HD22 1 1 12 3349 1 1 1 LEU HD23 H 9.375 -2.432 -1.889 1.00 . A A . 1 LEU HD23 1 1 12 3350 1 1 1 LEU HG H 8.050 -4.204 -2.983 1.00 . A A . 1 LEU HG 1 1 12 3351 1 1 1 LEU N N 7.193 -5.171 0.287 1.00 . A A . 1 LEU N 1 1 12 3352 1 1 1 LEU O O 8.199 -6.733 -1.509 1.00 . A A . 1 LEU O 1 1 12 3353 1 1 2 VAL C C 6.618 -7.641 -4.955 1.00 . A A . 2 VAL C 1 1 12 3354 1 1 2 VAL CA C 6.836 -8.060 -3.522 1.00 . A A . 2 VAL CA 1 1 12 3355 1 1 2 VAL CB C 6.124 -9.428 -3.265 1.00 . A A . 2 VAL CB 1 1 12 3356 1 1 2 VAL CG1 C 6.710 -10.526 -4.149 1.00 . A A . 2 VAL CG1 1 1 12 3357 1 1 2 VAL CG2 C 6.216 -9.831 -1.796 1.00 . A A . 2 VAL CG2 1 1 12 3358 1 1 2 VAL H H 5.395 -6.708 -2.866 1.00 . A A . 2 VAL H 1 1 12 3359 1 1 2 VAL HA H 7.895 -8.157 -3.333 1.00 . A A . 2 VAL HA 1 1 12 3360 1 1 2 VAL HB H 5.081 -9.313 -3.525 1.00 . A A . 2 VAL HB 1 1 12 3361 1 1 2 VAL HG11 H 7.763 -10.640 -3.934 1.00 . A A . 2 VAL HG11 1 1 12 3362 1 1 2 VAL HG12 H 6.582 -10.260 -5.188 1.00 . A A . 2 VAL HG12 1 1 12 3363 1 1 2 VAL HG13 H 6.200 -11.458 -3.952 1.00 . A A . 2 VAL HG13 1 1 12 3364 1 1 2 VAL HG21 H 5.747 -9.074 -1.186 1.00 . A A . 2 VAL HG21 1 1 12 3365 1 1 2 VAL HG22 H 7.255 -9.927 -1.516 1.00 . A A . 2 VAL HG22 1 1 12 3366 1 1 2 VAL HG23 H 5.715 -10.776 -1.649 1.00 . A A . 2 VAL HG23 1 1 12 3367 1 1 2 VAL N N 6.313 -7.000 -2.677 1.00 . A A . 2 VAL N 1 1 12 3368 1 1 2 VAL O O 5.475 -7.590 -5.409 1.00 . A A . 2 VAL O 1 1 12 3369 1 1 3 ARG C C 7.087 -5.346 -7.125 1.00 . A A . 3 ARG C 1 1 12 3370 1 1 3 ARG CA C 7.706 -6.753 -7.021 1.00 . A A . 3 ARG CA 1 1 12 3371 1 1 3 ARG CB C 7.041 -7.761 -8.004 1.00 . A A . 3 ARG CB 1 1 12 3372 1 1 3 ARG CD C 8.316 -7.085 -10.157 1.00 . A A . 3 ARG CD 1 1 12 3373 1 1 3 ARG CG C 6.946 -7.324 -9.487 1.00 . A A . 3 ARG CG 1 1 12 3374 1 1 3 ARG CZ C 10.239 -5.477 -9.958 1.00 . A A . 3 ARG CZ 1 1 12 3375 1 1 3 ARG H H 8.564 -7.289 -5.149 1.00 . A A . 3 ARG H 1 1 12 3376 1 1 3 ARG HA H 8.749 -6.644 -7.286 1.00 . A A . 3 ARG HA 1 1 12 3377 1 1 3 ARG HB2 H 7.602 -8.684 -7.973 1.00 . A A . 3 ARG HB2 1 1 12 3378 1 1 3 ARG HB3 H 6.042 -7.962 -7.648 1.00 . A A . 3 ARG HB3 1 1 12 3379 1 1 3 ARG HD2 H 8.954 -7.931 -9.946 1.00 . A A . 3 ARG HD2 1 1 12 3380 1 1 3 ARG HD3 H 8.170 -7.008 -11.224 1.00 . A A . 3 ARG HD3 1 1 12 3381 1 1 3 ARG HE H 8.423 -5.284 -9.098 1.00 . A A . 3 ARG HE 1 1 12 3382 1 1 3 ARG HG2 H 6.429 -8.092 -10.041 1.00 . A A . 3 ARG HG2 1 1 12 3383 1 1 3 ARG HG3 H 6.370 -6.411 -9.534 1.00 . A A . 3 ARG HG3 1 1 12 3384 1 1 3 ARG HH11 H 10.680 -7.091 -11.138 1.00 . A A . 3 ARG HH11 1 1 12 3385 1 1 3 ARG HH12 H 11.959 -5.981 -10.981 1.00 . A A . 3 ARG HH12 1 1 12 3386 1 1 3 ARG HH21 H 10.131 -3.761 -8.855 1.00 . A A . 3 ARG HH21 1 1 12 3387 1 1 3 ARG HH22 H 11.632 -3.989 -9.620 1.00 . A A . 3 ARG HH22 1 1 12 3388 1 1 3 ARG N N 7.709 -7.248 -5.624 1.00 . A A . 3 ARG N 1 1 12 3389 1 1 3 ARG NE N 8.987 -5.857 -9.675 1.00 . A A . 3 ARG NE 1 1 12 3390 1 1 3 ARG NH1 N 11.017 -6.232 -10.745 1.00 . A A . 3 ARG NH1 1 1 12 3391 1 1 3 ARG NH2 N 10.707 -4.334 -9.446 1.00 . A A . 3 ARG NH2 1 1 12 3392 1 1 3 ARG O O 7.681 -4.445 -7.729 1.00 . A A . 3 ARG O 1 1 12 3393 1 1 4 GLY C C 4.331 -3.910 -5.346 1.00 . A A . 4 GLY C 1 1 12 3394 1 1 4 GLY CA C 5.256 -3.933 -6.526 1.00 . A A . 4 GLY CA 1 1 12 3395 1 1 4 GLY H H 5.522 -5.952 -6.100 1.00 . A A . 4 GLY H 1 1 12 3396 1 1 4 GLY HA2 H 5.976 -3.130 -6.448 1.00 . A A . 4 GLY HA2 1 1 12 3397 1 1 4 GLY HA3 H 4.675 -3.817 -7.428 1.00 . A A . 4 GLY HA3 1 1 12 3398 1 1 4 GLY N N 5.940 -5.182 -6.552 1.00 . A A . 4 GLY N 1 1 12 3399 1 1 4 GLY O O 4.484 -4.728 -4.417 1.00 . A A . 4 GLY O 1 1 12 3400 1 1 5 CYS C C 1.114 -2.596 -4.807 1.00 . A A . 5 CYS C 1 1 12 3401 1 1 5 CYS CA C 2.439 -2.952 -4.276 1.00 . A A . 5 CYS CA 1 1 12 3402 1 1 5 CYS CB C 2.872 -1.990 -3.194 1.00 . A A . 5 CYS CB 1 1 12 3403 1 1 5 CYS H H 3.285 -2.384 -6.087 1.00 . A A . 5 CYS H 1 1 12 3404 1 1 5 CYS HA H 2.260 -3.915 -3.830 1.00 . A A . 5 CYS HA 1 1 12 3405 1 1 5 CYS HB2 H 3.913 -2.162 -3.007 1.00 . A A . 5 CYS HB2 1 1 12 3406 1 1 5 CYS HB3 H 2.804 -0.978 -3.548 1.00 . A A . 5 CYS HB3 1 1 12 3407 1 1 5 CYS N N 3.384 -3.021 -5.348 1.00 . A A . 5 CYS N 1 1 12 3408 1 1 5 CYS O O 0.960 -1.646 -5.579 1.00 . A A . 5 CYS O 1 1 12 3409 1 1 5 CYS SG S 1.923 -2.157 -1.635 1.00 . A A . 5 CYS SG 1 1 12 3410 1 1 6 TRP C C -2.070 -3.784 -3.734 1.00 . A A . 6 TRP C 1 1 12 3411 1 1 6 TRP CA C -1.165 -3.249 -4.840 1.00 . A A . 6 TRP CA 1 1 12 3412 1 1 6 TRP CB C -1.265 -3.929 -6.218 1.00 . A A . 6 TRP CB 1 1 12 3413 1 1 6 TRP CD1 C -2.460 -6.139 -6.242 1.00 . A A . 6 TRP CD1 1 1 12 3414 1 1 6 TRP CD2 C -3.639 -4.450 -7.077 1.00 . A A . 6 TRP CD2 1 1 12 3415 1 1 6 TRP CE2 C -4.415 -5.609 -7.180 1.00 . A A . 6 TRP CE2 1 1 12 3416 1 1 6 TRP CE3 C -4.152 -3.252 -7.532 1.00 . A A . 6 TRP CE3 1 1 12 3417 1 1 6 TRP CG C -2.412 -4.812 -6.478 1.00 . A A . 6 TRP CG 1 1 12 3418 1 1 6 TRP CH2 C -6.172 -4.388 -8.173 1.00 . A A . 6 TRP CH2 1 1 12 3419 1 1 6 TRP CZ2 C -5.691 -5.597 -7.732 1.00 . A A . 6 TRP CZ2 1 1 12 3420 1 1 6 TRP CZ3 C -5.406 -3.223 -8.073 1.00 . A A . 6 TRP CZ3 1 1 12 3421 1 1 6 TRP H H 0.361 -4.067 -3.755 1.00 . A A . 6 TRP H 1 1 12 3422 1 1 6 TRP HA H -1.360 -2.195 -4.936 1.00 . A A . 6 TRP HA 1 1 12 3423 1 1 6 TRP HB2 H -1.296 -3.154 -6.970 1.00 . A A . 6 TRP HB2 1 1 12 3424 1 1 6 TRP HB3 H -0.360 -4.498 -6.370 1.00 . A A . 6 TRP HB3 1 1 12 3425 1 1 6 TRP HD1 H -1.624 -6.651 -5.781 1.00 . A A . 6 TRP HD1 1 1 12 3426 1 1 6 TRP HE1 H -3.983 -7.572 -6.615 1.00 . A A . 6 TRP HE1 1 1 12 3427 1 1 6 TRP HE3 H -3.575 -2.342 -7.462 1.00 . A A . 6 TRP HE3 1 1 12 3428 1 1 6 TRP HH2 H -7.158 -4.322 -8.607 1.00 . A A . 6 TRP HH2 1 1 12 3429 1 1 6 TRP HZ2 H -6.290 -6.492 -7.813 1.00 . A A . 6 TRP HZ2 1 1 12 3430 1 1 6 TRP HZ3 H -5.796 -2.268 -8.403 1.00 . A A . 6 TRP HZ3 1 1 12 3431 1 1 6 TRP N N 0.167 -3.372 -4.415 1.00 . A A . 6 TRP N 1 1 12 3432 1 1 6 TRP NE1 N -3.672 -6.643 -6.657 1.00 . A A . 6 TRP NE1 1 1 12 3433 1 1 6 TRP O O -1.825 -4.894 -3.204 1.00 . A A . 6 TRP O 1 1 12 3434 1 1 7 THR C C -5.071 -4.174 -2.636 1.00 . A A . 7 THR C 1 1 12 3435 1 1 7 THR CA C -3.901 -3.298 -2.218 1.00 . A A . 7 THR CA 1 1 12 3436 1 1 7 THR CB C -4.433 -1.995 -1.524 1.00 . A A . 7 THR CB 1 1 12 3437 1 1 7 THR CG2 C -3.280 -1.068 -1.155 1.00 . A A . 7 THR CG2 1 1 12 3438 1 1 7 THR H H -3.262 -2.183 -3.865 1.00 . A A . 7 THR H 1 1 12 3439 1 1 7 THR HA H -3.303 -3.844 -1.502 1.00 . A A . 7 THR HA 1 1 12 3440 1 1 7 THR HB H -4.962 -2.268 -0.622 1.00 . A A . 7 THR HB 1 1 12 3441 1 1 7 THR HG1 H -4.837 -1.035 -3.195 1.00 . A A . 7 THR HG1 1 1 12 3442 1 1 7 THR HG21 H -2.746 -0.790 -2.053 1.00 . A A . 7 THR HG21 1 1 12 3443 1 1 7 THR HG22 H -2.607 -1.566 -0.474 1.00 . A A . 7 THR HG22 1 1 12 3444 1 1 7 THR HG23 H -3.674 -0.173 -0.697 1.00 . A A . 7 THR HG23 1 1 12 3445 1 1 7 THR N N -3.054 -2.996 -3.352 1.00 . A A . 7 THR N 1 1 12 3446 1 1 7 THR O O -5.624 -4.013 -3.738 1.00 . A A . 7 THR O 1 1 12 3447 1 1 7 THR OG1 O -5.318 -1.280 -2.395 1.00 . A A . 7 THR OG1 1 1 12 3448 1 1 8 LYS C C -7.678 -5.560 -1.159 1.00 . A A . 8 LYS C 1 1 12 3449 1 1 8 LYS CA C -6.524 -6.005 -2.015 1.00 . A A . 8 LYS CA 1 1 12 3450 1 1 8 LYS CB C -6.168 -7.488 -1.694 1.00 . A A . 8 LYS CB 1 1 12 3451 1 1 8 LYS CD C -3.697 -7.562 -2.316 1.00 . A A . 8 LYS CD 1 1 12 3452 1 1 8 LYS CE C -2.652 -8.183 -3.219 1.00 . A A . 8 LYS CE 1 1 12 3453 1 1 8 LYS CG C -5.082 -8.137 -2.574 1.00 . A A . 8 LYS CG 1 1 12 3454 1 1 8 LYS H H -4.973 -5.168 -0.907 1.00 . A A . 8 LYS H 1 1 12 3455 1 1 8 LYS HA H -6.803 -5.917 -3.054 1.00 . A A . 8 LYS HA 1 1 12 3456 1 1 8 LYS HB2 H -5.830 -7.540 -0.670 1.00 . A A . 8 LYS HB2 1 1 12 3457 1 1 8 LYS HB3 H -7.070 -8.075 -1.782 1.00 . A A . 8 LYS HB3 1 1 12 3458 1 1 8 LYS HD2 H -3.720 -6.498 -2.493 1.00 . A A . 8 LYS HD2 1 1 12 3459 1 1 8 LYS HD3 H -3.429 -7.747 -1.285 1.00 . A A . 8 LYS HD3 1 1 12 3460 1 1 8 LYS HE2 H -2.591 -9.241 -3.012 1.00 . A A . 8 LYS HE2 1 1 12 3461 1 1 8 LYS HE3 H -2.946 -8.033 -4.248 1.00 . A A . 8 LYS HE3 1 1 12 3462 1 1 8 LYS HG2 H -5.056 -9.197 -2.373 1.00 . A A . 8 LYS HG2 1 1 12 3463 1 1 8 LYS HG3 H -5.342 -7.979 -3.610 1.00 . A A . 8 LYS HG3 1 1 12 3464 1 1 8 LYS HZ1 H -1.400 -6.537 -3.145 1.00 . A A . 8 LYS HZ1 1 1 12 3465 1 1 8 LYS HZ2 H -0.618 -7.951 -3.667 1.00 . A A . 8 LYS HZ2 1 1 12 3466 1 1 8 LYS HZ3 H -1.000 -7.736 -2.028 1.00 . A A . 8 LYS HZ3 1 1 12 3467 1 1 8 LYS N N -5.425 -5.106 -1.774 1.00 . A A . 8 LYS N 1 1 12 3468 1 1 8 LYS NZ N -1.320 -7.569 -3.002 1.00 . A A . 8 LYS NZ 1 1 12 3469 1 1 8 LYS O O -7.614 -5.637 0.062 1.00 . A A . 8 LYS O 1 1 12 3470 1 1 9 SER C C -10.919 -4.533 -2.221 1.00 . A A . 9 SER C 1 1 12 3471 1 1 9 SER CA C -9.845 -4.548 -1.153 1.00 . A A . 9 SER CA 1 1 12 3472 1 1 9 SER CB C -9.556 -3.115 -0.623 1.00 . A A . 9 SER CB 1 1 12 3473 1 1 9 SER H H -8.693 -5.026 -2.774 1.00 . A A . 9 SER H 1 1 12 3474 1 1 9 SER HA H -10.127 -5.201 -0.339 1.00 . A A . 9 SER HA 1 1 12 3475 1 1 9 SER HB2 H -8.684 -3.143 0.015 1.00 . A A . 9 SER HB2 1 1 12 3476 1 1 9 SER HB3 H -9.358 -2.464 -1.463 1.00 . A A . 9 SER HB3 1 1 12 3477 1 1 9 SER HG H -10.507 -1.639 0.230 1.00 . A A . 9 SER HG 1 1 12 3478 1 1 9 SER N N -8.680 -5.056 -1.795 1.00 . A A . 9 SER N 1 1 12 3479 1 1 9 SER O O -10.750 -5.182 -3.264 1.00 . A A . 9 SER O 1 1 12 3480 1 1 9 SER OG O -10.647 -2.584 0.127 1.00 . A A . 9 SER OG 1 1 12 3481 1 1 10 TYR C C -13.497 -2.248 -2.975 1.00 . A A . 10 TYR C 1 1 12 3482 1 1 10 TYR CA C -13.008 -3.696 -2.980 1.00 . A A . 10 TYR CA 1 1 12 3483 1 1 10 TYR CB C -14.169 -4.676 -2.725 1.00 . A A . 10 TYR CB 1 1 12 3484 1 1 10 TYR CD1 C -15.032 -5.343 -5.005 1.00 . A A . 10 TYR CD1 1 1 12 3485 1 1 10 TYR CD2 C -16.422 -3.961 -3.646 1.00 . A A . 10 TYR CD2 1 1 12 3486 1 1 10 TYR CE1 C -15.988 -5.330 -6.003 1.00 . A A . 10 TYR CE1 1 1 12 3487 1 1 10 TYR CE2 C -17.382 -3.943 -4.640 1.00 . A A . 10 TYR CE2 1 1 12 3488 1 1 10 TYR CG C -15.231 -4.662 -3.811 1.00 . A A . 10 TYR CG 1 1 12 3489 1 1 10 TYR CZ C -17.159 -4.629 -5.816 1.00 . A A . 10 TYR CZ 1 1 12 3490 1 1 10 TYR H H -12.067 -3.358 -1.138 1.00 . A A . 10 TYR H 1 1 12 3491 1 1 10 TYR HA H -12.546 -3.922 -3.932 1.00 . A A . 10 TYR HA 1 1 12 3492 1 1 10 TYR HB2 H -13.776 -5.680 -2.662 1.00 . A A . 10 TYR HB2 1 1 12 3493 1 1 10 TYR HB3 H -14.644 -4.423 -1.789 1.00 . A A . 10 TYR HB3 1 1 12 3494 1 1 10 TYR HD1 H -14.114 -5.892 -5.149 1.00 . A A . 10 TYR HD1 1 1 12 3495 1 1 10 TYR HD2 H -16.595 -3.426 -2.724 1.00 . A A . 10 TYR HD2 1 1 12 3496 1 1 10 TYR HE1 H -15.815 -5.866 -6.923 1.00 . A A . 10 TYR HE1 1 1 12 3497 1 1 10 TYR HE2 H -18.300 -3.393 -4.495 1.00 . A A . 10 TYR HE2 1 1 12 3498 1 1 10 TYR HH H -18.245 -5.499 -7.146 1.00 . A A . 10 TYR HH 1 1 12 3499 1 1 10 TYR N N -11.983 -3.832 -1.996 1.00 . A A . 10 TYR N 1 1 12 3500 1 1 10 TYR O O -14.154 -1.819 -2.034 1.00 . A A . 10 TYR O 1 1 12 3501 1 1 10 TYR OH O -18.110 -4.610 -6.809 1.00 . A A . 10 TYR OH 1 1 12 3502 1 1 11 PRO C C -10.792 -1.968 -4.707 1.00 . A A . 11 PRO C 1 1 12 3503 1 1 11 PRO CA C -12.282 -1.915 -5.083 1.00 . A A . 11 PRO CA 1 1 12 3504 1 1 11 PRO CB C -12.501 -0.883 -6.187 1.00 . A A . 11 PRO CB 1 1 12 3505 1 1 11 PRO CD C -13.547 -0.083 -4.191 1.00 . A A . 11 PRO CD 1 1 12 3506 1 1 11 PRO CG C -13.581 0.025 -5.687 1.00 . A A . 11 PRO CG 1 1 12 3507 1 1 11 PRO HA H -12.613 -2.877 -5.445 1.00 . A A . 11 PRO HA 1 1 12 3508 1 1 11 PRO HB2 H -11.566 -0.374 -6.377 1.00 . A A . 11 PRO HB2 1 1 12 3509 1 1 11 PRO HB3 H -12.827 -1.437 -7.052 1.00 . A A . 11 PRO HB3 1 1 12 3510 1 1 11 PRO HD2 H -12.823 0.601 -3.774 1.00 . A A . 11 PRO HD2 1 1 12 3511 1 1 11 PRO HD3 H -14.526 0.091 -3.770 1.00 . A A . 11 PRO HD3 1 1 12 3512 1 1 11 PRO HG2 H -13.383 1.039 -6.007 1.00 . A A . 11 PRO HG2 1 1 12 3513 1 1 11 PRO HG3 H -14.542 -0.307 -6.051 1.00 . A A . 11 PRO HG3 1 1 12 3514 1 1 11 PRO N N -13.135 -1.465 -3.998 1.00 . A A . 11 PRO N 1 1 12 3515 1 1 11 PRO O O -10.321 -1.205 -3.859 1.00 . A A . 11 PRO O 1 1 12 3516 1 1 12 PRO C C -7.857 -1.995 -5.910 1.00 . A A . 12 PRO C 1 1 12 3517 1 1 12 PRO CA C -8.630 -3.041 -5.093 1.00 . A A . 12 PRO CA 1 1 12 3518 1 1 12 PRO CB C -8.339 -4.467 -5.569 1.00 . A A . 12 PRO CB 1 1 12 3519 1 1 12 PRO CD C -10.586 -3.864 -6.275 1.00 . A A . 12 PRO CD 1 1 12 3520 1 1 12 PRO CG C -9.453 -4.833 -6.506 1.00 . A A . 12 PRO CG 1 1 12 3521 1 1 12 PRO HA H -8.383 -2.928 -4.047 1.00 . A A . 12 PRO HA 1 1 12 3522 1 1 12 PRO HB2 H -7.382 -4.490 -6.069 1.00 . A A . 12 PRO HB2 1 1 12 3523 1 1 12 PRO HB3 H -8.341 -5.148 -4.731 1.00 . A A . 12 PRO HB3 1 1 12 3524 1 1 12 PRO HD2 H -10.877 -3.351 -7.176 1.00 . A A . 12 PRO HD2 1 1 12 3525 1 1 12 PRO HD3 H -11.473 -4.333 -5.882 1.00 . A A . 12 PRO HD3 1 1 12 3526 1 1 12 PRO HG2 H -9.104 -4.765 -7.526 1.00 . A A . 12 PRO HG2 1 1 12 3527 1 1 12 PRO HG3 H -9.793 -5.837 -6.297 1.00 . A A . 12 PRO HG3 1 1 12 3528 1 1 12 PRO N N -10.062 -2.895 -5.311 1.00 . A A . 12 PRO N 1 1 12 3529 1 1 12 PRO O O -8.281 -1.627 -7.013 1.00 . A A . 12 PRO O 1 1 12 3530 1 1 13 LYS C C -4.536 -0.459 -5.751 1.00 . A A . 13 LYS C 1 1 12 3531 1 1 13 LYS CA C -6.065 -0.389 -6.032 1.00 . A A . 13 LYS CA 1 1 12 3532 1 1 13 LYS CB C -6.705 0.874 -5.433 1.00 . A A . 13 LYS CB 1 1 12 3533 1 1 13 LYS CD C -5.303 2.876 -6.167 1.00 . A A . 13 LYS CD 1 1 12 3534 1 1 13 LYS CE C -5.070 3.472 -4.784 1.00 . A A . 13 LYS CE 1 1 12 3535 1 1 13 LYS CG C -6.634 2.163 -6.258 1.00 . A A . 13 LYS CG 1 1 12 3536 1 1 13 LYS H H -6.365 -1.931 -4.583 1.00 . A A . 13 LYS H 1 1 12 3537 1 1 13 LYS HA H -6.259 -0.417 -7.093 1.00 . A A . 13 LYS HA 1 1 12 3538 1 1 13 LYS HB2 H -7.741 0.668 -5.205 1.00 . A A . 13 LYS HB2 1 1 12 3539 1 1 13 LYS HB3 H -6.162 1.012 -4.512 1.00 . A A . 13 LYS HB3 1 1 12 3540 1 1 13 LYS HD2 H -4.526 2.153 -6.371 1.00 . A A . 13 LYS HD2 1 1 12 3541 1 1 13 LYS HD3 H -5.270 3.663 -6.906 1.00 . A A . 13 LYS HD3 1 1 12 3542 1 1 13 LYS HE2 H -5.862 4.171 -4.562 1.00 . A A . 13 LYS HE2 1 1 12 3543 1 1 13 LYS HE3 H -5.068 2.681 -4.048 1.00 . A A . 13 LYS HE3 1 1 12 3544 1 1 13 LYS HG2 H -6.827 1.925 -7.293 1.00 . A A . 13 LYS HG2 1 1 12 3545 1 1 13 LYS HG3 H -7.413 2.815 -5.895 1.00 . A A . 13 LYS HG3 1 1 12 3546 1 1 13 LYS HZ1 H -3.576 4.592 -3.801 1.00 . A A . 13 LYS HZ1 1 1 12 3547 1 1 13 LYS HZ2 H -3.812 4.949 -5.440 1.00 . A A . 13 LYS HZ2 1 1 12 3548 1 1 13 LYS HZ3 H -3.024 3.523 -5.009 1.00 . A A . 13 LYS HZ3 1 1 12 3549 1 1 13 LYS N N -6.742 -1.512 -5.389 1.00 . A A . 13 LYS N 1 1 12 3550 1 1 13 LYS NZ N -3.784 4.175 -4.730 1.00 . A A . 13 LYS NZ 1 1 12 3551 1 1 13 LYS O O -4.138 -0.853 -4.664 1.00 . A A . 13 LYS O 1 1 12 3552 1 1 14 PRO C C -1.720 0.764 -5.355 1.00 . A A . 14 PRO C 1 1 12 3553 1 1 14 PRO CA C -2.185 -0.152 -6.521 1.00 . A A . 14 PRO CA 1 1 12 3554 1 1 14 PRO CB C -1.622 0.334 -7.865 1.00 . A A . 14 PRO CB 1 1 12 3555 1 1 14 PRO CD C -3.994 0.297 -8.104 1.00 . A A . 14 PRO CD 1 1 12 3556 1 1 14 PRO CG C -2.759 1.029 -8.536 1.00 . A A . 14 PRO CG 1 1 12 3557 1 1 14 PRO HA H -1.870 -1.166 -6.340 1.00 . A A . 14 PRO HA 1 1 12 3558 1 1 14 PRO HB2 H -0.780 0.984 -7.686 1.00 . A A . 14 PRO HB2 1 1 12 3559 1 1 14 PRO HB3 H -1.317 -0.511 -8.463 1.00 . A A . 14 PRO HB3 1 1 12 3560 1 1 14 PRO HD2 H -4.852 0.953 -8.122 1.00 . A A . 14 PRO HD2 1 1 12 3561 1 1 14 PRO HD3 H -4.164 -0.564 -8.733 1.00 . A A . 14 PRO HD3 1 1 12 3562 1 1 14 PRO HG2 H -2.794 2.061 -8.216 1.00 . A A . 14 PRO HG2 1 1 12 3563 1 1 14 PRO HG3 H -2.660 0.967 -9.609 1.00 . A A . 14 PRO HG3 1 1 12 3564 1 1 14 PRO N N -3.655 -0.117 -6.727 1.00 . A A . 14 PRO N 1 1 12 3565 1 1 14 PRO O O -2.354 1.807 -5.081 1.00 . A A . 14 PRO O 1 1 12 3566 1 1 15 CYS C C 0.495 2.441 -3.937 1.00 . A A . 15 CYS C 1 1 12 3567 1 1 15 CYS CA C -0.168 1.151 -3.514 1.00 . A A . 15 CYS CA 1 1 12 3568 1 1 15 CYS CB C 0.806 0.350 -2.756 1.00 . A A . 15 CYS CB 1 1 12 3569 1 1 15 CYS H H -0.063 -0.381 -4.904 1.00 . A A . 15 CYS H 1 1 12 3570 1 1 15 CYS HA H -1.013 1.367 -2.879 1.00 . A A . 15 CYS HA 1 1 12 3571 1 1 15 CYS HB2 H 1.407 0.096 -3.605 1.00 . A A . 15 CYS HB2 1 1 12 3572 1 1 15 CYS HB3 H 1.423 0.887 -2.059 1.00 . A A . 15 CYS HB3 1 1 12 3573 1 1 15 CYS N N -0.633 0.395 -4.664 1.00 . A A . 15 CYS N 1 1 12 3574 1 1 15 CYS O O 1.654 2.476 -4.320 1.00 . A A . 15 CYS O 1 1 12 3575 1 1 15 CYS SG S 0.196 -1.185 -2.021 1.00 . A A . 15 CYS SG 1 1 12 3576 1 1 16 PHE C C -0.818 5.694 -3.404 1.00 . A A . 16 PHE C 1 1 12 3577 1 1 16 PHE CA C 0.085 4.812 -4.216 1.00 . A A . 16 PHE CA 1 1 12 3578 1 1 16 PHE CB C -0.101 5.159 -5.714 1.00 . A A . 16 PHE CB 1 1 12 3579 1 1 16 PHE CD1 C 2.146 4.825 -6.783 1.00 . A A . 16 PHE CD1 1 1 12 3580 1 1 16 PHE CD2 C 0.355 3.403 -7.448 1.00 . A A . 16 PHE CD2 1 1 12 3581 1 1 16 PHE CE1 C 2.993 4.177 -7.660 1.00 . A A . 16 PHE CE1 1 1 12 3582 1 1 16 PHE CE2 C 1.195 2.750 -8.328 1.00 . A A . 16 PHE CE2 1 1 12 3583 1 1 16 PHE CG C 0.819 4.444 -6.665 1.00 . A A . 16 PHE CG 1 1 12 3584 1 1 16 PHE CZ C 2.516 3.138 -8.434 1.00 . A A . 16 PHE CZ 1 1 12 3585 1 1 16 PHE H H -1.182 3.214 -3.607 1.00 . A A . 16 PHE H 1 1 12 3586 1 1 16 PHE HA H 1.112 4.971 -3.921 1.00 . A A . 16 PHE HA 1 1 12 3587 1 1 16 PHE HB2 H -1.112 4.916 -6.003 1.00 . A A . 16 PHE HB2 1 1 12 3588 1 1 16 PHE HB3 H 0.047 6.221 -5.840 1.00 . A A . 16 PHE HB3 1 1 12 3589 1 1 16 PHE HD1 H 2.519 5.636 -6.175 1.00 . A A . 16 PHE HD1 1 1 12 3590 1 1 16 PHE HD2 H -0.680 3.102 -7.364 1.00 . A A . 16 PHE HD2 1 1 12 3591 1 1 16 PHE HE1 H 4.024 4.485 -7.742 1.00 . A A . 16 PHE HE1 1 1 12 3592 1 1 16 PHE HE2 H 0.822 1.938 -8.933 1.00 . A A . 16 PHE HE2 1 1 12 3593 1 1 16 PHE HZ H 3.176 2.629 -9.122 1.00 . A A . 16 PHE HZ 1 1 12 3594 1 1 16 PHE N N -0.283 3.444 -3.907 1.00 . A A . 16 PHE N 1 1 12 3595 1 1 16 PHE O O -1.854 5.213 -2.910 1.00 . A A . 16 PHE O 1 1 12 3596 1 1 17 VAL C C -2.444 8.437 -3.453 1.00 . A A . 17 VAL C 1 1 12 3597 1 1 17 VAL CA C -1.316 7.930 -2.546 1.00 . A A . 17 VAL CA 1 1 12 3598 1 1 17 VAL CB C -0.461 9.108 -1.967 1.00 . A A . 17 VAL CB 1 1 12 3599 1 1 17 VAL CG1 C -1.272 10.009 -1.039 1.00 . A A . 17 VAL CG1 1 1 12 3600 1 1 17 VAL CG2 C 0.771 8.575 -1.242 1.00 . A A . 17 VAL CG2 1 1 12 3601 1 1 17 VAL H H 0.337 7.293 -3.725 1.00 . A A . 17 VAL H 1 1 12 3602 1 1 17 VAL HA H -1.776 7.367 -1.759 1.00 . A A . 17 VAL HA 1 1 12 3603 1 1 17 VAL HB H -0.123 9.709 -2.800 1.00 . A A . 17 VAL HB 1 1 12 3604 1 1 17 VAL HG11 H -0.645 10.807 -0.670 1.00 . A A . 17 VAL HG11 1 1 12 3605 1 1 17 VAL HG12 H -1.643 9.428 -0.208 1.00 . A A . 17 VAL HG12 1 1 12 3606 1 1 17 VAL HG13 H -2.106 10.427 -1.584 1.00 . A A . 17 VAL HG13 1 1 12 3607 1 1 17 VAL HG21 H 1.375 8.002 -1.929 1.00 . A A . 17 VAL HG21 1 1 12 3608 1 1 17 VAL HG22 H 0.459 7.943 -0.423 1.00 . A A . 17 VAL HG22 1 1 12 3609 1 1 17 VAL HG23 H 1.349 9.402 -0.857 1.00 . A A . 17 VAL HG23 1 1 12 3610 1 1 17 VAL N N -0.485 6.969 -3.301 1.00 . A A . 17 VAL N 1 1 12 3611 1 1 17 VAL O O -3.360 9.137 -3.054 1.00 . A A . 17 VAL O 1 1 12 3612 1 1 18 ARG C C -3.193 7.116 -6.654 1.00 . A A . 18 ARG C 1 1 12 3613 1 1 18 ARG CA C -3.283 8.285 -5.688 1.00 . A A . 18 ARG CA 1 1 12 3614 1 1 18 ARG CB C -2.930 9.610 -6.396 1.00 . A A . 18 ARG CB 1 1 12 3615 1 1 18 ARG CD C -3.264 10.328 -8.785 1.00 . A A . 18 ARG CD 1 1 12 3616 1 1 18 ARG CG C -3.946 10.045 -7.454 1.00 . A A . 18 ARG CG 1 1 12 3617 1 1 18 ARG CZ C -2.005 8.950 -10.447 1.00 . A A . 18 ARG CZ 1 1 12 3618 1 1 18 ARG H H -1.602 7.400 -4.789 1.00 . A A . 18 ARG H 1 1 12 3619 1 1 18 ARG HA H -4.277 8.334 -5.266 1.00 . A A . 18 ARG HA 1 1 12 3620 1 1 18 ARG HB2 H -2.857 10.391 -5.653 1.00 . A A . 18 ARG HB2 1 1 12 3621 1 1 18 ARG HB3 H -1.969 9.497 -6.876 1.00 . A A . 18 ARG HB3 1 1 12 3622 1 1 18 ARG HD2 H -4.009 10.624 -9.509 1.00 . A A . 18 ARG HD2 1 1 12 3623 1 1 18 ARG HD3 H -2.546 11.125 -8.654 1.00 . A A . 18 ARG HD3 1 1 12 3624 1 1 18 ARG HE H -2.535 8.394 -8.599 1.00 . A A . 18 ARG HE 1 1 12 3625 1 1 18 ARG HG2 H -4.666 9.253 -7.593 1.00 . A A . 18 ARG HG2 1 1 12 3626 1 1 18 ARG HG3 H -4.451 10.938 -7.118 1.00 . A A . 18 ARG HG3 1 1 12 3627 1 1 18 ARG HH11 H -2.458 10.796 -11.175 1.00 . A A . 18 ARG HH11 1 1 12 3628 1 1 18 ARG HH12 H -1.603 9.809 -12.275 1.00 . A A . 18 ARG HH12 1 1 12 3629 1 1 18 ARG HH21 H -1.435 7.080 -9.975 1.00 . A A . 18 ARG HH21 1 1 12 3630 1 1 18 ARG HH22 H -0.972 7.536 -11.557 1.00 . A A . 18 ARG HH22 1 1 12 3631 1 1 18 ARG N N -2.355 8.002 -4.641 1.00 . A A . 18 ARG N 1 1 12 3632 1 1 18 ARG NE N -2.567 9.134 -9.267 1.00 . A A . 18 ARG NE 1 1 12 3633 1 1 18 ARG NH1 N -2.019 9.919 -11.372 1.00 . A A . 18 ARG NH1 1 1 12 3634 1 1 18 ARG NH2 N -1.423 7.780 -10.698 1.00 . A A . 18 ARG NH2 1 1 12 3635 1 1 18 ARG O O -2.366 7.165 -7.582 1.00 . A A . 18 ARG O 1 1 12 3636 1 1 18 ARG OXT O -3.867 6.113 -6.418 1.00 . A A . 18 ARG OXT 1 1 13 3637 1 1 1 LEU C C 11.251 -8.501 -6.286 1.00 . A A . 1 LEU C 1 1 13 3638 1 1 1 LEU CA C 12.402 -9.157 -5.575 1.00 . A A . 1 LEU CA 1 1 13 3639 1 1 1 LEU CB C 12.341 -8.855 -4.066 1.00 . A A . 1 LEU CB 1 1 13 3640 1 1 1 LEU CD1 C 13.299 -9.025 -1.753 1.00 . A A . 1 LEU CD1 1 1 13 3641 1 1 1 LEU CD2 C 13.481 -10.973 -3.307 1.00 . A A . 1 LEU CD2 1 1 13 3642 1 1 1 LEU CG C 13.463 -9.450 -3.203 1.00 . A A . 1 LEU CG 1 1 13 3643 1 1 1 LEU H1 H 14.492 -9.081 -5.774 1.00 . A A . 1 LEU H1 1 1 13 3644 1 1 1 LEU HA H 12.364 -10.223 -5.747 1.00 . A A . 1 LEU HA 1 1 13 3645 1 1 1 LEU HB2 H 12.356 -7.783 -3.942 1.00 . A A . 1 LEU HB2 1 1 13 3646 1 1 1 LEU HB3 H 11.397 -9.224 -3.692 1.00 . A A . 1 LEU HB3 1 1 13 3647 1 1 1 LEU HD11 H 12.347 -9.372 -1.380 1.00 . A A . 1 LEU HD11 1 1 13 3648 1 1 1 LEU HD12 H 13.341 -7.948 -1.687 1.00 . A A . 1 LEU HD12 1 1 13 3649 1 1 1 LEU HD13 H 14.095 -9.452 -1.161 1.00 . A A . 1 LEU HD13 1 1 13 3650 1 1 1 LEU HD21 H 13.665 -11.266 -4.331 1.00 . A A . 1 LEU HD21 1 1 13 3651 1 1 1 LEU HD22 H 12.530 -11.369 -2.983 1.00 . A A . 1 LEU HD22 1 1 13 3652 1 1 1 LEU HD23 H 14.265 -11.365 -2.677 1.00 . A A . 1 LEU HD23 1 1 13 3653 1 1 1 LEU HG H 14.412 -9.073 -3.553 1.00 . A A . 1 LEU HG 1 1 13 3654 1 1 1 LEU N N 13.641 -8.626 -6.154 1.00 . A A . 1 LEU N 1 1 13 3655 1 1 1 LEU O O 11.488 -7.734 -7.215 1.00 . A A . 1 LEU O 1 1 13 3656 1 1 2 VAL C C 8.661 -6.799 -5.884 1.00 . A A . 2 VAL C 1 1 13 3657 1 1 2 VAL CA C 8.865 -8.202 -6.480 1.00 . A A . 2 VAL CA 1 1 13 3658 1 1 2 VAL CB C 7.602 -9.112 -6.262 1.00 . A A . 2 VAL CB 1 1 13 3659 1 1 2 VAL CG1 C 7.245 -9.260 -4.785 1.00 . A A . 2 VAL CG1 1 1 13 3660 1 1 2 VAL CG2 C 6.403 -8.629 -7.073 1.00 . A A . 2 VAL CG2 1 1 13 3661 1 1 2 VAL H H 9.894 -9.401 -5.119 1.00 . A A . 2 VAL H 1 1 13 3662 1 1 2 VAL HA H 9.058 -8.101 -7.539 1.00 . A A . 2 VAL HA 1 1 13 3663 1 1 2 VAL HB H 7.870 -10.098 -6.613 1.00 . A A . 2 VAL HB 1 1 13 3664 1 1 2 VAL HG11 H 6.371 -9.887 -4.687 1.00 . A A . 2 VAL HG11 1 1 13 3665 1 1 2 VAL HG12 H 7.040 -8.287 -4.365 1.00 . A A . 2 VAL HG12 1 1 13 3666 1 1 2 VAL HG13 H 8.073 -9.711 -4.257 1.00 . A A . 2 VAL HG13 1 1 13 3667 1 1 2 VAL HG21 H 5.566 -9.289 -6.904 1.00 . A A . 2 VAL HG21 1 1 13 3668 1 1 2 VAL HG22 H 6.653 -8.627 -8.124 1.00 . A A . 2 VAL HG22 1 1 13 3669 1 1 2 VAL HG23 H 6.139 -7.629 -6.763 1.00 . A A . 2 VAL HG23 1 1 13 3670 1 1 2 VAL N N 10.038 -8.794 -5.875 1.00 . A A . 2 VAL N 1 1 13 3671 1 1 2 VAL O O 9.040 -6.558 -4.745 1.00 . A A . 2 VAL O 1 1 13 3672 1 1 3 ARG C C 6.534 -4.037 -6.634 1.00 . A A . 3 ARG C 1 1 13 3673 1 1 3 ARG CA C 7.914 -4.516 -6.204 1.00 . A A . 3 ARG CA 1 1 13 3674 1 1 3 ARG CB C 9.012 -3.568 -6.734 1.00 . A A . 3 ARG CB 1 1 13 3675 1 1 3 ARG CD C 10.177 -2.480 -8.669 1.00 . A A . 3 ARG CD 1 1 13 3676 1 1 3 ARG CG C 9.112 -3.482 -8.252 1.00 . A A . 3 ARG CG 1 1 13 3677 1 1 3 ARG CZ C 10.982 -1.400 -10.784 1.00 . A A . 3 ARG CZ 1 1 13 3678 1 1 3 ARG H H 7.891 -6.116 -7.588 1.00 . A A . 3 ARG H 1 1 13 3679 1 1 3 ARG HA H 7.951 -4.531 -5.125 1.00 . A A . 3 ARG HA 1 1 13 3680 1 1 3 ARG HB2 H 8.818 -2.576 -6.357 1.00 . A A . 3 ARG HB2 1 1 13 3681 1 1 3 ARG HB3 H 9.964 -3.903 -6.350 1.00 . A A . 3 ARG HB3 1 1 13 3682 1 1 3 ARG HD2 H 9.920 -1.511 -8.266 1.00 . A A . 3 ARG HD2 1 1 13 3683 1 1 3 ARG HD3 H 11.128 -2.795 -8.266 1.00 . A A . 3 ARG HD3 1 1 13 3684 1 1 3 ARG HE H 9.828 -3.074 -10.630 1.00 . A A . 3 ARG HE 1 1 13 3685 1 1 3 ARG HG2 H 9.369 -4.454 -8.645 1.00 . A A . 3 ARG HG2 1 1 13 3686 1 1 3 ARG HG3 H 8.157 -3.171 -8.650 1.00 . A A . 3 ARG HG3 1 1 13 3687 1 1 3 ARG HH11 H 11.572 -0.420 -9.088 1.00 . A A . 3 ARG HH11 1 1 13 3688 1 1 3 ARG HH12 H 12.127 0.302 -10.523 1.00 . A A . 3 ARG HH12 1 1 13 3689 1 1 3 ARG HH21 H 10.579 -2.103 -12.673 1.00 . A A . 3 ARG HH21 1 1 13 3690 1 1 3 ARG HH22 H 11.533 -0.701 -12.645 1.00 . A A . 3 ARG HH22 1 1 13 3691 1 1 3 ARG N N 8.137 -5.881 -6.670 1.00 . A A . 3 ARG N 1 1 13 3692 1 1 3 ARG NE N 10.298 -2.365 -10.138 1.00 . A A . 3 ARG NE 1 1 13 3693 1 1 3 ARG NH1 N 11.605 -0.437 -10.090 1.00 . A A . 3 ARG NH1 1 1 13 3694 1 1 3 ARG NH2 N 11.036 -1.399 -12.124 1.00 . A A . 3 ARG NH2 1 1 13 3695 1 1 3 ARG O O 6.269 -2.844 -6.729 1.00 . A A . 3 ARG O 1 1 13 3696 1 1 4 GLY C C 3.415 -4.541 -6.087 1.00 . A A . 4 GLY C 1 1 13 3697 1 1 4 GLY CA C 4.323 -4.663 -7.277 1.00 . A A . 4 GLY CA 1 1 13 3698 1 1 4 GLY H H 5.898 -5.912 -6.683 1.00 . A A . 4 GLY H 1 1 13 3699 1 1 4 GLY HA2 H 4.334 -3.728 -7.818 1.00 . A A . 4 GLY HA2 1 1 13 3700 1 1 4 GLY HA3 H 3.953 -5.447 -7.921 1.00 . A A . 4 GLY HA3 1 1 13 3701 1 1 4 GLY N N 5.656 -4.981 -6.859 1.00 . A A . 4 GLY N 1 1 13 3702 1 1 4 GLY O O 3.056 -5.542 -5.469 1.00 . A A . 4 GLY O 1 1 13 3703 1 1 5 CYS C C 0.859 -2.708 -5.038 1.00 . A A . 5 CYS C 1 1 13 3704 1 1 5 CYS CA C 2.210 -3.119 -4.611 1.00 . A A . 5 CYS CA 1 1 13 3705 1 1 5 CYS CB C 2.813 -2.059 -3.723 1.00 . A A . 5 CYS CB 1 1 13 3706 1 1 5 CYS H H 3.316 -2.572 -6.301 1.00 . A A . 5 CYS H 1 1 13 3707 1 1 5 CYS HA H 2.067 -4.021 -4.037 1.00 . A A . 5 CYS HA 1 1 13 3708 1 1 5 CYS HB2 H 3.786 -2.361 -3.387 1.00 . A A . 5 CYS HB2 1 1 13 3709 1 1 5 CYS HB3 H 2.913 -1.151 -4.298 1.00 . A A . 5 CYS HB3 1 1 13 3710 1 1 5 CYS N N 3.039 -3.342 -5.762 1.00 . A A . 5 CYS N 1 1 13 3711 1 1 5 CYS O O 0.664 -1.674 -5.683 1.00 . A A . 5 CYS O 1 1 13 3712 1 1 5 CYS SG S 1.827 -1.663 -2.264 1.00 . A A . 5 CYS SG 1 1 13 3713 1 1 6 TRP C C -2.296 -3.968 -3.946 1.00 . A A . 6 TRP C 1 1 13 3714 1 1 6 TRP CA C -1.418 -3.337 -5.017 1.00 . A A . 6 TRP CA 1 1 13 3715 1 1 6 TRP CB C -1.596 -3.781 -6.489 1.00 . A A . 6 TRP CB 1 1 13 3716 1 1 6 TRP CD1 C -2.487 -6.122 -6.847 1.00 . A A . 6 TRP CD1 1 1 13 3717 1 1 6 TRP CD2 C -3.907 -4.490 -7.353 1.00 . A A . 6 TRP CD2 1 1 13 3718 1 1 6 TRP CE2 C -4.533 -5.705 -7.643 1.00 . A A . 6 TRP CE2 1 1 13 3719 1 1 6 TRP CE3 C -4.582 -3.310 -7.581 1.00 . A A . 6 TRP CE3 1 1 13 3720 1 1 6 TRP CG C -2.625 -4.777 -6.846 1.00 . A A . 6 TRP CG 1 1 13 3721 1 1 6 TRP CH2 C -6.466 -4.570 -8.382 1.00 . A A . 6 TRP CH2 1 1 13 3722 1 1 6 TRP CZ2 C -5.824 -5.765 -8.166 1.00 . A A . 6 TRP CZ2 1 1 13 3723 1 1 6 TRP CZ3 C -5.845 -3.347 -8.088 1.00 . A A . 6 TRP CZ3 1 1 13 3724 1 1 6 TRP H H 0.164 -4.301 -4.128 1.00 . A A . 6 TRP H 1 1 13 3725 1 1 6 TRP HA H -1.601 -2.279 -4.935 1.00 . A A . 6 TRP HA 1 1 13 3726 1 1 6 TRP HB2 H -1.807 -2.906 -7.087 1.00 . A A . 6 TRP HB2 1 1 13 3727 1 1 6 TRP HB3 H -0.640 -4.162 -6.819 1.00 . A A . 6 TRP HB3 1 1 13 3728 1 1 6 TRP HD1 H -1.581 -6.604 -6.501 1.00 . A A . 6 TRP HD1 1 1 13 3729 1 1 6 TRP HE1 H -3.833 -7.661 -7.442 1.00 . A A . 6 TRP HE1 1 1 13 3730 1 1 6 TRP HE3 H -4.117 -2.362 -7.354 1.00 . A A . 6 TRP HE3 1 1 13 3731 1 1 6 TRP HH2 H -7.469 -4.558 -8.784 1.00 . A A . 6 TRP HH2 1 1 13 3732 1 1 6 TRP HZ2 H -6.308 -6.702 -8.394 1.00 . A A . 6 TRP HZ2 1 1 13 3733 1 1 6 TRP HZ3 H -6.349 -2.400 -8.236 1.00 . A A . 6 TRP HZ3 1 1 13 3734 1 1 6 TRP N N -0.074 -3.523 -4.674 1.00 . A A . 6 TRP N 1 1 13 3735 1 1 6 TRP NE1 N -3.645 -6.707 -7.321 1.00 . A A . 6 TRP NE1 1 1 13 3736 1 1 6 TRP O O -2.247 -5.199 -3.703 1.00 . A A . 6 TRP O 1 1 13 3737 1 1 7 THR C C -4.985 -4.279 -2.416 1.00 . A A . 7 THR C 1 1 13 3738 1 1 7 THR CA C -3.789 -3.410 -2.090 1.00 . A A . 7 THR CA 1 1 13 3739 1 1 7 THR CB C -4.270 -2.105 -1.391 1.00 . A A . 7 THR CB 1 1 13 3740 1 1 7 THR CG2 C -3.090 -1.218 -1.009 1.00 . A A . 7 THR CG2 1 1 13 3741 1 1 7 THR H H -3.087 -2.183 -3.610 1.00 . A A . 7 THR H 1 1 13 3742 1 1 7 THR HA H -3.148 -3.937 -1.400 1.00 . A A . 7 THR HA 1 1 13 3743 1 1 7 THR HB H -4.819 -2.366 -0.497 1.00 . A A . 7 THR HB 1 1 13 3744 1 1 7 THR HG1 H -4.578 -0.853 -2.879 1.00 . A A . 7 THR HG1 1 1 13 3745 1 1 7 THR HG21 H -3.455 -0.323 -0.528 1.00 . A A . 7 THR HG21 1 1 13 3746 1 1 7 THR HG22 H -2.553 -0.940 -1.905 1.00 . A A . 7 THR HG22 1 1 13 3747 1 1 7 THR HG23 H -2.428 -1.748 -0.341 1.00 . A A . 7 THR HG23 1 1 13 3748 1 1 7 THR N N -3.018 -3.104 -3.270 1.00 . A A . 7 THR N 1 1 13 3749 1 1 7 THR O O -5.564 -4.189 -3.515 1.00 . A A . 7 THR O 1 1 13 3750 1 1 7 THR OG1 O -5.119 -1.374 -2.271 1.00 . A A . 7 THR OG1 1 1 13 3751 1 1 8 LYS C C -7.634 -5.390 -0.971 1.00 . A A . 8 LYS C 1 1 13 3752 1 1 8 LYS CA C -6.446 -6.028 -1.652 1.00 . A A . 8 LYS CA 1 1 13 3753 1 1 8 LYS CB C -6.151 -7.411 -1.020 1.00 . A A . 8 LYS CB 1 1 13 3754 1 1 8 LYS CD C -4.261 -7.883 -2.673 1.00 . A A . 8 LYS CD 1 1 13 3755 1 1 8 LYS CE C -2.805 -8.300 -2.795 1.00 . A A . 8 LYS CE 1 1 13 3756 1 1 8 LYS CG C -4.717 -7.930 -1.221 1.00 . A A . 8 LYS CG 1 1 13 3757 1 1 8 LYS H H -4.880 -5.130 -0.613 1.00 . A A . 8 LYS H 1 1 13 3758 1 1 8 LYS HA H -6.644 -6.138 -2.709 1.00 . A A . 8 LYS HA 1 1 13 3759 1 1 8 LYS HB2 H -6.335 -7.347 0.042 1.00 . A A . 8 LYS HB2 1 1 13 3760 1 1 8 LYS HB3 H -6.834 -8.133 -1.444 1.00 . A A . 8 LYS HB3 1 1 13 3761 1 1 8 LYS HD2 H -4.872 -8.554 -3.260 1.00 . A A . 8 LYS HD2 1 1 13 3762 1 1 8 LYS HD3 H -4.370 -6.874 -3.043 1.00 . A A . 8 LYS HD3 1 1 13 3763 1 1 8 LYS HE2 H -2.231 -7.795 -2.032 1.00 . A A . 8 LYS HE2 1 1 13 3764 1 1 8 LYS HE3 H -2.733 -9.368 -2.649 1.00 . A A . 8 LYS HE3 1 1 13 3765 1 1 8 LYS HG2 H -4.046 -7.320 -0.635 1.00 . A A . 8 LYS HG2 1 1 13 3766 1 1 8 LYS HG3 H -4.667 -8.950 -0.867 1.00 . A A . 8 LYS HG3 1 1 13 3767 1 1 8 LYS HZ1 H -2.272 -6.915 -4.220 1.00 . A A . 8 LYS HZ1 1 1 13 3768 1 1 8 LYS HZ2 H -2.792 -8.383 -4.891 1.00 . A A . 8 LYS HZ2 1 1 13 3769 1 1 8 LYS HZ3 H -1.252 -8.261 -4.188 1.00 . A A . 8 LYS HZ3 1 1 13 3770 1 1 8 LYS N N -5.340 -5.131 -1.476 1.00 . A A . 8 LYS N 1 1 13 3771 1 1 8 LYS NZ N -2.243 -7.955 -4.121 1.00 . A A . 8 LYS NZ 1 1 13 3772 1 1 8 LYS O O -7.645 -5.231 0.247 1.00 . A A . 8 LYS O 1 1 13 3773 1 1 9 SER C C -10.818 -4.463 -2.290 1.00 . A A . 9 SER C 1 1 13 3774 1 1 9 SER CA C -9.740 -4.280 -1.248 1.00 . A A . 9 SER CA 1 1 13 3775 1 1 9 SER CB C -9.447 -2.771 -1.091 1.00 . A A . 9 SER CB 1 1 13 3776 1 1 9 SER H H -8.523 -5.078 -2.714 1.00 . A A . 9 SER H 1 1 13 3777 1 1 9 SER HA H -10.037 -4.699 -0.298 1.00 . A A . 9 SER HA 1 1 13 3778 1 1 9 SER HB2 H -9.302 -2.331 -2.066 1.00 . A A . 9 SER HB2 1 1 13 3779 1 1 9 SER HB3 H -10.293 -2.298 -0.613 1.00 . A A . 9 SER HB3 1 1 13 3780 1 1 9 SER HG H -8.052 -3.369 0.111 1.00 . A A . 9 SER HG 1 1 13 3781 1 1 9 SER N N -8.568 -4.947 -1.743 1.00 . A A . 9 SER N 1 1 13 3782 1 1 9 SER O O -10.643 -5.253 -3.214 1.00 . A A . 9 SER O 1 1 13 3783 1 1 9 SER OG O -8.284 -2.528 -0.309 1.00 . A A . 9 SER OG 1 1 13 3784 1 1 10 TYR C C -13.489 -2.326 -3.211 1.00 . A A . 10 TYR C 1 1 13 3785 1 1 10 TYR CA C -12.919 -3.743 -3.159 1.00 . A A . 10 TYR CA 1 1 13 3786 1 1 10 TYR CB C -14.019 -4.779 -2.867 1.00 . A A . 10 TYR CB 1 1 13 3787 1 1 10 TYR CD1 C -14.834 -5.534 -5.135 1.00 . A A . 10 TYR CD1 1 1 13 3788 1 1 10 TYR CD2 C -16.332 -4.278 -3.771 1.00 . A A . 10 TYR CD2 1 1 13 3789 1 1 10 TYR CE1 C -15.796 -5.615 -6.123 1.00 . A A . 10 TYR CE1 1 1 13 3790 1 1 10 TYR CE2 C -17.299 -4.354 -4.754 1.00 . A A . 10 TYR CE2 1 1 13 3791 1 1 10 TYR CG C -15.084 -4.867 -3.944 1.00 . A A . 10 TYR CG 1 1 13 3792 1 1 10 TYR CZ C -17.026 -5.023 -5.928 1.00 . A A . 10 TYR CZ 1 1 13 3793 1 1 10 TYR H H -12.067 -3.218 -1.353 1.00 . A A . 10 TYR H 1 1 13 3794 1 1 10 TYR HA H -12.428 -3.973 -4.099 1.00 . A A . 10 TYR HA 1 1 13 3795 1 1 10 TYR HB2 H -13.566 -5.756 -2.771 1.00 . A A . 10 TYR HB2 1 1 13 3796 1 1 10 TYR HB3 H -14.503 -4.522 -1.937 1.00 . A A . 10 TYR HB3 1 1 13 3797 1 1 10 TYR HD1 H -13.870 -5.998 -5.285 1.00 . A A . 10 TYR HD1 1 1 13 3798 1 1 10 TYR HD2 H -16.543 -3.755 -2.849 1.00 . A A . 10 TYR HD2 1 1 13 3799 1 1 10 TYR HE1 H -15.582 -6.139 -7.043 1.00 . A A . 10 TYR HE1 1 1 13 3800 1 1 10 TYR HE2 H -18.262 -3.890 -4.603 1.00 . A A . 10 TYR HE2 1 1 13 3801 1 1 10 TYR HH H -18.406 -4.244 -7.018 1.00 . A A . 10 TYR HH 1 1 13 3802 1 1 10 TYR N N -11.904 -3.761 -2.152 1.00 . A A . 10 TYR N 1 1 13 3803 1 1 10 TYR O O -14.192 -1.914 -2.302 1.00 . A A . 10 TYR O 1 1 13 3804 1 1 10 TYR OH O -17.984 -5.099 -6.912 1.00 . A A . 10 TYR OH 1 1 13 3805 1 1 11 PRO C C -10.713 -1.978 -4.779 1.00 . A A . 11 PRO C 1 1 13 3806 1 1 11 PRO CA C -12.181 -1.955 -5.258 1.00 . A A . 11 PRO CA 1 1 13 3807 1 1 11 PRO CB C -12.347 -0.913 -6.362 1.00 . A A . 11 PRO CB 1 1 13 3808 1 1 11 PRO CD C -13.587 -0.176 -4.455 1.00 . A A . 11 PRO CD 1 1 13 3809 1 1 11 PRO CG C -13.504 -0.061 -5.948 1.00 . A A . 11 PRO CG 1 1 13 3810 1 1 11 PRO HA H -12.482 -2.917 -5.642 1.00 . A A . 11 PRO HA 1 1 13 3811 1 1 11 PRO HB2 H -11.424 -0.360 -6.462 1.00 . A A . 11 PRO HB2 1 1 13 3812 1 1 11 PRO HB3 H -12.575 -1.455 -7.267 1.00 . A A . 11 PRO HB3 1 1 13 3813 1 1 11 PRO HD2 H -12.940 0.545 -3.979 1.00 . A A . 11 PRO HD2 1 1 13 3814 1 1 11 PRO HD3 H -14.606 -0.060 -4.116 1.00 . A A . 11 PRO HD3 1 1 13 3815 1 1 11 PRO HG2 H -13.328 0.963 -6.245 1.00 . A A . 11 PRO HG2 1 1 13 3816 1 1 11 PRO HG3 H -14.417 -0.433 -6.389 1.00 . A A . 11 PRO HG3 1 1 13 3817 1 1 11 PRO N N -13.114 -1.536 -4.225 1.00 . A A . 11 PRO N 1 1 13 3818 1 1 11 PRO O O -10.315 -1.190 -3.893 1.00 . A A . 11 PRO O 1 1 13 3819 1 1 12 PRO C C -7.717 -1.920 -5.738 1.00 . A A . 12 PRO C 1 1 13 3820 1 1 12 PRO CA C -8.500 -3.026 -5.013 1.00 . A A . 12 PRO CA 1 1 13 3821 1 1 12 PRO CB C -8.108 -4.422 -5.514 1.00 . A A . 12 PRO CB 1 1 13 3822 1 1 12 PRO CD C -10.374 -3.948 -6.241 1.00 . A A . 12 PRO CD 1 1 13 3823 1 1 12 PRO CG C -9.326 -5.021 -6.153 1.00 . A A . 12 PRO CG 1 1 13 3824 1 1 12 PRO HA H -8.321 -2.935 -3.951 1.00 . A A . 12 PRO HA 1 1 13 3825 1 1 12 PRO HB2 H -7.300 -4.328 -6.227 1.00 . A A . 12 PRO HB2 1 1 13 3826 1 1 12 PRO HB3 H -7.799 -5.040 -4.684 1.00 . A A . 12 PRO HB3 1 1 13 3827 1 1 12 PRO HD2 H -10.476 -3.537 -7.230 1.00 . A A . 12 PRO HD2 1 1 13 3828 1 1 12 PRO HD3 H -11.342 -4.319 -5.947 1.00 . A A . 12 PRO HD3 1 1 13 3829 1 1 12 PRO HG2 H -9.076 -5.383 -7.139 1.00 . A A . 12 PRO HG2 1 1 13 3830 1 1 12 PRO HG3 H -9.695 -5.832 -5.543 1.00 . A A . 12 PRO HG3 1 1 13 3831 1 1 12 PRO N N -9.926 -2.920 -5.307 1.00 . A A . 12 PRO N 1 1 13 3832 1 1 12 PRO O O -8.189 -1.382 -6.748 1.00 . A A . 12 PRO O 1 1 13 3833 1 1 13 LYS C C -4.295 -0.499 -5.585 1.00 . A A . 13 LYS C 1 1 13 3834 1 1 13 LYS CA C -5.839 -0.395 -5.739 1.00 . A A . 13 LYS CA 1 1 13 3835 1 1 13 LYS CB C -6.417 0.773 -4.937 1.00 . A A . 13 LYS CB 1 1 13 3836 1 1 13 LYS CD C -5.558 2.785 -6.241 1.00 . A A . 13 LYS CD 1 1 13 3837 1 1 13 LYS CE C -5.009 4.199 -6.052 1.00 . A A . 13 LYS CE 1 1 13 3838 1 1 13 LYS CG C -5.674 2.098 -4.905 1.00 . A A . 13 LYS CG 1 1 13 3839 1 1 13 LYS H H -6.141 -2.124 -4.524 1.00 . A A . 13 LYS H 1 1 13 3840 1 1 13 LYS HA H -6.109 -0.250 -6.773 1.00 . A A . 13 LYS HA 1 1 13 3841 1 1 13 LYS HB2 H -7.415 0.969 -5.300 1.00 . A A . 13 LYS HB2 1 1 13 3842 1 1 13 LYS HB3 H -6.495 0.377 -3.938 1.00 . A A . 13 LYS HB3 1 1 13 3843 1 1 13 LYS HD2 H -4.886 2.213 -6.864 1.00 . A A . 13 LYS HD2 1 1 13 3844 1 1 13 LYS HD3 H -6.533 2.840 -6.702 1.00 . A A . 13 LYS HD3 1 1 13 3845 1 1 13 LYS HE2 H -4.788 4.620 -7.021 1.00 . A A . 13 LYS HE2 1 1 13 3846 1 1 13 LYS HE3 H -5.761 4.801 -5.564 1.00 . A A . 13 LYS HE3 1 1 13 3847 1 1 13 LYS HG2 H -6.182 2.767 -4.228 1.00 . A A . 13 LYS HG2 1 1 13 3848 1 1 13 LYS HG3 H -4.681 1.912 -4.520 1.00 . A A . 13 LYS HG3 1 1 13 3849 1 1 13 LYS HZ1 H -3.032 3.601 -5.641 1.00 . A A . 13 LYS HZ1 1 1 13 3850 1 1 13 LYS HZ2 H -3.954 3.821 -4.279 1.00 . A A . 13 LYS HZ2 1 1 13 3851 1 1 13 LYS HZ3 H -3.396 5.166 -5.057 1.00 . A A . 13 LYS HZ3 1 1 13 3852 1 1 13 LYS N N -6.547 -1.575 -5.233 1.00 . A A . 13 LYS N 1 1 13 3853 1 1 13 LYS NZ N -3.773 4.213 -5.235 1.00 . A A . 13 LYS NZ 1 1 13 3854 1 1 13 LYS O O -3.818 -0.873 -4.522 1.00 . A A . 13 LYS O 1 1 13 3855 1 1 14 PRO C C -1.667 0.917 -5.440 1.00 . A A . 14 PRO C 1 1 13 3856 1 1 14 PRO CA C -2.010 -0.108 -6.524 1.00 . A A . 14 PRO CA 1 1 13 3857 1 1 14 PRO CB C -1.558 0.387 -7.912 1.00 . A A . 14 PRO CB 1 1 13 3858 1 1 14 PRO CD C -3.924 0.090 -8.034 1.00 . A A . 14 PRO CD 1 1 13 3859 1 1 14 PRO CG C -2.793 0.913 -8.570 1.00 . A A . 14 PRO CG 1 1 13 3860 1 1 14 PRO HA H -1.567 -1.059 -6.282 1.00 . A A . 14 PRO HA 1 1 13 3861 1 1 14 PRO HB2 H -0.804 1.148 -7.788 1.00 . A A . 14 PRO HB2 1 1 13 3862 1 1 14 PRO HB3 H -1.165 -0.436 -8.489 1.00 . A A . 14 PRO HB3 1 1 13 3863 1 1 14 PRO HD2 H -4.848 0.648 -8.073 1.00 . A A . 14 PRO HD2 1 1 13 3864 1 1 14 PRO HD3 H -4.017 -0.822 -8.605 1.00 . A A . 14 PRO HD3 1 1 13 3865 1 1 14 PRO HG2 H -2.924 1.956 -8.315 1.00 . A A . 14 PRO HG2 1 1 13 3866 1 1 14 PRO HG3 H -2.731 0.788 -9.641 1.00 . A A . 14 PRO HG3 1 1 13 3867 1 1 14 PRO N N -3.488 -0.187 -6.651 1.00 . A A . 14 PRO N 1 1 13 3868 1 1 14 PRO O O -2.249 2.017 -5.454 1.00 . A A . 14 PRO O 1 1 13 3869 1 1 15 CYS C C -0.006 2.800 -3.625 1.00 . A A . 15 CYS C 1 1 13 3870 1 1 15 CYS CA C -0.603 1.458 -3.333 1.00 . A A . 15 CYS CA 1 1 13 3871 1 1 15 CYS CB C 0.056 0.781 -2.151 1.00 . A A . 15 CYS CB 1 1 13 3872 1 1 15 CYS H H -0.133 -0.165 -4.615 1.00 . A A . 15 CYS H 1 1 13 3873 1 1 15 CYS HA H -1.627 1.666 -3.056 1.00 . A A . 15 CYS HA 1 1 13 3874 1 1 15 CYS HB2 H -0.048 1.393 -1.267 1.00 . A A . 15 CYS HB2 1 1 13 3875 1 1 15 CYS HB3 H -0.517 -0.121 -2.045 1.00 . A A . 15 CYS HB3 1 1 13 3876 1 1 15 CYS N N -0.749 0.600 -4.508 1.00 . A A . 15 CYS N 1 1 13 3877 1 1 15 CYS O O 1.179 2.961 -3.869 1.00 . A A . 15 CYS O 1 1 13 3878 1 1 15 CYS SG S 1.804 0.344 -2.347 1.00 . A A . 15 CYS SG 1 1 13 3879 1 1 16 PHE C C -1.544 5.983 -3.124 1.00 . A A . 16 PHE C 1 1 13 3880 1 1 16 PHE CA C -0.556 5.143 -3.875 1.00 . A A . 16 PHE CA 1 1 13 3881 1 1 16 PHE CB C -0.598 5.521 -5.385 1.00 . A A . 16 PHE CB 1 1 13 3882 1 1 16 PHE CD1 C 1.759 5.325 -6.235 1.00 . A A . 16 PHE CD1 1 1 13 3883 1 1 16 PHE CD2 C 0.124 3.811 -7.084 1.00 . A A . 16 PHE CD2 1 1 13 3884 1 1 16 PHE CE1 C 2.722 4.737 -7.030 1.00 . A A . 16 PHE CE1 1 1 13 3885 1 1 16 PHE CE2 C 1.084 3.218 -7.881 1.00 . A A . 16 PHE CE2 1 1 13 3886 1 1 16 PHE CG C 0.450 4.869 -6.251 1.00 . A A . 16 PHE CG 1 1 13 3887 1 1 16 PHE CZ C 2.385 3.682 -7.854 1.00 . A A . 16 PHE CZ 1 1 13 3888 1 1 16 PHE H H -1.770 3.412 -3.373 1.00 . A A . 16 PHE H 1 1 13 3889 1 1 16 PHE HA H 0.431 5.333 -3.480 1.00 . A A . 16 PHE HA 1 1 13 3890 1 1 16 PHE HB2 H -1.561 5.243 -5.785 1.00 . A A . 16 PHE HB2 1 1 13 3891 1 1 16 PHE HB3 H -0.487 6.593 -5.473 1.00 . A A . 16 PHE HB3 1 1 13 3892 1 1 16 PHE HD1 H 2.024 6.149 -5.589 1.00 . A A . 16 PHE HD1 1 1 13 3893 1 1 16 PHE HD2 H -0.892 3.448 -7.107 1.00 . A A . 16 PHE HD2 1 1 13 3894 1 1 16 PHE HE1 H 3.738 5.103 -7.008 1.00 . A A . 16 PHE HE1 1 1 13 3895 1 1 16 PHE HE2 H 0.821 2.393 -8.527 1.00 . A A . 16 PHE HE2 1 1 13 3896 1 1 16 PHE HZ H 3.137 3.220 -8.477 1.00 . A A . 16 PHE HZ 1 1 13 3897 1 1 16 PHE N N -0.871 3.742 -3.621 1.00 . A A . 16 PHE N 1 1 13 3898 1 1 16 PHE O O -2.631 6.252 -3.649 1.00 . A A . 16 PHE O 1 1 13 3899 1 1 17 VAL C C -3.424 6.450 -0.629 1.00 . A A . 17 VAL C 1 1 13 3900 1 1 17 VAL CA C -2.018 7.064 -0.866 1.00 . A A . 17 VAL CA 1 1 13 3901 1 1 17 VAL CB C -2.073 8.619 -1.190 1.00 . A A . 17 VAL CB 1 1 13 3902 1 1 17 VAL CG1 C -3.014 8.982 -2.338 1.00 . A A . 17 VAL CG1 1 1 13 3903 1 1 17 VAL CG2 C -2.369 9.451 0.058 1.00 . A A . 17 VAL CG2 1 1 13 3904 1 1 17 VAL H H -0.348 5.919 -1.537 1.00 . A A . 17 VAL H 1 1 13 3905 1 1 17 VAL HA H -1.500 6.913 0.070 1.00 . A A . 17 VAL HA 1 1 13 3906 1 1 17 VAL HB H -1.081 8.884 -1.528 1.00 . A A . 17 VAL HB 1 1 13 3907 1 1 17 VAL HG11 H -2.696 8.475 -3.237 1.00 . A A . 17 VAL HG11 1 1 13 3908 1 1 17 VAL HG12 H -2.992 10.050 -2.500 1.00 . A A . 17 VAL HG12 1 1 13 3909 1 1 17 VAL HG13 H -4.019 8.676 -2.088 1.00 . A A . 17 VAL HG13 1 1 13 3910 1 1 17 VAL HG21 H -3.323 9.155 0.467 1.00 . A A . 17 VAL HG21 1 1 13 3911 1 1 17 VAL HG22 H -2.399 10.498 -0.204 1.00 . A A . 17 VAL HG22 1 1 13 3912 1 1 17 VAL HG23 H -1.596 9.287 0.795 1.00 . A A . 17 VAL HG23 1 1 13 3913 1 1 17 VAL N N -1.206 6.267 -1.853 1.00 . A A . 17 VAL N 1 1 13 3914 1 1 17 VAL O O -4.286 7.023 0.027 1.00 . A A . 17 VAL O 1 1 13 3915 1 1 18 ARG C C -4.359 3.200 -1.746 1.00 . A A . 18 ARG C 1 1 13 3916 1 1 18 ARG CA C -4.767 4.471 -1.065 1.00 . A A . 18 ARG CA 1 1 13 3917 1 1 18 ARG CB C -5.909 5.191 -1.852 1.00 . A A . 18 ARG CB 1 1 13 3918 1 1 18 ARG CD C -7.926 3.529 -2.147 1.00 . A A . 18 ARG CD 1 1 13 3919 1 1 18 ARG CG C -7.375 4.813 -1.492 1.00 . A A . 18 ARG CG 1 1 13 3920 1 1 18 ARG CZ C -7.914 1.081 -1.668 1.00 . A A . 18 ARG CZ 1 1 13 3921 1 1 18 ARG H H -2.800 4.825 -1.537 1.00 . A A . 18 ARG H 1 1 13 3922 1 1 18 ARG HA H -5.049 4.284 -0.040 1.00 . A A . 18 ARG HA 1 1 13 3923 1 1 18 ARG HB2 H -5.801 6.253 -1.694 1.00 . A A . 18 ARG HB2 1 1 13 3924 1 1 18 ARG HB3 H -5.759 4.993 -2.903 1.00 . A A . 18 ARG HB3 1 1 13 3925 1 1 18 ARG HD2 H -8.987 3.483 -1.953 1.00 . A A . 18 ARG HD2 1 1 13 3926 1 1 18 ARG HD3 H -7.776 3.600 -3.215 1.00 . A A . 18 ARG HD3 1 1 13 3927 1 1 18 ARG HE H -6.405 2.348 -1.296 1.00 . A A . 18 ARG HE 1 1 13 3928 1 1 18 ARG HG2 H -7.435 4.680 -0.422 1.00 . A A . 18 ARG HG2 1 1 13 3929 1 1 18 ARG HG3 H -8.008 5.646 -1.766 1.00 . A A . 18 ARG HG3 1 1 13 3930 1 1 18 ARG HH11 H -9.603 1.674 -2.664 1.00 . A A . 18 ARG HH11 1 1 13 3931 1 1 18 ARG HH12 H -9.553 0.012 -2.318 1.00 . A A . 18 ARG HH12 1 1 13 3932 1 1 18 ARG HH21 H -6.351 0.174 -0.779 1.00 . A A . 18 ARG HH21 1 1 13 3933 1 1 18 ARG HH22 H -7.633 -0.890 -1.086 1.00 . A A . 18 ARG HH22 1 1 13 3934 1 1 18 ARG N N -3.568 5.247 -1.106 1.00 . A A . 18 ARG N 1 1 13 3935 1 1 18 ARG NE N -7.329 2.285 -1.659 1.00 . A A . 18 ARG NE 1 1 13 3936 1 1 18 ARG NH1 N -9.114 0.912 -2.242 1.00 . A A . 18 ARG NH1 1 1 13 3937 1 1 18 ARG NH2 N -7.273 0.049 -1.155 1.00 . A A . 18 ARG NH2 1 1 13 3938 1 1 18 ARG O O -3.640 3.308 -2.788 1.00 . A A . 18 ARG O 1 1 13 3939 1 1 18 ARG OXT O -4.730 2.128 -1.290 1.00 . A A . 18 ARG OXT 1 1 14 3940 1 1 1 LEU C C 7.288 -1.711 -2.332 1.00 . A A . 1 LEU C 1 1 14 3941 1 1 1 LEU CA C 7.173 -2.938 -1.473 1.00 . A A . 1 LEU CA 1 1 14 3942 1 1 1 LEU CB C 7.881 -4.123 -2.148 1.00 . A A . 1 LEU CB 1 1 14 3943 1 1 1 LEU CD1 C 8.523 -6.547 -2.213 1.00 . A A . 1 LEU CD1 1 1 14 3944 1 1 1 LEU CD2 C 8.481 -5.341 -0.024 1.00 . A A . 1 LEU CD2 1 1 14 3945 1 1 1 LEU CG C 7.835 -5.463 -1.401 1.00 . A A . 1 LEU CG 1 1 14 3946 1 1 1 LEU H1 H 5.563 -4.005 -0.649 1.00 . A A . 1 LEU H1 1 1 14 3947 1 1 1 LEU HA H 7.614 -2.740 -0.508 1.00 . A A . 1 LEU HA 1 1 14 3948 1 1 1 LEU HB2 H 7.434 -4.266 -3.120 1.00 . A A . 1 LEU HB2 1 1 14 3949 1 1 1 LEU HB3 H 8.917 -3.854 -2.290 1.00 . A A . 1 LEU HB3 1 1 14 3950 1 1 1 LEU HD11 H 8.481 -7.482 -1.673 1.00 . A A . 1 LEU HD11 1 1 14 3951 1 1 1 LEU HD12 H 9.554 -6.273 -2.379 1.00 . A A . 1 LEU HD12 1 1 14 3952 1 1 1 LEU HD13 H 8.022 -6.659 -3.164 1.00 . A A . 1 LEU HD13 1 1 14 3953 1 1 1 LEU HD21 H 9.508 -5.026 -0.135 1.00 . A A . 1 LEU HD21 1 1 14 3954 1 1 1 LEU HD22 H 8.449 -6.299 0.472 1.00 . A A . 1 LEU HD22 1 1 14 3955 1 1 1 LEU HD23 H 7.941 -4.615 0.566 1.00 . A A . 1 LEU HD23 1 1 14 3956 1 1 1 LEU HG H 6.802 -5.754 -1.269 1.00 . A A . 1 LEU HG 1 1 14 3957 1 1 1 LEU N N 5.754 -3.221 -1.298 1.00 . A A . 1 LEU N 1 1 14 3958 1 1 1 LEU O O 6.274 -1.242 -2.840 1.00 . A A . 1 LEU O 1 1 14 3959 1 1 2 VAL C C 8.179 -0.223 -4.743 1.00 . A A . 2 VAL C 1 1 14 3960 1 1 2 VAL CA C 8.760 -0.021 -3.329 1.00 . A A . 2 VAL CA 1 1 14 3961 1 1 2 VAL CB C 10.291 0.346 -3.363 1.00 . A A . 2 VAL CB 1 1 14 3962 1 1 2 VAL CG1 C 11.163 -0.835 -3.790 1.00 . A A . 2 VAL CG1 1 1 14 3963 1 1 2 VAL CG2 C 10.554 1.556 -4.254 1.00 . A A . 2 VAL CG2 1 1 14 3964 1 1 2 VAL H H 9.274 -1.614 -2.055 1.00 . A A . 2 VAL H 1 1 14 3965 1 1 2 VAL HA H 8.215 0.793 -2.872 1.00 . A A . 2 VAL HA 1 1 14 3966 1 1 2 VAL HB H 10.579 0.604 -2.354 1.00 . A A . 2 VAL HB 1 1 14 3967 1 1 2 VAL HG11 H 12.200 -0.535 -3.800 1.00 . A A . 2 VAL HG11 1 1 14 3968 1 1 2 VAL HG12 H 10.872 -1.157 -4.780 1.00 . A A . 2 VAL HG12 1 1 14 3969 1 1 2 VAL HG13 H 11.030 -1.652 -3.096 1.00 . A A . 2 VAL HG13 1 1 14 3970 1 1 2 VAL HG21 H 10.004 2.407 -3.880 1.00 . A A . 2 VAL HG21 1 1 14 3971 1 1 2 VAL HG22 H 10.232 1.335 -5.261 1.00 . A A . 2 VAL HG22 1 1 14 3972 1 1 2 VAL HG23 H 11.610 1.781 -4.256 1.00 . A A . 2 VAL HG23 1 1 14 3973 1 1 2 VAL N N 8.509 -1.197 -2.499 1.00 . A A . 2 VAL N 1 1 14 3974 1 1 2 VAL O O 8.637 -1.082 -5.503 1.00 . A A . 2 VAL O 1 1 14 3975 1 1 3 ARG C C 5.480 -0.811 -6.357 1.00 . A A . 3 ARG C 1 1 14 3976 1 1 3 ARG CA C 6.325 0.471 -6.251 1.00 . A A . 3 ARG CA 1 1 14 3977 1 1 3 ARG CB C 7.179 0.683 -7.485 1.00 . A A . 3 ARG CB 1 1 14 3978 1 1 3 ARG CD C 8.789 2.112 -8.771 1.00 . A A . 3 ARG CD 1 1 14 3979 1 1 3 ARG CG C 7.930 2.008 -7.523 1.00 . A A . 3 ARG CG 1 1 14 3980 1 1 3 ARG CZ C 10.450 3.700 -9.780 1.00 . A A . 3 ARG CZ 1 1 14 3981 1 1 3 ARG H H 6.749 1.152 -4.374 1.00 . A A . 3 ARG H 1 1 14 3982 1 1 3 ARG HA H 5.623 1.290 -6.175 1.00 . A A . 3 ARG HA 1 1 14 3983 1 1 3 ARG HB2 H 7.870 -0.137 -7.617 1.00 . A A . 3 ARG HB2 1 1 14 3984 1 1 3 ARG HB3 H 6.449 0.691 -8.271 1.00 . A A . 3 ARG HB3 1 1 14 3985 1 1 3 ARG HD2 H 9.499 1.297 -8.775 1.00 . A A . 3 ARG HD2 1 1 14 3986 1 1 3 ARG HD3 H 8.151 2.033 -9.640 1.00 . A A . 3 ARG HD3 1 1 14 3987 1 1 3 ARG HE H 9.295 4.022 -8.126 1.00 . A A . 3 ARG HE 1 1 14 3988 1 1 3 ARG HG2 H 7.216 2.818 -7.517 1.00 . A A . 3 ARG HG2 1 1 14 3989 1 1 3 ARG HG3 H 8.562 2.078 -6.650 1.00 . A A . 3 ARG HG3 1 1 14 3990 1 1 3 ARG HH11 H 10.324 1.910 -10.767 1.00 . A A . 3 ARG HH11 1 1 14 3991 1 1 3 ARG HH12 H 11.436 2.994 -11.452 1.00 . A A . 3 ARG HH12 1 1 14 3992 1 1 3 ARG HH21 H 10.851 5.586 -9.058 1.00 . A A . 3 ARG HH21 1 1 14 3993 1 1 3 ARG HH22 H 11.743 5.167 -10.437 1.00 . A A . 3 ARG HH22 1 1 14 3994 1 1 3 ARG N N 7.097 0.520 -5.026 1.00 . A A . 3 ARG N 1 1 14 3995 1 1 3 ARG NE N 9.531 3.389 -8.840 1.00 . A A . 3 ARG NE 1 1 14 3996 1 1 3 ARG NH1 N 10.761 2.811 -10.734 1.00 . A A . 3 ARG NH1 1 1 14 3997 1 1 3 ARG NH2 N 11.056 4.898 -9.758 1.00 . A A . 3 ARG NH2 1 1 14 3998 1 1 3 ARG O O 4.304 -0.756 -6.699 1.00 . A A . 3 ARG O 1 1 14 3999 1 1 4 GLY C C 4.483 -3.406 -4.882 1.00 . A A . 4 GLY C 1 1 14 4000 1 1 4 GLY CA C 5.380 -3.202 -6.090 1.00 . A A . 4 GLY CA 1 1 14 4001 1 1 4 GLY H H 7.022 -1.901 -5.775 1.00 . A A . 4 GLY H 1 1 14 4002 1 1 4 GLY HA2 H 4.776 -3.233 -6.985 1.00 . A A . 4 GLY HA2 1 1 14 4003 1 1 4 GLY HA3 H 6.102 -4.003 -6.125 1.00 . A A . 4 GLY HA3 1 1 14 4004 1 1 4 GLY N N 6.078 -1.944 -6.043 1.00 . A A . 4 GLY N 1 1 14 4005 1 1 4 GLY O O 4.880 -4.040 -3.882 1.00 . A A . 4 GLY O 1 1 14 4006 1 1 5 CYS C C 1.001 -2.678 -4.537 1.00 . A A . 5 CYS C 1 1 14 4007 1 1 5 CYS CA C 2.311 -2.968 -3.926 1.00 . A A . 5 CYS CA 1 1 14 4008 1 1 5 CYS CB C 2.570 -2.085 -2.716 1.00 . A A . 5 CYS CB 1 1 14 4009 1 1 5 CYS H H 3.140 -2.181 -5.670 1.00 . A A . 5 CYS H 1 1 14 4010 1 1 5 CYS HA H 2.217 -3.996 -3.611 1.00 . A A . 5 CYS HA 1 1 14 4011 1 1 5 CYS HB2 H 3.572 -2.314 -2.421 1.00 . A A . 5 CYS HB2 1 1 14 4012 1 1 5 CYS HB3 H 2.606 -1.040 -2.966 1.00 . A A . 5 CYS HB3 1 1 14 4013 1 1 5 CYS N N 3.330 -2.800 -4.927 1.00 . A A . 5 CYS N 1 1 14 4014 1 1 5 CYS O O 0.890 -1.815 -5.413 1.00 . A A . 5 CYS O 1 1 14 4015 1 1 5 CYS SG S 1.444 -2.360 -1.281 1.00 . A A . 5 CYS SG 1 1 14 4016 1 1 6 TRP C C -2.290 -3.595 -3.507 1.00 . A A . 6 TRP C 1 1 14 4017 1 1 6 TRP CA C -1.282 -3.252 -4.607 1.00 . A A . 6 TRP CA 1 1 14 4018 1 1 6 TRP CB C -1.336 -4.078 -5.903 1.00 . A A . 6 TRP CB 1 1 14 4019 1 1 6 TRP CD1 C -2.670 -6.191 -5.729 1.00 . A A . 6 TRP CD1 1 1 14 4020 1 1 6 TRP CD2 C -3.653 -4.579 -6.901 1.00 . A A . 6 TRP CD2 1 1 14 4021 1 1 6 TRP CE2 C -4.498 -5.694 -6.912 1.00 . A A . 6 TRP CE2 1 1 14 4022 1 1 6 TRP CE3 C -4.039 -3.433 -7.565 1.00 . A A . 6 TRP CE3 1 1 14 4023 1 1 6 TRP CG C -2.512 -4.919 -6.144 1.00 . A A . 6 TRP CG 1 1 14 4024 1 1 6 TRP CH2 C -6.075 -4.527 -8.224 1.00 . A A . 6 TRP CH2 1 1 14 4025 1 1 6 TRP CZ2 C -5.720 -5.687 -7.577 1.00 . A A . 6 TRP CZ2 1 1 14 4026 1 1 6 TRP CZ3 C -5.236 -3.405 -8.216 1.00 . A A . 6 TRP CZ3 1 1 14 4027 1 1 6 TRP H H 0.135 -4.011 -3.356 1.00 . A A . 6 TRP H 1 1 14 4028 1 1 6 TRP HA H -1.405 -2.208 -4.840 1.00 . A A . 6 TRP HA 1 1 14 4029 1 1 6 TRP HB2 H -1.273 -3.387 -6.732 1.00 . A A . 6 TRP HB2 1 1 14 4030 1 1 6 TRP HB3 H -0.455 -4.704 -5.931 1.00 . A A . 6 TRP HB3 1 1 14 4031 1 1 6 TRP HD1 H -1.909 -6.673 -5.126 1.00 . A A . 6 TRP HD1 1 1 14 4032 1 1 6 TRP HE1 H -4.228 -7.580 -6.021 1.00 . A A . 6 TRP HE1 1 1 14 4033 1 1 6 TRP HE3 H -3.408 -2.557 -7.571 1.00 . A A . 6 TRP HE3 1 1 14 4034 1 1 6 TRP HH2 H -7.014 -4.465 -8.754 1.00 . A A . 6 TRP HH2 1 1 14 4035 1 1 6 TRP HZ2 H -6.373 -6.547 -7.588 1.00 . A A . 6 TRP HZ2 1 1 14 4036 1 1 6 TRP HZ3 H -5.521 -2.481 -8.703 1.00 . A A . 6 TRP HZ3 1 1 14 4037 1 1 6 TRP N N 0.015 -3.375 -4.094 1.00 . A A . 6 TRP N 1 1 14 4038 1 1 6 TRP NE1 N -3.874 -6.682 -6.184 1.00 . A A . 6 TRP NE1 1 1 14 4039 1 1 6 TRP O O -2.130 -4.593 -2.804 1.00 . A A . 6 TRP O 1 1 14 4040 1 1 7 THR C C -5.328 -3.809 -2.610 1.00 . A A . 7 THR C 1 1 14 4041 1 1 7 THR CA C -4.197 -2.889 -2.219 1.00 . A A . 7 THR CA 1 1 14 4042 1 1 7 THR CB C -4.752 -1.505 -1.674 1.00 . A A . 7 THR CB 1 1 14 4043 1 1 7 THR CG2 C -3.609 -0.544 -1.447 1.00 . A A . 7 THR CG2 1 1 14 4044 1 1 7 THR H H -3.448 -2.000 -3.945 1.00 . A A . 7 THR H 1 1 14 4045 1 1 7 THR HA H -3.645 -3.370 -1.424 1.00 . A A . 7 THR HA 1 1 14 4046 1 1 7 THR HB H -5.253 -1.668 -0.733 1.00 . A A . 7 THR HB 1 1 14 4047 1 1 7 THR HG1 H -6.204 -1.607 -2.934 1.00 . A A . 7 THR HG1 1 1 14 4048 1 1 7 THR HG21 H -3.136 -0.362 -2.402 1.00 . A A . 7 THR HG21 1 1 14 4049 1 1 7 THR HG22 H -2.896 -0.978 -0.764 1.00 . A A . 7 THR HG22 1 1 14 4050 1 1 7 THR HG23 H -3.992 0.390 -1.064 1.00 . A A . 7 THR HG23 1 1 14 4051 1 1 7 THR N N -3.282 -2.736 -3.316 1.00 . A A . 7 THR N 1 1 14 4052 1 1 7 THR O O -6.265 -3.408 -3.337 1.00 . A A . 7 THR O 1 1 14 4053 1 1 7 THR OG1 O -5.660 -0.878 -2.605 1.00 . A A . 7 THR OG1 1 1 14 4054 1 1 8 LYS C C -7.373 -5.771 -1.468 1.00 . A A . 8 LYS C 1 1 14 4055 1 1 8 LYS CA C -6.242 -6.011 -2.452 1.00 . A A . 8 LYS CA 1 1 14 4056 1 1 8 LYS CB C -5.695 -7.432 -2.267 1.00 . A A . 8 LYS CB 1 1 14 4057 1 1 8 LYS CD C -6.205 -9.913 -2.124 1.00 . A A . 8 LYS CD 1 1 14 4058 1 1 8 LYS CE C -6.027 -9.998 -0.606 1.00 . A A . 8 LYS CE 1 1 14 4059 1 1 8 LYS CG C -6.712 -8.537 -2.555 1.00 . A A . 8 LYS CG 1 1 14 4060 1 1 8 LYS H H -4.393 -5.268 -1.712 1.00 . A A . 8 LYS H 1 1 14 4061 1 1 8 LYS HA H -6.600 -5.889 -3.463 1.00 . A A . 8 LYS HA 1 1 14 4062 1 1 8 LYS HB2 H -4.850 -7.566 -2.927 1.00 . A A . 8 LYS HB2 1 1 14 4063 1 1 8 LYS HB3 H -5.360 -7.530 -1.245 1.00 . A A . 8 LYS HB3 1 1 14 4064 1 1 8 LYS HD2 H -6.918 -10.663 -2.435 1.00 . A A . 8 LYS HD2 1 1 14 4065 1 1 8 LYS HD3 H -5.253 -10.101 -2.601 1.00 . A A . 8 LYS HD3 1 1 14 4066 1 1 8 LYS HE2 H -5.277 -9.286 -0.295 1.00 . A A . 8 LYS HE2 1 1 14 4067 1 1 8 LYS HE3 H -6.968 -9.762 -0.130 1.00 . A A . 8 LYS HE3 1 1 14 4068 1 1 8 LYS HG2 H -7.623 -8.318 -2.017 1.00 . A A . 8 LYS HG2 1 1 14 4069 1 1 8 LYS HG3 H -6.918 -8.552 -3.615 1.00 . A A . 8 LYS HG3 1 1 14 4070 1 1 8 LYS HZ1 H -5.487 -11.364 0.867 1.00 . A A . 8 LYS HZ1 1 1 14 4071 1 1 8 LYS HZ2 H -4.676 -11.591 -0.602 1.00 . A A . 8 LYS HZ2 1 1 14 4072 1 1 8 LYS HZ3 H -6.297 -12.061 -0.442 1.00 . A A . 8 LYS HZ3 1 1 14 4073 1 1 8 LYS N N -5.212 -5.040 -2.198 1.00 . A A . 8 LYS N 1 1 14 4074 1 1 8 LYS NZ N -5.589 -11.349 -0.167 1.00 . A A . 8 LYS NZ 1 1 14 4075 1 1 8 LYS O O -7.264 -6.112 -0.287 1.00 . A A . 8 LYS O 1 1 14 4076 1 1 9 SER C C -10.667 -4.603 -2.205 1.00 . A A . 9 SER C 1 1 14 4077 1 1 9 SER CA C -9.565 -4.847 -1.188 1.00 . A A . 9 SER CA 1 1 14 4078 1 1 9 SER CB C -9.276 -3.575 -0.346 1.00 . A A . 9 SER CB 1 1 14 4079 1 1 9 SER H H -8.446 -4.926 -2.900 1.00 . A A . 9 SER H 1 1 14 4080 1 1 9 SER HA H -9.819 -5.676 -0.545 1.00 . A A . 9 SER HA 1 1 14 4081 1 1 9 SER HB2 H -8.375 -3.727 0.229 1.00 . A A . 9 SER HB2 1 1 14 4082 1 1 9 SER HB3 H -9.135 -2.736 -1.011 1.00 . A A . 9 SER HB3 1 1 14 4083 1 1 9 SER HG H -9.975 -3.108 1.424 1.00 . A A . 9 SER HG 1 1 14 4084 1 1 9 SER N N -8.409 -5.174 -1.952 1.00 . A A . 9 SER N 1 1 14 4085 1 1 9 SER O O -10.570 -5.087 -3.340 1.00 . A A . 9 SER O 1 1 14 4086 1 1 9 SER OG O -10.341 -3.278 0.552 1.00 . A A . 9 SER OG 1 1 14 4087 1 1 10 TYR C C -13.036 -2.032 -2.517 1.00 . A A . 10 TYR C 1 1 14 4088 1 1 10 TYR CA C -12.719 -3.513 -2.728 1.00 . A A . 10 TYR CA 1 1 14 4089 1 1 10 TYR CB C -13.969 -4.385 -2.514 1.00 . A A . 10 TYR CB 1 1 14 4090 1 1 10 TYR CD1 C -15.042 -4.523 -4.798 1.00 . A A . 10 TYR CD1 1 1 14 4091 1 1 10 TYR CD2 C -16.214 -3.355 -3.082 1.00 . A A . 10 TYR CD2 1 1 14 4092 1 1 10 TYR CE1 C -16.062 -4.248 -5.687 1.00 . A A . 10 TYR CE1 1 1 14 4093 1 1 10 TYR CE2 C -17.237 -3.075 -3.965 1.00 . A A . 10 TYR CE2 1 1 14 4094 1 1 10 TYR CG C -15.099 -4.085 -3.482 1.00 . A A . 10 TYR CG 1 1 14 4095 1 1 10 TYR CZ C -17.156 -3.523 -5.266 1.00 . A A . 10 TYR CZ 1 1 14 4096 1 1 10 TYR H H -11.698 -3.540 -0.906 1.00 . A A . 10 TYR H 1 1 14 4097 1 1 10 TYR HA H -12.339 -3.662 -3.732 1.00 . A A . 10 TYR HA 1 1 14 4098 1 1 10 TYR HB2 H -13.699 -5.423 -2.633 1.00 . A A . 10 TYR HB2 1 1 14 4099 1 1 10 TYR HB3 H -14.337 -4.228 -1.511 1.00 . A A . 10 TYR HB3 1 1 14 4100 1 1 10 TYR HD1 H -14.183 -5.091 -5.124 1.00 . A A . 10 TYR HD1 1 1 14 4101 1 1 10 TYR HD2 H -16.274 -3.006 -2.061 1.00 . A A . 10 TYR HD2 1 1 14 4102 1 1 10 TYR HE1 H -15.999 -4.599 -6.707 1.00 . A A . 10 TYR HE1 1 1 14 4103 1 1 10 TYR HE2 H -18.095 -2.507 -3.636 1.00 . A A . 10 TYR HE2 1 1 14 4104 1 1 10 TYR HH H -18.456 -2.335 -6.045 1.00 . A A . 10 TYR HH 1 1 14 4105 1 1 10 TYR N N -11.673 -3.878 -1.831 1.00 . A A . 10 TYR N 1 1 14 4106 1 1 10 TYR O O -13.523 -1.649 -1.460 1.00 . A A . 10 TYR O 1 1 14 4107 1 1 10 TYR OH O -18.172 -3.245 -6.150 1.00 . A A . 10 TYR OH 1 1 14 4108 1 1 11 PRO C C -10.625 -1.851 -4.672 1.00 . A A . 11 PRO C 1 1 14 4109 1 1 11 PRO CA C -12.140 -1.594 -4.761 1.00 . A A . 11 PRO CA 1 1 14 4110 1 1 11 PRO CB C -12.416 -0.433 -5.711 1.00 . A A . 11 PRO CB 1 1 14 4111 1 1 11 PRO CD C -12.978 0.253 -3.487 1.00 . A A . 11 PRO CD 1 1 14 4112 1 1 11 PRO CG C -13.251 0.540 -4.936 1.00 . A A . 11 PRO CG 1 1 14 4113 1 1 11 PRO HA H -12.648 -2.468 -5.136 1.00 . A A . 11 PRO HA 1 1 14 4114 1 1 11 PRO HB2 H -11.473 -0.019 -6.040 1.00 . A A . 11 PRO HB2 1 1 14 4115 1 1 11 PRO HB3 H -12.970 -0.849 -6.538 1.00 . A A . 11 PRO HB3 1 1 14 4116 1 1 11 PRO HD2 H -12.103 0.789 -3.150 1.00 . A A . 11 PRO HD2 1 1 14 4117 1 1 11 PRO HD3 H -13.836 0.494 -2.878 1.00 . A A . 11 PRO HD3 1 1 14 4118 1 1 11 PRO HG2 H -12.964 1.550 -5.189 1.00 . A A . 11 PRO HG2 1 1 14 4119 1 1 11 PRO HG3 H -14.298 0.379 -5.143 1.00 . A A . 11 PRO HG3 1 1 14 4120 1 1 11 PRO N N -12.739 -1.181 -3.506 1.00 . A A . 11 PRO N 1 1 14 4121 1 1 11 PRO O O -9.903 -1.205 -3.898 1.00 . A A . 11 PRO O 1 1 14 4122 1 1 12 PRO C C -7.980 -2.141 -6.399 1.00 . A A . 12 PRO C 1 1 14 4123 1 1 12 PRO CA C -8.739 -3.140 -5.513 1.00 . A A . 12 PRO CA 1 1 14 4124 1 1 12 PRO CB C -8.735 -4.554 -6.102 1.00 . A A . 12 PRO CB 1 1 14 4125 1 1 12 PRO CD C -10.951 -3.607 -6.384 1.00 . A A . 12 PRO CD 1 1 14 4126 1 1 12 PRO CG C -10.019 -4.693 -6.863 1.00 . A A . 12 PRO CG 1 1 14 4127 1 1 12 PRO HA H -8.302 -3.138 -4.525 1.00 . A A . 12 PRO HA 1 1 14 4128 1 1 12 PRO HB2 H -7.877 -4.672 -6.748 1.00 . A A . 12 PRO HB2 1 1 14 4129 1 1 12 PRO HB3 H -8.710 -5.286 -5.309 1.00 . A A . 12 PRO HB3 1 1 14 4130 1 1 12 PRO HD2 H -11.291 -2.985 -7.194 1.00 . A A . 12 PRO HD2 1 1 14 4131 1 1 12 PRO HD3 H -11.826 -3.988 -5.884 1.00 . A A . 12 PRO HD3 1 1 14 4132 1 1 12 PRO HG2 H -9.824 -4.582 -7.920 1.00 . A A . 12 PRO HG2 1 1 14 4133 1 1 12 PRO HG3 H -10.461 -5.658 -6.666 1.00 . A A . 12 PRO HG3 1 1 14 4134 1 1 12 PRO N N -10.144 -2.802 -5.460 1.00 . A A . 12 PRO N 1 1 14 4135 1 1 12 PRO O O -8.371 -1.877 -7.535 1.00 . A A . 12 PRO O 1 1 14 4136 1 1 13 LYS C C -4.723 -0.602 -6.085 1.00 . A A . 13 LYS C 1 1 14 4137 1 1 13 LYS CA C -6.199 -0.511 -6.538 1.00 . A A . 13 LYS CA 1 1 14 4138 1 1 13 LYS CB C -6.903 0.778 -6.061 1.00 . A A . 13 LYS CB 1 1 14 4139 1 1 13 LYS CD C -5.191 2.684 -6.182 1.00 . A A . 13 LYS CD 1 1 14 4140 1 1 13 LYS CE C -5.221 3.090 -4.680 1.00 . A A . 13 LYS CE 1 1 14 4141 1 1 13 LYS CG C -6.512 2.114 -6.690 1.00 . A A . 13 LYS CG 1 1 14 4142 1 1 13 LYS H H -6.564 -1.903 -5.013 1.00 . A A . 13 LYS H 1 1 14 4143 1 1 13 LYS HA H -6.290 -0.612 -7.608 1.00 . A A . 13 LYS HA 1 1 14 4144 1 1 13 LYS HB2 H -7.969 0.653 -6.184 1.00 . A A . 13 LYS HB2 1 1 14 4145 1 1 13 LYS HB3 H -6.682 0.805 -5.008 1.00 . A A . 13 LYS HB3 1 1 14 4146 1 1 13 LYS HD2 H -4.469 1.889 -6.321 1.00 . A A . 13 LYS HD2 1 1 14 4147 1 1 13 LYS HD3 H -4.916 3.534 -6.790 1.00 . A A . 13 LYS HD3 1 1 14 4148 1 1 13 LYS HE2 H -4.400 3.766 -4.492 1.00 . A A . 13 LYS HE2 1 1 14 4149 1 1 13 LYS HE3 H -6.149 3.608 -4.488 1.00 . A A . 13 LYS HE3 1 1 14 4150 1 1 13 LYS HG2 H -6.436 1.983 -7.759 1.00 . A A . 13 LYS HG2 1 1 14 4151 1 1 13 LYS HG3 H -7.301 2.823 -6.484 1.00 . A A . 13 LYS HG3 1 1 14 4152 1 1 13 LYS HZ1 H -4.944 2.269 -2.760 1.00 . A A . 13 LYS HZ1 1 1 14 4153 1 1 13 LYS HZ2 H -4.248 1.391 -3.995 1.00 . A A . 13 LYS HZ2 1 1 14 4154 1 1 13 LYS HZ3 H -5.911 1.281 -3.707 1.00 . A A . 13 LYS HZ3 1 1 14 4155 1 1 13 LYS N N -6.915 -1.581 -5.871 1.00 . A A . 13 LYS N 1 1 14 4156 1 1 13 LYS NZ N -5.101 1.930 -3.729 1.00 . A A . 13 LYS NZ 1 1 14 4157 1 1 13 LYS O O -4.490 -0.997 -4.975 1.00 . A A . 13 LYS O 1 1 14 4158 1 1 14 PRO C C -1.931 0.459 -5.249 1.00 . A A . 14 PRO C 1 1 14 4159 1 1 14 PRO CA C -2.273 -0.379 -6.520 1.00 . A A . 14 PRO CA 1 1 14 4160 1 1 14 PRO CB C -1.518 0.148 -7.748 1.00 . A A . 14 PRO CB 1 1 14 4161 1 1 14 PRO CD C -3.841 0.189 -8.315 1.00 . A A . 14 PRO CD 1 1 14 4162 1 1 14 PRO CG C -2.538 0.902 -8.539 1.00 . A A . 14 PRO CG 1 1 14 4163 1 1 14 PRO HA H -2.030 -1.417 -6.358 1.00 . A A . 14 PRO HA 1 1 14 4164 1 1 14 PRO HB2 H -0.695 0.764 -7.420 1.00 . A A . 14 PRO HB2 1 1 14 4165 1 1 14 PRO HB3 H -1.149 -0.680 -8.335 1.00 . A A . 14 PRO HB3 1 1 14 4166 1 1 14 PRO HD2 H -4.672 0.869 -8.427 1.00 . A A . 14 PRO HD2 1 1 14 4167 1 1 14 PRO HD3 H -3.938 -0.648 -8.990 1.00 . A A . 14 PRO HD3 1 1 14 4168 1 1 14 PRO HG2 H -2.592 1.920 -8.182 1.00 . A A . 14 PRO HG2 1 1 14 4169 1 1 14 PRO HG3 H -2.290 0.880 -9.590 1.00 . A A . 14 PRO HG3 1 1 14 4170 1 1 14 PRO N N -3.712 -0.274 -6.923 1.00 . A A . 14 PRO N 1 1 14 4171 1 1 14 PRO O O -2.720 1.314 -4.834 1.00 . A A . 14 PRO O 1 1 14 4172 1 1 15 CYS C C 0.298 2.222 -3.861 1.00 . A A . 15 CYS C 1 1 14 4173 1 1 15 CYS CA C -0.435 0.966 -3.442 1.00 . A A . 15 CYS CA 1 1 14 4174 1 1 15 CYS CB C 0.500 0.140 -2.599 1.00 . A A . 15 CYS CB 1 1 14 4175 1 1 15 CYS H H -0.143 -0.495 -4.851 1.00 . A A . 15 CYS H 1 1 14 4176 1 1 15 CYS HA H -1.310 1.205 -2.859 1.00 . A A . 15 CYS HA 1 1 14 4177 1 1 15 CYS HB2 H 1.100 -0.286 -3.384 1.00 . A A . 15 CYS HB2 1 1 14 4178 1 1 15 CYS HB3 H 1.139 0.695 -1.933 1.00 . A A . 15 CYS HB3 1 1 14 4179 1 1 15 CYS N N -0.808 0.199 -4.602 1.00 . A A . 15 CYS N 1 1 14 4180 1 1 15 CYS O O 0.284 2.621 -5.024 1.00 . A A . 15 CYS O 1 1 14 4181 1 1 15 CYS SG S -0.209 -1.284 -1.736 1.00 . A A . 15 CYS SG 1 1 14 4182 1 1 16 PHE C C 3.180 3.388 -3.236 1.00 . A A . 16 PHE C 1 1 14 4183 1 1 16 PHE CA C 1.769 3.963 -3.120 1.00 . A A . 16 PHE CA 1 1 14 4184 1 1 16 PHE CB C 1.683 4.944 -1.938 1.00 . A A . 16 PHE CB 1 1 14 4185 1 1 16 PHE CD1 C -0.150 6.588 -2.436 1.00 . A A . 16 PHE CD1 1 1 14 4186 1 1 16 PHE CD2 C -0.536 4.941 -0.754 1.00 . A A . 16 PHE CD2 1 1 14 4187 1 1 16 PHE CE1 C -1.415 7.103 -2.226 1.00 . A A . 16 PHE CE1 1 1 14 4188 1 1 16 PHE CE2 C -1.802 5.452 -0.538 1.00 . A A . 16 PHE CE2 1 1 14 4189 1 1 16 PHE CG C 0.303 5.502 -1.705 1.00 . A A . 16 PHE CG 1 1 14 4190 1 1 16 PHE CZ C -2.242 6.535 -1.276 1.00 . A A . 16 PHE CZ 1 1 14 4191 1 1 16 PHE H H 0.743 2.512 -1.990 1.00 . A A . 16 PHE H 1 1 14 4192 1 1 16 PHE HA H 1.490 4.454 -4.040 1.00 . A A . 16 PHE HA 1 1 14 4193 1 1 16 PHE HB2 H 1.989 4.436 -1.036 1.00 . A A . 16 PHE HB2 1 1 14 4194 1 1 16 PHE HB3 H 2.353 5.772 -2.119 1.00 . A A . 16 PHE HB3 1 1 14 4195 1 1 16 PHE HD1 H 0.494 7.031 -3.181 1.00 . A A . 16 PHE HD1 1 1 14 4196 1 1 16 PHE HD2 H -0.193 4.095 -0.177 1.00 . A A . 16 PHE HD2 1 1 14 4197 1 1 16 PHE HE1 H -1.756 7.949 -2.803 1.00 . A A . 16 PHE HE1 1 1 14 4198 1 1 16 PHE HE2 H -2.445 5.007 0.205 1.00 . A A . 16 PHE HE2 1 1 14 4199 1 1 16 PHE HZ H -3.230 6.936 -1.109 1.00 . A A . 16 PHE HZ 1 1 14 4200 1 1 16 PHE N N 0.893 2.847 -2.896 1.00 . A A . 16 PHE N 1 1 14 4201 1 1 16 PHE O O 3.342 2.178 -3.446 1.00 . A A . 16 PHE O 1 1 14 4202 1 1 17 VAL C C 5.940 3.131 -1.766 1.00 . A A . 17 VAL C 1 1 14 4203 1 1 17 VAL CA C 5.549 3.698 -3.146 1.00 . A A . 17 VAL CA 1 1 14 4204 1 1 17 VAL CB C 6.571 4.775 -3.631 1.00 . A A . 17 VAL CB 1 1 14 4205 1 1 17 VAL CG1 C 7.957 4.172 -3.843 1.00 . A A . 17 VAL CG1 1 1 14 4206 1 1 17 VAL CG2 C 6.085 5.442 -4.913 1.00 . A A . 17 VAL CG2 1 1 14 4207 1 1 17 VAL H H 4.041 5.159 -2.928 1.00 . A A . 17 VAL H 1 1 14 4208 1 1 17 VAL HA H 5.538 2.873 -3.845 1.00 . A A . 17 VAL HA 1 1 14 4209 1 1 17 VAL HB H 6.650 5.532 -2.864 1.00 . A A . 17 VAL HB 1 1 14 4210 1 1 17 VAL HG11 H 8.639 4.940 -4.176 1.00 . A A . 17 VAL HG11 1 1 14 4211 1 1 17 VAL HG12 H 7.899 3.393 -4.589 1.00 . A A . 17 VAL HG12 1 1 14 4212 1 1 17 VAL HG13 H 8.311 3.753 -2.912 1.00 . A A . 17 VAL HG13 1 1 14 4213 1 1 17 VAL HG21 H 5.133 5.918 -4.732 1.00 . A A . 17 VAL HG21 1 1 14 4214 1 1 17 VAL HG22 H 5.974 4.696 -5.687 1.00 . A A . 17 VAL HG22 1 1 14 4215 1 1 17 VAL HG23 H 6.803 6.184 -5.230 1.00 . A A . 17 VAL HG23 1 1 14 4216 1 1 17 VAL N N 4.193 4.206 -3.089 1.00 . A A . 17 VAL N 1 1 14 4217 1 1 17 VAL O O 6.714 3.727 -1.029 1.00 . A A . 17 VAL O 1 1 14 4218 1 1 18 ARG C C 4.619 0.062 -0.255 1.00 . A A . 18 ARG C 1 1 14 4219 1 1 18 ARG CA C 5.464 1.308 -0.179 1.00 . A A . 18 ARG CA 1 1 14 4220 1 1 18 ARG CB C 5.144 2.181 1.094 1.00 . A A . 18 ARG CB 1 1 14 4221 1 1 18 ARG CD C 2.741 2.215 2.064 1.00 . A A . 18 ARG CD 1 1 14 4222 1 1 18 ARG CG C 3.772 2.902 1.144 1.00 . A A . 18 ARG CG 1 1 14 4223 1 1 18 ARG CZ C 1.492 0.057 2.178 1.00 . A A . 18 ARG CZ 1 1 14 4224 1 1 18 ARG H H 4.607 1.660 -2.022 1.00 . A A . 18 ARG H 1 1 14 4225 1 1 18 ARG HA H 6.498 0.994 -0.154 1.00 . A A . 18 ARG HA 1 1 14 4226 1 1 18 ARG HB2 H 5.197 1.540 1.962 1.00 . A A . 18 ARG HB2 1 1 14 4227 1 1 18 ARG HB3 H 5.920 2.928 1.185 1.00 . A A . 18 ARG HB3 1 1 14 4228 1 1 18 ARG HD2 H 3.183 2.081 3.041 1.00 . A A . 18 ARG HD2 1 1 14 4229 1 1 18 ARG HD3 H 1.879 2.860 2.156 1.00 . A A . 18 ARG HD3 1 1 14 4230 1 1 18 ARG HE H 2.690 0.671 0.681 1.00 . A A . 18 ARG HE 1 1 14 4231 1 1 18 ARG HG2 H 3.920 3.911 1.495 1.00 . A A . 18 ARG HG2 1 1 14 4232 1 1 18 ARG HG3 H 3.375 2.934 0.140 1.00 . A A . 18 ARG HG3 1 1 14 4233 1 1 18 ARG HH11 H 1.198 1.207 3.834 1.00 . A A . 18 ARG HH11 1 1 14 4234 1 1 18 ARG HH12 H 0.365 -0.283 3.863 1.00 . A A . 18 ARG HH12 1 1 14 4235 1 1 18 ARG HH21 H 1.596 -1.298 0.677 1.00 . A A . 18 ARG HH21 1 1 14 4236 1 1 18 ARG HH22 H 0.600 -1.797 1.962 1.00 . A A . 18 ARG HH22 1 1 14 4237 1 1 18 ARG N N 5.289 2.033 -1.418 1.00 . A A . 18 ARG N 1 1 14 4238 1 1 18 ARG NE N 2.307 0.912 1.570 1.00 . A A . 18 ARG NE 1 1 14 4239 1 1 18 ARG NH1 N 0.976 0.343 3.379 1.00 . A A . 18 ARG NH1 1 1 14 4240 1 1 18 ARG NH2 N 1.199 -1.093 1.580 1.00 . A A . 18 ARG NH2 1 1 14 4241 1 1 18 ARG O O 5.135 -1.042 -0.054 1.00 . A A . 18 ARG O 1 1 14 4242 1 1 18 ARG OXT O 3.438 0.186 -0.626 1.00 . A A . 18 ARG OXT 1 1 15 4243 1 1 1 LEU C C 10.982 2.207 -3.146 1.00 . A A . 1 LEU C 1 1 15 4244 1 1 1 LEU CA C 11.671 3.377 -2.476 1.00 . A A . 1 LEU CA 1 1 15 4245 1 1 1 LEU CB C 11.464 4.719 -3.249 1.00 . A A . 1 LEU CB 1 1 15 4246 1 1 1 LEU CD1 C 10.223 6.854 -3.704 1.00 . A A . 1 LEU CD1 1 1 15 4247 1 1 1 LEU CD2 C 8.999 4.720 -3.900 1.00 . A A . 1 LEU CD2 1 1 15 4248 1 1 1 LEU CG C 10.096 5.449 -3.142 1.00 . A A . 1 LEU CG 1 1 15 4249 1 1 1 LEU H1 H 13.679 3.804 -2.074 1.00 . A A . 1 LEU H1 1 1 15 4250 1 1 1 LEU HA H 11.335 3.463 -1.452 1.00 . A A . 1 LEU HA 1 1 15 4251 1 1 1 LEU HB2 H 12.222 5.408 -2.909 1.00 . A A . 1 LEU HB2 1 1 15 4252 1 1 1 LEU HB3 H 11.653 4.518 -4.294 1.00 . A A . 1 LEU HB3 1 1 15 4253 1 1 1 LEU HD11 H 9.269 7.357 -3.635 1.00 . A A . 1 LEU HD11 1 1 15 4254 1 1 1 LEU HD12 H 10.530 6.803 -4.739 1.00 . A A . 1 LEU HD12 1 1 15 4255 1 1 1 LEU HD13 H 10.960 7.405 -3.138 1.00 . A A . 1 LEU HD13 1 1 15 4256 1 1 1 LEU HD21 H 8.067 5.256 -3.792 1.00 . A A . 1 LEU HD21 1 1 15 4257 1 1 1 LEU HD22 H 8.889 3.721 -3.504 1.00 . A A . 1 LEU HD22 1 1 15 4258 1 1 1 LEU HD23 H 9.263 4.666 -4.946 1.00 . A A . 1 LEU HD23 1 1 15 4259 1 1 1 LEU HG H 9.814 5.527 -2.101 1.00 . A A . 1 LEU HG 1 1 15 4260 1 1 1 LEU N N 13.100 3.049 -2.488 1.00 . A A . 1 LEU N 1 1 15 4261 1 1 1 LEU O O 11.503 1.693 -4.120 1.00 . A A . 1 LEU O 1 1 15 4262 1 1 2 VAL C C 7.902 1.045 -3.838 1.00 . A A . 2 VAL C 1 1 15 4263 1 1 2 VAL CA C 9.179 0.598 -3.151 1.00 . A A . 2 VAL CA 1 1 15 4264 1 1 2 VAL CB C 8.836 -0.436 -2.029 1.00 . A A . 2 VAL CB 1 1 15 4265 1 1 2 VAL CG1 C 8.135 -1.668 -2.599 1.00 . A A . 2 VAL CG1 1 1 15 4266 1 1 2 VAL CG2 C 10.091 -0.850 -1.268 1.00 . A A . 2 VAL CG2 1 1 15 4267 1 1 2 VAL H H 9.432 2.204 -1.853 1.00 . A A . 2 VAL H 1 1 15 4268 1 1 2 VAL HA H 9.827 0.128 -3.876 1.00 . A A . 2 VAL HA 1 1 15 4269 1 1 2 VAL HB H 8.159 0.040 -1.335 1.00 . A A . 2 VAL HB 1 1 15 4270 1 1 2 VAL HG11 H 8.778 -2.145 -3.323 1.00 . A A . 2 VAL HG11 1 1 15 4271 1 1 2 VAL HG12 H 7.215 -1.368 -3.079 1.00 . A A . 2 VAL HG12 1 1 15 4272 1 1 2 VAL HG13 H 7.914 -2.360 -1.800 1.00 . A A . 2 VAL HG13 1 1 15 4273 1 1 2 VAL HG21 H 10.793 -1.302 -1.952 1.00 . A A . 2 VAL HG21 1 1 15 4274 1 1 2 VAL HG22 H 9.829 -1.561 -0.499 1.00 . A A . 2 VAL HG22 1 1 15 4275 1 1 2 VAL HG23 H 10.542 0.022 -0.816 1.00 . A A . 2 VAL HG23 1 1 15 4276 1 1 2 VAL N N 9.869 1.757 -2.609 1.00 . A A . 2 VAL N 1 1 15 4277 1 1 2 VAL O O 7.157 1.838 -3.291 1.00 . A A . 2 VAL O 1 1 15 4278 1 1 3 ARG C C 5.764 -0.379 -6.203 1.00 . A A . 3 ARG C 1 1 15 4279 1 1 3 ARG CA C 6.479 0.896 -5.792 1.00 . A A . 3 ARG CA 1 1 15 4280 1 1 3 ARG CB C 6.749 1.796 -7.010 1.00 . A A . 3 ARG CB 1 1 15 4281 1 1 3 ARG CD C 7.296 4.100 -7.875 1.00 . A A . 3 ARG CD 1 1 15 4282 1 1 3 ARG CG C 7.104 3.230 -6.645 1.00 . A A . 3 ARG CG 1 1 15 4283 1 1 3 ARG CZ C 7.909 6.503 -8.297 1.00 . A A . 3 ARG CZ 1 1 15 4284 1 1 3 ARG H H 8.389 0.046 -5.489 1.00 . A A . 3 ARG H 1 1 15 4285 1 1 3 ARG HA H 5.836 1.425 -5.104 1.00 . A A . 3 ARG HA 1 1 15 4286 1 1 3 ARG HB2 H 7.567 1.378 -7.576 1.00 . A A . 3 ARG HB2 1 1 15 4287 1 1 3 ARG HB3 H 5.865 1.812 -7.629 1.00 . A A . 3 ARG HB3 1 1 15 4288 1 1 3 ARG HD2 H 8.207 3.803 -8.373 1.00 . A A . 3 ARG HD2 1 1 15 4289 1 1 3 ARG HD3 H 6.457 3.955 -8.541 1.00 . A A . 3 ARG HD3 1 1 15 4290 1 1 3 ARG HE H 6.972 5.743 -6.653 1.00 . A A . 3 ARG HE 1 1 15 4291 1 1 3 ARG HG2 H 6.320 3.655 -6.038 1.00 . A A . 3 ARG HG2 1 1 15 4292 1 1 3 ARG HG3 H 8.024 3.219 -6.080 1.00 . A A . 3 ARG HG3 1 1 15 4293 1 1 3 ARG HH11 H 8.592 5.245 -9.765 1.00 . A A . 3 ARG HH11 1 1 15 4294 1 1 3 ARG HH12 H 8.919 6.886 -10.055 1.00 . A A . 3 ARG HH12 1 1 15 4295 1 1 3 ARG HH21 H 7.394 8.042 -7.041 1.00 . A A . 3 ARG HH21 1 1 15 4296 1 1 3 ARG HH22 H 8.206 8.539 -8.444 1.00 . A A . 3 ARG HH22 1 1 15 4297 1 1 3 ARG N N 7.700 0.593 -5.059 1.00 . A A . 3 ARG N 1 1 15 4298 1 1 3 ARG NE N 7.383 5.531 -7.521 1.00 . A A . 3 ARG NE 1 1 15 4299 1 1 3 ARG NH1 N 8.516 6.193 -9.452 1.00 . A A . 3 ARG NH1 1 1 15 4300 1 1 3 ARG NH2 N 7.836 7.781 -7.902 1.00 . A A . 3 ARG NH2 1 1 15 4301 1 1 3 ARG O O 4.746 -0.346 -6.919 1.00 . A A . 3 ARG O 1 1 15 4302 1 1 4 GLY C C 4.776 -3.183 -4.923 1.00 . A A . 4 GLY C 1 1 15 4303 1 1 4 GLY CA C 5.669 -2.758 -6.046 1.00 . A A . 4 GLY CA 1 1 15 4304 1 1 4 GLY H H 7.036 -1.466 -5.126 1.00 . A A . 4 GLY H 1 1 15 4305 1 1 4 GLY HA2 H 5.088 -2.659 -6.952 1.00 . A A . 4 GLY HA2 1 1 15 4306 1 1 4 GLY HA3 H 6.438 -3.503 -6.187 1.00 . A A . 4 GLY HA3 1 1 15 4307 1 1 4 GLY N N 6.272 -1.496 -5.734 1.00 . A A . 4 GLY N 1 1 15 4308 1 1 4 GLY O O 5.151 -3.988 -4.087 1.00 . A A . 4 GLY O 1 1 15 4309 1 1 5 CYS C C 1.245 -2.616 -4.463 1.00 . A A . 5 CYS C 1 1 15 4310 1 1 5 CYS CA C 2.631 -2.878 -3.903 1.00 . A A . 5 CYS CA 1 1 15 4311 1 1 5 CYS CB C 2.922 -2.050 -2.637 1.00 . A A . 5 CYS CB 1 1 15 4312 1 1 5 CYS H H 3.374 -1.938 -5.567 1.00 . A A . 5 CYS H 1 1 15 4313 1 1 5 CYS HA H 2.691 -3.928 -3.654 1.00 . A A . 5 CYS HA 1 1 15 4314 1 1 5 CYS HB2 H 1.984 -1.914 -2.124 1.00 . A A . 5 CYS HB2 1 1 15 4315 1 1 5 CYS HB3 H 3.605 -2.592 -1.999 1.00 . A A . 5 CYS HB3 1 1 15 4316 1 1 5 CYS N N 3.611 -2.611 -4.898 1.00 . A A . 5 CYS N 1 1 15 4317 1 1 5 CYS O O 1.059 -1.722 -5.316 1.00 . A A . 5 CYS O 1 1 15 4318 1 1 5 CYS SG S 3.617 -0.362 -2.927 1.00 . A A . 5 CYS SG 1 1 15 4319 1 1 6 TRP C C -2.010 -3.750 -3.419 1.00 . A A . 6 TRP C 1 1 15 4320 1 1 6 TRP CA C -1.056 -3.278 -4.516 1.00 . A A . 6 TRP CA 1 1 15 4321 1 1 6 TRP CB C -1.164 -4.041 -5.864 1.00 . A A . 6 TRP CB 1 1 15 4322 1 1 6 TRP CD1 C -1.976 -6.455 -5.663 1.00 . A A . 6 TRP CD1 1 1 15 4323 1 1 6 TRP CD2 C -3.484 -5.023 -6.463 1.00 . A A . 6 TRP CD2 1 1 15 4324 1 1 6 TRP CE2 C -4.061 -6.301 -6.433 1.00 . A A . 6 TRP CE2 1 1 15 4325 1 1 6 TRP CE3 C -4.234 -3.953 -6.925 1.00 . A A . 6 TRP CE3 1 1 15 4326 1 1 6 TRP CG C -2.163 -5.140 -5.968 1.00 . A A . 6 TRP CG 1 1 15 4327 1 1 6 TRP CH2 C -6.074 -5.459 -7.308 1.00 . A A . 6 TRP CH2 1 1 15 4328 1 1 6 TRP CZ2 C -5.361 -6.536 -6.858 1.00 . A A . 6 TRP CZ2 1 1 15 4329 1 1 6 TRP CZ3 C -5.515 -4.170 -7.342 1.00 . A A . 6 TRP CZ3 1 1 15 4330 1 1 6 TRP H H 0.452 -4.109 -3.384 1.00 . A A . 6 TRP H 1 1 15 4331 1 1 6 TRP HA H -1.235 -2.227 -4.679 1.00 . A A . 6 TRP HA 1 1 15 4332 1 1 6 TRP HB2 H -1.386 -3.344 -6.659 1.00 . A A . 6 TRP HB2 1 1 15 4333 1 1 6 TRP HB3 H -0.191 -4.463 -6.070 1.00 . A A . 6 TRP HB3 1 1 15 4334 1 1 6 TRP HD1 H -1.055 -6.855 -5.262 1.00 . A A . 6 TRP HD1 1 1 15 4335 1 1 6 TRP HE1 H -3.231 -8.127 -5.806 1.00 . A A . 6 TRP HE1 1 1 15 4336 1 1 6 TRP HE3 H -3.819 -2.957 -6.955 1.00 . A A . 6 TRP HE3 1 1 15 4337 1 1 6 TRP HH2 H -7.089 -5.599 -7.652 1.00 . A A . 6 TRP HH2 1 1 15 4338 1 1 6 TRP HZ2 H -5.803 -7.520 -6.838 1.00 . A A . 6 TRP HZ2 1 1 15 4339 1 1 6 TRP HZ3 H -6.088 -3.317 -7.684 1.00 . A A . 6 TRP HZ3 1 1 15 4340 1 1 6 TRP N N 0.290 -3.398 -4.041 1.00 . A A . 6 TRP N 1 1 15 4341 1 1 6 TRP NE1 N -3.117 -7.163 -5.940 1.00 . A A . 6 TRP NE1 1 1 15 4342 1 1 6 TRP O O -1.683 -4.687 -2.692 1.00 . A A . 6 TRP O 1 1 15 4343 1 1 7 THR C C -5.152 -4.286 -2.698 1.00 . A A . 7 THR C 1 1 15 4344 1 1 7 THR CA C -4.034 -3.392 -2.188 1.00 . A A . 7 THR CA 1 1 15 4345 1 1 7 THR CB C -4.645 -2.111 -1.504 1.00 . A A . 7 THR CB 1 1 15 4346 1 1 7 THR CG2 C -3.539 -1.160 -1.058 1.00 . A A . 7 THR CG2 1 1 15 4347 1 1 7 THR H H -3.402 -2.325 -3.833 1.00 . A A . 7 THR H 1 1 15 4348 1 1 7 THR HA H -3.476 -3.936 -1.440 1.00 . A A . 7 THR HA 1 1 15 4349 1 1 7 THR HB H -5.210 -2.414 -0.635 1.00 . A A . 7 THR HB 1 1 15 4350 1 1 7 THR HG1 H -6.399 -1.754 -2.308 1.00 . A A . 7 THR HG1 1 1 15 4351 1 1 7 THR HG21 H -2.980 -0.838 -1.925 1.00 . A A . 7 THR HG21 1 1 15 4352 1 1 7 THR HG22 H -2.878 -1.658 -0.363 1.00 . A A . 7 THR HG22 1 1 15 4353 1 1 7 THR HG23 H -3.981 -0.295 -0.587 1.00 . A A . 7 THR HG23 1 1 15 4354 1 1 7 THR N N -3.122 -3.063 -3.242 1.00 . A A . 7 THR N 1 1 15 4355 1 1 7 THR O O -5.882 -3.927 -3.647 1.00 . A A . 7 THR O 1 1 15 4356 1 1 7 THR OG1 O -5.505 -1.401 -2.405 1.00 . A A . 7 THR OG1 1 1 15 4357 1 1 8 LYS C C -7.533 -5.824 -1.539 1.00 . A A . 8 LYS C 1 1 15 4358 1 1 8 LYS CA C -6.396 -6.276 -2.436 1.00 . A A . 8 LYS CA 1 1 15 4359 1 1 8 LYS CB C -6.098 -7.763 -2.211 1.00 . A A . 8 LYS CB 1 1 15 4360 1 1 8 LYS CD C -7.001 -10.117 -2.161 1.00 . A A . 8 LYS CD 1 1 15 4361 1 1 8 LYS CE C -8.234 -10.984 -2.379 1.00 . A A . 8 LYS CE 1 1 15 4362 1 1 8 LYS CG C -7.288 -8.668 -2.506 1.00 . A A . 8 LYS CG 1 1 15 4363 1 1 8 LYS H H -4.599 -5.755 -1.477 1.00 . A A . 8 LYS H 1 1 15 4364 1 1 8 LYS HA H -6.664 -6.103 -3.468 1.00 . A A . 8 LYS HA 1 1 15 4365 1 1 8 LYS HB2 H -5.277 -8.057 -2.849 1.00 . A A . 8 LYS HB2 1 1 15 4366 1 1 8 LYS HB3 H -5.811 -7.907 -1.179 1.00 . A A . 8 LYS HB3 1 1 15 4367 1 1 8 LYS HD2 H -6.201 -10.478 -2.792 1.00 . A A . 8 LYS HD2 1 1 15 4368 1 1 8 LYS HD3 H -6.704 -10.180 -1.125 1.00 . A A . 8 LYS HD3 1 1 15 4369 1 1 8 LYS HE2 H -8.520 -10.930 -3.418 1.00 . A A . 8 LYS HE2 1 1 15 4370 1 1 8 LYS HE3 H -7.991 -12.005 -2.126 1.00 . A A . 8 LYS HE3 1 1 15 4371 1 1 8 LYS HG2 H -8.132 -8.332 -1.923 1.00 . A A . 8 LYS HG2 1 1 15 4372 1 1 8 LYS HG3 H -7.528 -8.594 -3.556 1.00 . A A . 8 LYS HG3 1 1 15 4373 1 1 8 LYS HZ1 H -9.637 -9.554 -1.770 1.00 . A A . 8 LYS HZ1 1 1 15 4374 1 1 8 LYS HZ2 H -9.134 -10.584 -0.528 1.00 . A A . 8 LYS HZ2 1 1 15 4375 1 1 8 LYS HZ3 H -10.214 -11.140 -1.705 1.00 . A A . 8 LYS HZ3 1 1 15 4376 1 1 8 LYS N N -5.273 -5.459 -2.123 1.00 . A A . 8 LYS N 1 1 15 4377 1 1 8 LYS NZ N -9.384 -10.536 -1.536 1.00 . A A . 8 LYS NZ 1 1 15 4378 1 1 8 LYS O O -7.577 -6.150 -0.353 1.00 . A A . 8 LYS O 1 1 15 4379 1 1 9 SER C C -10.714 -4.468 -2.326 1.00 . A A . 9 SER C 1 1 15 4380 1 1 9 SER CA C -9.516 -4.517 -1.399 1.00 . A A . 9 SER CA 1 1 15 4381 1 1 9 SER CB C -9.083 -3.105 -0.933 1.00 . A A . 9 SER CB 1 1 15 4382 1 1 9 SER H H -8.357 -4.890 -3.060 1.00 . A A . 9 SER H 1 1 15 4383 1 1 9 SER HA H -9.739 -5.121 -0.532 1.00 . A A . 9 SER HA 1 1 15 4384 1 1 9 SER HB2 H -9.954 -2.548 -0.622 1.00 . A A . 9 SER HB2 1 1 15 4385 1 1 9 SER HB3 H -8.398 -3.195 -0.104 1.00 . A A . 9 SER HB3 1 1 15 4386 1 1 9 SER HG H -9.076 -1.812 -2.437 1.00 . A A . 9 SER HG 1 1 15 4387 1 1 9 SER N N -8.423 -5.097 -2.105 1.00 . A A . 9 SER N 1 1 15 4388 1 1 9 SER O O -10.722 -5.157 -3.353 1.00 . A A . 9 SER O 1 1 15 4389 1 1 9 SER OG O -8.433 -2.385 -1.992 1.00 . A A . 9 SER OG 1 1 15 4390 1 1 10 TYR C C -13.343 -2.080 -2.609 1.00 . A A . 10 TYR C 1 1 15 4391 1 1 10 TYR CA C -12.849 -3.512 -2.822 1.00 . A A . 10 TYR CA 1 1 15 4392 1 1 10 TYR CB C -13.964 -4.534 -2.532 1.00 . A A . 10 TYR CB 1 1 15 4393 1 1 10 TYR CD1 C -15.052 -5.031 -4.757 1.00 . A A . 10 TYR CD1 1 1 15 4394 1 1 10 TYR CD2 C -16.311 -3.800 -3.149 1.00 . A A . 10 TYR CD2 1 1 15 4395 1 1 10 TYR CE1 C -16.106 -4.959 -5.645 1.00 . A A . 10 TYR CE1 1 1 15 4396 1 1 10 TYR CE2 C -17.370 -3.724 -4.033 1.00 . A A . 10 TYR CE2 1 1 15 4397 1 1 10 TYR CG C -15.133 -4.456 -3.496 1.00 . A A . 10 TYR CG 1 1 15 4398 1 1 10 TYR CZ C -17.262 -4.305 -5.279 1.00 . A A . 10 TYR CZ 1 1 15 4399 1 1 10 TYR H H -11.730 -3.252 -1.104 1.00 . A A . 10 TYR H 1 1 15 4400 1 1 10 TYR HA H -12.499 -3.624 -3.842 1.00 . A A . 10 TYR HA 1 1 15 4401 1 1 10 TYR HB2 H -13.554 -5.531 -2.592 1.00 . A A . 10 TYR HB2 1 1 15 4402 1 1 10 TYR HB3 H -14.342 -4.367 -1.534 1.00 . A A . 10 TYR HB3 1 1 15 4403 1 1 10 TYR HD1 H -14.144 -5.544 -5.042 1.00 . A A . 10 TYR HD1 1 1 15 4404 1 1 10 TYR HD2 H -16.392 -3.348 -2.173 1.00 . A A . 10 TYR HD2 1 1 15 4405 1 1 10 TYR HE1 H -16.023 -5.414 -6.622 1.00 . A A . 10 TYR HE1 1 1 15 4406 1 1 10 TYR HE2 H -18.276 -3.211 -3.747 1.00 . A A . 10 TYR HE2 1 1 15 4407 1 1 10 TYR HH H -18.467 -5.089 -6.560 1.00 . A A . 10 TYR HH 1 1 15 4408 1 1 10 TYR N N -11.718 -3.715 -1.968 1.00 . A A . 10 TYR N 1 1 15 4409 1 1 10 TYR O O -13.874 -1.765 -1.555 1.00 . A A . 10 TYR O 1 1 15 4410 1 1 10 TYR OH O -18.314 -4.229 -6.162 1.00 . A A . 10 TYR OH 1 1 15 4411 1 1 11 PRO C C -10.860 -1.701 -4.547 1.00 . A A . 11 PRO C 1 1 15 4412 1 1 11 PRO CA C -12.367 -1.506 -4.788 1.00 . A A . 11 PRO CA 1 1 15 4413 1 1 11 PRO CB C -12.602 -0.315 -5.708 1.00 . A A . 11 PRO CB 1 1 15 4414 1 1 11 PRO CD C -13.517 0.214 -3.558 1.00 . A A . 11 PRO CD 1 1 15 4415 1 1 11 PRO CG C -13.622 0.536 -5.021 1.00 . A A . 11 PRO CG 1 1 15 4416 1 1 11 PRO HA H -12.793 -2.389 -5.240 1.00 . A A . 11 PRO HA 1 1 15 4417 1 1 11 PRO HB2 H -11.657 0.185 -5.870 1.00 . A A . 11 PRO HB2 1 1 15 4418 1 1 11 PRO HB3 H -12.992 -0.714 -6.631 1.00 . A A . 11 PRO HB3 1 1 15 4419 1 1 11 PRO HD2 H -12.775 0.838 -3.082 1.00 . A A . 11 PRO HD2 1 1 15 4420 1 1 11 PRO HD3 H -14.475 0.324 -3.071 1.00 . A A . 11 PRO HD3 1 1 15 4421 1 1 11 PRO HG2 H -13.407 1.580 -5.201 1.00 . A A . 11 PRO HG2 1 1 15 4422 1 1 11 PRO HG3 H -14.613 0.289 -5.372 1.00 . A A . 11 PRO HG3 1 1 15 4423 1 1 11 PRO N N -13.097 -1.184 -3.574 1.00 . A A . 11 PRO N 1 1 15 4424 1 1 11 PRO O O -10.275 -1.105 -3.631 1.00 . A A . 11 PRO O 1 1 15 4425 1 1 12 PRO C C -7.992 -1.877 -6.048 1.00 . A A . 12 PRO C 1 1 15 4426 1 1 12 PRO CA C -8.827 -2.871 -5.225 1.00 . A A . 12 PRO CA 1 1 15 4427 1 1 12 PRO CB C -8.739 -4.280 -5.786 1.00 . A A . 12 PRO CB 1 1 15 4428 1 1 12 PRO CD C -10.906 -3.377 -6.359 1.00 . A A . 12 PRO CD 1 1 15 4429 1 1 12 PRO CG C -9.868 -4.396 -6.763 1.00 . A A . 12 PRO CG 1 1 15 4430 1 1 12 PRO HA H -8.489 -2.855 -4.198 1.00 . A A . 12 PRO HA 1 1 15 4431 1 1 12 PRO HB2 H -7.776 -4.401 -6.260 1.00 . A A . 12 PRO HB2 1 1 15 4432 1 1 12 PRO HB3 H -8.865 -5.006 -4.997 1.00 . A A . 12 PRO HB3 1 1 15 4433 1 1 12 PRO HD2 H -11.188 -2.735 -7.175 1.00 . A A . 12 PRO HD2 1 1 15 4434 1 1 12 PRO HD3 H -11.809 -3.819 -5.972 1.00 . A A . 12 PRO HD3 1 1 15 4435 1 1 12 PRO HG2 H -9.504 -4.193 -7.759 1.00 . A A . 12 PRO HG2 1 1 15 4436 1 1 12 PRO HG3 H -10.298 -5.386 -6.715 1.00 . A A . 12 PRO HG3 1 1 15 4437 1 1 12 PRO N N -10.248 -2.581 -5.318 1.00 . A A . 12 PRO N 1 1 15 4438 1 1 12 PRO O O -8.415 -1.432 -7.125 1.00 . A A . 12 PRO O 1 1 15 4439 1 1 13 LYS C C -4.539 -0.721 -5.916 1.00 . A A . 13 LYS C 1 1 15 4440 1 1 13 LYS CA C -6.029 -0.491 -6.173 1.00 . A A . 13 LYS CA 1 1 15 4441 1 1 13 LYS CB C -6.473 0.845 -5.553 1.00 . A A . 13 LYS CB 1 1 15 4442 1 1 13 LYS CD C -5.639 2.417 -7.377 1.00 . A A . 13 LYS CD 1 1 15 4443 1 1 13 LYS CE C -4.870 3.707 -7.664 1.00 . A A . 13 LYS CE 1 1 15 4444 1 1 13 LYS CG C -5.653 2.098 -5.892 1.00 . A A . 13 LYS CG 1 1 15 4445 1 1 13 LYS H H -6.460 -1.962 -4.747 1.00 . A A . 13 LYS H 1 1 15 4446 1 1 13 LYS HA H -6.251 -0.462 -7.227 1.00 . A A . 13 LYS HA 1 1 15 4447 1 1 13 LYS HB2 H -7.503 1.029 -5.820 1.00 . A A . 13 LYS HB2 1 1 15 4448 1 1 13 LYS HB3 H -6.415 0.658 -4.492 1.00 . A A . 13 LYS HB3 1 1 15 4449 1 1 13 LYS HD2 H -5.122 1.603 -7.860 1.00 . A A . 13 LYS HD2 1 1 15 4450 1 1 13 LYS HD3 H -6.650 2.499 -7.747 1.00 . A A . 13 LYS HD3 1 1 15 4451 1 1 13 LYS HE2 H -4.946 3.929 -8.719 1.00 . A A . 13 LYS HE2 1 1 15 4452 1 1 13 LYS HE3 H -5.321 4.510 -7.100 1.00 . A A . 13 LYS HE3 1 1 15 4453 1 1 13 LYS HG2 H -6.073 2.943 -5.366 1.00 . A A . 13 LYS HG2 1 1 15 4454 1 1 13 LYS HG3 H -4.638 1.943 -5.555 1.00 . A A . 13 LYS HG3 1 1 15 4455 1 1 13 LYS HZ1 H -2.898 2.979 -7.931 1.00 . A A . 13 LYS HZ1 1 1 15 4456 1 1 13 LYS HZ2 H -3.270 3.306 -6.323 1.00 . A A . 13 LYS HZ2 1 1 15 4457 1 1 13 LYS HZ3 H -2.956 4.527 -7.455 1.00 . A A . 13 LYS HZ3 1 1 15 4458 1 1 13 LYS N N -6.827 -1.522 -5.549 1.00 . A A . 13 LYS N 1 1 15 4459 1 1 13 LYS NZ N -3.436 3.607 -7.304 1.00 . A A . 13 LYS NZ 1 1 15 4460 1 1 13 LYS O O -4.164 -1.100 -4.823 1.00 . A A . 13 LYS O 1 1 15 4461 1 1 14 PRO C C -1.899 0.532 -5.621 1.00 . A A . 14 PRO C 1 1 15 4462 1 1 14 PRO CA C -2.221 -0.543 -6.685 1.00 . A A . 14 PRO CA 1 1 15 4463 1 1 14 PRO CB C -1.615 -0.171 -8.052 1.00 . A A . 14 PRO CB 1 1 15 4464 1 1 14 PRO CD C -3.951 -0.579 -8.373 1.00 . A A . 14 PRO CD 1 1 15 4465 1 1 14 PRO CG C -2.780 0.170 -8.931 1.00 . A A . 14 PRO CG 1 1 15 4466 1 1 14 PRO HA H -1.873 -1.505 -6.356 1.00 . A A . 14 PRO HA 1 1 15 4467 1 1 14 PRO HB2 H -0.942 0.665 -7.928 1.00 . A A . 14 PRO HB2 1 1 15 4468 1 1 14 PRO HB3 H -1.087 -1.015 -8.467 1.00 . A A . 14 PRO HB3 1 1 15 4469 1 1 14 PRO HD2 H -4.884 -0.097 -8.625 1.00 . A A . 14 PRO HD2 1 1 15 4470 1 1 14 PRO HD3 H -3.955 -1.588 -8.759 1.00 . A A . 14 PRO HD3 1 1 15 4471 1 1 14 PRO HG2 H -2.958 1.236 -8.905 1.00 . A A . 14 PRO HG2 1 1 15 4472 1 1 14 PRO HG3 H -2.593 -0.156 -9.944 1.00 . A A . 14 PRO HG3 1 1 15 4473 1 1 14 PRO N N -3.656 -0.579 -6.934 1.00 . A A . 14 PRO N 1 1 15 4474 1 1 14 PRO O O -2.594 1.565 -5.567 1.00 . A A . 14 PRO O 1 1 15 4475 1 1 15 CYS C C -0.392 2.604 -4.134 1.00 . A A . 15 CYS C 1 1 15 4476 1 1 15 CYS CA C -0.516 1.174 -3.687 1.00 . A A . 15 CYS CA 1 1 15 4477 1 1 15 CYS CB C 0.763 0.706 -2.967 1.00 . A A . 15 CYS CB 1 1 15 4478 1 1 15 CYS H H -0.256 -0.458 -4.913 1.00 . A A . 15 CYS H 1 1 15 4479 1 1 15 CYS HA H -1.337 1.119 -2.988 1.00 . A A . 15 CYS HA 1 1 15 4480 1 1 15 CYS HB2 H 0.973 1.380 -2.150 1.00 . A A . 15 CYS HB2 1 1 15 4481 1 1 15 CYS HB3 H 0.596 -0.285 -2.572 1.00 . A A . 15 CYS HB3 1 1 15 4482 1 1 15 CYS N N -0.856 0.303 -4.793 1.00 . A A . 15 CYS N 1 1 15 4483 1 1 15 CYS O O -0.114 2.899 -5.315 1.00 . A A . 15 CYS O 1 1 15 4484 1 1 15 CYS SG S 2.246 0.645 -4.023 1.00 . A A . 15 CYS SG 1 1 15 4485 1 1 16 PHE C C 0.689 5.584 -3.635 1.00 . A A . 16 PHE C 1 1 15 4486 1 1 16 PHE CA C -0.640 4.873 -3.502 1.00 . A A . 16 PHE CA 1 1 15 4487 1 1 16 PHE CB C -1.572 5.580 -2.509 1.00 . A A . 16 PHE CB 1 1 15 4488 1 1 16 PHE CD1 C -3.894 5.506 -3.463 1.00 . A A . 16 PHE CD1 1 1 15 4489 1 1 16 PHE CD2 C -3.392 4.087 -1.612 1.00 . A A . 16 PHE CD2 1 1 15 4490 1 1 16 PHE CE1 C -5.187 5.020 -3.488 1.00 . A A . 16 PHE CE1 1 1 15 4491 1 1 16 PHE CE2 C -4.683 3.599 -1.632 1.00 . A A . 16 PHE CE2 1 1 15 4492 1 1 16 PHE CG C -2.982 5.047 -2.527 1.00 . A A . 16 PHE CG 1 1 15 4493 1 1 16 PHE CZ C -5.582 4.065 -2.572 1.00 . A A . 16 PHE CZ 1 1 15 4494 1 1 16 PHE H H -0.522 3.094 -2.305 1.00 . A A . 16 PHE H 1 1 15 4495 1 1 16 PHE HA H -1.109 4.921 -4.475 1.00 . A A . 16 PHE HA 1 1 15 4496 1 1 16 PHE HB2 H -1.181 5.456 -1.510 1.00 . A A . 16 PHE HB2 1 1 15 4497 1 1 16 PHE HB3 H -1.608 6.632 -2.747 1.00 . A A . 16 PHE HB3 1 1 15 4498 1 1 16 PHE HD1 H -3.586 6.252 -4.181 1.00 . A A . 16 PHE HD1 1 1 15 4499 1 1 16 PHE HD2 H -2.690 3.722 -0.877 1.00 . A A . 16 PHE HD2 1 1 15 4500 1 1 16 PHE HE1 H -5.888 5.387 -4.223 1.00 . A A . 16 PHE HE1 1 1 15 4501 1 1 16 PHE HE2 H -4.990 2.852 -0.915 1.00 . A A . 16 PHE HE2 1 1 15 4502 1 1 16 PHE HZ H -6.593 3.683 -2.589 1.00 . A A . 16 PHE HZ 1 1 15 4503 1 1 16 PHE N N -0.512 3.464 -3.210 1.00 . A A . 16 PHE N 1 1 15 4504 1 1 16 PHE O O 1.096 6.369 -2.798 1.00 . A A . 16 PHE O 1 1 15 4505 1 1 17 VAL C C 2.308 6.167 -6.627 1.00 . A A . 17 VAL C 1 1 15 4506 1 1 17 VAL CA C 2.575 5.835 -5.163 1.00 . A A . 17 VAL CA 1 1 15 4507 1 1 17 VAL CB C 3.843 4.957 -5.019 1.00 . A A . 17 VAL CB 1 1 15 4508 1 1 17 VAL CG1 C 4.224 4.785 -3.554 1.00 . A A . 17 VAL CG1 1 1 15 4509 1 1 17 VAL CG2 C 3.619 3.597 -5.658 1.00 . A A . 17 VAL CG2 1 1 15 4510 1 1 17 VAL H H 1.106 4.346 -5.103 1.00 . A A . 17 VAL H 1 1 15 4511 1 1 17 VAL HA H 2.673 6.759 -4.621 1.00 . A A . 17 VAL HA 1 1 15 4512 1 1 17 VAL HB H 4.649 5.448 -5.540 1.00 . A A . 17 VAL HB 1 1 15 4513 1 1 17 VAL HG11 H 3.407 4.318 -3.023 1.00 . A A . 17 VAL HG11 1 1 15 4514 1 1 17 VAL HG12 H 4.433 5.751 -3.119 1.00 . A A . 17 VAL HG12 1 1 15 4515 1 1 17 VAL HG13 H 5.102 4.160 -3.482 1.00 . A A . 17 VAL HG13 1 1 15 4516 1 1 17 VAL HG21 H 3.433 3.717 -6.716 1.00 . A A . 17 VAL HG21 1 1 15 4517 1 1 17 VAL HG22 H 2.766 3.123 -5.196 1.00 . A A . 17 VAL HG22 1 1 15 4518 1 1 17 VAL HG23 H 4.488 2.975 -5.508 1.00 . A A . 17 VAL HG23 1 1 15 4519 1 1 17 VAL N N 1.387 5.177 -4.662 1.00 . A A . 17 VAL N 1 1 15 4520 1 1 17 VAL O O 3.148 6.714 -7.346 1.00 . A A . 17 VAL O 1 1 15 4521 1 1 18 ARG C C -0.876 5.077 -8.232 1.00 . A A . 18 ARG C 1 1 15 4522 1 1 18 ARG CA C 0.410 5.912 -8.256 1.00 . A A . 18 ARG CA 1 1 15 4523 1 1 18 ARG CB C 1.277 5.780 -9.578 1.00 . A A . 18 ARG CB 1 1 15 4524 1 1 18 ARG CD C 1.876 3.241 -9.954 1.00 . A A . 18 ARG CD 1 1 15 4525 1 1 18 ARG CG C 2.373 4.673 -9.731 1.00 . A A . 18 ARG CG 1 1 15 4526 1 1 18 ARG CZ C 1.938 1.605 -8.100 1.00 . A A . 18 ARG CZ 1 1 15 4527 1 1 18 ARG H H 0.590 5.359 -6.275 1.00 . A A . 18 ARG H 1 1 15 4528 1 1 18 ARG HA H 0.029 6.924 -8.178 1.00 . A A . 18 ARG HA 1 1 15 4529 1 1 18 ARG HB2 H 0.605 5.661 -10.413 1.00 . A A . 18 ARG HB2 1 1 15 4530 1 1 18 ARG HB3 H 1.761 6.740 -9.684 1.00 . A A . 18 ARG HB3 1 1 15 4531 1 1 18 ARG HD2 H 1.073 3.267 -10.677 1.00 . A A . 18 ARG HD2 1 1 15 4532 1 1 18 ARG HD3 H 2.688 2.650 -10.350 1.00 . A A . 18 ARG HD3 1 1 15 4533 1 1 18 ARG HE H 0.558 3.080 -8.413 1.00 . A A . 18 ARG HE 1 1 15 4534 1 1 18 ARG HG2 H 2.999 4.929 -10.572 1.00 . A A . 18 ARG HG2 1 1 15 4535 1 1 18 ARG HG3 H 2.984 4.696 -8.840 1.00 . A A . 18 ARG HG3 1 1 15 4536 1 1 18 ARG HH11 H 3.381 1.232 -9.497 1.00 . A A . 18 ARG HH11 1 1 15 4537 1 1 18 ARG HH12 H 3.458 0.221 -8.123 1.00 . A A . 18 ARG HH12 1 1 15 4538 1 1 18 ARG HH21 H 0.635 1.697 -6.565 1.00 . A A . 18 ARG HH21 1 1 15 4539 1 1 18 ARG HH22 H 1.813 0.463 -6.403 1.00 . A A . 18 ARG HH22 1 1 15 4540 1 1 18 ARG N N 1.103 5.771 -6.994 1.00 . A A . 18 ARG N 1 1 15 4541 1 1 18 ARG NE N 1.382 2.625 -8.742 1.00 . A A . 18 ARG NE 1 1 15 4542 1 1 18 ARG NH1 N 2.993 0.968 -8.615 1.00 . A A . 18 ARG NH1 1 1 15 4543 1 1 18 ARG NH2 N 1.431 1.216 -6.948 1.00 . A A . 18 ARG NH2 1 1 15 4544 1 1 18 ARG O O -1.946 5.634 -8.009 1.00 . A A . 18 ARG O 1 1 15 4545 1 1 18 ARG OXT O -0.811 3.836 -8.280 1.00 . A A . 18 ARG OXT 1 1 16 4546 1 1 1 LEU C C 11.008 1.412 -3.538 1.00 . A A . 1 LEU C 1 1 16 4547 1 1 1 LEU CA C 10.724 2.716 -2.832 1.00 . A A . 1 LEU CA 1 1 16 4548 1 1 1 LEU CB C 12.045 3.331 -2.292 1.00 . A A . 1 LEU CB 1 1 16 4549 1 1 1 LEU CD1 C 11.224 4.930 -0.461 1.00 . A A . 1 LEU CD1 1 1 16 4550 1 1 1 LEU CD2 C 13.432 5.314 -1.575 1.00 . A A . 1 LEU CD2 1 1 16 4551 1 1 1 LEU CG C 12.016 4.789 -1.757 1.00 . A A . 1 LEU CG 1 1 16 4552 1 1 1 LEU H1 H 10.091 1.787 -1.101 1.00 . A A . 1 LEU H1 1 1 16 4553 1 1 1 LEU HA H 10.277 3.392 -3.548 1.00 . A A . 1 LEU HA 1 1 16 4554 1 1 1 LEU HB2 H 12.393 2.700 -1.489 1.00 . A A . 1 LEU HB2 1 1 16 4555 1 1 1 LEU HB3 H 12.774 3.282 -3.087 1.00 . A A . 1 LEU HB3 1 1 16 4556 1 1 1 LEU HD11 H 11.634 4.269 0.288 1.00 . A A . 1 LEU HD11 1 1 16 4557 1 1 1 LEU HD12 H 10.184 4.698 -0.631 1.00 . A A . 1 LEU HD12 1 1 16 4558 1 1 1 LEU HD13 H 11.302 5.949 -0.111 1.00 . A A . 1 LEU HD13 1 1 16 4559 1 1 1 LEU HD21 H 13.395 6.327 -1.201 1.00 . A A . 1 LEU HD21 1 1 16 4560 1 1 1 LEU HD22 H 13.948 5.300 -2.523 1.00 . A A . 1 LEU HD22 1 1 16 4561 1 1 1 LEU HD23 H 13.959 4.689 -0.869 1.00 . A A . 1 LEU HD23 1 1 16 4562 1 1 1 LEU HG H 11.531 5.411 -2.496 1.00 . A A . 1 LEU HG 1 1 16 4563 1 1 1 LEU N N 9.740 2.482 -1.783 1.00 . A A . 1 LEU N 1 1 16 4564 1 1 1 LEU O O 11.764 0.579 -3.034 1.00 . A A . 1 LEU O 1 1 16 4565 1 1 2 VAL C C 9.979 -1.218 -4.793 1.00 . A A . 2 VAL C 1 1 16 4566 1 1 2 VAL CA C 10.446 0.060 -5.511 1.00 . A A . 2 VAL CA 1 1 16 4567 1 1 2 VAL CB C 11.870 -0.106 -6.137 1.00 . A A . 2 VAL CB 1 1 16 4568 1 1 2 VAL CG1 C 11.886 -1.229 -7.163 1.00 . A A . 2 VAL CG1 1 1 16 4569 1 1 2 VAL CG2 C 12.337 1.198 -6.784 1.00 . A A . 2 VAL CG2 1 1 16 4570 1 1 2 VAL H H 9.641 1.882 -4.896 1.00 . A A . 2 VAL H 1 1 16 4571 1 1 2 VAL HA H 9.735 0.229 -6.310 1.00 . A A . 2 VAL HA 1 1 16 4572 1 1 2 VAL HB H 12.552 -0.355 -5.338 1.00 . A A . 2 VAL HB 1 1 16 4573 1 1 2 VAL HG11 H 11.612 -2.155 -6.679 1.00 . A A . 2 VAL HG11 1 1 16 4574 1 1 2 VAL HG12 H 12.870 -1.314 -7.599 1.00 . A A . 2 VAL HG12 1 1 16 4575 1 1 2 VAL HG13 H 11.162 -0.998 -7.931 1.00 . A A . 2 VAL HG13 1 1 16 4576 1 1 2 VAL HG21 H 13.322 1.060 -7.204 1.00 . A A . 2 VAL HG21 1 1 16 4577 1 1 2 VAL HG22 H 12.370 1.977 -6.036 1.00 . A A . 2 VAL HG22 1 1 16 4578 1 1 2 VAL HG23 H 11.648 1.478 -7.566 1.00 . A A . 2 VAL HG23 1 1 16 4579 1 1 2 VAL N N 10.323 1.217 -4.650 1.00 . A A . 2 VAL N 1 1 16 4580 1 1 2 VAL O O 10.776 -2.093 -4.424 1.00 . A A . 2 VAL O 1 1 16 4581 1 1 3 ARG C C 6.728 -2.570 -4.640 1.00 . A A . 3 ARG C 1 1 16 4582 1 1 3 ARG CA C 8.014 -2.369 -3.889 1.00 . A A . 3 ARG CA 1 1 16 4583 1 1 3 ARG CB C 7.691 -2.201 -2.372 1.00 . A A . 3 ARG CB 1 1 16 4584 1 1 3 ARG CD C 10.016 -1.713 -1.488 1.00 . A A . 3 ARG CD 1 1 16 4585 1 1 3 ARG CG C 8.801 -2.600 -1.393 1.00 . A A . 3 ARG CG 1 1 16 4586 1 1 3 ARG CZ C 12.395 -2.386 -1.101 1.00 . A A . 3 ARG CZ 1 1 16 4587 1 1 3 ARG H H 8.165 -0.423 -4.617 1.00 . A A . 3 ARG H 1 1 16 4588 1 1 3 ARG HA H 8.639 -3.238 -4.031 1.00 . A A . 3 ARG HA 1 1 16 4589 1 1 3 ARG HB2 H 7.457 -1.163 -2.190 1.00 . A A . 3 ARG HB2 1 1 16 4590 1 1 3 ARG HB3 H 6.813 -2.790 -2.149 1.00 . A A . 3 ARG HB3 1 1 16 4591 1 1 3 ARG HD2 H 10.331 -1.672 -2.520 1.00 . A A . 3 ARG HD2 1 1 16 4592 1 1 3 ARG HD3 H 9.746 -0.721 -1.161 1.00 . A A . 3 ARG HD3 1 1 16 4593 1 1 3 ARG HE H 10.885 -2.366 0.281 1.00 . A A . 3 ARG HE 1 1 16 4594 1 1 3 ARG HG2 H 8.415 -2.542 -0.385 1.00 . A A . 3 ARG HG2 1 1 16 4595 1 1 3 ARG HG3 H 9.091 -3.621 -1.599 1.00 . A A . 3 ARG HG3 1 1 16 4596 1 1 3 ARG HH11 H 11.978 -1.995 -3.077 1.00 . A A . 3 ARG HH11 1 1 16 4597 1 1 3 ARG HH12 H 13.601 -2.356 -2.784 1.00 . A A . 3 ARG HH12 1 1 16 4598 1 1 3 ARG HH21 H 13.176 -2.908 0.727 1.00 . A A . 3 ARG HH21 1 1 16 4599 1 1 3 ARG HH22 H 14.300 -2.902 -0.547 1.00 . A A . 3 ARG HH22 1 1 16 4600 1 1 3 ARG N N 8.705 -1.228 -4.467 1.00 . A A . 3 ARG N 1 1 16 4601 1 1 3 ARG NE N 11.130 -2.202 -0.655 1.00 . A A . 3 ARG NE 1 1 16 4602 1 1 3 ARG NH1 N 12.685 -2.240 -2.398 1.00 . A A . 3 ARG NH1 1 1 16 4603 1 1 3 ARG NH2 N 13.355 -2.758 -0.246 1.00 . A A . 3 ARG NH2 1 1 16 4604 1 1 3 ARG O O 6.095 -1.598 -5.064 1.00 . A A . 3 ARG O 1 1 16 4605 1 1 4 GLY C C 3.967 -4.059 -4.544 1.00 . A A . 4 GLY C 1 1 16 4606 1 1 4 GLY CA C 5.122 -4.094 -5.504 1.00 . A A . 4 GLY CA 1 1 16 4607 1 1 4 GLY H H 6.897 -4.539 -4.486 1.00 . A A . 4 GLY H 1 1 16 4608 1 1 4 GLY HA2 H 4.966 -3.361 -6.281 1.00 . A A . 4 GLY HA2 1 1 16 4609 1 1 4 GLY HA3 H 5.181 -5.078 -5.945 1.00 . A A . 4 GLY HA3 1 1 16 4610 1 1 4 GLY N N 6.350 -3.803 -4.825 1.00 . A A . 4 GLY N 1 1 16 4611 1 1 4 GLY O O 3.618 -5.071 -3.950 1.00 . A A . 4 GLY O 1 1 16 4612 1 1 5 CYS C C 1.056 -2.542 -4.208 1.00 . A A . 5 CYS C 1 1 16 4613 1 1 5 CYS CA C 2.288 -2.781 -3.460 1.00 . A A . 5 CYS CA 1 1 16 4614 1 1 5 CYS CB C 2.482 -1.666 -2.455 1.00 . A A . 5 CYS CB 1 1 16 4615 1 1 5 CYS H H 3.718 -2.119 -4.852 1.00 . A A . 5 CYS H 1 1 16 4616 1 1 5 CYS HA H 2.109 -3.696 -2.921 1.00 . A A . 5 CYS HA 1 1 16 4617 1 1 5 CYS HB2 H 3.501 -1.648 -2.136 1.00 . A A . 5 CYS HB2 1 1 16 4618 1 1 5 CYS HB3 H 2.327 -0.724 -2.951 1.00 . A A . 5 CYS HB3 1 1 16 4619 1 1 5 CYS N N 3.388 -2.904 -4.367 1.00 . A A . 5 CYS N 1 1 16 4620 1 1 5 CYS O O 0.914 -1.551 -4.946 1.00 . A A . 5 CYS O 1 1 16 4621 1 1 5 CYS SG S 1.341 -1.764 -1.007 1.00 . A A . 5 CYS SG 1 1 16 4622 1 1 6 TRP C C -2.117 -3.772 -3.570 1.00 . A A . 6 TRP C 1 1 16 4623 1 1 6 TRP CA C -1.093 -3.346 -4.606 1.00 . A A . 6 TRP CA 1 1 16 4624 1 1 6 TRP CB C -1.098 -4.132 -5.934 1.00 . A A . 6 TRP CB 1 1 16 4625 1 1 6 TRP CD1 C -2.064 -6.467 -5.697 1.00 . A A . 6 TRP CD1 1 1 16 4626 1 1 6 TRP CD2 C -3.395 -5.014 -6.739 1.00 . A A . 6 TRP CD2 1 1 16 4627 1 1 6 TRP CE2 C -4.051 -6.251 -6.697 1.00 . A A . 6 TRP CE2 1 1 16 4628 1 1 6 TRP CE3 C -4.020 -3.937 -7.343 1.00 . A A . 6 TRP CE3 1 1 16 4629 1 1 6 TRP CG C -2.142 -5.173 -6.098 1.00 . A A . 6 TRP CG 1 1 16 4630 1 1 6 TRP CH2 C -5.909 -5.347 -7.838 1.00 . A A . 6 TRP CH2 1 1 16 4631 1 1 6 TRP CZ2 C -5.318 -6.435 -7.247 1.00 . A A . 6 TRP CZ2 1 1 16 4632 1 1 6 TRP CZ3 C -5.263 -4.103 -7.886 1.00 . A A . 6 TRP CZ3 1 1 16 4633 1 1 6 TRP H H 0.365 -4.204 -3.465 1.00 . A A . 6 TRP H 1 1 16 4634 1 1 6 TRP HA H -1.241 -2.298 -4.807 1.00 . A A . 6 TRP HA 1 1 16 4635 1 1 6 TRP HB2 H -1.219 -3.432 -6.747 1.00 . A A . 6 TRP HB2 1 1 16 4636 1 1 6 TRP HB3 H -0.132 -4.605 -6.043 1.00 . A A . 6 TRP HB3 1 1 16 4637 1 1 6 TRP HD1 H -1.200 -6.854 -5.172 1.00 . A A . 6 TRP HD1 1 1 16 4638 1 1 6 TRP HE1 H -3.416 -8.078 -5.882 1.00 . A A . 6 TRP HE1 1 1 16 4639 1 1 6 TRP HE3 H -3.536 -2.972 -7.387 1.00 . A A . 6 TRP HE3 1 1 16 4640 1 1 6 TRP HH2 H -6.889 -5.437 -8.283 1.00 . A A . 6 TRP HH2 1 1 16 4641 1 1 6 TRP HZ2 H -5.825 -7.388 -7.215 1.00 . A A . 6 TRP HZ2 1 1 16 4642 1 1 6 TRP HZ3 H -5.736 -3.245 -8.345 1.00 . A A . 6 TRP HZ3 1 1 16 4643 1 1 6 TRP N N 0.162 -3.430 -4.030 1.00 . A A . 6 TRP N 1 1 16 4644 1 1 6 TRP NE1 N -3.218 -7.132 -6.049 1.00 . A A . 6 TRP NE1 1 1 16 4645 1 1 6 TRP O O -2.001 -4.865 -2.939 1.00 . A A . 6 TRP O 1 1 16 4646 1 1 7 THR C C -5.255 -3.795 -2.881 1.00 . A A . 7 THR C 1 1 16 4647 1 1 7 THR CA C -4.000 -3.188 -2.317 1.00 . A A . 7 THR CA 1 1 16 4648 1 1 7 THR CB C -4.244 -2.020 -1.312 1.00 . A A . 7 THR CB 1 1 16 4649 1 1 7 THR CG2 C -4.460 -0.699 -2.006 1.00 . A A . 7 THR CG2 1 1 16 4650 1 1 7 THR H H -3.162 -2.082 -3.821 1.00 . A A . 7 THR H 1 1 16 4651 1 1 7 THR HA H -3.539 -3.995 -1.763 1.00 . A A . 7 THR HA 1 1 16 4652 1 1 7 THR HB H -3.351 -1.954 -0.707 1.00 . A A . 7 THR HB 1 1 16 4653 1 1 7 THR HG1 H -6.176 -2.166 -0.833 1.00 . A A . 7 THR HG1 1 1 16 4654 1 1 7 THR HG21 H -3.541 -0.447 -2.519 1.00 . A A . 7 THR HG21 1 1 16 4655 1 1 7 THR HG22 H -4.696 0.068 -1.283 1.00 . A A . 7 THR HG22 1 1 16 4656 1 1 7 THR HG23 H -5.257 -0.821 -2.723 1.00 . A A . 7 THR HG23 1 1 16 4657 1 1 7 THR N N -3.056 -2.913 -3.311 1.00 . A A . 7 THR N 1 1 16 4658 1 1 7 THR O O -6.104 -3.152 -3.502 1.00 . A A . 7 THR O 1 1 16 4659 1 1 7 THR OG1 O -5.317 -2.320 -0.414 1.00 . A A . 7 THR OG1 1 1 16 4660 1 1 8 LYS C C -7.377 -5.803 -1.943 1.00 . A A . 8 LYS C 1 1 16 4661 1 1 8 LYS CA C -6.357 -5.914 -3.059 1.00 . A A . 8 LYS CA 1 1 16 4662 1 1 8 LYS CB C -5.858 -7.374 -3.301 1.00 . A A . 8 LYS CB 1 1 16 4663 1 1 8 LYS CD C -4.536 -7.753 -1.108 1.00 . A A . 8 LYS CD 1 1 16 4664 1 1 8 LYS CE C -3.139 -7.828 -0.497 1.00 . A A . 8 LYS CE 1 1 16 4665 1 1 8 LYS CG C -4.493 -7.732 -2.638 1.00 . A A . 8 LYS CG 1 1 16 4666 1 1 8 LYS H H -4.433 -5.440 -2.400 1.00 . A A . 8 LYS H 1 1 16 4667 1 1 8 LYS HA H -6.805 -5.538 -3.967 1.00 . A A . 8 LYS HA 1 1 16 4668 1 1 8 LYS HB2 H -6.601 -8.056 -2.917 1.00 . A A . 8 LYS HB2 1 1 16 4669 1 1 8 LYS HB3 H -5.765 -7.531 -4.366 1.00 . A A . 8 LYS HB3 1 1 16 4670 1 1 8 LYS HD2 H -5.020 -6.851 -0.763 1.00 . A A . 8 LYS HD2 1 1 16 4671 1 1 8 LYS HD3 H -5.109 -8.611 -0.788 1.00 . A A . 8 LYS HD3 1 1 16 4672 1 1 8 LYS HE2 H -3.233 -7.993 0.566 1.00 . A A . 8 LYS HE2 1 1 16 4673 1 1 8 LYS HE3 H -2.611 -8.659 -0.943 1.00 . A A . 8 LYS HE3 1 1 16 4674 1 1 8 LYS HG2 H -4.196 -8.713 -2.976 1.00 . A A . 8 LYS HG2 1 1 16 4675 1 1 8 LYS HG3 H -3.752 -7.017 -2.963 1.00 . A A . 8 LYS HG3 1 1 16 4676 1 1 8 LYS HZ1 H -2.803 -5.772 -0.235 1.00 . A A . 8 LYS HZ1 1 1 16 4677 1 1 8 LYS HZ2 H -2.243 -6.327 -1.730 1.00 . A A . 8 LYS HZ2 1 1 16 4678 1 1 8 LYS HZ3 H -1.392 -6.674 -0.326 1.00 . A A . 8 LYS HZ3 1 1 16 4679 1 1 8 LYS N N -5.260 -5.070 -2.748 1.00 . A A . 8 LYS N 1 1 16 4680 1 1 8 LYS NZ N -2.348 -6.572 -0.721 1.00 . A A . 8 LYS NZ 1 1 16 4681 1 1 8 LYS O O -7.185 -6.308 -0.842 1.00 . A A . 8 LYS O 1 1 16 4682 1 1 9 SER C C -10.656 -4.421 -2.138 1.00 . A A . 9 SER C 1 1 16 4683 1 1 9 SER CA C -9.437 -4.769 -1.315 1.00 . A A . 9 SER CA 1 1 16 4684 1 1 9 SER CB C -8.945 -3.570 -0.464 1.00 . A A . 9 SER CB 1 1 16 4685 1 1 9 SER H H -8.518 -4.746 -3.142 1.00 . A A . 9 SER H 1 1 16 4686 1 1 9 SER HA H -9.637 -5.614 -0.674 1.00 . A A . 9 SER HA 1 1 16 4687 1 1 9 SER HB2 H -9.786 -3.121 0.042 1.00 . A A . 9 SER HB2 1 1 16 4688 1 1 9 SER HB3 H -8.233 -3.922 0.268 1.00 . A A . 9 SER HB3 1 1 16 4689 1 1 9 SER HG H -8.897 -2.234 -1.970 1.00 . A A . 9 SER HG 1 1 16 4690 1 1 9 SER N N -8.405 -5.099 -2.236 1.00 . A A . 9 SER N 1 1 16 4691 1 1 9 SER O O -10.782 -4.896 -3.261 1.00 . A A . 9 SER O 1 1 16 4692 1 1 9 SER OG O -8.311 -2.566 -1.277 1.00 . A A . 9 SER OG 1 1 16 4693 1 1 10 TYR C C -12.720 -1.653 -2.188 1.00 . A A . 10 TYR C 1 1 16 4694 1 1 10 TYR CA C -12.646 -3.179 -2.339 1.00 . A A . 10 TYR CA 1 1 16 4695 1 1 10 TYR CB C -13.939 -3.880 -1.890 1.00 . A A . 10 TYR CB 1 1 16 4696 1 1 10 TYR CD1 C -13.617 -5.004 0.372 1.00 . A A . 10 TYR CD1 1 1 16 4697 1 1 10 TYR CD2 C -14.994 -3.059 0.278 1.00 . A A . 10 TYR CD2 1 1 16 4698 1 1 10 TYR CE1 C -13.847 -5.105 1.731 1.00 . A A . 10 TYR CE1 1 1 16 4699 1 1 10 TYR CE2 C -15.226 -3.153 1.637 1.00 . A A . 10 TYR CE2 1 1 16 4700 1 1 10 TYR CG C -14.183 -3.978 -0.381 1.00 . A A . 10 TYR CG 1 1 16 4701 1 1 10 TYR CZ C -14.651 -4.177 2.357 1.00 . A A . 10 TYR CZ 1 1 16 4702 1 1 10 TYR H H -11.562 -3.343 -0.680 1.00 . A A . 10 TYR H 1 1 16 4703 1 1 10 TYR HA H -12.452 -3.421 -3.377 1.00 . A A . 10 TYR HA 1 1 16 4704 1 1 10 TYR HB2 H -14.709 -3.223 -2.247 1.00 . A A . 10 TYR HB2 1 1 16 4705 1 1 10 TYR HB3 H -14.028 -4.857 -2.340 1.00 . A A . 10 TYR HB3 1 1 16 4706 1 1 10 TYR HD1 H -12.984 -5.728 -0.120 1.00 . A A . 10 TYR HD1 1 1 16 4707 1 1 10 TYR HD2 H -15.444 -2.256 -0.288 1.00 . A A . 10 TYR HD2 1 1 16 4708 1 1 10 TYR HE1 H -13.399 -5.908 2.296 1.00 . A A . 10 TYR HE1 1 1 16 4709 1 1 10 TYR HE2 H -15.855 -2.426 2.129 1.00 . A A . 10 TYR HE2 1 1 16 4710 1 1 10 TYR HH H -14.064 -4.446 4.179 1.00 . A A . 10 TYR HH 1 1 16 4711 1 1 10 TYR N N -11.554 -3.648 -1.608 1.00 . A A . 10 TYR N 1 1 16 4712 1 1 10 TYR O O -12.988 -1.151 -1.107 1.00 . A A . 10 TYR O 1 1 16 4713 1 1 10 TYR OH O -14.884 -4.277 3.709 1.00 . A A . 10 TYR OH 1 1 16 4714 1 1 11 PRO C C -10.471 -1.889 -4.507 1.00 . A A . 11 PRO C 1 1 16 4715 1 1 11 PRO CA C -11.946 -1.451 -4.516 1.00 . A A . 11 PRO CA 1 1 16 4716 1 1 11 PRO CB C -12.136 -0.302 -5.508 1.00 . A A . 11 PRO CB 1 1 16 4717 1 1 11 PRO CD C -12.467 0.553 -3.302 1.00 . A A . 11 PRO CD 1 1 16 4718 1 1 11 PRO CG C -12.811 0.791 -4.743 1.00 . A A . 11 PRO CG 1 1 16 4719 1 1 11 PRO HA H -12.579 -2.271 -4.818 1.00 . A A . 11 PRO HA 1 1 16 4720 1 1 11 PRO HB2 H -11.170 -0.014 -5.899 1.00 . A A . 11 PRO HB2 1 1 16 4721 1 1 11 PRO HB3 H -12.776 -0.686 -6.288 1.00 . A A . 11 PRO HB3 1 1 16 4722 1 1 11 PRO HD2 H -11.515 0.999 -3.057 1.00 . A A . 11 PRO HD2 1 1 16 4723 1 1 11 PRO HD3 H -13.245 0.926 -2.652 1.00 . A A . 11 PRO HD3 1 1 16 4724 1 1 11 PRO HG2 H -12.442 1.751 -5.074 1.00 . A A . 11 PRO HG2 1 1 16 4725 1 1 11 PRO HG3 H -13.881 0.730 -4.872 1.00 . A A . 11 PRO HG3 1 1 16 4726 1 1 11 PRO N N -12.397 -0.902 -3.247 1.00 . A A . 11 PRO N 1 1 16 4727 1 1 11 PRO O O -9.658 -1.404 -3.708 1.00 . A A . 11 PRO O 1 1 16 4728 1 1 12 PRO C C -8.004 -2.466 -6.503 1.00 . A A . 12 PRO C 1 1 16 4729 1 1 12 PRO CA C -8.780 -3.342 -5.513 1.00 . A A . 12 PRO CA 1 1 16 4730 1 1 12 PRO CB C -8.979 -4.761 -6.060 1.00 . A A . 12 PRO CB 1 1 16 4731 1 1 12 PRO CD C -11.098 -3.587 -6.190 1.00 . A A . 12 PRO CD 1 1 16 4732 1 1 12 PRO CG C -10.304 -4.739 -6.765 1.00 . A A . 12 PRO CG 1 1 16 4733 1 1 12 PRO HA H -8.254 -3.372 -4.571 1.00 . A A . 12 PRO HA 1 1 16 4734 1 1 12 PRO HB2 H -8.171 -5.001 -6.735 1.00 . A A . 12 PRO HB2 1 1 16 4735 1 1 12 PRO HB3 H -9.017 -5.472 -5.248 1.00 . A A . 12 PRO HB3 1 1 16 4736 1 1 12 PRO HD2 H -11.498 -2.924 -6.937 1.00 . A A . 12 PRO HD2 1 1 16 4737 1 1 12 PRO HD3 H -11.933 -3.911 -5.591 1.00 . A A . 12 PRO HD3 1 1 16 4738 1 1 12 PRO HG2 H -10.145 -4.596 -7.825 1.00 . A A . 12 PRO HG2 1 1 16 4739 1 1 12 PRO HG3 H -10.833 -5.664 -6.588 1.00 . A A . 12 PRO HG3 1 1 16 4740 1 1 12 PRO N N -10.141 -2.859 -5.347 1.00 . A A . 12 PRO N 1 1 16 4741 1 1 12 PRO O O -8.323 -2.415 -7.693 1.00 . A A . 12 PRO O 1 1 16 4742 1 1 13 LYS C C -4.834 -0.753 -6.214 1.00 . A A . 13 LYS C 1 1 16 4743 1 1 13 LYS CA C -6.267 -0.838 -6.812 1.00 . A A . 13 LYS CA 1 1 16 4744 1 1 13 LYS CB C -7.057 0.507 -6.778 1.00 . A A . 13 LYS CB 1 1 16 4745 1 1 13 LYS CD C -5.367 2.329 -7.270 1.00 . A A . 13 LYS CD 1 1 16 4746 1 1 13 LYS CE C -5.598 3.101 -5.973 1.00 . A A . 13 LYS CE 1 1 16 4747 1 1 13 LYS CG C -6.623 1.624 -7.728 1.00 . A A . 13 LYS CG 1 1 16 4748 1 1 13 LYS H H -6.771 -1.861 -5.061 1.00 . A A . 13 LYS H 1 1 16 4749 1 1 13 LYS HA H -6.227 -1.213 -7.824 1.00 . A A . 13 LYS HA 1 1 16 4750 1 1 13 LYS HB2 H -8.089 0.282 -7.007 1.00 . A A . 13 LYS HB2 1 1 16 4751 1 1 13 LYS HB3 H -7.018 0.871 -5.763 1.00 . A A . 13 LYS HB3 1 1 16 4752 1 1 13 LYS HD2 H -4.635 1.551 -7.104 1.00 . A A . 13 LYS HD2 1 1 16 4753 1 1 13 LYS HD3 H -5.026 2.999 -8.045 1.00 . A A . 13 LYS HD3 1 1 16 4754 1 1 13 LYS HE2 H -6.343 3.863 -6.144 1.00 . A A . 13 LYS HE2 1 1 16 4755 1 1 13 LYS HE3 H -5.949 2.425 -5.208 1.00 . A A . 13 LYS HE3 1 1 16 4756 1 1 13 LYS HG2 H -6.457 1.211 -8.711 1.00 . A A . 13 LYS HG2 1 1 16 4757 1 1 13 LYS HG3 H -7.432 2.335 -7.772 1.00 . A A . 13 LYS HG3 1 1 16 4758 1 1 13 LYS HZ1 H -4.529 4.224 -4.590 1.00 . A A . 13 LYS HZ1 1 1 16 4759 1 1 13 LYS HZ2 H -4.003 4.422 -6.202 1.00 . A A . 13 LYS HZ2 1 1 16 4760 1 1 13 LYS HZ3 H -3.649 2.993 -5.362 1.00 . A A . 13 LYS HZ3 1 1 16 4761 1 1 13 LYS N N -7.022 -1.760 -6.006 1.00 . A A . 13 LYS N 1 1 16 4762 1 1 13 LYS NZ N -4.359 3.747 -5.498 1.00 . A A . 13 LYS NZ 1 1 16 4763 1 1 13 LYS O O -4.688 -0.877 -5.015 1.00 . A A . 13 LYS O 1 1 16 4764 1 1 14 PRO C C -2.143 0.504 -5.398 1.00 . A A . 14 PRO C 1 1 16 4765 1 1 14 PRO CA C -2.348 -0.527 -6.549 1.00 . A A . 14 PRO CA 1 1 16 4766 1 1 14 PRO CB C -1.538 -0.124 -7.796 1.00 . A A . 14 PRO CB 1 1 16 4767 1 1 14 PRO CD C -3.790 -0.536 -8.513 1.00 . A A . 14 PRO CD 1 1 16 4768 1 1 14 PRO CG C -2.551 0.248 -8.834 1.00 . A A . 14 PRO CG 1 1 16 4769 1 1 14 PRO HA H -2.045 -1.509 -6.225 1.00 . A A . 14 PRO HA 1 1 16 4770 1 1 14 PRO HB2 H -0.887 0.701 -7.549 1.00 . A A . 14 PRO HB2 1 1 16 4771 1 1 14 PRO HB3 H -0.958 -0.963 -8.147 1.00 . A A . 14 PRO HB3 1 1 16 4772 1 1 14 PRO HD2 H -4.668 -0.012 -8.861 1.00 . A A . 14 PRO HD2 1 1 16 4773 1 1 14 PRO HD3 H -3.740 -1.524 -8.946 1.00 . A A . 14 PRO HD3 1 1 16 4774 1 1 14 PRO HG2 H -2.749 1.309 -8.783 1.00 . A A . 14 PRO HG2 1 1 16 4775 1 1 14 PRO HG3 H -2.197 -0.024 -9.816 1.00 . A A . 14 PRO HG3 1 1 16 4776 1 1 14 PRO N N -3.751 -0.600 -7.044 1.00 . A A . 14 PRO N 1 1 16 4777 1 1 14 PRO O O -2.876 1.514 -5.318 1.00 . A A . 14 PRO O 1 1 16 4778 1 1 15 CYS C C -0.469 2.519 -3.789 1.00 . A A . 15 CYS C 1 1 16 4779 1 1 15 CYS CA C -0.931 1.123 -3.389 1.00 . A A . 15 CYS CA 1 1 16 4780 1 1 15 CYS CB C 0.095 0.469 -2.507 1.00 . A A . 15 CYS CB 1 1 16 4781 1 1 15 CYS H H -0.442 -0.415 -4.588 1.00 . A A . 15 CYS H 1 1 16 4782 1 1 15 CYS HA H -1.853 1.194 -2.832 1.00 . A A . 15 CYS HA 1 1 16 4783 1 1 15 CYS HB2 H 0.794 0.141 -3.255 1.00 . A A . 15 CYS HB2 1 1 16 4784 1 1 15 CYS HB3 H 0.611 1.094 -1.800 1.00 . A A . 15 CYS HB3 1 1 16 4785 1 1 15 CYS N N -1.142 0.283 -4.525 1.00 . A A . 15 CYS N 1 1 16 4786 1 1 15 CYS O O -0.162 2.803 -4.962 1.00 . A A . 15 CYS O 1 1 16 4787 1 1 15 CYS SG S -0.425 -1.052 -1.693 1.00 . A A . 15 CYS SG 1 1 16 4788 1 1 16 PHE C C 1.463 4.931 -2.925 1.00 . A A . 16 PHE C 1 1 16 4789 1 1 16 PHE CA C -0.038 4.761 -3.021 1.00 . A A . 16 PHE CA 1 1 16 4790 1 1 16 PHE CB C -0.746 5.659 -1.997 1.00 . A A . 16 PHE CB 1 1 16 4791 1 1 16 PHE CD1 C -2.936 6.406 -2.976 1.00 . A A . 16 PHE CD1 1 1 16 4792 1 1 16 PHE CD2 C -2.976 4.751 -1.259 1.00 . A A . 16 PHE CD2 1 1 16 4793 1 1 16 PHE CE1 C -4.315 6.359 -3.056 1.00 . A A . 16 PHE CE1 1 1 16 4794 1 1 16 PHE CE2 C -4.354 4.700 -1.335 1.00 . A A . 16 PHE CE2 1 1 16 4795 1 1 16 PHE CG C -2.250 5.605 -2.079 1.00 . A A . 16 PHE CG 1 1 16 4796 1 1 16 PHE CZ C -5.024 5.505 -2.235 1.00 . A A . 16 PHE CZ 1 1 16 4797 1 1 16 PHE H H -0.617 3.014 -1.930 1.00 . A A . 16 PHE H 1 1 16 4798 1 1 16 PHE HA H -0.356 5.043 -4.012 1.00 . A A . 16 PHE HA 1 1 16 4799 1 1 16 PHE HB2 H -0.458 5.352 -1.002 1.00 . A A . 16 PHE HB2 1 1 16 4800 1 1 16 PHE HB3 H -0.438 6.681 -2.153 1.00 . A A . 16 PHE HB3 1 1 16 4801 1 1 16 PHE HD1 H -2.382 7.073 -3.620 1.00 . A A . 16 PHE HD1 1 1 16 4802 1 1 16 PHE HD2 H -2.454 4.121 -0.555 1.00 . A A . 16 PHE HD2 1 1 16 4803 1 1 16 PHE HE1 H -4.838 6.990 -3.761 1.00 . A A . 16 PHE HE1 1 1 16 4804 1 1 16 PHE HE2 H -4.907 4.032 -0.691 1.00 . A A . 16 PHE HE2 1 1 16 4805 1 1 16 PHE HZ H -6.102 5.467 -2.296 1.00 . A A . 16 PHE HZ 1 1 16 4806 1 1 16 PHE N N -0.404 3.365 -2.818 1.00 . A A . 16 PHE N 1 1 16 4807 1 1 16 PHE O O 2.027 5.861 -3.480 1.00 . A A . 16 PHE O 1 1 16 4808 1 1 17 VAL C C 4.045 2.704 -2.726 1.00 . A A . 17 VAL C 1 1 16 4809 1 1 17 VAL CA C 3.509 3.997 -2.127 1.00 . A A . 17 VAL CA 1 1 16 4810 1 1 17 VAL CB C 3.938 4.154 -0.626 1.00 . A A . 17 VAL CB 1 1 16 4811 1 1 17 VAL CG1 C 3.401 3.023 0.250 1.00 . A A . 17 VAL CG1 1 1 16 4812 1 1 17 VAL CG2 C 5.455 4.279 -0.488 1.00 . A A . 17 VAL CG2 1 1 16 4813 1 1 17 VAL H H 1.627 3.236 -1.885 1.00 . A A . 17 VAL H 1 1 16 4814 1 1 17 VAL HA H 3.895 4.828 -2.697 1.00 . A A . 17 VAL HA 1 1 16 4815 1 1 17 VAL HB H 3.492 5.070 -0.265 1.00 . A A . 17 VAL HB 1 1 16 4816 1 1 17 VAL HG11 H 2.321 3.021 0.214 1.00 . A A . 17 VAL HG11 1 1 16 4817 1 1 17 VAL HG12 H 3.729 3.167 1.269 1.00 . A A . 17 VAL HG12 1 1 16 4818 1 1 17 VAL HG13 H 3.775 2.079 -0.117 1.00 . A A . 17 VAL HG13 1 1 16 4819 1 1 17 VAL HG21 H 5.924 3.394 -0.891 1.00 . A A . 17 VAL HG21 1 1 16 4820 1 1 17 VAL HG22 H 5.716 4.384 0.555 1.00 . A A . 17 VAL HG22 1 1 16 4821 1 1 17 VAL HG23 H 5.796 5.146 -1.034 1.00 . A A . 17 VAL HG23 1 1 16 4822 1 1 17 VAL N N 2.096 3.998 -2.274 1.00 . A A . 17 VAL N 1 1 16 4823 1 1 17 VAL O O 3.405 1.648 -2.625 1.00 . A A . 17 VAL O 1 1 16 4824 1 1 18 ARG C C 7.258 1.800 -3.632 1.00 . A A . 18 ARG C 1 1 16 4825 1 1 18 ARG CA C 5.808 1.700 -4.026 1.00 . A A . 18 ARG CA 1 1 16 4826 1 1 18 ARG CB C 5.692 1.647 -5.581 1.00 . A A . 18 ARG CB 1 1 16 4827 1 1 18 ARG CD C 3.247 2.325 -5.969 1.00 . A A . 18 ARG CD 1 1 16 4828 1 1 18 ARG CG C 4.317 1.259 -6.171 1.00 . A A . 18 ARG CG 1 1 16 4829 1 1 18 ARG CZ C 2.829 4.689 -6.674 1.00 . A A . 18 ARG CZ 1 1 16 4830 1 1 18 ARG H H 5.514 3.710 -3.568 1.00 . A A . 18 ARG H 1 1 16 4831 1 1 18 ARG HA H 5.394 0.799 -3.598 1.00 . A A . 18 ARG HA 1 1 16 4832 1 1 18 ARG HB2 H 5.944 2.621 -5.970 1.00 . A A . 18 ARG HB2 1 1 16 4833 1 1 18 ARG HB3 H 6.426 0.942 -5.945 1.00 . A A . 18 ARG HB3 1 1 16 4834 1 1 18 ARG HD2 H 2.327 1.986 -6.424 1.00 . A A . 18 ARG HD2 1 1 16 4835 1 1 18 ARG HD3 H 3.093 2.467 -4.910 1.00 . A A . 18 ARG HD3 1 1 16 4836 1 1 18 ARG HE H 4.560 3.639 -6.881 1.00 . A A . 18 ARG HE 1 1 16 4837 1 1 18 ARG HG2 H 4.431 1.092 -7.232 1.00 . A A . 18 ARG HG2 1 1 16 4838 1 1 18 ARG HG3 H 3.994 0.339 -5.704 1.00 . A A . 18 ARG HG3 1 1 16 4839 1 1 18 ARG HH11 H 1.148 3.760 -5.947 1.00 . A A . 18 ARG HH11 1 1 16 4840 1 1 18 ARG HH12 H 0.933 5.401 -6.352 1.00 . A A . 18 ARG HH12 1 1 16 4841 1 1 18 ARG HH21 H 4.264 5.922 -7.467 1.00 . A A . 18 ARG HH21 1 1 16 4842 1 1 18 ARG HH22 H 2.751 6.663 -7.245 1.00 . A A . 18 ARG HH22 1 1 16 4843 1 1 18 ARG N N 5.123 2.822 -3.440 1.00 . A A . 18 ARG N 1 1 16 4844 1 1 18 ARG NE N 3.628 3.615 -6.573 1.00 . A A . 18 ARG NE 1 1 16 4845 1 1 18 ARG NH1 N 1.547 4.612 -6.305 1.00 . A A . 18 ARG NH1 1 1 16 4846 1 1 18 ARG NH2 N 3.311 5.837 -7.166 1.00 . A A . 18 ARG NH2 1 1 16 4847 1 1 18 ARG O O 7.684 1.136 -2.683 1.00 . A A . 18 ARG O 1 1 16 4848 1 1 18 ARG OXT O 7.984 2.608 -4.220 1.00 . A A . 18 ARG OXT 1 1 17 4849 1 1 1 LEU C C 10.373 -4.048 -10.309 1.00 . A A . 1 LEU C 1 1 17 4850 1 1 1 LEU CA C 10.256 -2.620 -10.809 1.00 . A A . 1 LEU CA 1 1 17 4851 1 1 1 LEU CB C 9.833 -1.656 -9.673 1.00 . A A . 1 LEU CB 1 1 17 4852 1 1 1 LEU CD1 C 12.129 -0.816 -9.027 1.00 . A A . 1 LEU CD1 1 1 17 4853 1 1 1 LEU CD2 C 10.208 -0.561 -7.441 1.00 . A A . 1 LEU CD2 1 1 17 4854 1 1 1 LEU CG C 10.831 -1.433 -8.520 1.00 . A A . 1 LEU CG 1 1 17 4855 1 1 1 LEU H1 H 9.093 -1.700 -12.300 1.00 . A A . 1 LEU H1 1 1 17 4856 1 1 1 LEU HA H 11.194 -2.312 -11.246 1.00 . A A . 1 LEU HA 1 1 17 4857 1 1 1 LEU HB2 H 9.622 -0.694 -10.116 1.00 . A A . 1 LEU HB2 1 1 17 4858 1 1 1 LEU HB3 H 8.914 -2.036 -9.251 1.00 . A A . 1 LEU HB3 1 1 17 4859 1 1 1 LEU HD11 H 12.801 -0.661 -8.195 1.00 . A A . 1 LEU HD11 1 1 17 4860 1 1 1 LEU HD12 H 11.920 0.131 -9.502 1.00 . A A . 1 LEU HD12 1 1 17 4861 1 1 1 LEU HD13 H 12.590 -1.484 -9.739 1.00 . A A . 1 LEU HD13 1 1 17 4862 1 1 1 LEU HD21 H 9.330 -1.049 -7.046 1.00 . A A . 1 LEU HD21 1 1 17 4863 1 1 1 LEU HD22 H 9.931 0.394 -7.864 1.00 . A A . 1 LEU HD22 1 1 17 4864 1 1 1 LEU HD23 H 10.923 -0.408 -6.645 1.00 . A A . 1 LEU HD23 1 1 17 4865 1 1 1 LEU HG H 11.074 -2.390 -8.081 1.00 . A A . 1 LEU HG 1 1 17 4866 1 1 1 LEU N N 9.224 -2.627 -11.852 1.00 . A A . 1 LEU N 1 1 17 4867 1 1 1 LEU O O 9.570 -4.868 -10.705 1.00 . A A . 1 LEU O 1 1 17 4868 1 1 2 VAL C C 10.650 -5.979 -7.718 1.00 . A A . 2 VAL C 1 1 17 4869 1 1 2 VAL CA C 11.557 -5.700 -8.925 1.00 . A A . 2 VAL CA 1 1 17 4870 1 1 2 VAL CB C 13.044 -5.935 -8.530 1.00 . A A . 2 VAL CB 1 1 17 4871 1 1 2 VAL CG1 C 13.945 -5.834 -9.753 1.00 . A A . 2 VAL CG1 1 1 17 4872 1 1 2 VAL CG2 C 13.495 -4.942 -7.455 1.00 . A A . 2 VAL CG2 1 1 17 4873 1 1 2 VAL H H 11.963 -3.641 -9.143 1.00 . A A . 2 VAL H 1 1 17 4874 1 1 2 VAL HA H 11.293 -6.391 -9.712 1.00 . A A . 2 VAL HA 1 1 17 4875 1 1 2 VAL HB H 13.131 -6.936 -8.132 1.00 . A A . 2 VAL HB 1 1 17 4876 1 1 2 VAL HG11 H 14.973 -5.997 -9.459 1.00 . A A . 2 VAL HG11 1 1 17 4877 1 1 2 VAL HG12 H 13.847 -4.853 -10.191 1.00 . A A . 2 VAL HG12 1 1 17 4878 1 1 2 VAL HG13 H 13.655 -6.581 -10.477 1.00 . A A . 2 VAL HG13 1 1 17 4879 1 1 2 VAL HG21 H 13.395 -3.935 -7.831 1.00 . A A . 2 VAL HG21 1 1 17 4880 1 1 2 VAL HG22 H 14.527 -5.131 -7.199 1.00 . A A . 2 VAL HG22 1 1 17 4881 1 1 2 VAL HG23 H 12.879 -5.059 -6.575 1.00 . A A . 2 VAL HG23 1 1 17 4882 1 1 2 VAL N N 11.346 -4.337 -9.453 1.00 . A A . 2 VAL N 1 1 17 4883 1 1 2 VAL O O 10.819 -6.977 -6.991 1.00 . A A . 2 VAL O 1 1 17 4884 1 1 3 ARG C C 7.666 -4.192 -6.754 1.00 . A A . 3 ARG C 1 1 17 4885 1 1 3 ARG CA C 8.755 -5.201 -6.450 1.00 . A A . 3 ARG CA 1 1 17 4886 1 1 3 ARG CB C 9.452 -4.879 -5.114 1.00 . A A . 3 ARG CB 1 1 17 4887 1 1 3 ARG CD C 8.532 -6.932 -3.956 1.00 . A A . 3 ARG CD 1 1 17 4888 1 1 3 ARG CG C 8.752 -5.413 -3.868 1.00 . A A . 3 ARG CG 1 1 17 4889 1 1 3 ARG CZ C 10.235 -8.791 -3.927 1.00 . A A . 3 ARG CZ 1 1 17 4890 1 1 3 ARG H H 9.582 -4.342 -8.120 1.00 . A A . 3 ARG H 1 1 17 4891 1 1 3 ARG HA H 8.349 -6.200 -6.429 1.00 . A A . 3 ARG HA 1 1 17 4892 1 1 3 ARG HB2 H 10.449 -5.294 -5.139 1.00 . A A . 3 ARG HB2 1 1 17 4893 1 1 3 ARG HB3 H 9.532 -3.805 -5.022 1.00 . A A . 3 ARG HB3 1 1 17 4894 1 1 3 ARG HD2 H 8.274 -7.296 -2.973 1.00 . A A . 3 ARG HD2 1 1 17 4895 1 1 3 ARG HD3 H 7.713 -7.130 -4.631 1.00 . A A . 3 ARG HD3 1 1 17 4896 1 1 3 ARG HE H 10.167 -7.249 -5.227 1.00 . A A . 3 ARG HE 1 1 17 4897 1 1 3 ARG HG2 H 9.362 -5.199 -3.002 1.00 . A A . 3 ARG HG2 1 1 17 4898 1 1 3 ARG HG3 H 7.795 -4.924 -3.766 1.00 . A A . 3 ARG HG3 1 1 17 4899 1 1 3 ARG HH11 H 8.899 -8.934 -2.380 1.00 . A A . 3 ARG HH11 1 1 17 4900 1 1 3 ARG HH12 H 10.032 -10.198 -2.433 1.00 . A A . 3 ARG HH12 1 1 17 4901 1 1 3 ARG HH21 H 11.703 -8.955 -5.333 1.00 . A A . 3 ARG HH21 1 1 17 4902 1 1 3 ARG HH22 H 11.710 -10.215 -4.191 1.00 . A A . 3 ARG HH22 1 1 17 4903 1 1 3 ARG N N 9.698 -5.103 -7.515 1.00 . A A . 3 ARG N 1 1 17 4904 1 1 3 ARG NE N 9.739 -7.654 -4.433 1.00 . A A . 3 ARG NE 1 1 17 4905 1 1 3 ARG NH1 N 9.687 -9.349 -2.838 1.00 . A A . 3 ARG NH1 1 1 17 4906 1 1 3 ARG NH2 N 11.287 -9.367 -4.517 1.00 . A A . 3 ARG NH2 1 1 17 4907 1 1 3 ARG O O 7.866 -3.323 -7.619 1.00 . A A . 3 ARG O 1 1 17 4908 1 1 4 GLY C C 4.446 -3.669 -5.220 1.00 . A A . 4 GLY C 1 1 17 4909 1 1 4 GLY CA C 5.453 -3.422 -6.295 1.00 . A A . 4 GLY CA 1 1 17 4910 1 1 4 GLY H H 6.393 -5.039 -5.458 1.00 . A A . 4 GLY H 1 1 17 4911 1 1 4 GLY HA2 H 5.811 -2.405 -6.241 1.00 . A A . 4 GLY HA2 1 1 17 4912 1 1 4 GLY HA3 H 4.992 -3.599 -7.255 1.00 . A A . 4 GLY HA3 1 1 17 4913 1 1 4 GLY N N 6.545 -4.321 -6.108 1.00 . A A . 4 GLY N 1 1 17 4914 1 1 4 GLY O O 4.631 -4.590 -4.418 1.00 . A A . 4 GLY O 1 1 17 4915 1 1 5 CYS C C 1.079 -2.682 -4.740 1.00 . A A . 5 CYS C 1 1 17 4916 1 1 5 CYS CA C 2.387 -3.054 -4.175 1.00 . A A . 5 CYS CA 1 1 17 4917 1 1 5 CYS CB C 2.702 -2.231 -2.935 1.00 . A A . 5 CYS CB 1 1 17 4918 1 1 5 CYS H H 3.277 -2.185 -5.848 1.00 . A A . 5 CYS H 1 1 17 4919 1 1 5 CYS HA H 2.263 -4.086 -3.886 1.00 . A A . 5 CYS HA 1 1 17 4920 1 1 5 CYS HB2 H 3.713 -2.459 -2.676 1.00 . A A . 5 CYS HB2 1 1 17 4921 1 1 5 CYS HB3 H 2.704 -1.178 -3.153 1.00 . A A . 5 CYS HB3 1 1 17 4922 1 1 5 CYS N N 3.403 -2.891 -5.181 1.00 . A A . 5 CYS N 1 1 17 4923 1 1 5 CYS O O 0.970 -1.734 -5.529 1.00 . A A . 5 CYS O 1 1 17 4924 1 1 5 CYS SG S 1.618 -2.559 -1.486 1.00 . A A . 5 CYS SG 1 1 17 4925 1 1 6 TRP C C -2.209 -3.686 -3.724 1.00 . A A . 6 TRP C 1 1 17 4926 1 1 6 TRP CA C -1.228 -3.249 -4.816 1.00 . A A . 6 TRP CA 1 1 17 4927 1 1 6 TRP CB C -1.325 -3.967 -6.180 1.00 . A A . 6 TRP CB 1 1 17 4928 1 1 6 TRP CD1 C -2.594 -6.155 -6.108 1.00 . A A . 6 TRP CD1 1 1 17 4929 1 1 6 TRP CD2 C -3.685 -4.486 -7.095 1.00 . A A . 6 TRP CD2 1 1 17 4930 1 1 6 TRP CE2 C -4.497 -5.624 -7.147 1.00 . A A . 6 TRP CE2 1 1 17 4931 1 1 6 TRP CE3 C -4.142 -3.307 -7.648 1.00 . A A . 6 TRP CE3 1 1 17 4932 1 1 6 TRP CG C -2.493 -4.842 -6.426 1.00 . A A . 6 TRP CG 1 1 17 4933 1 1 6 TRP CH2 C -6.179 -4.418 -8.280 1.00 . A A . 6 TRP CH2 1 1 17 4934 1 1 6 TRP CZ2 C -5.755 -5.608 -7.743 1.00 . A A . 6 TRP CZ2 1 1 17 4935 1 1 6 TRP CZ3 C -5.376 -3.273 -8.232 1.00 . A A . 6 TRP CZ3 1 1 17 4936 1 1 6 TRP H H 0.240 -4.086 -3.649 1.00 . A A . 6 TRP H 1 1 17 4937 1 1 6 TRP HA H -1.356 -2.190 -4.952 1.00 . A A . 6 TRP HA 1 1 17 4938 1 1 6 TRP HB2 H -1.332 -3.206 -6.948 1.00 . A A . 6 TRP HB2 1 1 17 4939 1 1 6 TRP HB3 H -0.427 -4.553 -6.307 1.00 . A A . 6 TRP HB3 1 1 17 4940 1 1 6 TRP HD1 H -1.799 -6.675 -5.587 1.00 . A A . 6 TRP HD1 1 1 17 4941 1 1 6 TRP HE1 H -4.154 -7.557 -6.438 1.00 . A A . 6 TRP HE1 1 1 17 4942 1 1 6 TRP HE3 H -3.537 -2.413 -7.620 1.00 . A A . 6 TRP HE3 1 1 17 4943 1 1 6 TRP HH2 H -7.149 -4.351 -8.751 1.00 . A A . 6 TRP HH2 1 1 17 4944 1 1 6 TRP HZ2 H -6.381 -6.487 -7.784 1.00 . A A . 6 TRP HZ2 1 1 17 4945 1 1 6 TRP HZ3 H -5.715 -2.328 -8.637 1.00 . A A . 6 TRP HZ3 1 1 17 4946 1 1 6 TRP N N 0.090 -3.411 -4.343 1.00 . A A . 6 TRP N 1 1 17 4947 1 1 6 TRP NE1 N -3.808 -6.645 -6.532 1.00 . A A . 6 TRP NE1 1 1 17 4948 1 1 6 TRP O O -2.075 -4.815 -3.161 1.00 . A A . 6 TRP O 1 1 17 4949 1 1 7 THR C C -5.129 -3.935 -2.684 1.00 . A A . 7 THR C 1 1 17 4950 1 1 7 THR CA C -4.030 -2.990 -2.282 1.00 . A A . 7 THR CA 1 1 17 4951 1 1 7 THR CB C -4.641 -1.632 -1.736 1.00 . A A . 7 THR CB 1 1 17 4952 1 1 7 THR CG2 C -3.552 -0.546 -1.650 1.00 . A A . 7 THR CG2 1 1 17 4953 1 1 7 THR H H -3.319 -1.991 -3.927 1.00 . A A . 7 THR H 1 1 17 4954 1 1 7 THR HA H -3.457 -3.452 -1.492 1.00 . A A . 7 THR HA 1 1 17 4955 1 1 7 THR HB H -5.030 -1.804 -0.743 1.00 . A A . 7 THR HB 1 1 17 4956 1 1 7 THR HG1 H -6.544 -1.499 -2.259 1.00 . A A . 7 THR HG1 1 1 17 4957 1 1 7 THR HG21 H -2.773 -0.861 -0.972 1.00 . A A . 7 THR HG21 1 1 17 4958 1 1 7 THR HG22 H -3.983 0.376 -1.289 1.00 . A A . 7 THR HG22 1 1 17 4959 1 1 7 THR HG23 H -3.112 -0.365 -2.623 1.00 . A A . 7 THR HG23 1 1 17 4960 1 1 7 THR N N -3.143 -2.799 -3.392 1.00 . A A . 7 THR N 1 1 17 4961 1 1 7 THR O O -5.754 -3.789 -3.752 1.00 . A A . 7 THR O 1 1 17 4962 1 1 7 THR OG1 O -5.703 -1.146 -2.579 1.00 . A A . 7 THR OG1 1 1 17 4963 1 1 8 LYS C C -7.485 -5.574 -1.245 1.00 . A A . 8 LYS C 1 1 17 4964 1 1 8 LYS CA C -6.319 -5.901 -2.121 1.00 . A A . 8 LYS CA 1 1 17 4965 1 1 8 LYS CB C -5.717 -7.271 -1.827 1.00 . A A . 8 LYS CB 1 1 17 4966 1 1 8 LYS CD C -3.666 -8.707 -2.210 1.00 . A A . 8 LYS CD 1 1 17 4967 1 1 8 LYS CE C -2.333 -8.759 -2.947 1.00 . A A . 8 LYS CE 1 1 17 4968 1 1 8 LYS CG C -4.440 -7.483 -2.629 1.00 . A A . 8 LYS CG 1 1 17 4969 1 1 8 LYS H H -4.843 -4.954 -1.024 1.00 . A A . 8 LYS H 1 1 17 4970 1 1 8 LYS HA H -6.611 -5.843 -3.159 1.00 . A A . 8 LYS HA 1 1 17 4971 1 1 8 LYS HB2 H -5.489 -7.339 -0.773 1.00 . A A . 8 LYS HB2 1 1 17 4972 1 1 8 LYS HB3 H -6.422 -8.043 -2.097 1.00 . A A . 8 LYS HB3 1 1 17 4973 1 1 8 LYS HD2 H -3.483 -8.664 -1.145 1.00 . A A . 8 LYS HD2 1 1 17 4974 1 1 8 LYS HD3 H -4.237 -9.591 -2.450 1.00 . A A . 8 LYS HD3 1 1 17 4975 1 1 8 LYS HE2 H -1.788 -9.631 -2.622 1.00 . A A . 8 LYS HE2 1 1 17 4976 1 1 8 LYS HE3 H -2.525 -8.830 -4.007 1.00 . A A . 8 LYS HE3 1 1 17 4977 1 1 8 LYS HG2 H -4.699 -7.586 -3.673 1.00 . A A . 8 LYS HG2 1 1 17 4978 1 1 8 LYS HG3 H -3.816 -6.610 -2.508 1.00 . A A . 8 LYS HG3 1 1 17 4979 1 1 8 LYS HZ1 H -0.599 -7.598 -3.202 1.00 . A A . 8 LYS HZ1 1 1 17 4980 1 1 8 LYS HZ2 H -1.287 -7.451 -1.670 1.00 . A A . 8 LYS HZ2 1 1 17 4981 1 1 8 LYS HZ3 H -1.984 -6.663 -2.981 1.00 . A A . 8 LYS HZ3 1 1 17 4982 1 1 8 LYS N N -5.336 -4.915 -1.867 1.00 . A A . 8 LYS N 1 1 17 4983 1 1 8 LYS NZ N -1.498 -7.539 -2.684 1.00 . A A . 8 LYS NZ 1 1 17 4984 1 1 8 LYS O O -7.442 -5.756 -0.032 1.00 . A A . 8 LYS O 1 1 17 4985 1 1 9 SER C C -10.750 -4.515 -2.216 1.00 . A A . 9 SER C 1 1 17 4986 1 1 9 SER CA C -9.621 -4.524 -1.209 1.00 . A A . 9 SER CA 1 1 17 4987 1 1 9 SER CB C -9.282 -3.092 -0.723 1.00 . A A . 9 SER CB 1 1 17 4988 1 1 9 SER H H -8.465 -4.957 -2.837 1.00 . A A . 9 SER H 1 1 17 4989 1 1 9 SER HA H -9.867 -5.141 -0.359 1.00 . A A . 9 SER HA 1 1 17 4990 1 1 9 SER HB2 H -10.195 -2.579 -0.458 1.00 . A A . 9 SER HB2 1 1 17 4991 1 1 9 SER HB3 H -8.639 -3.152 0.144 1.00 . A A . 9 SER HB3 1 1 17 4992 1 1 9 SER HG H -9.254 -1.927 -2.343 1.00 . A A . 9 SER HG 1 1 17 4993 1 1 9 SER N N -8.473 -5.037 -1.860 1.00 . A A . 9 SER N 1 1 17 4994 1 1 9 SER O O -10.639 -5.153 -3.266 1.00 . A A . 9 SER O 1 1 17 4995 1 1 9 SER OG O -8.607 -2.336 -1.749 1.00 . A A . 9 SER OG 1 1 17 4996 1 1 10 TYR C C -13.381 -2.246 -2.796 1.00 . A A . 10 TYR C 1 1 17 4997 1 1 10 TYR CA C -12.886 -3.689 -2.856 1.00 . A A . 10 TYR CA 1 1 17 4998 1 1 10 TYR CB C -14.022 -4.682 -2.559 1.00 . A A . 10 TYR CB 1 1 17 4999 1 1 10 TYR CD1 C -15.004 -5.219 -4.824 1.00 . A A . 10 TYR CD1 1 1 17 5000 1 1 10 TYR CD2 C -16.363 -4.027 -3.271 1.00 . A A . 10 TYR CD2 1 1 17 5001 1 1 10 TYR CE1 C -16.025 -5.184 -5.753 1.00 . A A . 10 TYR CE1 1 1 17 5002 1 1 10 TYR CE2 C -17.390 -3.987 -4.195 1.00 . A A . 10 TYR CE2 1 1 17 5003 1 1 10 TYR CG C -15.153 -4.643 -3.569 1.00 . A A . 10 TYR CG 1 1 17 5004 1 1 10 TYR CZ C -17.216 -4.567 -5.433 1.00 . A A . 10 TYR CZ 1 1 17 5005 1 1 10 TYR H H -11.914 -3.381 -1.055 1.00 . A A . 10 TYR H 1 1 17 5006 1 1 10 TYR HA H -12.471 -3.888 -3.836 1.00 . A A . 10 TYR HA 1 1 17 5007 1 1 10 TYR HB2 H -13.621 -5.684 -2.550 1.00 . A A . 10 TYR HB2 1 1 17 5008 1 1 10 TYR HB3 H -14.436 -4.459 -1.586 1.00 . A A . 10 TYR HB3 1 1 17 5009 1 1 10 TYR HD1 H -14.070 -5.702 -5.071 1.00 . A A . 10 TYR HD1 1 1 17 5010 1 1 10 TYR HD2 H -16.498 -3.574 -2.301 1.00 . A A . 10 TYR HD2 1 1 17 5011 1 1 10 TYR HE1 H -15.890 -5.639 -6.723 1.00 . A A . 10 TYR HE1 1 1 17 5012 1 1 10 TYR HE2 H -18.323 -3.503 -3.945 1.00 . A A . 10 TYR HE2 1 1 17 5013 1 1 10 TYR HH H -18.636 -3.657 -6.360 1.00 . A A . 10 TYR HH 1 1 17 5014 1 1 10 TYR N N -11.816 -3.830 -1.920 1.00 . A A . 10 TYR N 1 1 17 5015 1 1 10 TYR O O -13.979 -1.842 -1.808 1.00 . A A . 10 TYR O 1 1 17 5016 1 1 10 TYR OH O -18.235 -4.529 -6.356 1.00 . A A . 10 TYR OH 1 1 17 5017 1 1 11 PRO C C -10.777 -1.968 -4.652 1.00 . A A . 11 PRO C 1 1 17 5018 1 1 11 PRO CA C -12.281 -1.867 -4.958 1.00 . A A . 11 PRO CA 1 1 17 5019 1 1 11 PRO CB C -12.525 -0.788 -6.012 1.00 . A A . 11 PRO CB 1 1 17 5020 1 1 11 PRO CD C -13.488 -0.048 -3.950 1.00 . A A . 11 PRO CD 1 1 17 5021 1 1 11 PRO CG C -13.576 0.110 -5.439 1.00 . A A . 11 PRO CG 1 1 17 5022 1 1 11 PRO HA H -12.654 -2.806 -5.335 1.00 . A A . 11 PRO HA 1 1 17 5023 1 1 11 PRO HB2 H -11.591 -0.281 -6.213 1.00 . A A . 11 PRO HB2 1 1 17 5024 1 1 11 PRO HB3 H -12.887 -1.300 -6.889 1.00 . A A . 11 PRO HB3 1 1 17 5025 1 1 11 PRO HD2 H -12.747 0.622 -3.538 1.00 . A A . 11 PRO HD2 1 1 17 5026 1 1 11 PRO HD3 H -14.451 0.113 -3.489 1.00 . A A . 11 PRO HD3 1 1 17 5027 1 1 11 PRO HG2 H -13.382 1.133 -5.731 1.00 . A A . 11 PRO HG2 1 1 17 5028 1 1 11 PRO HG3 H -14.554 -0.202 -5.776 1.00 . A A . 11 PRO HG3 1 1 17 5029 1 1 11 PRO N N -13.074 -1.440 -3.817 1.00 . A A . 11 PRO N 1 1 17 5030 1 1 11 PRO O O -10.258 -1.293 -3.752 1.00 . A A . 11 PRO O 1 1 17 5031 1 1 12 PRO C C -7.920 -2.035 -6.139 1.00 . A A . 12 PRO C 1 1 17 5032 1 1 12 PRO CA C -8.655 -3.031 -5.230 1.00 . A A . 12 PRO CA 1 1 17 5033 1 1 12 PRO CB C -8.440 -4.475 -5.687 1.00 . A A . 12 PRO CB 1 1 17 5034 1 1 12 PRO CD C -10.688 -3.799 -6.305 1.00 . A A . 12 PRO CD 1 1 17 5035 1 1 12 PRO CG C -9.584 -4.787 -6.606 1.00 . A A . 12 PRO CG 1 1 17 5036 1 1 12 PRO HA H -8.323 -2.901 -4.210 1.00 . A A . 12 PRO HA 1 1 17 5037 1 1 12 PRO HB2 H -7.489 -4.552 -6.198 1.00 . A A . 12 PRO HB2 1 1 17 5038 1 1 12 PRO HB3 H -8.467 -5.145 -4.841 1.00 . A A . 12 PRO HB3 1 1 17 5039 1 1 12 PRO HD2 H -11.013 -3.261 -7.179 1.00 . A A . 12 PRO HD2 1 1 17 5040 1 1 12 PRO HD3 H -11.562 -4.261 -5.878 1.00 . A A . 12 PRO HD3 1 1 17 5041 1 1 12 PRO HG2 H -9.260 -4.689 -7.631 1.00 . A A . 12 PRO HG2 1 1 17 5042 1 1 12 PRO HG3 H -9.942 -5.791 -6.423 1.00 . A A . 12 PRO HG3 1 1 17 5043 1 1 12 PRO N N -10.095 -2.863 -5.346 1.00 . A A . 12 PRO N 1 1 17 5044 1 1 12 PRO O O -8.359 -1.769 -7.267 1.00 . A A . 12 PRO O 1 1 17 5045 1 1 13 LYS C C -4.632 -0.515 -5.983 1.00 . A A . 13 LYS C 1 1 17 5046 1 1 13 LYS CA C -6.129 -0.438 -6.380 1.00 . A A . 13 LYS CA 1 1 17 5047 1 1 13 LYS CB C -6.824 0.898 -5.998 1.00 . A A . 13 LYS CB 1 1 17 5048 1 1 13 LYS CD C -5.112 2.757 -6.230 1.00 . A A . 13 LYS CD 1 1 17 5049 1 1 13 LYS CE C -5.270 3.312 -4.816 1.00 . A A . 13 LYS CE 1 1 17 5050 1 1 13 LYS CG C -6.414 2.173 -6.740 1.00 . A A . 13 LYS CG 1 1 17 5051 1 1 13 LYS H H -6.451 -1.774 -4.799 1.00 . A A . 13 LYS H 1 1 17 5052 1 1 13 LYS HA H -6.238 -0.621 -7.439 1.00 . A A . 13 LYS HA 1 1 17 5053 1 1 13 LYS HB2 H -7.888 0.770 -6.138 1.00 . A A . 13 LYS HB2 1 1 17 5054 1 1 13 LYS HB3 H -6.639 1.024 -4.946 1.00 . A A . 13 LYS HB3 1 1 17 5055 1 1 13 LYS HD2 H -4.400 1.942 -6.232 1.00 . A A . 13 LYS HD2 1 1 17 5056 1 1 13 LYS HD3 H -4.779 3.536 -6.900 1.00 . A A . 13 LYS HD3 1 1 17 5057 1 1 13 LYS HE2 H -5.982 4.124 -4.838 1.00 . A A . 13 LYS HE2 1 1 17 5058 1 1 13 LYS HE3 H -5.639 2.537 -4.162 1.00 . A A . 13 LYS HE3 1 1 17 5059 1 1 13 LYS HG2 H -6.326 1.966 -7.797 1.00 . A A . 13 LYS HG2 1 1 17 5060 1 1 13 LYS HG3 H -7.205 2.888 -6.584 1.00 . A A . 13 LYS HG3 1 1 17 5061 1 1 13 LYS HZ1 H -4.212 4.320 -3.373 1.00 . A A . 13 LYS HZ1 1 1 17 5062 1 1 13 LYS HZ2 H -3.545 4.520 -4.894 1.00 . A A . 13 LYS HZ2 1 1 17 5063 1 1 13 LYS HZ3 H -3.320 3.065 -4.086 1.00 . A A . 13 LYS HZ3 1 1 17 5064 1 1 13 LYS N N -6.835 -1.476 -5.656 1.00 . A A . 13 LYS N 1 1 17 5065 1 1 13 LYS NZ N -4.004 3.823 -4.275 1.00 . A A . 13 LYS NZ 1 1 17 5066 1 1 13 LYS O O -4.338 -0.934 -4.905 1.00 . A A . 13 LYS O 1 1 17 5067 1 1 14 PRO C C -1.849 0.551 -5.242 1.00 . A A . 14 PRO C 1 1 17 5068 1 1 14 PRO CA C -2.223 -0.268 -6.521 1.00 . A A . 14 PRO CA 1 1 17 5069 1 1 14 PRO CB C -1.520 0.306 -7.759 1.00 . A A . 14 PRO CB 1 1 17 5070 1 1 14 PRO CD C -3.848 0.223 -8.269 1.00 . A A . 14 PRO CD 1 1 17 5071 1 1 14 PRO CG C -2.590 0.986 -8.546 1.00 . A A . 14 PRO CG 1 1 17 5072 1 1 14 PRO HA H -1.949 -1.303 -6.402 1.00 . A A . 14 PRO HA 1 1 17 5073 1 1 14 PRO HB2 H -0.753 0.988 -7.430 1.00 . A A . 14 PRO HB2 1 1 17 5074 1 1 14 PRO HB3 H -1.087 -0.491 -8.345 1.00 . A A . 14 PRO HB3 1 1 17 5075 1 1 14 PRO HD2 H -4.710 0.862 -8.379 1.00 . A A . 14 PRO HD2 1 1 17 5076 1 1 14 PRO HD3 H -3.925 -0.636 -8.920 1.00 . A A . 14 PRO HD3 1 1 17 5077 1 1 14 PRO HG2 H -2.685 2.012 -8.218 1.00 . A A . 14 PRO HG2 1 1 17 5078 1 1 14 PRO HG3 H -2.366 0.943 -9.602 1.00 . A A . 14 PRO HG3 1 1 17 5079 1 1 14 PRO N N -3.659 -0.191 -6.871 1.00 . A A . 14 PRO N 1 1 17 5080 1 1 14 PRO O O -2.520 1.524 -4.910 1.00 . A A . 14 PRO O 1 1 17 5081 1 1 15 CYS C C 0.364 2.206 -3.619 1.00 . A A . 15 CYS C 1 1 17 5082 1 1 15 CYS CA C -0.327 0.894 -3.302 1.00 . A A . 15 CYS CA 1 1 17 5083 1 1 15 CYS CB C 0.623 0.032 -2.586 1.00 . A A . 15 CYS CB 1 1 17 5084 1 1 15 CYS H H -0.148 -0.563 -4.796 1.00 . A A . 15 CYS H 1 1 17 5085 1 1 15 CYS HA H -1.193 1.070 -2.687 1.00 . A A . 15 CYS HA 1 1 17 5086 1 1 15 CYS HB2 H 1.212 -0.295 -3.428 1.00 . A A . 15 CYS HB2 1 1 17 5087 1 1 15 CYS HB3 H 1.269 0.559 -1.915 1.00 . A A . 15 CYS HB3 1 1 17 5088 1 1 15 CYS N N -0.747 0.187 -4.543 1.00 . A A . 15 CYS N 1 1 17 5089 1 1 15 CYS O O 0.936 2.870 -2.768 1.00 . A A . 15 CYS O 1 1 17 5090 1 1 15 CYS SG S -0.050 -1.476 -1.846 1.00 . A A . 15 CYS SG 1 1 17 5091 1 1 16 PHE C C -0.225 4.776 -5.299 1.00 . A A . 16 PHE C 1 1 17 5092 1 1 16 PHE CA C 0.859 3.731 -5.365 1.00 . A A . 16 PHE CA 1 1 17 5093 1 1 16 PHE CB C 1.349 3.523 -6.806 1.00 . A A . 16 PHE CB 1 1 17 5094 1 1 16 PHE CD1 C 3.791 2.919 -6.708 1.00 . A A . 16 PHE CD1 1 1 17 5095 1 1 16 PHE CD2 C 2.233 1.200 -7.259 1.00 . A A . 16 PHE CD2 1 1 17 5096 1 1 16 PHE CE1 C 4.830 2.012 -6.816 1.00 . A A . 16 PHE CE1 1 1 17 5097 1 1 16 PHE CE2 C 3.267 0.291 -7.369 1.00 . A A . 16 PHE CE2 1 1 17 5098 1 1 16 PHE CG C 2.480 2.526 -6.928 1.00 . A A . 16 PHE CG 1 1 17 5099 1 1 16 PHE CZ C 4.567 0.697 -7.146 1.00 . A A . 16 PHE CZ 1 1 17 5100 1 1 16 PHE H H -0.195 1.844 -5.321 1.00 . A A . 16 PHE H 1 1 17 5101 1 1 16 PHE HA H 1.682 4.034 -4.735 1.00 . A A . 16 PHE HA 1 1 17 5102 1 1 16 PHE HB2 H 0.528 3.167 -7.408 1.00 . A A . 16 PHE HB2 1 1 17 5103 1 1 16 PHE HB3 H 1.692 4.469 -7.202 1.00 . A A . 16 PHE HB3 1 1 17 5104 1 1 16 PHE HD1 H 3.999 3.947 -6.449 1.00 . A A . 16 PHE HD1 1 1 17 5105 1 1 16 PHE HD2 H 1.220 0.876 -7.435 1.00 . A A . 16 PHE HD2 1 1 17 5106 1 1 16 PHE HE1 H 5.847 2.334 -6.642 1.00 . A A . 16 PHE HE1 1 1 17 5107 1 1 16 PHE HE2 H 3.058 -0.737 -7.627 1.00 . A A . 16 PHE HE2 1 1 17 5108 1 1 16 PHE HZ H 5.377 -0.011 -7.231 1.00 . A A . 16 PHE HZ 1 1 17 5109 1 1 16 PHE N N 0.312 2.517 -4.829 1.00 . A A . 16 PHE N 1 1 17 5110 1 1 16 PHE O O -1.329 4.564 -5.844 1.00 . A A . 16 PHE O 1 1 17 5111 1 1 17 VAL C C -1.866 6.437 -3.221 1.00 . A A . 17 VAL C 1 1 17 5112 1 1 17 VAL CA C -0.886 6.947 -4.296 1.00 . A A . 17 VAL CA 1 1 17 5113 1 1 17 VAL CB C -1.645 7.459 -5.592 1.00 . A A . 17 VAL CB 1 1 17 5114 1 1 17 VAL CG1 C -2.635 8.580 -5.283 1.00 . A A . 17 VAL CG1 1 1 17 5115 1 1 17 VAL CG2 C -0.648 7.934 -6.647 1.00 . A A . 17 VAL CG2 1 1 17 5116 1 1 17 VAL H H 0.959 5.944 -4.188 1.00 . A A . 17 VAL H 1 1 17 5117 1 1 17 VAL HA H -0.318 7.754 -3.855 1.00 . A A . 17 VAL HA 1 1 17 5118 1 1 17 VAL HB H -2.197 6.626 -6.004 1.00 . A A . 17 VAL HB 1 1 17 5119 1 1 17 VAL HG11 H -3.137 8.879 -6.192 1.00 . A A . 17 VAL HG11 1 1 17 5120 1 1 17 VAL HG12 H -2.105 9.426 -4.871 1.00 . A A . 17 VAL HG12 1 1 17 5121 1 1 17 VAL HG13 H -3.364 8.230 -4.566 1.00 . A A . 17 VAL HG13 1 1 17 5122 1 1 17 VAL HG21 H 0.002 7.115 -6.918 1.00 . A A . 17 VAL HG21 1 1 17 5123 1 1 17 VAL HG22 H -0.060 8.745 -6.245 1.00 . A A . 17 VAL HG22 1 1 17 5124 1 1 17 VAL HG23 H -1.184 8.273 -7.522 1.00 . A A . 17 VAL HG23 1 1 17 5125 1 1 17 VAL N N 0.068 5.873 -4.582 1.00 . A A . 17 VAL N 1 1 17 5126 1 1 17 VAL O O -2.035 5.232 -3.060 1.00 . A A . 17 VAL O 1 1 17 5127 1 1 18 ARG C C -4.689 6.541 -2.138 1.00 . A A . 18 ARG C 1 1 17 5128 1 1 18 ARG CA C -3.387 6.933 -1.444 1.00 . A A . 18 ARG CA 1 1 17 5129 1 1 18 ARG CB C -3.571 8.067 -0.386 1.00 . A A . 18 ARG CB 1 1 17 5130 1 1 18 ARG CD C -5.980 7.947 0.480 1.00 . A A . 18 ARG CD 1 1 17 5131 1 1 18 ARG CG C -4.500 7.730 0.799 1.00 . A A . 18 ARG CG 1 1 17 5132 1 1 18 ARG CZ C -6.927 10.002 -0.635 1.00 . A A . 18 ARG CZ 1 1 17 5133 1 1 18 ARG H H -2.217 8.269 -2.577 1.00 . A A . 18 ARG H 1 1 17 5134 1 1 18 ARG HA H -2.991 6.050 -0.962 1.00 . A A . 18 ARG HA 1 1 17 5135 1 1 18 ARG HB2 H -2.601 8.320 0.017 1.00 . A A . 18 ARG HB2 1 1 17 5136 1 1 18 ARG HB3 H -3.969 8.935 -0.889 1.00 . A A . 18 ARG HB3 1 1 17 5137 1 1 18 ARG HD2 H -6.201 7.485 -0.471 1.00 . A A . 18 ARG HD2 1 1 17 5138 1 1 18 ARG HD3 H -6.571 7.474 1.250 1.00 . A A . 18 ARG HD3 1 1 17 5139 1 1 18 ARG HE H -6.181 9.853 1.265 1.00 . A A . 18 ARG HE 1 1 17 5140 1 1 18 ARG HG2 H -4.355 6.694 1.068 1.00 . A A . 18 ARG HG2 1 1 17 5141 1 1 18 ARG HG3 H -4.226 8.353 1.638 1.00 . A A . 18 ARG HG3 1 1 17 5142 1 1 18 ARG HH11 H -6.487 8.531 -2.001 1.00 . A A . 18 ARG HH11 1 1 17 5143 1 1 18 ARG HH12 H -7.364 9.812 -2.650 1.00 . A A . 18 ARG HH12 1 1 17 5144 1 1 18 ARG HH21 H -7.371 11.737 0.375 1.00 . A A . 18 ARG HH21 1 1 17 5145 1 1 18 ARG HH22 H -7.864 11.714 -1.257 1.00 . A A . 18 ARG HH22 1 1 17 5146 1 1 18 ARG N N -2.430 7.325 -2.450 1.00 . A A . 18 ARG N 1 1 17 5147 1 1 18 ARG NE N -6.339 9.389 0.417 1.00 . A A . 18 ARG NE 1 1 17 5148 1 1 18 ARG NH1 N -6.934 9.432 -1.833 1.00 . A A . 18 ARG NH1 1 1 17 5149 1 1 18 ARG NH2 N -7.421 11.240 -0.493 1.00 . A A . 18 ARG NH2 1 1 17 5150 1 1 18 ARG O O -5.456 7.440 -2.506 1.00 . A A . 18 ARG O 1 1 17 5151 1 1 18 ARG OXT O -4.916 5.344 -2.340 1.00 . A A . 18 ARG OXT 1 1 18 5152 1 1 1 LEU C C 10.606 2.591 -1.665 1.00 . A A . 1 LEU C 1 1 18 5153 1 1 1 LEU CA C 11.305 3.266 -0.512 1.00 . A A . 1 LEU CA 1 1 18 5154 1 1 1 LEU CB C 12.579 2.479 -0.077 1.00 . A A . 1 LEU CB 1 1 18 5155 1 1 1 LEU CD1 C 13.702 0.307 0.430 1.00 . A A . 1 LEU CD1 1 1 18 5156 1 1 1 LEU CD2 C 12.060 1.222 2.041 1.00 . A A . 1 LEU CD2 1 1 18 5157 1 1 1 LEU CG C 12.404 1.090 0.562 1.00 . A A . 1 LEU CG 1 1 18 5158 1 1 1 LEU H1 H 10.725 3.977 1.398 1.00 . A A . 1 LEU H1 1 1 18 5159 1 1 1 LEU HA H 11.583 4.253 -0.855 1.00 . A A . 1 LEU HA 1 1 18 5160 1 1 1 LEU HB2 H 13.200 2.351 -0.952 1.00 . A A . 1 LEU HB2 1 1 18 5161 1 1 1 LEU HB3 H 13.129 3.096 0.618 1.00 . A A . 1 LEU HB3 1 1 18 5162 1 1 1 LEU HD11 H 13.600 -0.648 0.923 1.00 . A A . 1 LEU HD11 1 1 18 5163 1 1 1 LEU HD12 H 14.513 0.865 0.873 1.00 . A A . 1 LEU HD12 1 1 18 5164 1 1 1 LEU HD13 H 13.915 0.146 -0.617 1.00 . A A . 1 LEU HD13 1 1 18 5165 1 1 1 LEU HD21 H 12.856 1.739 2.555 1.00 . A A . 1 LEU HD21 1 1 18 5166 1 1 1 LEU HD22 H 11.941 0.235 2.466 1.00 . A A . 1 LEU HD22 1 1 18 5167 1 1 1 LEU HD23 H 11.141 1.779 2.150 1.00 . A A . 1 LEU HD23 1 1 18 5168 1 1 1 LEU HG H 11.615 0.543 0.068 1.00 . A A . 1 LEU HG 1 1 18 5169 1 1 1 LEU N N 10.338 3.476 0.578 1.00 . A A . 1 LEU N 1 1 18 5170 1 1 1 LEU O O 9.401 2.458 -1.634 1.00 . A A . 1 LEU O 1 1 18 5171 1 1 2 VAL C C 10.499 0.079 -3.632 1.00 . A A . 2 VAL C 1 1 18 5172 1 1 2 VAL CA C 10.727 1.579 -3.839 1.00 . A A . 2 VAL CA 1 1 18 5173 1 1 2 VAL CB C 11.556 1.843 -5.134 1.00 . A A . 2 VAL CB 1 1 18 5174 1 1 2 VAL CG1 C 10.835 1.315 -6.375 1.00 . A A . 2 VAL CG1 1 1 18 5175 1 1 2 VAL CG2 C 11.858 3.333 -5.287 1.00 . A A . 2 VAL CG2 1 1 18 5176 1 1 2 VAL H H 12.320 2.217 -2.655 1.00 . A A . 2 VAL H 1 1 18 5177 1 1 2 VAL HA H 9.760 2.049 -3.948 1.00 . A A . 2 VAL HA 1 1 18 5178 1 1 2 VAL HB H 12.494 1.315 -5.043 1.00 . A A . 2 VAL HB 1 1 18 5179 1 1 2 VAL HG11 H 9.864 1.781 -6.458 1.00 . A A . 2 VAL HG11 1 1 18 5180 1 1 2 VAL HG12 H 10.718 0.246 -6.300 1.00 . A A . 2 VAL HG12 1 1 18 5181 1 1 2 VAL HG13 H 11.421 1.554 -7.250 1.00 . A A . 2 VAL HG13 1 1 18 5182 1 1 2 VAL HG21 H 12.436 3.490 -6.186 1.00 . A A . 2 VAL HG21 1 1 18 5183 1 1 2 VAL HG22 H 12.425 3.670 -4.431 1.00 . A A . 2 VAL HG22 1 1 18 5184 1 1 2 VAL HG23 H 10.935 3.890 -5.351 1.00 . A A . 2 VAL HG23 1 1 18 5185 1 1 2 VAL N N 11.343 2.169 -2.673 1.00 . A A . 2 VAL N 1 1 18 5186 1 1 2 VAL O O 11.385 -0.728 -3.850 1.00 . A A . 2 VAL O 1 1 18 5187 1 1 3 ARG C C 7.485 -1.721 -3.391 1.00 . A A . 3 ARG C 1 1 18 5188 1 1 3 ARG CA C 8.916 -1.625 -2.933 1.00 . A A . 3 ARG CA 1 1 18 5189 1 1 3 ARG CB C 9.000 -2.068 -1.473 1.00 . A A . 3 ARG CB 1 1 18 5190 1 1 3 ARG CD C 10.333 -2.471 0.598 1.00 . A A . 3 ARG CD 1 1 18 5191 1 1 3 ARG CG C 10.392 -2.116 -0.880 1.00 . A A . 3 ARG CG 1 1 18 5192 1 1 3 ARG CZ C 9.551 -1.355 2.701 1.00 . A A . 3 ARG CZ 1 1 18 5193 1 1 3 ARG H H 8.723 0.448 -2.810 1.00 . A A . 3 ARG H 1 1 18 5194 1 1 3 ARG HA H 9.536 -2.260 -3.548 1.00 . A A . 3 ARG HA 1 1 18 5195 1 1 3 ARG HB2 H 8.411 -1.386 -0.877 1.00 . A A . 3 ARG HB2 1 1 18 5196 1 1 3 ARG HB3 H 8.560 -3.050 -1.398 1.00 . A A . 3 ARG HB3 1 1 18 5197 1 1 3 ARG HD2 H 9.853 -3.431 0.706 1.00 . A A . 3 ARG HD2 1 1 18 5198 1 1 3 ARG HD3 H 11.337 -2.532 0.988 1.00 . A A . 3 ARG HD3 1 1 18 5199 1 1 3 ARG HE H 9.090 -0.794 0.821 1.00 . A A . 3 ARG HE 1 1 18 5200 1 1 3 ARG HG2 H 10.973 -2.861 -1.403 1.00 . A A . 3 ARG HG2 1 1 18 5201 1 1 3 ARG HG3 H 10.861 -1.149 -0.994 1.00 . A A . 3 ARG HG3 1 1 18 5202 1 1 3 ARG HH11 H 10.547 -3.104 3.073 1.00 . A A . 3 ARG HH11 1 1 18 5203 1 1 3 ARG HH12 H 10.100 -2.253 4.476 1.00 . A A . 3 ARG HH12 1 1 18 5204 1 1 3 ARG HH21 H 8.556 0.405 2.652 1.00 . A A . 3 ARG HH21 1 1 18 5205 1 1 3 ARG HH22 H 8.885 -0.145 4.242 1.00 . A A . 3 ARG HH22 1 1 18 5206 1 1 3 ARG N N 9.341 -0.253 -3.106 1.00 . A A . 3 ARG N 1 1 18 5207 1 1 3 ARG NE N 9.581 -1.460 1.369 1.00 . A A . 3 ARG NE 1 1 18 5208 1 1 3 ARG NH1 N 10.104 -2.301 3.475 1.00 . A A . 3 ARG NH1 1 1 18 5209 1 1 3 ARG NH2 N 8.959 -0.300 3.256 1.00 . A A . 3 ARG NH2 1 1 18 5210 1 1 3 ARG O O 6.612 -1.039 -2.836 1.00 . A A . 3 ARG O 1 1 18 5211 1 1 4 GLY C C 4.917 -3.229 -3.996 1.00 . A A . 4 GLY C 1 1 18 5212 1 1 4 GLY CA C 5.949 -2.710 -4.960 1.00 . A A . 4 GLY CA 1 1 18 5213 1 1 4 GLY H H 7.963 -3.100 -4.748 1.00 . A A . 4 GLY H 1 1 18 5214 1 1 4 GLY HA2 H 5.622 -1.748 -5.324 1.00 . A A . 4 GLY HA2 1 1 18 5215 1 1 4 GLY HA3 H 6.022 -3.392 -5.794 1.00 . A A . 4 GLY HA3 1 1 18 5216 1 1 4 GLY N N 7.245 -2.553 -4.381 1.00 . A A . 4 GLY N 1 1 18 5217 1 1 4 GLY O O 5.204 -4.046 -3.103 1.00 . A A . 4 GLY O 1 1 18 5218 1 1 5 CYS C C 1.373 -2.793 -4.185 1.00 . A A . 5 CYS C 1 1 18 5219 1 1 5 CYS CA C 2.612 -3.077 -3.380 1.00 . A A . 5 CYS CA 1 1 18 5220 1 1 5 CYS CB C 2.581 -2.291 -2.057 1.00 . A A . 5 CYS CB 1 1 18 5221 1 1 5 CYS H H 3.643 -1.992 -4.795 1.00 . A A . 5 CYS H 1 1 18 5222 1 1 5 CYS HA H 2.638 -4.134 -3.160 1.00 . A A . 5 CYS HA 1 1 18 5223 1 1 5 CYS HB2 H 1.569 -2.354 -1.698 1.00 . A A . 5 CYS HB2 1 1 18 5224 1 1 5 CYS HB3 H 3.261 -2.737 -1.347 1.00 . A A . 5 CYS HB3 1 1 18 5225 1 1 5 CYS N N 3.757 -2.707 -4.138 1.00 . A A . 5 CYS N 1 1 18 5226 1 1 5 CYS O O 1.401 -1.964 -5.099 1.00 . A A . 5 CYS O 1 1 18 5227 1 1 5 CYS SG S 2.969 -0.493 -2.193 1.00 . A A . 5 CYS SG 1 1 18 5228 1 1 6 TRP C C -2.020 -3.621 -3.415 1.00 . A A . 6 TRP C 1 1 18 5229 1 1 6 TRP CA C -0.972 -3.226 -4.455 1.00 . A A . 6 TRP CA 1 1 18 5230 1 1 6 TRP CB C -1.078 -3.948 -5.828 1.00 . A A . 6 TRP CB 1 1 18 5231 1 1 6 TRP CD1 C -2.068 -6.299 -5.624 1.00 . A A . 6 TRP CD1 1 1 18 5232 1 1 6 TRP CD2 C -3.428 -4.788 -6.544 1.00 . A A . 6 TRP CD2 1 1 18 5233 1 1 6 TRP CE2 C -4.101 -6.015 -6.510 1.00 . A A . 6 TRP CE2 1 1 18 5234 1 1 6 TRP CE3 C -4.069 -3.683 -7.076 1.00 . A A . 6 TRP CE3 1 1 18 5235 1 1 6 TRP CG C -2.143 -4.985 -5.972 1.00 . A A . 6 TRP CG 1 1 18 5236 1 1 6 TRP CH2 C -6.004 -5.040 -7.517 1.00 . A A . 6 TRP CH2 1 1 18 5237 1 1 6 TRP CZ2 C -5.398 -6.161 -6.998 1.00 . A A . 6 TRP CZ2 1 1 18 5238 1 1 6 TRP CZ3 C -5.340 -3.802 -7.555 1.00 . A A . 6 TRP CZ3 1 1 18 5239 1 1 6 TRP H H 0.335 -4.202 -3.211 1.00 . A A . 6 TRP H 1 1 18 5240 1 1 6 TRP HA H -1.043 -2.156 -4.591 1.00 . A A . 6 TRP HA 1 1 18 5241 1 1 6 TRP HB2 H -1.247 -3.200 -6.590 1.00 . A A . 6 TRP HB2 1 1 18 5242 1 1 6 TRP HB3 H -0.124 -4.413 -6.033 1.00 . A A . 6 TRP HB3 1 1 18 5243 1 1 6 TRP HD1 H -1.196 -6.741 -5.161 1.00 . A A . 6 TRP HD1 1 1 18 5244 1 1 6 TRP HE1 H -3.443 -7.878 -5.786 1.00 . A A . 6 TRP HE1 1 1 18 5245 1 1 6 TRP HE3 H -3.577 -2.723 -7.115 1.00 . A A . 6 TRP HE3 1 1 18 5246 1 1 6 TRP HH2 H -7.009 -5.105 -7.907 1.00 . A A . 6 TRP HH2 1 1 18 5247 1 1 6 TRP HZ2 H -5.917 -7.107 -6.972 1.00 . A A . 6 TRP HZ2 1 1 18 5248 1 1 6 TRP HZ3 H -5.807 -2.906 -7.947 1.00 . A A . 6 TRP HZ3 1 1 18 5249 1 1 6 TRP N N 0.308 -3.473 -3.869 1.00 . A A . 6 TRP N 1 1 18 5250 1 1 6 TRP NE1 N -3.249 -6.930 -5.939 1.00 . A A . 6 TRP NE1 1 1 18 5251 1 1 6 TRP O O -1.815 -4.591 -2.681 1.00 . A A . 6 TRP O 1 1 18 5252 1 1 7 THR C C -5.201 -3.906 -2.749 1.00 . A A . 7 THR C 1 1 18 5253 1 1 7 THR CA C -4.031 -3.069 -2.253 1.00 . A A . 7 THR CA 1 1 18 5254 1 1 7 THR CB C -4.529 -1.714 -1.626 1.00 . A A . 7 THR CB 1 1 18 5255 1 1 7 THR CG2 C -3.344 -0.868 -1.229 1.00 . A A . 7 THR CG2 1 1 18 5256 1 1 7 THR H H -3.284 -2.128 -3.927 1.00 . A A . 7 THR H 1 1 18 5257 1 1 7 THR HA H -3.531 -3.629 -1.476 1.00 . A A . 7 THR HA 1 1 18 5258 1 1 7 THR HB H -5.120 -1.917 -0.745 1.00 . A A . 7 THR HB 1 1 18 5259 1 1 7 THR HG1 H -6.139 -1.395 -2.662 1.00 . A A . 7 THR HG1 1 1 18 5260 1 1 7 THR HG21 H -2.809 -0.609 -2.132 1.00 . A A . 7 THR HG21 1 1 18 5261 1 1 7 THR HG22 H -2.704 -1.434 -0.569 1.00 . A A . 7 THR HG22 1 1 18 5262 1 1 7 THR HG23 H -3.692 0.036 -0.753 1.00 . A A . 7 THR HG23 1 1 18 5263 1 1 7 THR N N -3.072 -2.853 -3.292 1.00 . A A . 7 THR N 1 1 18 5264 1 1 7 THR O O -6.103 -3.413 -3.456 1.00 . A A . 7 THR O 1 1 18 5265 1 1 7 THR OG1 O -5.288 -0.959 -2.571 1.00 . A A . 7 THR OG1 1 1 18 5266 1 1 8 LYS C C -7.370 -5.823 -1.770 1.00 . A A . 8 LYS C 1 1 18 5267 1 1 8 LYS CA C -6.262 -6.033 -2.800 1.00 . A A . 8 LYS CA 1 1 18 5268 1 1 8 LYS CB C -5.787 -7.517 -2.905 1.00 . A A . 8 LYS CB 1 1 18 5269 1 1 8 LYS CD C -7.901 -8.914 -2.343 1.00 . A A . 8 LYS CD 1 1 18 5270 1 1 8 LYS CE C -7.287 -9.579 -1.112 1.00 . A A . 8 LYS CE 1 1 18 5271 1 1 8 LYS CG C -6.836 -8.559 -3.395 1.00 . A A . 8 LYS CG 1 1 18 5272 1 1 8 LYS H H -4.376 -5.504 -1.969 1.00 . A A . 8 LYS H 1 1 18 5273 1 1 8 LYS HA H -6.634 -5.699 -3.758 1.00 . A A . 8 LYS HA 1 1 18 5274 1 1 8 LYS HB2 H -4.963 -7.542 -3.602 1.00 . A A . 8 LYS HB2 1 1 18 5275 1 1 8 LYS HB3 H -5.417 -7.828 -1.940 1.00 . A A . 8 LYS HB3 1 1 18 5276 1 1 8 LYS HD2 H -8.400 -8.010 -2.029 1.00 . A A . 8 LYS HD2 1 1 18 5277 1 1 8 LYS HD3 H -8.621 -9.588 -2.784 1.00 . A A . 8 LYS HD3 1 1 18 5278 1 1 8 LYS HE2 H -6.829 -10.512 -1.404 1.00 . A A . 8 LYS HE2 1 1 18 5279 1 1 8 LYS HE3 H -6.531 -8.928 -0.699 1.00 . A A . 8 LYS HE3 1 1 18 5280 1 1 8 LYS HG2 H -7.343 -8.146 -4.254 1.00 . A A . 8 LYS HG2 1 1 18 5281 1 1 8 LYS HG3 H -6.321 -9.460 -3.695 1.00 . A A . 8 LYS HG3 1 1 18 5282 1 1 8 LYS HZ1 H -8.721 -8.956 0.262 1.00 . A A . 8 LYS HZ1 1 1 18 5283 1 1 8 LYS HZ2 H -7.856 -10.322 0.752 1.00 . A A . 8 LYS HZ2 1 1 18 5284 1 1 8 LYS HZ3 H -9.058 -10.465 -0.432 1.00 . A A . 8 LYS HZ3 1 1 18 5285 1 1 8 LYS N N -5.168 -5.175 -2.443 1.00 . A A . 8 LYS N 1 1 18 5286 1 1 8 LYS NZ N -8.304 -9.853 -0.061 1.00 . A A . 8 LYS NZ 1 1 18 5287 1 1 8 LYS O O -7.294 -6.292 -0.627 1.00 . A A . 8 LYS O 1 1 18 5288 1 1 9 SER C C -10.677 -4.632 -2.312 1.00 . A A . 9 SER C 1 1 18 5289 1 1 9 SER CA C -9.491 -4.742 -1.365 1.00 . A A . 9 SER CA 1 1 18 5290 1 1 9 SER CB C -9.193 -3.387 -0.693 1.00 . A A . 9 SER CB 1 1 18 5291 1 1 9 SER H H -8.370 -4.773 -3.098 1.00 . A A . 9 SER H 1 1 18 5292 1 1 9 SER HA H -9.666 -5.502 -0.618 1.00 . A A . 9 SER HA 1 1 18 5293 1 1 9 SER HB2 H -9.096 -2.622 -1.449 1.00 . A A . 9 SER HB2 1 1 18 5294 1 1 9 SER HB3 H -10.000 -3.130 -0.024 1.00 . A A . 9 SER HB3 1 1 18 5295 1 1 9 SER HG H -7.666 -4.362 0.032 1.00 . A A . 9 SER HG 1 1 18 5296 1 1 9 SER N N -8.362 -5.106 -2.175 1.00 . A A . 9 SER N 1 1 18 5297 1 1 9 SER O O -10.626 -5.215 -3.397 1.00 . A A . 9 SER O 1 1 18 5298 1 1 9 SER OG O -7.983 -3.452 0.052 1.00 . A A . 9 SER OG 1 1 18 5299 1 1 10 TYR C C -13.463 -2.379 -2.533 1.00 . A A . 10 TYR C 1 1 18 5300 1 1 10 TYR CA C -12.838 -3.746 -2.815 1.00 . A A . 10 TYR CA 1 1 18 5301 1 1 10 TYR CB C -13.869 -4.878 -2.654 1.00 . A A . 10 TYR CB 1 1 18 5302 1 1 10 TYR CD1 C -14.826 -5.044 -4.987 1.00 . A A . 10 TYR CD1 1 1 18 5303 1 1 10 TYR CD2 C -16.311 -4.492 -3.204 1.00 . A A . 10 TYR CD2 1 1 18 5304 1 1 10 TYR CE1 C -15.872 -4.978 -5.887 1.00 . A A . 10 TYR CE1 1 1 18 5305 1 1 10 TYR CE2 C -17.362 -4.425 -4.098 1.00 . A A . 10 TYR CE2 1 1 18 5306 1 1 10 TYR CG C -15.025 -4.805 -3.632 1.00 . A A . 10 TYR CG 1 1 18 5307 1 1 10 TYR CZ C -17.137 -4.668 -5.438 1.00 . A A . 10 TYR CZ 1 1 18 5308 1 1 10 TYR H H -11.766 -3.511 -1.052 1.00 . A A . 10 TYR H 1 1 18 5309 1 1 10 TYR HA H -12.444 -3.755 -3.824 1.00 . A A . 10 TYR HA 1 1 18 5310 1 1 10 TYR HB2 H -13.375 -5.827 -2.798 1.00 . A A . 10 TYR HB2 1 1 18 5311 1 1 10 TYR HB3 H -14.274 -4.842 -1.654 1.00 . A A . 10 TYR HB3 1 1 18 5312 1 1 10 TYR HD1 H -13.834 -5.287 -5.338 1.00 . A A . 10 TYR HD1 1 1 18 5313 1 1 10 TYR HD2 H -16.486 -4.302 -2.155 1.00 . A A . 10 TYR HD2 1 1 18 5314 1 1 10 TYR HE1 H -15.694 -5.169 -6.934 1.00 . A A . 10 TYR HE1 1 1 18 5315 1 1 10 TYR HE2 H -18.355 -4.183 -3.747 1.00 . A A . 10 TYR HE2 1 1 18 5316 1 1 10 TYR HH H -18.728 -3.837 -6.138 1.00 . A A . 10 TYR HH 1 1 18 5317 1 1 10 TYR N N -11.716 -3.939 -1.933 1.00 . A A . 10 TYR N 1 1 18 5318 1 1 10 TYR O O -14.033 -2.170 -1.470 1.00 . A A . 10 TYR O 1 1 18 5319 1 1 10 TYR OH O -18.180 -4.602 -6.332 1.00 . A A . 10 TYR OH 1 1 18 5320 1 1 11 PRO C C -11.044 -1.662 -4.468 1.00 . A A . 11 PRO C 1 1 18 5321 1 1 11 PRO CA C -12.568 -1.614 -4.694 1.00 . A A . 11 PRO CA 1 1 18 5322 1 1 11 PRO CB C -12.935 -0.413 -5.560 1.00 . A A . 11 PRO CB 1 1 18 5323 1 1 11 PRO CD C -13.873 -0.072 -3.382 1.00 . A A . 11 PRO CD 1 1 18 5324 1 1 11 PRO CG C -14.034 0.291 -4.830 1.00 . A A . 11 PRO CG 1 1 18 5325 1 1 11 PRO HA H -12.911 -2.515 -5.178 1.00 . A A . 11 PRO HA 1 1 18 5326 1 1 11 PRO HB2 H -12.049 0.190 -5.697 1.00 . A A . 11 PRO HB2 1 1 18 5327 1 1 11 PRO HB3 H -13.285 -0.804 -6.503 1.00 . A A . 11 PRO HB3 1 1 18 5328 1 1 11 PRO HD2 H -13.189 0.604 -2.891 1.00 . A A . 11 PRO HD2 1 1 18 5329 1 1 11 PRO HD3 H -14.829 -0.080 -2.879 1.00 . A A . 11 PRO HD3 1 1 18 5330 1 1 11 PRO HG2 H -13.945 1.359 -4.973 1.00 . A A . 11 PRO HG2 1 1 18 5331 1 1 11 PRO HG3 H -14.994 -0.056 -5.181 1.00 . A A . 11 PRO HG3 1 1 18 5332 1 1 11 PRO N N -13.314 -1.419 -3.460 1.00 . A A . 11 PRO N 1 1 18 5333 1 1 11 PRO O O -10.510 -0.965 -3.606 1.00 . A A . 11 PRO O 1 1 18 5334 1 1 12 PRO C C -8.128 -1.593 -5.856 1.00 . A A . 12 PRO C 1 1 18 5335 1 1 12 PRO CA C -8.913 -2.673 -5.101 1.00 . A A . 12 PRO CA 1 1 18 5336 1 1 12 PRO CB C -8.672 -4.053 -5.713 1.00 . A A . 12 PRO CB 1 1 18 5337 1 1 12 PRO CD C -10.921 -3.329 -6.289 1.00 . A A . 12 PRO CD 1 1 18 5338 1 1 12 PRO CG C -9.830 -4.315 -6.631 1.00 . A A . 12 PRO CG 1 1 18 5339 1 1 12 PRO HA H -8.608 -2.674 -4.065 1.00 . A A . 12 PRO HA 1 1 18 5340 1 1 12 PRO HB2 H -7.735 -4.041 -6.248 1.00 . A A . 12 PRO HB2 1 1 18 5341 1 1 12 PRO HB3 H -8.651 -4.807 -4.941 1.00 . A A . 12 PRO HB3 1 1 18 5342 1 1 12 PRO HD2 H -11.181 -2.707 -7.127 1.00 . A A . 12 PRO HD2 1 1 18 5343 1 1 12 PRO HD3 H -11.826 -3.804 -5.946 1.00 . A A . 12 PRO HD3 1 1 18 5344 1 1 12 PRO HG2 H -9.517 -4.190 -7.657 1.00 . A A . 12 PRO HG2 1 1 18 5345 1 1 12 PRO HG3 H -10.197 -5.319 -6.475 1.00 . A A . 12 PRO HG3 1 1 18 5346 1 1 12 PRO N N -10.352 -2.498 -5.227 1.00 . A A . 12 PRO N 1 1 18 5347 1 1 12 PRO O O -8.656 -0.958 -6.797 1.00 . A A . 12 PRO O 1 1 18 5348 1 1 13 LYS C C -4.629 -0.658 -6.027 1.00 . A A . 13 LYS C 1 1 18 5349 1 1 13 LYS CA C -6.091 -0.338 -6.068 1.00 . A A . 13 LYS CA 1 1 18 5350 1 1 13 LYS CB C -6.266 0.968 -5.333 1.00 . A A . 13 LYS CB 1 1 18 5351 1 1 13 LYS CD C -6.530 2.238 -7.424 1.00 . A A . 13 LYS CD 1 1 18 5352 1 1 13 LYS CE C -7.037 3.544 -8.000 1.00 . A A . 13 LYS CE 1 1 18 5353 1 1 13 LYS CG C -7.091 1.998 -6.044 1.00 . A A . 13 LYS CG 1 1 18 5354 1 1 13 LYS H H -6.460 -1.871 -4.725 1.00 . A A . 13 LYS H 1 1 18 5355 1 1 13 LYS HA H -6.429 -0.195 -7.080 1.00 . A A . 13 LYS HA 1 1 18 5356 1 1 13 LYS HB2 H -6.699 0.776 -4.362 1.00 . A A . 13 LYS HB2 1 1 18 5357 1 1 13 LYS HB3 H -5.264 1.347 -5.210 1.00 . A A . 13 LYS HB3 1 1 18 5358 1 1 13 LYS HD2 H -5.453 2.121 -7.408 1.00 . A A . 13 LYS HD2 1 1 18 5359 1 1 13 LYS HD3 H -6.920 1.439 -8.041 1.00 . A A . 13 LYS HD3 1 1 18 5360 1 1 13 LYS HE2 H -6.722 4.354 -7.358 1.00 . A A . 13 LYS HE2 1 1 18 5361 1 1 13 LYS HE3 H -6.615 3.679 -8.985 1.00 . A A . 13 LYS HE3 1 1 18 5362 1 1 13 LYS HG2 H -8.110 1.647 -6.126 1.00 . A A . 13 LYS HG2 1 1 18 5363 1 1 13 LYS HG3 H -7.064 2.923 -5.488 1.00 . A A . 13 LYS HG3 1 1 18 5364 1 1 13 LYS HZ1 H -8.932 3.386 -7.158 1.00 . A A . 13 LYS HZ1 1 1 18 5365 1 1 13 LYS HZ2 H -8.838 2.789 -8.735 1.00 . A A . 13 LYS HZ2 1 1 18 5366 1 1 13 LYS HZ3 H -8.864 4.462 -8.466 1.00 . A A . 13 LYS HZ3 1 1 18 5367 1 1 13 LYS N N -6.890 -1.361 -5.452 1.00 . A A . 13 LYS N 1 1 18 5368 1 1 13 LYS NZ N -8.522 3.552 -8.101 1.00 . A A . 13 LYS NZ 1 1 18 5369 1 1 13 LYS O O -4.174 -1.269 -5.089 1.00 . A A . 13 LYS O 1 1 18 5370 1 1 14 PRO C C -1.966 0.600 -5.840 1.00 . A A . 14 PRO C 1 1 18 5371 1 1 14 PRO CA C -2.429 -0.360 -6.948 1.00 . A A . 14 PRO CA 1 1 18 5372 1 1 14 PRO CB C -1.902 0.052 -8.322 1.00 . A A . 14 PRO CB 1 1 18 5373 1 1 14 PRO CD C -4.274 -0.060 -8.453 1.00 . A A . 14 PRO CD 1 1 18 5374 1 1 14 PRO CG C -3.077 0.642 -9.023 1.00 . A A . 14 PRO CG 1 1 18 5375 1 1 14 PRO HA H -2.132 -1.360 -6.702 1.00 . A A . 14 PRO HA 1 1 18 5376 1 1 14 PRO HB2 H -1.086 0.745 -8.191 1.00 . A A . 14 PRO HB2 1 1 18 5377 1 1 14 PRO HB3 H -1.561 -0.820 -8.862 1.00 . A A . 14 PRO HB3 1 1 18 5378 1 1 14 PRO HD2 H -5.151 0.565 -8.512 1.00 . A A . 14 PRO HD2 1 1 18 5379 1 1 14 PRO HD3 H -4.449 -0.984 -8.983 1.00 . A A . 14 PRO HD3 1 1 18 5380 1 1 14 PRO HG2 H -3.123 1.702 -8.823 1.00 . A A . 14 PRO HG2 1 1 18 5381 1 1 14 PRO HG3 H -3.017 0.452 -10.084 1.00 . A A . 14 PRO HG3 1 1 18 5382 1 1 14 PRO N N -3.856 -0.329 -7.071 1.00 . A A . 14 PRO N 1 1 18 5383 1 1 14 PRO O O -2.540 1.680 -5.651 1.00 . A A . 14 PRO O 1 1 18 5384 1 1 15 CYS C C 0.529 1.926 -4.474 1.00 . A A . 15 CYS C 1 1 18 5385 1 1 15 CYS CA C -0.472 0.906 -4.002 1.00 . A A . 15 CYS CA 1 1 18 5386 1 1 15 CYS CB C 0.104 -0.106 -3.001 1.00 . A A . 15 CYS CB 1 1 18 5387 1 1 15 CYS H H -0.458 -0.607 -5.360 1.00 . A A . 15 CYS H 1 1 18 5388 1 1 15 CYS HA H -1.302 1.418 -3.539 1.00 . A A . 15 CYS HA 1 1 18 5389 1 1 15 CYS HB2 H -0.712 -0.576 -2.474 1.00 . A A . 15 CYS HB2 1 1 18 5390 1 1 15 CYS HB3 H 0.618 -0.873 -3.564 1.00 . A A . 15 CYS HB3 1 1 18 5391 1 1 15 CYS N N -0.967 0.189 -5.117 1.00 . A A . 15 CYS N 1 1 18 5392 1 1 15 CYS O O 1.097 1.805 -5.560 1.00 . A A . 15 CYS O 1 1 18 5393 1 1 15 CYS SG S 1.247 0.486 -1.720 1.00 . A A . 15 CYS SG 1 1 18 5394 1 1 16 PHE C C 3.049 3.872 -3.725 1.00 . A A . 16 PHE C 1 1 18 5395 1 1 16 PHE CA C 1.557 4.055 -4.017 1.00 . A A . 16 PHE CA 1 1 18 5396 1 1 16 PHE CB C 1.020 5.309 -3.315 1.00 . A A . 16 PHE CB 1 1 18 5397 1 1 16 PHE CD1 C -0.762 6.204 -4.858 1.00 . A A . 16 PHE CD1 1 1 18 5398 1 1 16 PHE CD2 C -1.433 5.331 -2.739 1.00 . A A . 16 PHE CD2 1 1 18 5399 1 1 16 PHE CE1 C -2.083 6.487 -5.161 1.00 . A A . 16 PHE CE1 1 1 18 5400 1 1 16 PHE CE2 C -2.754 5.614 -3.036 1.00 . A A . 16 PHE CE2 1 1 18 5401 1 1 16 PHE CG C -0.421 5.622 -3.645 1.00 . A A . 16 PHE CG 1 1 18 5402 1 1 16 PHE CZ C -3.079 6.192 -4.248 1.00 . A A . 16 PHE CZ 1 1 18 5403 1 1 16 PHE H H 0.338 2.778 -2.775 1.00 . A A . 16 PHE H 1 1 18 5404 1 1 16 PHE HA H 1.439 4.198 -5.081 1.00 . A A . 16 PHE HA 1 1 18 5405 1 1 16 PHE HB2 H 1.099 5.171 -2.247 1.00 . A A . 16 PHE HB2 1 1 18 5406 1 1 16 PHE HB3 H 1.624 6.157 -3.605 1.00 . A A . 16 PHE HB3 1 1 18 5407 1 1 16 PHE HD1 H 0.015 6.434 -5.572 1.00 . A A . 16 PHE HD1 1 1 18 5408 1 1 16 PHE HD2 H -1.180 4.878 -1.790 1.00 . A A . 16 PHE HD2 1 1 18 5409 1 1 16 PHE HE1 H -2.338 6.939 -6.107 1.00 . A A . 16 PHE HE1 1 1 18 5410 1 1 16 PHE HE2 H -3.531 5.384 -2.322 1.00 . A A . 16 PHE HE2 1 1 18 5411 1 1 16 PHE HZ H -4.110 6.411 -4.481 1.00 . A A . 16 PHE HZ 1 1 18 5412 1 1 16 PHE N N 0.751 2.889 -3.655 1.00 . A A . 16 PHE N 1 1 18 5413 1 1 16 PHE O O 3.814 4.820 -3.857 1.00 . A A . 16 PHE O 1 1 18 5414 1 1 17 VAL C C 5.385 2.803 -1.769 1.00 . A A . 17 VAL C 1 1 18 5415 1 1 17 VAL CA C 4.843 2.266 -3.120 1.00 . A A . 17 VAL CA 1 1 18 5416 1 1 17 VAL CB C 5.780 2.654 -4.328 1.00 . A A . 17 VAL CB 1 1 18 5417 1 1 17 VAL CG1 C 7.230 2.314 -4.055 1.00 . A A . 17 VAL CG1 1 1 18 5418 1 1 17 VAL CG2 C 5.323 1.962 -5.611 1.00 . A A . 17 VAL CG2 1 1 18 5419 1 1 17 VAL H H 2.746 1.962 -3.249 1.00 . A A . 17 VAL H 1 1 18 5420 1 1 17 VAL HA H 4.835 1.188 -3.034 1.00 . A A . 17 VAL HA 1 1 18 5421 1 1 17 VAL HB H 5.703 3.721 -4.480 1.00 . A A . 17 VAL HB 1 1 18 5422 1 1 17 VAL HG11 H 7.573 2.850 -3.182 1.00 . A A . 17 VAL HG11 1 1 18 5423 1 1 17 VAL HG12 H 7.826 2.599 -4.909 1.00 . A A . 17 VAL HG12 1 1 18 5424 1 1 17 VAL HG13 H 7.326 1.251 -3.889 1.00 . A A . 17 VAL HG13 1 1 18 5425 1 1 17 VAL HG21 H 5.364 0.891 -5.485 1.00 . A A . 17 VAL HG21 1 1 18 5426 1 1 17 VAL HG22 H 5.976 2.254 -6.420 1.00 . A A . 17 VAL HG22 1 1 18 5427 1 1 17 VAL HG23 H 4.310 2.259 -5.843 1.00 . A A . 17 VAL HG23 1 1 18 5428 1 1 17 VAL N N 3.439 2.642 -3.363 1.00 . A A . 17 VAL N 1 1 18 5429 1 1 17 VAL O O 5.279 3.981 -1.451 1.00 . A A . 17 VAL O 1 1 18 5430 1 1 18 ARG C C 7.629 1.294 0.693 1.00 . A A . 18 ARG C 1 1 18 5431 1 1 18 ARG CA C 6.501 2.228 0.324 1.00 . A A . 18 ARG CA 1 1 18 5432 1 1 18 ARG CB C 5.407 2.366 1.440 1.00 . A A . 18 ARG CB 1 1 18 5433 1 1 18 ARG CD C 4.605 -0.102 1.924 1.00 . A A . 18 ARG CD 1 1 18 5434 1 1 18 ARG CG C 4.237 1.334 1.489 1.00 . A A . 18 ARG CG 1 1 18 5435 1 1 18 ARG CZ C 5.054 -2.097 0.499 1.00 . A A . 18 ARG CZ 1 1 18 5436 1 1 18 ARG H H 6.061 0.983 -1.301 1.00 . A A . 18 ARG H 1 1 18 5437 1 1 18 ARG HA H 6.968 3.194 0.186 1.00 . A A . 18 ARG HA 1 1 18 5438 1 1 18 ARG HB2 H 5.905 2.316 2.397 1.00 . A A . 18 ARG HB2 1 1 18 5439 1 1 18 ARG HB3 H 4.978 3.354 1.351 1.00 . A A . 18 ARG HB3 1 1 18 5440 1 1 18 ARG HD2 H 5.222 -0.056 2.810 1.00 . A A . 18 ARG HD2 1 1 18 5441 1 1 18 ARG HD3 H 3.690 -0.622 2.162 1.00 . A A . 18 ARG HD3 1 1 18 5442 1 1 18 ARG HE H 6.041 -0.338 0.444 1.00 . A A . 18 ARG HE 1 1 18 5443 1 1 18 ARG HG2 H 3.497 1.703 2.182 1.00 . A A . 18 ARG HG2 1 1 18 5444 1 1 18 ARG HG3 H 3.793 1.299 0.505 1.00 . A A . 18 ARG HG3 1 1 18 5445 1 1 18 ARG HH11 H 3.750 -2.505 2.014 1.00 . A A . 18 ARG HH11 1 1 18 5446 1 1 18 ARG HH12 H 3.982 -3.804 0.932 1.00 . A A . 18 ARG HH12 1 1 18 5447 1 1 18 ARG HH21 H 6.305 -1.999 -1.085 1.00 . A A . 18 ARG HH21 1 1 18 5448 1 1 18 ARG HH22 H 5.520 -3.497 -0.969 1.00 . A A . 18 ARG HH22 1 1 18 5449 1 1 18 ARG N N 5.959 1.904 -0.981 1.00 . A A . 18 ARG N 1 1 18 5450 1 1 18 ARG NE N 5.321 -0.854 0.893 1.00 . A A . 18 ARG NE 1 1 18 5451 1 1 18 ARG NH1 N 4.200 -2.862 1.193 1.00 . A A . 18 ARG NH1 1 1 18 5452 1 1 18 ARG NH2 N 5.661 -2.583 -0.578 1.00 . A A . 18 ARG NH2 1 1 18 5453 1 1 18 ARG O O 8.583 1.707 1.396 1.00 . A A . 18 ARG O 1 1 18 5454 1 1 18 ARG OXT O 7.615 0.150 0.231 1.00 . A A . 18 ARG OXT 1 1 19 5455 1 1 1 LEU C C 12.004 1.720 -9.416 1.00 . A A . 1 LEU C 1 1 19 5456 1 1 1 LEU CA C 13.187 2.609 -9.179 1.00 . A A . 1 LEU CA 1 1 19 5457 1 1 1 LEU CB C 13.373 2.873 -7.651 1.00 . A A . 1 LEU CB 1 1 19 5458 1 1 1 LEU CD1 C 12.471 3.347 -5.348 1.00 . A A . 1 LEU CD1 1 1 19 5459 1 1 1 LEU CD2 C 11.816 4.857 -7.204 1.00 . A A . 1 LEU CD2 1 1 19 5460 1 1 1 LEU CG C 12.162 3.415 -6.834 1.00 . A A . 1 LEU CG 1 1 19 5461 1 1 1 LEU H1 H 11.998 4.150 -9.704 1.00 . A A . 1 LEU H1 1 1 19 5462 1 1 1 LEU HA H 14.064 2.123 -9.584 1.00 . A A . 1 LEU HA 1 1 19 5463 1 1 1 LEU HB2 H 13.677 1.943 -7.195 1.00 . A A . 1 LEU HB2 1 1 19 5464 1 1 1 LEU HB3 H 14.188 3.574 -7.541 1.00 . A A . 1 LEU HB3 1 1 19 5465 1 1 1 LEU HD11 H 12.656 2.321 -5.064 1.00 . A A . 1 LEU HD11 1 1 19 5466 1 1 1 LEU HD12 H 11.632 3.730 -4.788 1.00 . A A . 1 LEU HD12 1 1 19 5467 1 1 1 LEU HD13 H 13.347 3.942 -5.136 1.00 . A A . 1 LEU HD13 1 1 19 5468 1 1 1 LEU HD21 H 12.675 5.490 -7.039 1.00 . A A . 1 LEU HD21 1 1 19 5469 1 1 1 LEU HD22 H 10.996 5.197 -6.588 1.00 . A A . 1 LEU HD22 1 1 19 5470 1 1 1 LEU HD23 H 11.521 4.910 -8.241 1.00 . A A . 1 LEU HD23 1 1 19 5471 1 1 1 LEU HG H 11.302 2.789 -7.023 1.00 . A A . 1 LEU HG 1 1 19 5472 1 1 1 LEU N N 12.963 3.841 -9.940 1.00 . A A . 1 LEU N 1 1 19 5473 1 1 1 LEU O O 11.045 2.171 -10.026 1.00 . A A . 1 LEU O 1 1 19 5474 1 1 2 VAL C C 10.180 -0.489 -7.815 1.00 . A A . 2 VAL C 1 1 19 5475 1 1 2 VAL CA C 10.955 -0.423 -9.117 1.00 . A A . 2 VAL CA 1 1 19 5476 1 1 2 VAL CB C 11.424 -1.851 -9.538 1.00 . A A . 2 VAL CB 1 1 19 5477 1 1 2 VAL CG1 C 12.081 -1.816 -10.912 1.00 . A A . 2 VAL CG1 1 1 19 5478 1 1 2 VAL CG2 C 12.383 -2.451 -8.508 1.00 . A A . 2 VAL CG2 1 1 19 5479 1 1 2 VAL H H 12.837 0.167 -8.460 1.00 . A A . 2 VAL H 1 1 19 5480 1 1 2 VAL HA H 10.305 -0.023 -9.882 1.00 . A A . 2 VAL HA 1 1 19 5481 1 1 2 VAL HB H 10.549 -2.483 -9.603 1.00 . A A . 2 VAL HB 1 1 19 5482 1 1 2 VAL HG11 H 11.371 -1.459 -11.643 1.00 . A A . 2 VAL HG11 1 1 19 5483 1 1 2 VAL HG12 H 12.409 -2.809 -11.182 1.00 . A A . 2 VAL HG12 1 1 19 5484 1 1 2 VAL HG13 H 12.931 -1.152 -10.884 1.00 . A A . 2 VAL HG13 1 1 19 5485 1 1 2 VAL HG21 H 13.253 -1.818 -8.416 1.00 . A A . 2 VAL HG21 1 1 19 5486 1 1 2 VAL HG22 H 12.688 -3.437 -8.829 1.00 . A A . 2 VAL HG22 1 1 19 5487 1 1 2 VAL HG23 H 11.887 -2.520 -7.552 1.00 . A A . 2 VAL HG23 1 1 19 5488 1 1 2 VAL N N 12.062 0.496 -8.960 1.00 . A A . 2 VAL N 1 1 19 5489 1 1 2 VAL O O 10.733 -0.183 -6.754 1.00 . A A . 2 VAL O 1 1 19 5490 1 1 3 ARG C C 6.853 -1.757 -7.111 1.00 . A A . 3 ARG C 1 1 19 5491 1 1 3 ARG CA C 8.069 -0.936 -6.737 1.00 . A A . 3 ARG CA 1 1 19 5492 1 1 3 ARG CB C 7.655 0.469 -6.258 1.00 . A A . 3 ARG CB 1 1 19 5493 1 1 3 ARG CD C 6.527 1.896 -4.544 1.00 . A A . 3 ARG CD 1 1 19 5494 1 1 3 ARG CG C 6.793 0.480 -5.013 1.00 . A A . 3 ARG CG 1 1 19 5495 1 1 3 ARG CZ C 5.878 2.717 -2.278 1.00 . A A . 3 ARG CZ 1 1 19 5496 1 1 3 ARG H H 8.506 -1.036 -8.761 1.00 . A A . 3 ARG H 1 1 19 5497 1 1 3 ARG HA H 8.615 -1.438 -5.953 1.00 . A A . 3 ARG HA 1 1 19 5498 1 1 3 ARG HB2 H 8.550 1.038 -6.050 1.00 . A A . 3 ARG HB2 1 1 19 5499 1 1 3 ARG HB3 H 7.112 0.957 -7.053 1.00 . A A . 3 ARG HB3 1 1 19 5500 1 1 3 ARG HD2 H 7.471 2.372 -4.323 1.00 . A A . 3 ARG HD2 1 1 19 5501 1 1 3 ARG HD3 H 6.028 2.436 -5.335 1.00 . A A . 3 ARG HD3 1 1 19 5502 1 1 3 ARG HE H 4.922 1.302 -3.377 1.00 . A A . 3 ARG HE 1 1 19 5503 1 1 3 ARG HG2 H 5.850 0.000 -5.235 1.00 . A A . 3 ARG HG2 1 1 19 5504 1 1 3 ARG HG3 H 7.299 -0.065 -4.230 1.00 . A A . 3 ARG HG3 1 1 19 5505 1 1 3 ARG HH11 H 7.621 3.612 -2.934 1.00 . A A . 3 ARG HH11 1 1 19 5506 1 1 3 ARG HH12 H 7.064 4.148 -1.418 1.00 . A A . 3 ARG HH12 1 1 19 5507 1 1 3 ARG HH21 H 4.219 2.094 -1.236 1.00 . A A . 3 ARG HH21 1 1 19 5508 1 1 3 ARG HH22 H 5.157 3.292 -0.464 1.00 . A A . 3 ARG HH22 1 1 19 5509 1 1 3 ARG N N 8.920 -0.833 -7.896 1.00 . A A . 3 ARG N 1 1 19 5510 1 1 3 ARG NE N 5.687 1.921 -3.347 1.00 . A A . 3 ARG NE 1 1 19 5511 1 1 3 ARG NH1 N 6.927 3.536 -2.221 1.00 . A A . 3 ARG NH1 1 1 19 5512 1 1 3 ARG NH2 N 5.023 2.684 -1.270 1.00 . A A . 3 ARG NH2 1 1 19 5513 1 1 3 ARG O O 6.237 -1.503 -8.137 1.00 . A A . 3 ARG O 1 1 19 5514 1 1 4 GLY C C 4.542 -3.795 -5.398 1.00 . A A . 4 GLY C 1 1 19 5515 1 1 4 GLY CA C 5.413 -3.589 -6.606 1.00 . A A . 4 GLY CA 1 1 19 5516 1 1 4 GLY H H 7.066 -2.931 -5.508 1.00 . A A . 4 GLY H 1 1 19 5517 1 1 4 GLY HA2 H 4.826 -3.131 -7.389 1.00 . A A . 4 GLY HA2 1 1 19 5518 1 1 4 GLY HA3 H 5.769 -4.549 -6.948 1.00 . A A . 4 GLY HA3 1 1 19 5519 1 1 4 GLY N N 6.539 -2.748 -6.314 1.00 . A A . 4 GLY N 1 1 19 5520 1 1 4 GLY O O 4.817 -4.650 -4.571 1.00 . A A . 4 GLY O 1 1 19 5521 1 1 5 CYS C C 1.217 -2.689 -4.669 1.00 . A A . 5 CYS C 1 1 19 5522 1 1 5 CYS CA C 2.586 -3.094 -4.201 1.00 . A A . 5 CYS CA 1 1 19 5523 1 1 5 CYS CB C 3.048 -2.323 -2.954 1.00 . A A . 5 CYS CB 1 1 19 5524 1 1 5 CYS H H 3.377 -2.243 -5.893 1.00 . A A . 5 CYS H 1 1 19 5525 1 1 5 CYS HA H 2.481 -4.142 -3.951 1.00 . A A . 5 CYS HA 1 1 19 5526 1 1 5 CYS HB2 H 2.167 -2.126 -2.368 1.00 . A A . 5 CYS HB2 1 1 19 5527 1 1 5 CYS HB3 H 3.728 -2.939 -2.385 1.00 . A A . 5 CYS HB3 1 1 19 5528 1 1 5 CYS N N 3.531 -2.981 -5.268 1.00 . A A . 5 CYS N 1 1 19 5529 1 1 5 CYS O O 1.062 -1.750 -5.455 1.00 . A A . 5 CYS O 1 1 19 5530 1 1 5 CYS SG S 3.859 -0.690 -3.252 1.00 . A A . 5 CYS SG 1 1 19 5531 1 1 6 TRP C C -2.037 -3.685 -3.536 1.00 . A A . 6 TRP C 1 1 19 5532 1 1 6 TRP CA C -1.098 -3.228 -4.656 1.00 . A A . 6 TRP CA 1 1 19 5533 1 1 6 TRP CB C -1.235 -3.948 -6.015 1.00 . A A . 6 TRP CB 1 1 19 5534 1 1 6 TRP CD1 C -2.534 -6.108 -5.904 1.00 . A A . 6 TRP CD1 1 1 19 5535 1 1 6 TRP CD2 C -3.586 -4.446 -6.943 1.00 . A A . 6 TRP CD2 1 1 19 5536 1 1 6 TRP CE2 C -4.414 -5.572 -6.982 1.00 . A A . 6 TRP CE2 1 1 19 5537 1 1 6 TRP CE3 C -4.015 -3.273 -7.525 1.00 . A A . 6 TRP CE3 1 1 19 5538 1 1 6 TRP CG C -2.410 -4.806 -6.249 1.00 . A A . 6 TRP CG 1 1 19 5539 1 1 6 TRP CH2 C -6.058 -4.358 -8.165 1.00 . A A . 6 TRP CH2 1 1 19 5540 1 1 6 TRP CZ2 C -5.660 -5.548 -7.600 1.00 . A A . 6 TRP CZ2 1 1 19 5541 1 1 6 TRP CZ3 C -5.237 -3.227 -8.126 1.00 . A A . 6 TRP CZ3 1 1 19 5542 1 1 6 TRP H H 0.389 -4.156 -3.603 1.00 . A A . 6 TRP H 1 1 19 5543 1 1 6 TRP HA H -1.231 -2.168 -4.797 1.00 . A A . 6 TRP HA 1 1 19 5544 1 1 6 TRP HB2 H -1.245 -3.195 -6.789 1.00 . A A . 6 TRP HB2 1 1 19 5545 1 1 6 TRP HB3 H -0.346 -4.547 -6.157 1.00 . A A . 6 TRP HB3 1 1 19 5546 1 1 6 TRP HD1 H -1.754 -6.627 -5.361 1.00 . A A . 6 TRP HD1 1 1 19 5547 1 1 6 TRP HE1 H -4.080 -7.501 -6.208 1.00 . A A . 6 TRP HE1 1 1 19 5548 1 1 6 TRP HE3 H -3.398 -2.386 -7.507 1.00 . A A . 6 TRP HE3 1 1 19 5549 1 1 6 TRP HH2 H -7.017 -4.281 -8.656 1.00 . A A . 6 TRP HH2 1 1 19 5550 1 1 6 TRP HZ2 H -6.303 -6.416 -7.634 1.00 . A A . 6 TRP HZ2 1 1 19 5551 1 1 6 TRP HZ3 H -5.555 -2.280 -8.545 1.00 . A A . 6 TRP HZ3 1 1 19 5552 1 1 6 TRP N N 0.242 -3.422 -4.237 1.00 . A A . 6 TRP N 1 1 19 5553 1 1 6 TRP NE1 N -3.748 -6.589 -6.338 1.00 . A A . 6 TRP NE1 1 1 19 5554 1 1 6 TRP O O -1.722 -4.640 -2.832 1.00 . A A . 6 TRP O 1 1 19 5555 1 1 7 THR C C -5.141 -4.148 -2.644 1.00 . A A . 7 THR C 1 1 19 5556 1 1 7 THR CA C -3.999 -3.262 -2.211 1.00 . A A . 7 THR CA 1 1 19 5557 1 1 7 THR CB C -4.565 -1.954 -1.506 1.00 . A A . 7 THR CB 1 1 19 5558 1 1 7 THR CG2 C -3.444 -0.973 -1.262 1.00 . A A . 7 THR CG2 1 1 19 5559 1 1 7 THR H H -3.421 -2.258 -3.937 1.00 . A A . 7 THR H 1 1 19 5560 1 1 7 THR HA H -3.412 -3.803 -1.485 1.00 . A A . 7 THR HA 1 1 19 5561 1 1 7 THR HB H -4.997 -2.223 -0.554 1.00 . A A . 7 THR HB 1 1 19 5562 1 1 7 THR HG1 H -6.316 -1.871 -2.402 1.00 . A A . 7 THR HG1 1 1 19 5563 1 1 7 THR HG21 H -2.647 -1.445 -0.707 1.00 . A A . 7 THR HG21 1 1 19 5564 1 1 7 THR HG22 H -3.829 -0.111 -0.736 1.00 . A A . 7 THR HG22 1 1 19 5565 1 1 7 THR HG23 H -3.098 -0.653 -2.235 1.00 . A A . 7 THR HG23 1 1 19 5566 1 1 7 THR N N -3.131 -2.970 -3.323 1.00 . A A . 7 THR N 1 1 19 5567 1 1 7 THR O O -5.924 -3.784 -3.550 1.00 . A A . 7 THR O 1 1 19 5568 1 1 7 THR OG1 O -5.559 -1.270 -2.315 1.00 . A A . 7 THR OG1 1 1 19 5569 1 1 8 LYS C C -7.469 -5.602 -1.408 1.00 . A A . 8 LYS C 1 1 19 5570 1 1 8 LYS CA C -6.371 -6.130 -2.311 1.00 . A A . 8 LYS CA 1 1 19 5571 1 1 8 LYS CB C -6.064 -7.631 -2.036 1.00 . A A . 8 LYS CB 1 1 19 5572 1 1 8 LYS CD C -8.481 -8.516 -1.957 1.00 . A A . 8 LYS CD 1 1 19 5573 1 1 8 LYS CE C -9.493 -9.455 -2.582 1.00 . A A . 8 LYS CE 1 1 19 5574 1 1 8 LYS CG C -7.100 -8.643 -2.599 1.00 . A A . 8 LYS CG 1 1 19 5575 1 1 8 LYS H H -4.544 -5.586 -1.418 1.00 . A A . 8 LYS H 1 1 19 5576 1 1 8 LYS HA H -6.659 -5.983 -3.342 1.00 . A A . 8 LYS HA 1 1 19 5577 1 1 8 LYS HB2 H -5.103 -7.868 -2.467 1.00 . A A . 8 LYS HB2 1 1 19 5578 1 1 8 LYS HB3 H -6.004 -7.772 -0.966 1.00 . A A . 8 LYS HB3 1 1 19 5579 1 1 8 LYS HD2 H -8.400 -8.745 -0.904 1.00 . A A . 8 LYS HD2 1 1 19 5580 1 1 8 LYS HD3 H -8.825 -7.498 -2.074 1.00 . A A . 8 LYS HD3 1 1 19 5581 1 1 8 LYS HE2 H -9.542 -9.262 -3.643 1.00 . A A . 8 LYS HE2 1 1 19 5582 1 1 8 LYS HE3 H -9.176 -10.474 -2.414 1.00 . A A . 8 LYS HE3 1 1 19 5583 1 1 8 LYS HG2 H -7.203 -8.475 -3.661 1.00 . A A . 8 LYS HG2 1 1 19 5584 1 1 8 LYS HG3 H -6.725 -9.643 -2.436 1.00 . A A . 8 LYS HG3 1 1 19 5585 1 1 8 LYS HZ1 H -11.526 -9.918 -2.426 1.00 . A A . 8 LYS HZ1 1 1 19 5586 1 1 8 LYS HZ2 H -11.163 -8.286 -2.153 1.00 . A A . 8 LYS HZ2 1 1 19 5587 1 1 8 LYS HZ3 H -10.813 -9.438 -0.967 1.00 . A A . 8 LYS HZ3 1 1 19 5588 1 1 8 LYS N N -5.240 -5.307 -2.048 1.00 . A A . 8 LYS N 1 1 19 5589 1 1 8 LYS NZ N -10.845 -9.264 -1.992 1.00 . A A . 8 LYS NZ 1 1 19 5590 1 1 8 LYS O O -7.480 -5.840 -0.208 1.00 . A A . 8 LYS O 1 1 19 5591 1 1 9 SER C C -10.674 -4.383 -2.156 1.00 . A A . 9 SER C 1 1 19 5592 1 1 9 SER CA C -9.420 -4.259 -1.305 1.00 . A A . 9 SER CA 1 1 19 5593 1 1 9 SER CB C -9.003 -2.788 -1.069 1.00 . A A . 9 SER CB 1 1 19 5594 1 1 9 SER H H -8.288 -4.737 -2.958 1.00 . A A . 9 SER H 1 1 19 5595 1 1 9 SER HA H -9.567 -4.744 -0.351 1.00 . A A . 9 SER HA 1 1 19 5596 1 1 9 SER HB2 H -9.870 -2.204 -0.797 1.00 . A A . 9 SER HB2 1 1 19 5597 1 1 9 SER HB3 H -8.279 -2.746 -0.268 1.00 . A A . 9 SER HB3 1 1 19 5598 1 1 9 SER HG H -9.111 -1.801 -2.782 1.00 . A A . 9 SER HG 1 1 19 5599 1 1 9 SER N N -8.354 -4.893 -1.994 1.00 . A A . 9 SER N 1 1 19 5600 1 1 9 SER O O -10.777 -5.322 -2.973 1.00 . A A . 9 SER O 1 1 19 5601 1 1 9 SER OG O -8.414 -2.218 -2.252 1.00 . A A . 9 SER OG 1 1 19 5602 1 1 10 TYR C C -13.266 -1.990 -2.769 1.00 . A A . 10 TYR C 1 1 19 5603 1 1 10 TYR CA C -12.800 -3.447 -2.760 1.00 . A A . 10 TYR CA 1 1 19 5604 1 1 10 TYR CB C -13.908 -4.384 -2.243 1.00 . A A . 10 TYR CB 1 1 19 5605 1 1 10 TYR CD1 C -15.183 -5.073 -4.315 1.00 . A A . 10 TYR CD1 1 1 19 5606 1 1 10 TYR CD2 C -16.306 -3.711 -2.713 1.00 . A A . 10 TYR CD2 1 1 19 5607 1 1 10 TYR CE1 C -16.314 -5.079 -5.109 1.00 . A A . 10 TYR CE1 1 1 19 5608 1 1 10 TYR CE2 C -17.441 -3.711 -3.500 1.00 . A A . 10 TYR CE2 1 1 19 5609 1 1 10 TYR CG C -15.157 -4.391 -3.106 1.00 . A A . 10 TYR CG 1 1 19 5610 1 1 10 TYR CZ C -17.440 -4.396 -4.697 1.00 . A A . 10 TYR CZ 1 1 19 5611 1 1 10 TYR H H -11.576 -2.868 -1.208 1.00 . A A . 10 TYR H 1 1 19 5612 1 1 10 TYR HA H -12.499 -3.738 -3.760 1.00 . A A . 10 TYR HA 1 1 19 5613 1 1 10 TYR HB2 H -13.525 -5.393 -2.207 1.00 . A A . 10 TYR HB2 1 1 19 5614 1 1 10 TYR HB3 H -14.189 -4.077 -1.247 1.00 . A A . 10 TYR HB3 1 1 19 5615 1 1 10 TYR HD1 H -14.301 -5.607 -4.635 1.00 . A A . 10 TYR HD1 1 1 19 5616 1 1 10 TYR HD2 H -16.305 -3.176 -1.775 1.00 . A A . 10 TYR HD2 1 1 19 5617 1 1 10 TYR HE1 H -16.314 -5.615 -6.046 1.00 . A A . 10 TYR HE1 1 1 19 5618 1 1 10 TYR HE2 H -18.322 -3.177 -3.178 1.00 . A A . 10 TYR HE2 1 1 19 5619 1 1 10 TYR HH H -18.937 -3.512 -5.522 1.00 . A A . 10 TYR HH 1 1 19 5620 1 1 10 TYR N N -11.627 -3.518 -1.941 1.00 . A A . 10 TYR N 1 1 19 5621 1 1 10 TYR O O -13.764 -1.499 -1.768 1.00 . A A . 10 TYR O 1 1 19 5622 1 1 10 TYR OH O -18.567 -4.397 -5.486 1.00 . A A . 10 TYR OH 1 1 19 5623 1 1 11 PRO C C -10.835 -1.969 -4.821 1.00 . A A . 11 PRO C 1 1 19 5624 1 1 11 PRO CA C -12.352 -1.798 -5.038 1.00 . A A . 11 PRO CA 1 1 19 5625 1 1 11 PRO CB C -12.608 -0.765 -6.132 1.00 . A A . 11 PRO CB 1 1 19 5626 1 1 11 PRO CD C -13.424 0.125 -4.067 1.00 . A A . 11 PRO CD 1 1 19 5627 1 1 11 PRO CG C -13.591 0.203 -5.556 1.00 . A A . 11 PRO CG 1 1 19 5628 1 1 11 PRO HA H -12.816 -2.730 -5.325 1.00 . A A . 11 PRO HA 1 1 19 5629 1 1 11 PRO HB2 H -11.668 -0.308 -6.407 1.00 . A A . 11 PRO HB2 1 1 19 5630 1 1 11 PRO HB3 H -13.038 -1.296 -6.967 1.00 . A A . 11 PRO HB3 1 1 19 5631 1 1 11 PRO HD2 H -12.645 0.796 -3.735 1.00 . A A . 11 PRO HD2 1 1 19 5632 1 1 11 PRO HD3 H -14.355 0.339 -3.564 1.00 . A A . 11 PRO HD3 1 1 19 5633 1 1 11 PRO HG2 H -13.376 1.199 -5.915 1.00 . A A . 11 PRO HG2 1 1 19 5634 1 1 11 PRO HG3 H -14.597 -0.087 -5.821 1.00 . A A . 11 PRO HG3 1 1 19 5635 1 1 11 PRO N N -13.033 -1.268 -3.870 1.00 . A A . 11 PRO N 1 1 19 5636 1 1 11 PRO O O -10.212 -1.213 -4.057 1.00 . A A . 11 PRO O 1 1 19 5637 1 1 12 PRO C C -8.059 -2.171 -6.167 1.00 . A A . 12 PRO C 1 1 19 5638 1 1 12 PRO CA C -8.809 -3.247 -5.367 1.00 . A A . 12 PRO CA 1 1 19 5639 1 1 12 PRO CB C -8.642 -4.637 -6.004 1.00 . A A . 12 PRO CB 1 1 19 5640 1 1 12 PRO CD C -10.948 -4.012 -6.213 1.00 . A A . 12 PRO CD 1 1 19 5641 1 1 12 PRO CG C -10.018 -5.185 -6.181 1.00 . A A . 12 PRO CG 1 1 19 5642 1 1 12 PRO HA H -8.452 -3.245 -4.347 1.00 . A A . 12 PRO HA 1 1 19 5643 1 1 12 PRO HB2 H -8.136 -4.536 -6.954 1.00 . A A . 12 PRO HB2 1 1 19 5644 1 1 12 PRO HB3 H -8.079 -5.284 -5.349 1.00 . A A . 12 PRO HB3 1 1 19 5645 1 1 12 PRO HD2 H -11.131 -3.651 -7.209 1.00 . A A . 12 PRO HD2 1 1 19 5646 1 1 12 PRO HD3 H -11.900 -4.245 -5.766 1.00 . A A . 12 PRO HD3 1 1 19 5647 1 1 12 PRO HG2 H -10.074 -5.740 -7.106 1.00 . A A . 12 PRO HG2 1 1 19 5648 1 1 12 PRO HG3 H -10.273 -5.821 -5.346 1.00 . A A . 12 PRO HG3 1 1 19 5649 1 1 12 PRO N N -10.251 -3.003 -5.422 1.00 . A A . 12 PRO N 1 1 19 5650 1 1 12 PRO O O -8.479 -1.804 -7.264 1.00 . A A . 12 PRO O 1 1 19 5651 1 1 13 LYS C C -4.791 -0.638 -5.824 1.00 . A A . 13 LYS C 1 1 19 5652 1 1 13 LYS CA C -6.289 -0.527 -6.199 1.00 . A A . 13 LYS CA 1 1 19 5653 1 1 13 LYS CB C -6.991 0.700 -5.574 1.00 . A A . 13 LYS CB 1 1 19 5654 1 1 13 LYS CD C -5.269 2.592 -5.452 1.00 . A A . 13 LYS CD 1 1 19 5655 1 1 13 LYS CE C -5.294 2.790 -3.911 1.00 . A A . 13 LYS CE 1 1 19 5656 1 1 13 LYS CG C -6.594 2.101 -6.029 1.00 . A A . 13 LYS CG 1 1 19 5657 1 1 13 LYS H H -6.575 -2.072 -4.814 1.00 . A A . 13 LYS H 1 1 19 5658 1 1 13 LYS HA H -6.423 -0.524 -7.269 1.00 . A A . 13 LYS HA 1 1 19 5659 1 1 13 LYS HB2 H -8.056 0.595 -5.722 1.00 . A A . 13 LYS HB2 1 1 19 5660 1 1 13 LYS HB3 H -6.781 0.592 -4.525 1.00 . A A . 13 LYS HB3 1 1 19 5661 1 1 13 LYS HD2 H -4.553 1.818 -5.698 1.00 . A A . 13 LYS HD2 1 1 19 5662 1 1 13 LYS HD3 H -4.989 3.514 -5.941 1.00 . A A . 13 LYS HD3 1 1 19 5663 1 1 13 LYS HE2 H -4.483 3.450 -3.638 1.00 . A A . 13 LYS HE2 1 1 19 5664 1 1 13 LYS HE3 H -6.228 3.262 -3.646 1.00 . A A . 13 LYS HE3 1 1 19 5665 1 1 13 LYS HG2 H -6.523 2.111 -7.105 1.00 . A A . 13 LYS HG2 1 1 19 5666 1 1 13 LYS HG3 H -7.377 2.783 -5.730 1.00 . A A . 13 LYS HG3 1 1 19 5667 1 1 13 LYS HZ1 H -5.912 0.826 -3.245 1.00 . A A . 13 LYS HZ1 1 1 19 5668 1 1 13 LYS HZ2 H -5.056 1.724 -2.109 1.00 . A A . 13 LYS HZ2 1 1 19 5669 1 1 13 LYS HZ3 H -4.276 1.033 -3.431 1.00 . A A . 13 LYS HZ3 1 1 19 5670 1 1 13 LYS N N -6.973 -1.665 -5.617 1.00 . A A . 13 LYS N 1 1 19 5671 1 1 13 LYS NZ N -5.147 1.518 -3.123 1.00 . A A . 13 LYS NZ 1 1 19 5672 1 1 13 LYS O O -4.496 -1.174 -4.789 1.00 . A A . 13 LYS O 1 1 19 5673 1 1 14 PRO C C -1.957 0.441 -5.020 1.00 . A A . 14 PRO C 1 1 19 5674 1 1 14 PRO CA C -2.364 -0.267 -6.345 1.00 . A A . 14 PRO CA 1 1 19 5675 1 1 14 PRO CB C -1.690 0.401 -7.552 1.00 . A A . 14 PRO CB 1 1 19 5676 1 1 14 PRO CD C -4.037 0.439 -7.987 1.00 . A A . 14 PRO CD 1 1 19 5677 1 1 14 PRO CG C -2.766 1.210 -8.198 1.00 . A A . 14 PRO CG 1 1 19 5678 1 1 14 PRO HA H -2.059 -1.299 -6.285 1.00 . A A . 14 PRO HA 1 1 19 5679 1 1 14 PRO HB2 H -0.862 1.003 -7.210 1.00 . A A . 14 PRO HB2 1 1 19 5680 1 1 14 PRO HB3 H -1.341 -0.351 -8.245 1.00 . A A . 14 PRO HB3 1 1 19 5681 1 1 14 PRO HD2 H -4.888 1.104 -7.981 1.00 . A A . 14 PRO HD2 1 1 19 5682 1 1 14 PRO HD3 H -4.153 -0.322 -8.744 1.00 . A A . 14 PRO HD3 1 1 19 5683 1 1 14 PRO HG2 H -2.822 2.180 -7.726 1.00 . A A . 14 PRO HG2 1 1 19 5684 1 1 14 PRO HG3 H -2.577 1.310 -9.256 1.00 . A A . 14 PRO HG3 1 1 19 5685 1 1 14 PRO N N -3.824 -0.170 -6.661 1.00 . A A . 14 PRO N 1 1 19 5686 1 1 14 PRO O O -2.804 0.961 -4.285 1.00 . A A . 14 PRO O 1 1 19 5687 1 1 15 CYS C C -0.140 2.577 -3.714 1.00 . A A . 15 CYS C 1 1 19 5688 1 1 15 CYS CA C -0.265 1.086 -3.494 1.00 . A A . 15 CYS CA 1 1 19 5689 1 1 15 CYS CB C 1.045 0.474 -2.950 1.00 . A A . 15 CYS CB 1 1 19 5690 1 1 15 CYS H H 0.005 0.043 -5.249 1.00 . A A . 15 CYS H 1 1 19 5691 1 1 15 CYS HA H -1.046 0.928 -2.764 1.00 . A A . 15 CYS HA 1 1 19 5692 1 1 15 CYS HB2 H 1.337 1.005 -2.057 1.00 . A A . 15 CYS HB2 1 1 19 5693 1 1 15 CYS HB3 H 0.856 -0.559 -2.697 1.00 . A A . 15 CYS HB3 1 1 19 5694 1 1 15 CYS N N -0.692 0.445 -4.691 1.00 . A A . 15 CYS N 1 1 19 5695 1 1 15 CYS O O -0.331 3.079 -4.821 1.00 . A A . 15 CYS O 1 1 19 5696 1 1 15 CYS SG S 2.466 0.521 -4.097 1.00 . A A . 15 CYS SG 1 1 19 5697 1 1 16 PHE C C 1.729 5.041 -2.903 1.00 . A A . 16 PHE C 1 1 19 5698 1 1 16 PHE CA C 0.274 4.692 -2.699 1.00 . A A . 16 PHE CA 1 1 19 5699 1 1 16 PHE CB C -0.250 5.313 -1.396 1.00 . A A . 16 PHE CB 1 1 19 5700 1 1 16 PHE CD1 C -2.685 5.868 -1.676 1.00 . A A . 16 PHE CD1 1 1 19 5701 1 1 16 PHE CD2 C -2.105 3.974 -0.348 1.00 . A A . 16 PHE CD2 1 1 19 5702 1 1 16 PHE CE1 C -4.025 5.626 -1.440 1.00 . A A . 16 PHE CE1 1 1 19 5703 1 1 16 PHE CE2 C -3.443 3.727 -0.107 1.00 . A A . 16 PHE CE2 1 1 19 5704 1 1 16 PHE CG C -1.710 5.046 -1.135 1.00 . A A . 16 PHE CG 1 1 19 5705 1 1 16 PHE CZ C -4.404 4.554 -0.654 1.00 . A A . 16 PHE CZ 1 1 19 5706 1 1 16 PHE H H 0.273 2.754 -1.849 1.00 . A A . 16 PHE H 1 1 19 5707 1 1 16 PHE HA H -0.303 5.072 -3.529 1.00 . A A . 16 PHE HA 1 1 19 5708 1 1 16 PHE HB2 H 0.313 4.911 -0.566 1.00 . A A . 16 PHE HB2 1 1 19 5709 1 1 16 PHE HB3 H -0.104 6.383 -1.433 1.00 . A A . 16 PHE HB3 1 1 19 5710 1 1 16 PHE HD1 H -2.390 6.705 -2.292 1.00 . A A . 16 PHE HD1 1 1 19 5711 1 1 16 PHE HD2 H -1.355 3.326 0.081 1.00 . A A . 16 PHE HD2 1 1 19 5712 1 1 16 PHE HE1 H -4.776 6.274 -1.868 1.00 . A A . 16 PHE HE1 1 1 19 5713 1 1 16 PHE HE2 H -3.737 2.889 0.507 1.00 . A A . 16 PHE HE2 1 1 19 5714 1 1 16 PHE HZ H -5.452 4.363 -0.468 1.00 . A A . 16 PHE HZ 1 1 19 5715 1 1 16 PHE N N 0.131 3.258 -2.670 1.00 . A A . 16 PHE N 1 1 19 5716 1 1 16 PHE O O 2.613 4.222 -2.613 1.00 . A A . 16 PHE O 1 1 19 5717 1 1 17 VAL C C 3.914 7.252 -2.360 1.00 . A A . 17 VAL C 1 1 19 5718 1 1 17 VAL CA C 3.331 6.671 -3.641 1.00 . A A . 17 VAL CA 1 1 19 5719 1 1 17 VAL CB C 3.420 7.710 -4.801 1.00 . A A . 17 VAL CB 1 1 19 5720 1 1 17 VAL CG1 C 4.873 8.086 -5.096 1.00 . A A . 17 VAL CG1 1 1 19 5721 1 1 17 VAL CG2 C 2.746 7.174 -6.060 1.00 . A A . 17 VAL CG2 1 1 19 5722 1 1 17 VAL H H 1.240 6.833 -3.603 1.00 . A A . 17 VAL H 1 1 19 5723 1 1 17 VAL HA H 3.910 5.799 -3.906 1.00 . A A . 17 VAL HA 1 1 19 5724 1 1 17 VAL HB H 2.900 8.604 -4.490 1.00 . A A . 17 VAL HB 1 1 19 5725 1 1 17 VAL HG11 H 4.904 8.804 -5.901 1.00 . A A . 17 VAL HG11 1 1 19 5726 1 1 17 VAL HG12 H 5.423 7.202 -5.382 1.00 . A A . 17 VAL HG12 1 1 19 5727 1 1 17 VAL HG13 H 5.320 8.515 -4.211 1.00 . A A . 17 VAL HG13 1 1 19 5728 1 1 17 VAL HG21 H 1.708 6.963 -5.849 1.00 . A A . 17 VAL HG21 1 1 19 5729 1 1 17 VAL HG22 H 3.240 6.266 -6.373 1.00 . A A . 17 VAL HG22 1 1 19 5730 1 1 17 VAL HG23 H 2.812 7.910 -6.847 1.00 . A A . 17 VAL HG23 1 1 19 5731 1 1 17 VAL N N 1.981 6.227 -3.401 1.00 . A A . 17 VAL N 1 1 19 5732 1 1 17 VAL O O 3.749 8.436 -2.061 1.00 . A A . 17 VAL O 1 1 19 5733 1 1 18 ARG C C 5.889 5.451 0.061 1.00 . A A . 18 ARG C 1 1 19 5734 1 1 18 ARG CA C 5.144 6.692 -0.345 1.00 . A A . 18 ARG CA 1 1 19 5735 1 1 18 ARG CB C 4.145 7.088 0.752 1.00 . A A . 18 ARG CB 1 1 19 5736 1 1 18 ARG CD C 3.786 7.784 3.131 1.00 . A A . 18 ARG CD 1 1 19 5737 1 1 18 ARG CG C 4.806 7.418 2.077 1.00 . A A . 18 ARG CG 1 1 19 5738 1 1 18 ARG CZ C 3.810 8.590 5.503 1.00 . A A . 18 ARG CZ 1 1 19 5739 1 1 18 ARG H H 4.453 5.427 -1.821 1.00 . A A . 18 ARG H 1 1 19 5740 1 1 18 ARG HA H 5.845 7.494 -0.523 1.00 . A A . 18 ARG HA 1 1 19 5741 1 1 18 ARG HB2 H 3.590 7.954 0.423 1.00 . A A . 18 ARG HB2 1 1 19 5742 1 1 18 ARG HB3 H 3.459 6.268 0.909 1.00 . A A . 18 ARG HB3 1 1 19 5743 1 1 18 ARG HD2 H 3.250 8.664 2.808 1.00 . A A . 18 ARG HD2 1 1 19 5744 1 1 18 ARG HD3 H 3.095 6.963 3.251 1.00 . A A . 18 ARG HD3 1 1 19 5745 1 1 18 ARG HE H 5.375 7.808 4.440 1.00 . A A . 18 ARG HE 1 1 19 5746 1 1 18 ARG HG2 H 5.361 6.555 2.415 1.00 . A A . 18 ARG HG2 1 1 19 5747 1 1 18 ARG HG3 H 5.483 8.248 1.935 1.00 . A A . 18 ARG HG3 1 1 19 5748 1 1 18 ARG HH11 H 1.991 8.786 4.593 1.00 . A A . 18 ARG HH11 1 1 19 5749 1 1 18 ARG HH12 H 2.006 9.321 6.207 1.00 . A A . 18 ARG HH12 1 1 19 5750 1 1 18 ARG HH21 H 5.464 8.543 6.719 1.00 . A A . 18 ARG HH21 1 1 19 5751 1 1 18 ARG HH22 H 4.075 9.175 7.462 1.00 . A A . 18 ARG HH22 1 1 19 5752 1 1 18 ARG N N 4.479 6.377 -1.580 1.00 . A A . 18 ARG N 1 1 19 5753 1 1 18 ARG NE N 4.425 8.063 4.432 1.00 . A A . 18 ARG NE 1 1 19 5754 1 1 18 ARG NH1 N 2.512 8.926 5.437 1.00 . A A . 18 ARG NH1 1 1 19 5755 1 1 18 ARG NH2 N 4.493 8.784 6.639 1.00 . A A . 18 ARG NH2 1 1 19 5756 1 1 18 ARG O O 7.062 5.325 -0.281 1.00 . A A . 18 ARG O 1 1 19 5757 1 1 18 ARG OXT O 5.244 4.528 0.589 1.00 . A A . 18 ARG OXT 1 1 20 5758 1 1 1 LEU C C 10.796 -3.221 -2.399 1.00 . A A . 1 LEU C 1 1 20 5759 1 1 1 LEU CA C 12.249 -3.157 -2.011 1.00 . A A . 1 LEU CA 1 1 20 5760 1 1 1 LEU CB C 12.873 -1.799 -2.464 1.00 . A A . 1 LEU CB 1 1 20 5761 1 1 1 LEU CD1 C 13.143 0.075 -4.124 1.00 . A A . 1 LEU CD1 1 1 20 5762 1 1 1 LEU CD2 C 13.597 -2.242 -4.878 1.00 . A A . 1 LEU CD2 1 1 20 5763 1 1 1 LEU CG C 12.735 -1.379 -3.957 1.00 . A A . 1 LEU CG 1 1 20 5764 1 1 1 LEU H1 H 12.497 -5.176 -2.207 1.00 . A A . 1 LEU H1 1 1 20 5765 1 1 1 LEU HA H 12.315 -3.257 -0.936 1.00 . A A . 1 LEU HA 1 1 20 5766 1 1 1 LEU HB2 H 12.423 -1.019 -1.868 1.00 . A A . 1 LEU HB2 1 1 20 5767 1 1 1 LEU HB3 H 13.924 -1.829 -2.223 1.00 . A A . 1 LEU HB3 1 1 20 5768 1 1 1 LEU HD11 H 12.506 0.702 -3.516 1.00 . A A . 1 LEU HD11 1 1 20 5769 1 1 1 LEU HD12 H 13.039 0.358 -5.162 1.00 . A A . 1 LEU HD12 1 1 20 5770 1 1 1 LEU HD13 H 14.170 0.199 -3.819 1.00 . A A . 1 LEU HD13 1 1 20 5771 1 1 1 LEU HD21 H 13.498 -1.887 -5.893 1.00 . A A . 1 LEU HD21 1 1 20 5772 1 1 1 LEU HD22 H 13.281 -3.273 -4.825 1.00 . A A . 1 LEU HD22 1 1 20 5773 1 1 1 LEU HD23 H 14.631 -2.168 -4.574 1.00 . A A . 1 LEU HD23 1 1 20 5774 1 1 1 LEU HG H 11.701 -1.474 -4.256 1.00 . A A . 1 LEU HG 1 1 20 5775 1 1 1 LEU N N 12.925 -4.318 -2.609 1.00 . A A . 1 LEU N 1 1 20 5776 1 1 1 LEU O O 10.451 -4.002 -3.276 1.00 . A A . 1 LEU O 1 1 20 5777 1 1 2 VAL C C 8.237 -1.374 -3.123 1.00 . A A . 2 VAL C 1 1 20 5778 1 1 2 VAL CA C 8.543 -2.431 -2.071 1.00 . A A . 2 VAL CA 1 1 20 5779 1 1 2 VAL CB C 7.688 -2.155 -0.798 1.00 . A A . 2 VAL CB 1 1 20 5780 1 1 2 VAL CG1 C 6.195 -2.224 -1.110 1.00 . A A . 2 VAL CG1 1 1 20 5781 1 1 2 VAL CG2 C 8.045 -3.132 0.316 1.00 . A A . 2 VAL CG2 1 1 20 5782 1 1 2 VAL H H 10.268 -1.777 -1.104 1.00 . A A . 2 VAL H 1 1 20 5783 1 1 2 VAL HA H 8.287 -3.404 -2.463 1.00 . A A . 2 VAL HA 1 1 20 5784 1 1 2 VAL HB H 7.913 -1.155 -0.459 1.00 . A A . 2 VAL HB 1 1 20 5785 1 1 2 VAL HG11 H 5.948 -1.486 -1.858 1.00 . A A . 2 VAL HG11 1 1 20 5786 1 1 2 VAL HG12 H 5.629 -2.030 -0.210 1.00 . A A . 2 VAL HG12 1 1 20 5787 1 1 2 VAL HG13 H 5.952 -3.210 -1.481 1.00 . A A . 2 VAL HG13 1 1 20 5788 1 1 2 VAL HG21 H 7.445 -2.915 1.188 1.00 . A A . 2 VAL HG21 1 1 20 5789 1 1 2 VAL HG22 H 9.091 -3.028 0.566 1.00 . A A . 2 VAL HG22 1 1 20 5790 1 1 2 VAL HG23 H 7.851 -4.142 -0.013 1.00 . A A . 2 VAL HG23 1 1 20 5791 1 1 2 VAL N N 9.963 -2.423 -1.775 1.00 . A A . 2 VAL N 1 1 20 5792 1 1 2 VAL O O 8.496 -0.200 -2.915 1.00 . A A . 2 VAL O 1 1 20 5793 1 1 3 ARG C C 6.109 -1.499 -6.006 1.00 . A A . 3 ARG C 1 1 20 5794 1 1 3 ARG CA C 7.350 -0.939 -5.349 1.00 . A A . 3 ARG CA 1 1 20 5795 1 1 3 ARG CB C 8.469 -0.719 -6.386 1.00 . A A . 3 ARG CB 1 1 20 5796 1 1 3 ARG CD C 9.055 1.634 -5.683 1.00 . A A . 3 ARG CD 1 1 20 5797 1 1 3 ARG CG C 9.589 0.222 -5.933 1.00 . A A . 3 ARG CG 1 1 20 5798 1 1 3 ARG CZ C 9.837 3.812 -4.762 1.00 . A A . 3 ARG CZ 1 1 20 5799 1 1 3 ARG H H 7.668 -2.780 -4.400 1.00 . A A . 3 ARG H 1 1 20 5800 1 1 3 ARG HA H 7.084 0.007 -4.903 1.00 . A A . 3 ARG HA 1 1 20 5801 1 1 3 ARG HB2 H 8.909 -1.679 -6.617 1.00 . A A . 3 ARG HB2 1 1 20 5802 1 1 3 ARG HB3 H 8.017 -0.322 -7.279 1.00 . A A . 3 ARG HB3 1 1 20 5803 1 1 3 ARG HD2 H 8.671 2.031 -6.610 1.00 . A A . 3 ARG HD2 1 1 20 5804 1 1 3 ARG HD3 H 8.256 1.590 -4.959 1.00 . A A . 3 ARG HD3 1 1 20 5805 1 1 3 ARG HE H 10.993 2.183 -5.125 1.00 . A A . 3 ARG HE 1 1 20 5806 1 1 3 ARG HG2 H 10.016 -0.156 -5.016 1.00 . A A . 3 ARG HG2 1 1 20 5807 1 1 3 ARG HG3 H 10.349 0.262 -6.699 1.00 . A A . 3 ARG HG3 1 1 20 5808 1 1 3 ARG HH11 H 7.829 3.890 -5.282 1.00 . A A . 3 ARG HH11 1 1 20 5809 1 1 3 ARG HH12 H 8.502 5.275 -4.551 1.00 . A A . 3 ARG HH12 1 1 20 5810 1 1 3 ARG HH21 H 11.744 4.295 -4.097 1.00 . A A . 3 ARG HH21 1 1 20 5811 1 1 3 ARG HH22 H 10.512 5.488 -3.929 1.00 . A A . 3 ARG HH22 1 1 20 5812 1 1 3 ARG N N 7.765 -1.817 -4.268 1.00 . A A . 3 ARG N 1 1 20 5813 1 1 3 ARG NE N 10.087 2.553 -5.177 1.00 . A A . 3 ARG NE 1 1 20 5814 1 1 3 ARG NH1 N 8.637 4.329 -4.891 1.00 . A A . 3 ARG NH1 1 1 20 5815 1 1 3 ARG NH2 N 10.792 4.562 -4.234 1.00 . A A . 3 ARG NH2 1 1 20 5816 1 1 3 ARG O O 5.105 -0.807 -6.136 1.00 . A A . 3 ARG O 1 1 20 5817 1 1 4 GLY C C 4.031 -3.808 -5.913 1.00 . A A . 4 GLY C 1 1 20 5818 1 1 4 GLY CA C 5.025 -3.417 -6.982 1.00 . A A . 4 GLY CA 1 1 20 5819 1 1 4 GLY H H 7.004 -3.274 -6.313 1.00 . A A . 4 GLY H 1 1 20 5820 1 1 4 GLY HA2 H 4.553 -2.745 -7.683 1.00 . A A . 4 GLY HA2 1 1 20 5821 1 1 4 GLY HA3 H 5.347 -4.307 -7.503 1.00 . A A . 4 GLY HA3 1 1 20 5822 1 1 4 GLY N N 6.175 -2.764 -6.399 1.00 . A A . 4 GLY N 1 1 20 5823 1 1 4 GLY O O 3.998 -4.947 -5.465 1.00 . A A . 4 GLY O 1 1 20 5824 1 1 5 CYS C C 0.961 -2.645 -4.923 1.00 . A A . 5 CYS C 1 1 20 5825 1 1 5 CYS CA C 2.288 -3.076 -4.461 1.00 . A A . 5 CYS CA 1 1 20 5826 1 1 5 CYS CB C 2.697 -2.366 -3.183 1.00 . A A . 5 CYS CB 1 1 20 5827 1 1 5 CYS H H 3.327 -1.966 -5.893 1.00 . A A . 5 CYS H 1 1 20 5828 1 1 5 CYS HA H 2.150 -4.123 -4.245 1.00 . A A . 5 CYS HA 1 1 20 5829 1 1 5 CYS HB2 H 3.681 -2.721 -2.966 1.00 . A A . 5 CYS HB2 1 1 20 5830 1 1 5 CYS HB3 H 2.815 -1.307 -3.329 1.00 . A A . 5 CYS HB3 1 1 20 5831 1 1 5 CYS N N 3.252 -2.860 -5.491 1.00 . A A . 5 CYS N 1 1 20 5832 1 1 5 CYS O O 0.819 -1.647 -5.626 1.00 . A A . 5 CYS O 1 1 20 5833 1 1 5 CYS SG S 1.624 -2.681 -1.723 1.00 . A A . 5 CYS SG 1 1 20 5834 1 1 6 TRP C C -2.233 -3.777 -3.814 1.00 . A A . 6 TRP C 1 1 20 5835 1 1 6 TRP CA C -1.337 -3.222 -4.924 1.00 . A A . 6 TRP CA 1 1 20 5836 1 1 6 TRP CB C -1.460 -3.832 -6.330 1.00 . A A . 6 TRP CB 1 1 20 5837 1 1 6 TRP CD1 C -2.794 -5.950 -6.511 1.00 . A A . 6 TRP CD1 1 1 20 5838 1 1 6 TRP CD2 C -3.815 -4.148 -7.318 1.00 . A A . 6 TRP CD2 1 1 20 5839 1 1 6 TRP CE2 C -4.657 -5.246 -7.518 1.00 . A A . 6 TRP CE2 1 1 20 5840 1 1 6 TRP CE3 C -4.224 -2.898 -7.735 1.00 . A A . 6 TRP CE3 1 1 20 5841 1 1 6 TRP CG C -2.649 -4.619 -6.677 1.00 . A A . 6 TRP CG 1 1 20 5842 1 1 6 TRP CH2 C -6.278 -3.862 -8.533 1.00 . A A . 6 TRP CH2 1 1 20 5843 1 1 6 TRP CZ2 C -5.898 -5.122 -8.135 1.00 . A A . 6 TRP CZ2 1 1 20 5844 1 1 6 TRP CZ3 C -5.443 -2.755 -8.332 1.00 . A A . 6 TRP CZ3 1 1 20 5845 1 1 6 TRP H H 0.193 -4.129 -3.913 1.00 . A A . 6 TRP H 1 1 20 5846 1 1 6 TRP HA H -1.502 -2.159 -4.967 1.00 . A A . 6 TRP HA 1 1 20 5847 1 1 6 TRP HB2 H -1.423 -3.014 -7.036 1.00 . A A . 6 TRP HB2 1 1 20 5848 1 1 6 TRP HB3 H -0.585 -4.444 -6.497 1.00 . A A . 6 TRP HB3 1 1 20 5849 1 1 6 TRP HD1 H -2.015 -6.536 -6.038 1.00 . A A . 6 TRP HD1 1 1 20 5850 1 1 6 TRP HE1 H -4.380 -7.260 -7.031 1.00 . A A . 6 TRP HE1 1 1 20 5851 1 1 6 TRP HE3 H -3.595 -2.033 -7.589 1.00 . A A . 6 TRP HE3 1 1 20 5852 1 1 6 TRP HH2 H -7.235 -3.711 -9.009 1.00 . A A . 6 TRP HH2 1 1 20 5853 1 1 6 TRP HZ2 H -6.547 -5.970 -8.292 1.00 . A A . 6 TRP HZ2 1 1 20 5854 1 1 6 TRP HZ3 H -5.748 -1.756 -8.619 1.00 . A A . 6 TRP HZ3 1 1 20 5855 1 1 6 TRP N N -0.001 -3.404 -4.538 1.00 . A A . 6 TRP N 1 1 20 5856 1 1 6 TRP NE1 N -4.011 -6.352 -7.015 1.00 . A A . 6 TRP NE1 1 1 20 5857 1 1 6 TRP O O -2.034 -4.934 -3.367 1.00 . A A . 6 TRP O 1 1 20 5858 1 1 7 THR C C -5.098 -4.168 -2.515 1.00 . A A . 7 THR C 1 1 20 5859 1 1 7 THR CA C -3.937 -3.261 -2.162 1.00 . A A . 7 THR CA 1 1 20 5860 1 1 7 THR CB C -4.475 -1.961 -1.420 1.00 . A A . 7 THR CB 1 1 20 5861 1 1 7 THR CG2 C -3.357 -0.933 -1.221 1.00 . A A . 7 THR CG2 1 1 20 5862 1 1 7 THR H H -3.383 -2.108 -3.791 1.00 . A A . 7 THR H 1 1 20 5863 1 1 7 THR HA H -3.291 -3.792 -1.479 1.00 . A A . 7 THR HA 1 1 20 5864 1 1 7 THR HB H -4.853 -2.249 -0.451 1.00 . A A . 7 THR HB 1 1 20 5865 1 1 7 THR HG1 H -6.370 -1.635 -1.799 1.00 . A A . 7 THR HG1 1 1 20 5866 1 1 7 THR HG21 H -2.544 -1.362 -0.655 1.00 . A A . 7 THR HG21 1 1 20 5867 1 1 7 THR HG22 H -3.744 -0.070 -0.701 1.00 . A A . 7 THR HG22 1 1 20 5868 1 1 7 THR HG23 H -2.993 -0.604 -2.184 1.00 . A A . 7 THR HG23 1 1 20 5869 1 1 7 THR N N -3.156 -2.952 -3.334 1.00 . A A . 7 THR N 1 1 20 5870 1 1 7 THR O O -5.770 -3.984 -3.546 1.00 . A A . 7 THR O 1 1 20 5871 1 1 7 THR OG1 O -5.529 -1.323 -2.162 1.00 . A A . 7 THR OG1 1 1 20 5872 1 1 8 LYS C C -7.556 -5.467 -1.080 1.00 . A A . 8 LYS C 1 1 20 5873 1 1 8 LYS CA C -6.415 -6.054 -1.856 1.00 . A A . 8 LYS CA 1 1 20 5874 1 1 8 LYS CB C -6.081 -7.499 -1.381 1.00 . A A . 8 LYS CB 1 1 20 5875 1 1 8 LYS CD C -3.653 -7.620 -2.174 1.00 . A A . 8 LYS CD 1 1 20 5876 1 1 8 LYS CE C -2.673 -8.274 -3.130 1.00 . A A . 8 LYS CE 1 1 20 5877 1 1 8 LYS CG C -5.038 -8.255 -2.239 1.00 . A A . 8 LYS CG 1 1 20 5878 1 1 8 LYS H H -4.738 -5.266 -0.901 1.00 . A A . 8 LYS H 1 1 20 5879 1 1 8 LYS HA H -6.674 -6.057 -2.904 1.00 . A A . 8 LYS HA 1 1 20 5880 1 1 8 LYS HB2 H -5.704 -7.447 -0.371 1.00 . A A . 8 LYS HB2 1 1 20 5881 1 1 8 LYS HB3 H -6.995 -8.075 -1.376 1.00 . A A . 8 LYS HB3 1 1 20 5882 1 1 8 LYS HD2 H -3.739 -6.574 -2.430 1.00 . A A . 8 LYS HD2 1 1 20 5883 1 1 8 LYS HD3 H -3.276 -7.709 -1.166 1.00 . A A . 8 LYS HD3 1 1 20 5884 1 1 8 LYS HE2 H -2.529 -9.304 -2.840 1.00 . A A . 8 LYS HE2 1 1 20 5885 1 1 8 LYS HE3 H -3.081 -8.234 -4.130 1.00 . A A . 8 LYS HE3 1 1 20 5886 1 1 8 LYS HG2 H -4.965 -9.271 -1.881 1.00 . A A . 8 LYS HG2 1 1 20 5887 1 1 8 LYS HG3 H -5.376 -8.265 -3.266 1.00 . A A . 8 LYS HG3 1 1 20 5888 1 1 8 LYS HZ1 H -0.724 -7.950 -3.845 1.00 . A A . 8 LYS HZ1 1 1 20 5889 1 1 8 LYS HZ2 H -0.914 -7.644 -2.182 1.00 . A A . 8 LYS HZ2 1 1 20 5890 1 1 8 LYS HZ3 H -1.533 -6.560 -3.305 1.00 . A A . 8 LYS HZ3 1 1 20 5891 1 1 8 LYS N N -5.313 -5.158 -1.686 1.00 . A A . 8 LYS N 1 1 20 5892 1 1 8 LYS NZ N -1.362 -7.575 -3.116 1.00 . A A . 8 LYS NZ 1 1 20 5893 1 1 8 LYS O O -7.546 -5.446 0.146 1.00 . A A . 8 LYS O 1 1 20 5894 1 1 9 SER C C -10.736 -4.377 -2.183 1.00 . A A . 9 SER C 1 1 20 5895 1 1 9 SER CA C -9.575 -4.203 -1.223 1.00 . A A . 9 SER CA 1 1 20 5896 1 1 9 SER CB C -9.188 -2.711 -1.110 1.00 . A A . 9 SER CB 1 1 20 5897 1 1 9 SER H H -8.439 -4.958 -2.767 1.00 . A A . 9 SER H 1 1 20 5898 1 1 9 SER HA H -9.809 -4.597 -0.245 1.00 . A A . 9 SER HA 1 1 20 5899 1 1 9 SER HB2 H -9.114 -2.282 -2.098 1.00 . A A . 9 SER HB2 1 1 20 5900 1 1 9 SER HB3 H -9.946 -2.186 -0.546 1.00 . A A . 9 SER HB3 1 1 20 5901 1 1 9 SER HG H -7.792 -3.376 0.053 1.00 . A A . 9 SER HG 1 1 20 5902 1 1 9 SER N N -8.468 -4.905 -1.788 1.00 . A A . 9 SER N 1 1 20 5903 1 1 9 SER O O -10.666 -5.230 -3.070 1.00 . A A . 9 SER O 1 1 20 5904 1 1 9 SER OG O -7.929 -2.559 -0.444 1.00 . A A . 9 SER OG 1 1 20 5905 1 1 10 TYR C C -13.412 -2.216 -3.087 1.00 . A A . 10 TYR C 1 1 20 5906 1 1 10 TYR CA C -12.869 -3.637 -2.950 1.00 . A A . 10 TYR CA 1 1 20 5907 1 1 10 TYR CB C -13.970 -4.615 -2.494 1.00 . A A . 10 TYR CB 1 1 20 5908 1 1 10 TYR CD1 C -15.009 -5.481 -4.633 1.00 . A A . 10 TYR CD1 1 1 20 5909 1 1 10 TYR CD2 C -16.346 -4.106 -3.217 1.00 . A A . 10 TYR CD2 1 1 20 5910 1 1 10 TYR CE1 C -16.059 -5.593 -5.523 1.00 . A A . 10 TYR CE1 1 1 20 5911 1 1 10 TYR CE2 C -17.402 -4.214 -4.103 1.00 . A A . 10 TYR CE2 1 1 20 5912 1 1 10 TYR CG C -15.131 -4.738 -3.465 1.00 . A A . 10 TYR CG 1 1 20 5913 1 1 10 TYR CZ C -17.252 -4.958 -5.253 1.00 . A A . 10 TYR CZ 1 1 20 5914 1 1 10 TYR H H -11.840 -2.978 -1.277 1.00 . A A . 10 TYR H 1 1 20 5915 1 1 10 TYR HA H -12.457 -3.962 -3.899 1.00 . A A . 10 TYR HA 1 1 20 5916 1 1 10 TYR HB2 H -13.538 -5.598 -2.375 1.00 . A A . 10 TYR HB2 1 1 20 5917 1 1 10 TYR HB3 H -14.361 -4.285 -1.543 1.00 . A A . 10 TYR HB3 1 1 20 5918 1 1 10 TYR HD1 H -14.072 -5.978 -4.840 1.00 . A A . 10 TYR HD1 1 1 20 5919 1 1 10 TYR HD2 H -16.461 -3.524 -2.315 1.00 . A A . 10 TYR HD2 1 1 20 5920 1 1 10 TYR HE1 H -15.944 -6.176 -6.424 1.00 . A A . 10 TYR HE1 1 1 20 5921 1 1 10 TYR HE2 H -18.336 -3.715 -3.892 1.00 . A A . 10 TYR HE2 1 1 20 5922 1 1 10 TYR HH H -18.713 -4.209 -6.259 1.00 . A A . 10 TYR HH 1 1 20 5923 1 1 10 TYR N N -11.776 -3.611 -2.023 1.00 . A A . 10 TYR N 1 1 20 5924 1 1 10 TYR O O -14.038 -1.705 -2.169 1.00 . A A . 10 TYR O 1 1 20 5925 1 1 10 TYR OH O -18.299 -5.067 -6.138 1.00 . A A . 10 TYR OH 1 1 20 5926 1 1 11 PRO C C -10.788 -2.109 -4.911 1.00 . A A . 11 PRO C 1 1 20 5927 1 1 11 PRO CA C -12.285 -2.088 -5.265 1.00 . A A . 11 PRO CA 1 1 20 5928 1 1 11 PRO CB C -12.525 -1.153 -6.449 1.00 . A A . 11 PRO CB 1 1 20 5929 1 1 11 PRO CD C -13.563 -0.191 -4.521 1.00 . A A . 11 PRO CD 1 1 20 5930 1 1 11 PRO CG C -13.615 -0.223 -6.020 1.00 . A A . 11 PRO CG 1 1 20 5931 1 1 11 PRO HA H -12.637 -3.073 -5.526 1.00 . A A . 11 PRO HA 1 1 20 5932 1 1 11 PRO HB2 H -11.600 -0.647 -6.688 1.00 . A A . 11 PRO HB2 1 1 20 5933 1 1 11 PRO HB3 H -12.850 -1.776 -7.268 1.00 . A A . 11 PRO HB3 1 1 20 5934 1 1 11 PRO HD2 H -12.854 0.548 -4.178 1.00 . A A . 11 PRO HD2 1 1 20 5935 1 1 11 PRO HD3 H -14.542 -0.004 -4.107 1.00 . A A . 11 PRO HD3 1 1 20 5936 1 1 11 PRO HG2 H -13.439 0.761 -6.433 1.00 . A A . 11 PRO HG2 1 1 20 5937 1 1 11 PRO HG3 H -14.574 -0.602 -6.339 1.00 . A A . 11 PRO HG3 1 1 20 5938 1 1 11 PRO N N -13.113 -1.541 -4.202 1.00 . A A . 11 PRO N 1 1 20 5939 1 1 11 PRO O O -10.306 -1.265 -4.150 1.00 . A A . 11 PRO O 1 1 20 5940 1 1 12 PRO C C -7.905 -2.088 -5.968 1.00 . A A . 12 PRO C 1 1 20 5941 1 1 12 PRO CA C -8.618 -3.218 -5.215 1.00 . A A . 12 PRO CA 1 1 20 5942 1 1 12 PRO CB C -8.256 -4.590 -5.800 1.00 . A A . 12 PRO CB 1 1 20 5943 1 1 12 PRO CD C -10.599 -4.212 -6.203 1.00 . A A . 12 PRO CD 1 1 20 5944 1 1 12 PRO CG C -9.548 -5.278 -6.102 1.00 . A A . 12 PRO CG 1 1 20 5945 1 1 12 PRO HA H -8.360 -3.163 -4.167 1.00 . A A . 12 PRO HA 1 1 20 5946 1 1 12 PRO HB2 H -7.668 -4.451 -6.697 1.00 . A A . 12 PRO HB2 1 1 20 5947 1 1 12 PRO HB3 H -7.701 -5.169 -5.077 1.00 . A A . 12 PRO HB3 1 1 20 5948 1 1 12 PRO HD2 H -10.779 -3.893 -7.213 1.00 . A A . 12 PRO HD2 1 1 20 5949 1 1 12 PRO HD3 H -11.543 -4.536 -5.796 1.00 . A A . 12 PRO HD3 1 1 20 5950 1 1 12 PRO HG2 H -9.464 -5.818 -7.033 1.00 . A A . 12 PRO HG2 1 1 20 5951 1 1 12 PRO HG3 H -9.800 -5.954 -5.297 1.00 . A A . 12 PRO HG3 1 1 20 5952 1 1 12 PRO N N -10.064 -3.113 -5.409 1.00 . A A . 12 PRO N 1 1 20 5953 1 1 12 PRO O O -8.346 -1.686 -7.052 1.00 . A A . 12 PRO O 1 1 20 5954 1 1 13 LYS C C -4.660 -0.404 -5.624 1.00 . A A . 13 LYS C 1 1 20 5955 1 1 13 LYS CA C -6.198 -0.382 -5.944 1.00 . A A . 13 LYS CA 1 1 20 5956 1 1 13 LYS CB C -6.981 0.785 -5.292 1.00 . A A . 13 LYS CB 1 1 20 5957 1 1 13 LYS CD C -5.318 2.644 -4.975 1.00 . A A . 13 LYS CD 1 1 20 5958 1 1 13 LYS CE C -5.382 2.519 -3.447 1.00 . A A . 13 LYS CE 1 1 20 5959 1 1 13 LYS CG C -6.611 2.231 -5.621 1.00 . A A . 13 LYS CG 1 1 20 5960 1 1 13 LYS H H -6.422 -2.014 -4.624 1.00 . A A . 13 LYS H 1 1 20 5961 1 1 13 LYS HA H -6.350 -0.361 -7.012 1.00 . A A . 13 LYS HA 1 1 20 5962 1 1 13 LYS HB2 H -8.026 0.657 -5.538 1.00 . A A . 13 LYS HB2 1 1 20 5963 1 1 13 LYS HB3 H -6.864 0.606 -4.237 1.00 . A A . 13 LYS HB3 1 1 20 5964 1 1 13 LYS HD2 H -4.572 1.960 -5.360 1.00 . A A . 13 LYS HD2 1 1 20 5965 1 1 13 LYS HD3 H -5.077 3.658 -5.256 1.00 . A A . 13 LYS HD3 1 1 20 5966 1 1 13 LYS HE2 H -6.130 3.196 -3.062 1.00 . A A . 13 LYS HE2 1 1 20 5967 1 1 13 LYS HE3 H -5.640 1.510 -3.165 1.00 . A A . 13 LYS HE3 1 1 20 5968 1 1 13 LYS HG2 H -6.525 2.345 -6.691 1.00 . A A . 13 LYS HG2 1 1 20 5969 1 1 13 LYS HG3 H -7.404 2.867 -5.258 1.00 . A A . 13 LYS HG3 1 1 20 5970 1 1 13 LYS HZ1 H -3.860 3.852 -2.956 1.00 . A A . 13 LYS HZ1 1 1 20 5971 1 1 13 LYS HZ2 H -3.369 2.265 -3.305 1.00 . A A . 13 LYS HZ2 1 1 20 5972 1 1 13 LYS HZ3 H -4.111 2.600 -1.817 1.00 . A A . 13 LYS HZ3 1 1 20 5973 1 1 13 LYS N N -6.828 -1.577 -5.407 1.00 . A A . 13 LYS N 1 1 20 5974 1 1 13 LYS NZ N -4.091 2.849 -2.825 1.00 . A A . 13 LYS NZ 1 1 20 5975 1 1 13 LYS O O -4.273 -0.843 -4.569 1.00 . A A . 13 LYS O 1 1 20 5976 1 1 14 PRO C C -1.769 0.764 -5.078 1.00 . A A . 14 PRO C 1 1 20 5977 1 1 14 PRO CA C -2.290 -0.002 -6.337 1.00 . A A . 14 PRO CA 1 1 20 5978 1 1 14 PRO CB C -1.731 0.622 -7.619 1.00 . A A . 14 PRO CB 1 1 20 5979 1 1 14 PRO CD C -4.099 0.709 -7.827 1.00 . A A . 14 PRO CD 1 1 20 5980 1 1 14 PRO CG C -2.841 1.464 -8.146 1.00 . A A . 14 PRO CG 1 1 20 5981 1 1 14 PRO HA H -1.989 -1.036 -6.288 1.00 . A A . 14 PRO HA 1 1 20 5982 1 1 14 PRO HB2 H -0.838 1.182 -7.388 1.00 . A A . 14 PRO HB2 1 1 20 5983 1 1 14 PRO HB3 H -1.502 -0.155 -8.334 1.00 . A A . 14 PRO HB3 1 1 20 5984 1 1 14 PRO HD2 H -4.936 1.386 -7.732 1.00 . A A . 14 PRO HD2 1 1 20 5985 1 1 14 PRO HD3 H -4.297 -0.037 -8.582 1.00 . A A . 14 PRO HD3 1 1 20 5986 1 1 14 PRO HG2 H -2.833 2.424 -7.652 1.00 . A A . 14 PRO HG2 1 1 20 5987 1 1 14 PRO HG3 H -2.752 1.583 -9.216 1.00 . A A . 14 PRO HG3 1 1 20 5988 1 1 14 PRO N N -3.769 0.074 -6.536 1.00 . A A . 14 PRO N 1 1 20 5989 1 1 14 PRO O O -2.402 1.730 -4.609 1.00 . A A . 14 PRO O 1 1 20 5990 1 1 15 CYS C C 0.710 2.168 -3.853 1.00 . A A . 15 CYS C 1 1 20 5991 1 1 15 CYS CA C -0.080 0.987 -3.384 1.00 . A A . 15 CYS CA 1 1 20 5992 1 1 15 CYS CB C 0.838 0.034 -2.689 1.00 . A A . 15 CYS CB 1 1 20 5993 1 1 15 CYS H H -0.090 -0.417 -4.838 1.00 . A A . 15 CYS H 1 1 20 5994 1 1 15 CYS HA H -0.862 1.288 -2.704 1.00 . A A . 15 CYS HA 1 1 20 5995 1 1 15 CYS HB2 H 1.403 -0.297 -3.541 1.00 . A A . 15 CYS HB2 1 1 20 5996 1 1 15 CYS HB3 H 1.527 0.453 -1.978 1.00 . A A . 15 CYS HB3 1 1 20 5997 1 1 15 CYS N N -0.645 0.338 -4.517 1.00 . A A . 15 CYS N 1 1 20 5998 1 1 15 CYS O O 1.482 2.080 -4.799 1.00 . A A . 15 CYS O 1 1 20 5999 1 1 15 CYS SG S 0.050 -1.441 -1.991 1.00 . A A . 15 CYS SG 1 1 20 6000 1 1 16 PHE C C 2.489 4.561 -2.755 1.00 . A A . 16 PHE C 1 1 20 6001 1 1 16 PHE CA C 1.209 4.469 -3.552 1.00 . A A . 16 PHE CA 1 1 20 6002 1 1 16 PHE CB C 0.348 5.721 -3.340 1.00 . A A . 16 PHE CB 1 1 20 6003 1 1 16 PHE CD1 C -0.752 6.022 -5.577 1.00 . A A . 16 PHE CD1 1 1 20 6004 1 1 16 PHE CD2 C -2.137 5.620 -3.681 1.00 . A A . 16 PHE CD2 1 1 20 6005 1 1 16 PHE CE1 C -1.871 6.090 -6.385 1.00 . A A . 16 PHE CE1 1 1 20 6006 1 1 16 PHE CE2 C -3.258 5.688 -4.484 1.00 . A A . 16 PHE CE2 1 1 20 6007 1 1 16 PHE CG C -0.873 5.783 -4.216 1.00 . A A . 16 PHE CG 1 1 20 6008 1 1 16 PHE CZ C -3.126 5.923 -5.837 1.00 . A A . 16 PHE CZ 1 1 20 6009 1 1 16 PHE H H -0.130 3.186 -2.474 1.00 . A A . 16 PHE H 1 1 20 6010 1 1 16 PHE HA H 1.474 4.397 -4.596 1.00 . A A . 16 PHE HA 1 1 20 6011 1 1 16 PHE HB2 H 0.019 5.752 -2.312 1.00 . A A . 16 PHE HB2 1 1 20 6012 1 1 16 PHE HB3 H 0.948 6.596 -3.541 1.00 . A A . 16 PHE HB3 1 1 20 6013 1 1 16 PHE HD1 H 0.230 6.150 -6.007 1.00 . A A . 16 PHE HD1 1 1 20 6014 1 1 16 PHE HD2 H -2.244 5.436 -2.622 1.00 . A A . 16 PHE HD2 1 1 20 6015 1 1 16 PHE HE1 H -1.763 6.276 -7.443 1.00 . A A . 16 PHE HE1 1 1 20 6016 1 1 16 PHE HE2 H -4.240 5.555 -4.051 1.00 . A A . 16 PHE HE2 1 1 20 6017 1 1 16 PHE HZ H -4.002 5.976 -6.465 1.00 . A A . 16 PHE HZ 1 1 20 6018 1 1 16 PHE N N 0.502 3.251 -3.214 1.00 . A A . 16 PHE N 1 1 20 6019 1 1 16 PHE O O 2.480 4.936 -1.587 1.00 . A A . 16 PHE O 1 1 20 6020 1 1 17 VAL C C 5.689 5.226 -3.469 1.00 . A A . 17 VAL C 1 1 20 6021 1 1 17 VAL CA C 4.861 4.180 -2.748 1.00 . A A . 17 VAL CA 1 1 20 6022 1 1 17 VAL CB C 5.583 2.799 -2.837 1.00 . A A . 17 VAL CB 1 1 20 6023 1 1 17 VAL CG1 C 6.922 2.830 -2.105 1.00 . A A . 17 VAL CG1 1 1 20 6024 1 1 17 VAL CG2 C 4.702 1.679 -2.291 1.00 . A A . 17 VAL CG2 1 1 20 6025 1 1 17 VAL H H 3.496 3.808 -4.282 1.00 . A A . 17 VAL H 1 1 20 6026 1 1 17 VAL HA H 4.744 4.459 -1.711 1.00 . A A . 17 VAL HA 1 1 20 6027 1 1 17 VAL HB H 5.784 2.599 -3.880 1.00 . A A . 17 VAL HB 1 1 20 6028 1 1 17 VAL HG11 H 7.400 1.865 -2.186 1.00 . A A . 17 VAL HG11 1 1 20 6029 1 1 17 VAL HG12 H 6.757 3.062 -1.063 1.00 . A A . 17 VAL HG12 1 1 20 6030 1 1 17 VAL HG13 H 7.556 3.584 -2.546 1.00 . A A . 17 VAL HG13 1 1 20 6031 1 1 17 VAL HG21 H 4.464 1.879 -1.257 1.00 . A A . 17 VAL HG21 1 1 20 6032 1 1 17 VAL HG22 H 5.227 0.739 -2.366 1.00 . A A . 17 VAL HG22 1 1 20 6033 1 1 17 VAL HG23 H 3.789 1.628 -2.866 1.00 . A A . 17 VAL HG23 1 1 20 6034 1 1 17 VAL N N 3.562 4.143 -3.365 1.00 . A A . 17 VAL N 1 1 20 6035 1 1 17 VAL O O 5.923 5.110 -4.674 1.00 . A A . 17 VAL O 1 1 20 6036 1 1 18 ARG C C 8.323 7.143 -2.884 1.00 . A A . 18 ARG C 1 1 20 6037 1 1 18 ARG CA C 6.873 7.308 -3.321 1.00 . A A . 18 ARG CA 1 1 20 6038 1 1 18 ARG CB C 6.309 8.681 -2.886 1.00 . A A . 18 ARG CB 1 1 20 6039 1 1 18 ARG CD C 7.599 10.816 -2.450 1.00 . A A . 18 ARG CD 1 1 20 6040 1 1 18 ARG CG C 7.013 9.891 -3.515 1.00 . A A . 18 ARG CG 1 1 20 6041 1 1 18 ARG CZ C 9.404 10.605 -0.736 1.00 . A A . 18 ARG CZ 1 1 20 6042 1 1 18 ARG H H 5.888 6.266 -1.799 1.00 . A A . 18 ARG H 1 1 20 6043 1 1 18 ARG HA H 6.820 7.224 -4.397 1.00 . A A . 18 ARG HA 1 1 20 6044 1 1 18 ARG HB2 H 5.262 8.726 -3.150 1.00 . A A . 18 ARG HB2 1 1 20 6045 1 1 18 ARG HB3 H 6.399 8.761 -1.812 1.00 . A A . 18 ARG HB3 1 1 20 6046 1 1 18 ARG HD2 H 8.100 11.641 -2.934 1.00 . A A . 18 ARG HD2 1 1 20 6047 1 1 18 ARG HD3 H 6.798 11.191 -1.830 1.00 . A A . 18 ARG HD3 1 1 20 6048 1 1 18 ARG HE H 8.544 9.109 -1.728 1.00 . A A . 18 ARG HE 1 1 20 6049 1 1 18 ARG HG2 H 7.814 9.537 -4.148 1.00 . A A . 18 ARG HG2 1 1 20 6050 1 1 18 ARG HG3 H 6.301 10.443 -4.111 1.00 . A A . 18 ARG HG3 1 1 20 6051 1 1 18 ARG HH11 H 8.874 12.551 -1.034 1.00 . A A . 18 ARG HH11 1 1 20 6052 1 1 18 ARG HH12 H 10.106 12.336 0.130 1.00 . A A . 18 ARG HH12 1 1 20 6053 1 1 18 ARG HH21 H 10.104 8.786 -0.260 1.00 . A A . 18 ARG HH21 1 1 20 6054 1 1 18 ARG HH22 H 10.872 10.041 0.617 1.00 . A A . 18 ARG HH22 1 1 20 6055 1 1 18 ARG N N 6.092 6.240 -2.755 1.00 . A A . 18 ARG N 1 1 20 6056 1 1 18 ARG NE N 8.556 10.101 -1.608 1.00 . A A . 18 ARG NE 1 1 20 6057 1 1 18 ARG NH1 N 9.470 11.926 -0.527 1.00 . A A . 18 ARG NH1 1 1 20 6058 1 1 18 ARG NH2 N 10.194 9.770 -0.066 1.00 . A A . 18 ARG NH2 1 1 20 6059 1 1 18 ARG O O 8.649 7.522 -1.743 1.00 . A A . 18 ARG O 1 1 20 6060 1 1 18 ARG OXT O 9.124 6.638 -3.671 1.00 . A A . 18 ARG OXT 1 1 stop_ save_
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