NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
640814 | 6mbm | 30509 | cing | 4-filtered-FRED | STAR | entry | full | 190 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6mbm # This FRED archive file contains, for PDB entry <6mbm>: # # - 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_6mbm _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6mbm _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1967.47 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 $Unconventional_myosin_Ih_peptide A . 1 1 stop_ save_ save_Unconventional_myosin_Ih_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Unconventional myosin Ih peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KWAVRIIRKFIKGFIS _Entity.Number_of_monomers 16 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 LYS . 1 1 2 TRP . 1 1 3 ALA . 1 1 4 VAL . 1 1 5 ARG . 1 1 6 ILE . 1 1 7 ILE . 1 1 8 ARG . 1 1 9 LYS . 1 1 10 PHE . 1 1 11 ILE . 1 1 12 LYS . 1 1 13 GLY . 1 1 14 PHE . 1 1 15 ILE . 1 1 16 SER . 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 LYS 1 1 1 1 TRP 2 2 1 1 ALA 3 3 1 1 VAL 4 4 1 1 ARG 5 5 1 1 ILE 6 6 1 1 ILE 7 7 1 1 ARG 8 8 1 1 LYS 9 9 1 1 PHE 10 10 1 1 ILE 11 11 1 1 LYS 12 12 1 1 GLY 13 13 1 1 PHE 14 14 1 1 ILE 15 15 1 1 SER 16 16 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 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 TRP H . 2 . H 1 1 1 1 2 1 1 2 TRP HA . 2 . HA 1 1 2 1 1 1 1 2 TRP HA . 2 . HA 1 1 2 1 2 1 1 4 VAL H . 4 . H 1 1 3 1 1 1 1 2 TRP HA . 2 . HA 1 1 3 1 2 1 1 5 ARG H . 5 . H 1 1 4 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1 4 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 5 1 1 1 1 3 ALA H . 3 . H 1 1 5 1 2 1 1 3 ALA MB . 3 . HB# 1 1 6 1 1 1 1 3 ALA HA . 3 . HA 1 1 6 1 2 1 1 3 ALA MB . 3 . HB# 1 1 7 1 1 1 1 3 ALA HA . 3 . HA 1 1 7 1 2 1 1 4 VAL H . 4 . H 1 1 8 1 1 1 1 3 ALA HA . 3 . HA 1 1 8 1 2 1 1 6 ILE MD . 6 . HD1# 1 1 9 1 1 1 1 3 ALA MB . 3 . HB# 1 1 9 1 2 1 1 4 VAL H . 4 . H 1 1 10 1 1 1 1 3 ALA MB . 3 . HB# 1 1 10 1 2 1 1 4 VAL HA . 4 . HA 1 1 11 1 1 1 1 3 ALA MB . 3 . HB# 1 1 11 1 2 1 1 6 ILE H . 6 . H 1 1 12 1 1 1 1 3 ALA MB . 3 . HB# 1 1 12 1 2 1 1 6 ILE QG . 6 . HG12 1 1 13 1 1 1 1 4 VAL H . 4 . H 1 1 13 1 2 1 1 4 VAL HA . 4 . HA 1 1 14 1 1 1 1 4 VAL H . 4 . H 1 1 14 1 2 1 1 4 VAL HB . 4 . HB 1 1 15 1 1 1 1 4 VAL HA . 4 . HA 1 1 15 1 2 1 1 4 VAL HB . 4 . HB 1 1 16 1 1 1 1 4 VAL HA . 4 . HA 1 1 16 1 2 1 1 4 VAL MG1 . 4 . HG2# 1 1 17 1 1 1 1 4 VAL HA . 4 . HA 1 1 17 1 2 1 1 4 VAL MG2 . 4 . HG1# 1 1 18 1 1 1 1 4 VAL HA . 4 . HA 1 1 18 1 2 1 1 5 ARG H . 5 . H 1 1 19 1 1 1 1 4 VAL HA . 4 . HA 1 1 19 1 2 1 1 7 ILE H . 7 . H 1 1 20 1 1 1 1 4 VAL HA . 4 . HA 1 1 20 1 2 1 1 7 ILE MD . 7 . HD1# 1 1 21 1 1 1 1 4 VAL HA . 4 . HA 1 1 21 1 2 1 1 8 ARG H . 8 . H 1 1 22 1 1 1 1 4 VAL HB . 4 . HB 1 1 22 1 2 1 1 4 VAL MG1 . 4 . HG2# 1 1 23 1 1 1 1 4 VAL HB . 4 . HB 1 1 23 1 2 1 1 4 VAL MG2 . 4 . HG1# 1 1 24 1 1 1 1 4 VAL MG1 . 4 . HG1# 1 1 24 1 2 1 1 4 VAL MG2 . 4 . HG2# 1 1 25 1 1 1 1 4 VAL MG1 . 4 . HG2# 1 1 25 1 2 1 1 5 ARG HA . 5 . HA 1 1 26 1 1 1 1 4 VAL MG1 . 4 . HG2# 1 1 26 1 2 1 1 7 ILE HB . 7 . HB 1 1 27 1 1 1 1 5 ARG H . 5 . H 1 1 27 1 2 1 1 5 ARG HA . 5 . HA 1 1 28 1 1 1 1 5 ARG HA . 5 . HA 1 1 28 1 2 1 1 5 ARG QB . 5 . HB2 1 1 29 1 1 1 1 5 ARG HA . 5 . HA 1 1 29 1 2 1 1 5 ARG HD3 . 5 . HD3 1 1 30 1 1 1 1 5 ARG HA . 5 . HA 1 1 30 1 2 1 1 5 ARG QG . 5 . HG2 1 1 31 1 1 1 1 5 ARG HA . 5 . HA 1 1 31 1 2 1 1 8 ARG H . 8 . H 1 1 32 1 1 1 1 5 ARG HA . 5 . HA 1 1 32 1 2 1 1 8 ARG HG2 . 8 . HG2 1 1 33 1 1 1 1 5 ARG QB . 5 . HB2 1 1 33 1 2 1 1 5 ARG HD2 . 5 . HD2 1 1 34 1 1 1 1 5 ARG QB . 5 . HB2 1 1 34 1 2 1 1 5 ARG QD . 5 . HD2 1 1 35 1 1 1 1 5 ARG QB . 5 . HB3 1 1 35 1 2 1 1 5 ARG HD3 . 5 . HD3 1 1 36 1 1 1 1 5 ARG QB . 5 . HB3 1 1 36 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 37 1 1 1 1 5 ARG QB . 5 . HB3 1 1 37 1 2 1 1 5 ARG QG . 5 . HG2 1 1 38 1 1 1 1 5 ARG QB . 5 . HB2 1 1 38 1 2 1 1 5 ARG HG3 . 5 . HG3 1 1 39 1 1 1 1 5 ARG QD . 5 . HD2 1 1 39 1 2 1 1 5 ARG HG3 . 5 . HG3 1 1 40 1 1 1 1 5 ARG HD2 . 5 . HD2 1 1 40 1 2 1 1 5 ARG HG2 . 5 . HG2 1 1 41 1 1 1 1 5 ARG HD2 . 5 . HD2 1 1 41 1 2 1 1 5 ARG QG . 5 . HG2 1 1 42 1 1 1 1 5 ARG HD3 . 5 . HD3 1 1 42 1 2 1 1 5 ARG HG3 . 5 . HG3 1 1 43 1 1 1 1 6 ILE H . 6 . H 1 1 43 1 2 1 1 6 ILE HB . 6 . HB 1 1 44 1 1 1 1 6 ILE H . 6 . H 1 1 44 1 2 1 1 6 ILE MG . 6 . HG2# 1 1 45 1 1 1 1 6 ILE H . 6 . H 1 1 45 1 2 1 1 7 ILE H . 7 . H 1 1 46 1 1 1 1 6 ILE HA . 6 . HA 1 1 46 1 2 1 1 6 ILE HB . 6 . HB 1 1 47 1 1 1 1 6 ILE HA . 6 . HA 1 1 47 1 2 1 1 6 ILE MD . 6 . HD1# 1 1 48 1 1 1 1 6 ILE HA . 6 . HA 1 1 48 1 2 1 1 6 ILE QG . 6 . HG13 1 1 49 1 1 1 1 6 ILE HA . 6 . HA 1 1 49 1 2 1 1 6 ILE MG . 6 . HG2# 1 1 50 1 1 1 1 6 ILE HA . 6 . HA 1 1 50 1 2 1 1 9 LYS H . 9 . H 1 1 51 1 1 1 1 6 ILE HA . 6 . HA 1 1 51 1 2 1 1 9 LYS QD . 9 . HD2 1 1 52 1 1 1 1 6 ILE HA . 6 . HA 1 1 52 1 2 1 1 10 PHE H . 10 . H 1 1 53 1 1 1 1 6 ILE HB . 6 . HB 1 1 53 1 2 1 1 6 ILE MD . 6 . HD1# 1 1 54 1 1 1 1 6 ILE HB . 6 . HB 1 1 54 1 2 1 1 6 ILE MG . 6 . HG2# 1 1 55 1 1 1 1 6 ILE HB . 6 . HB 1 1 55 1 2 1 1 7 ILE H . 7 . H 1 1 56 1 1 1 1 6 ILE QG . 6 . HG12 1 1 56 1 2 1 1 6 ILE MG . 6 . HG2# 1 1 57 1 1 1 1 6 ILE MG . 6 . HG2# 1 1 57 1 2 1 1 7 ILE H . 7 . H 1 1 58 1 1 1 1 6 ILE MG . 6 . HG2# 1 1 58 1 2 1 1 9 LYS H . 9 . H 1 1 59 1 1 1 1 7 ILE H . 7 . H 1 1 59 1 2 1 1 7 ILE HA . 7 . HA 1 1 60 1 1 1 1 7 ILE H . 7 . H 1 1 60 1 2 1 1 7 ILE MD . 7 . HD1# 1 1 61 1 1 1 1 7 ILE H . 7 . H 1 1 61 1 2 1 1 8 ARG H . 8 . H 1 1 62 1 1 1 1 7 ILE HA . 7 . HA 1 1 62 1 2 1 1 7 ILE HB . 7 . HB 1 1 63 1 1 1 1 7 ILE HA . 7 . HA 1 1 63 1 2 1 1 7 ILE MD . 7 . HD1# 1 1 64 1 1 1 1 7 ILE HA . 7 . HA 1 1 64 1 2 1 1 7 ILE QG . 7 . HG12 1 1 65 1 1 1 1 7 ILE HA . 7 . HA 1 1 65 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 66 1 1 1 1 7 ILE HA . 7 . HA 1 1 66 1 2 1 1 9 LYS H . 9 . H 1 1 67 1 1 1 1 7 ILE HA . 7 . HA 1 1 67 1 2 1 1 10 PHE H . 10 . H 1 1 68 1 1 1 1 7 ILE HA . 7 . HA 1 1 68 1 2 1 1 10 PHE HB2 . 10 . HB3 1 1 69 1 1 1 1 7 ILE HB . 7 . HB 1 1 69 1 2 1 1 7 ILE MD . 7 . HD1# 1 1 70 1 1 1 1 7 ILE HB . 7 . HB 1 1 70 1 2 1 1 7 ILE QG . 7 . HG12 1 1 71 1 1 1 1 7 ILE HB . 7 . HB 1 1 71 1 2 1 1 7 ILE MG . 7 . HG2# 1 1 72 1 1 1 1 7 ILE HB . 7 . HB 1 1 72 1 2 1 1 8 ARG H . 8 . H 1 1 73 1 1 1 1 7 ILE MD . 7 . HD1# 1 1 73 1 2 1 1 8 ARG H . 8 . H 1 1 74 1 1 1 1 7 ILE QG . 7 . HG12 1 1 74 1 2 1 1 10 PHE QD . 10 . HD# 1 1 75 1 1 1 1 8 ARG H . 8 . H 1 1 75 1 2 1 1 8 ARG HA . 8 . HA 1 1 76 1 1 1 1 8 ARG H . 8 . H 1 1 76 1 2 1 1 8 ARG HG2 . 8 . HG2 1 1 77 1 1 1 1 8 ARG H . 8 . H 1 1 77 1 2 1 1 8 ARG HG3 . 8 . HG3 1 1 78 1 1 1 1 8 ARG H . 8 . H 1 1 78 1 2 1 1 9 LYS H . 9 . H 1 1 79 1 1 1 1 8 ARG HA . 8 . HA 1 1 79 1 2 1 1 8 ARG QB . 8 . HB2 1 1 80 1 1 1 1 8 ARG HA . 8 . HA 1 1 80 1 2 1 1 8 ARG QD . 8 . HD2 1 1 81 1 1 1 1 8 ARG HA . 8 . HA 1 1 81 1 2 1 1 8 ARG HG2 . 8 . HG2 1 1 82 1 1 1 1 8 ARG HA . 8 . HA 1 1 82 1 2 1 1 8 ARG HG3 . 8 . HG3 1 1 83 1 1 1 1 8 ARG HA . 8 . HA 1 1 83 1 2 1 1 9 LYS H . 9 . H 1 1 84 1 1 1 1 8 ARG HA . 8 . HA 1 1 84 1 2 1 1 11 ILE HB . 11 . HB 1 1 85 1 1 1 1 8 ARG HA . 8 . HA 1 1 85 1 2 1 1 11 ILE MD . 11 . HD1# 1 1 86 1 1 1 1 8 ARG HA . 8 . HA 1 1 86 1 2 1 1 11 ILE MG . 11 . HG2# 1 1 87 1 1 1 1 8 ARG HA . 8 . HA 1 1 87 1 2 1 1 12 LYS H . 12 . H 1 1 88 1 1 1 1 8 ARG QB . 8 . HB2 1 1 88 1 2 1 1 8 ARG QD . 8 . HD3 1 1 89 1 1 1 1 8 ARG QB . 8 . HB2 1 1 89 1 2 1 1 8 ARG HG2 . 8 . HG2 1 1 90 1 1 1 1 8 ARG QB . 8 . HB2 1 1 90 1 2 1 1 8 ARG HG3 . 8 . HG3 1 1 91 1 1 1 1 8 ARG QD . 8 . HD2 1 1 91 1 2 1 1 8 ARG HG2 . 8 . HG2 1 1 92 1 1 1 1 8 ARG QD . 8 . HD2 1 1 92 1 2 1 1 8 ARG HG3 . 8 . HG3 1 1 93 1 1 1 1 9 LYS H . 9 . H 1 1 93 1 2 1 1 9 LYS HA . 9 . HA 1 1 94 1 1 1 1 9 LYS H . 9 . H 1 1 94 1 2 1 1 9 LYS QB . 9 . HB2 1 1 95 1 1 1 1 9 LYS H . 9 . H 1 1 95 1 2 1 1 9 LYS QD . 9 . HD2 1 1 96 1 1 1 1 9 LYS H . 9 . H 1 1 96 1 2 1 1 10 PHE H . 10 . H 1 1 97 1 1 1 1 9 LYS HA . 9 . HA 1 1 97 1 2 1 1 9 LYS QB . 9 . HB2 1 1 98 1 1 1 1 9 LYS HA . 9 . HA 1 1 98 1 2 1 1 9 LYS QD . 9 . HD2 1 1 99 1 1 1 1 9 LYS HA . 9 . HA 1 1 99 1 2 1 1 9 LYS QE . 9 . HE2 1 1 100 1 1 1 1 9 LYS HA . 9 . HA 1 1 100 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 101 1 1 1 1 9 LYS HA . 9 . HA 1 1 101 1 2 1 1 9 LYS HG3 . 9 . HG3 1 1 102 1 1 1 1 9 LYS HA . 9 . HA 1 1 102 1 2 1 1 10 PHE H . 10 . H 1 1 103 1 1 1 1 9 LYS QB . 9 . HB2 1 1 103 1 2 1 1 9 LYS QD . 9 . HD2 1 1 104 1 1 1 1 9 LYS QB . 9 . HB2 1 1 104 1 2 1 1 9 LYS QE . 9 . HE2 1 1 105 1 1 1 1 9 LYS QB . 9 . HB2 1 1 105 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 106 1 1 1 1 9 LYS QB . 9 . HB2 1 1 106 1 2 1 1 9 LYS HG3 . 9 . HG3 1 1 107 1 1 1 1 9 LYS QB . 9 . HB3 1 1 107 1 2 1 1 10 PHE H . 10 . H 1 1 108 1 1 1 1 9 LYS QB . 9 . HB3 1 1 108 1 2 1 1 10 PHE QD . 10 . HD# 1 1 109 1 1 1 1 9 LYS QD . 9 . HD2 1 1 109 1 2 1 1 9 LYS QE . 9 . HE3 1 1 110 1 1 1 1 9 LYS QD . 9 . HD2 1 1 110 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 111 1 1 1 1 9 LYS QD . 9 . HD2 1 1 111 1 2 1 1 12 LYS H . 12 . H 1 1 112 1 1 1 1 9 LYS HD2 . 9 . HD2 1 1 112 1 2 1 1 9 LYS QE . 9 . HE2 1 1 113 1 1 1 1 9 LYS HD3 . 9 . HD3 1 1 113 1 2 1 1 9 LYS QE . 9 . HE3 1 1 114 1 1 1 1 9 LYS QE . 9 . HE2 1 1 114 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 115 1 1 1 1 9 LYS QE . 9 . HE2 1 1 115 1 2 1 1 9 LYS HG3 . 9 . HG3 1 1 116 1 1 1 1 10 PHE H . 10 . H 1 1 116 1 2 1 1 10 PHE HA . 10 . HA 1 1 117 1 1 1 1 10 PHE H . 10 . H 1 1 117 1 2 1 1 10 PHE HB2 . 10 . HB3 1 1 118 1 1 1 1 10 PHE H . 10 . H 1 1 118 1 2 1 1 10 PHE QD . 10 . HD# 1 1 119 1 1 1 1 10 PHE H . 10 . H 1 1 119 1 2 1 1 11 ILE H . 11 . H 1 1 120 1 1 1 1 10 PHE HA . 10 . HA 1 1 120 1 2 1 1 10 PHE QB . 10 . HB2 1 1 121 1 1 1 1 10 PHE HA . 10 . HA 1 1 121 1 2 1 1 10 PHE QD . 10 . HD# 1 1 122 1 1 1 1 10 PHE HA . 10 . HA 1 1 122 1 2 1 1 11 ILE H . 11 . H 1 1 123 1 1 1 1 10 PHE HA . 10 . HA 1 1 123 1 2 1 1 12 LYS H . 12 . H 1 1 124 1 1 1 1 10 PHE QB . 10 . HB2 1 1 124 1 2 1 1 10 PHE QD . 10 . HD# 1 1 125 1 1 1 1 10 PHE QB . 10 . HB2 1 1 125 1 2 1 1 12 LYS H . 12 . H 1 1 126 1 1 1 1 10 PHE QD . 10 . HD# 1 1 126 1 2 1 1 11 ILE H . 11 . H 1 1 127 1 1 1 1 11 ILE H . 11 . H 1 1 127 1 2 1 1 11 ILE HA . 11 . HA 1 1 128 1 1 1 1 11 ILE H . 11 . H 1 1 128 1 2 1 1 11 ILE HB . 11 . HB 1 1 129 1 1 1 1 11 ILE H . 11 . H 1 1 129 1 2 1 1 11 ILE MD . 11 . HD1# 1 1 130 1 1 1 1 11 ILE H . 11 . H 1 1 130 1 2 1 1 12 LYS H . 12 . H 1 1 131 1 1 1 1 11 ILE HA . 11 . HA 1 1 131 1 2 1 1 11 ILE HB . 11 . HB 1 1 132 1 1 1 1 11 ILE HA . 11 . HA 1 1 132 1 2 1 1 11 ILE MD . 11 . HD1# 1 1 133 1 1 1 1 11 ILE HA . 11 . HA 1 1 133 1 2 1 1 11 ILE QG . 11 . HG12 1 1 134 1 1 1 1 11 ILE HA . 11 . HA 1 1 134 1 2 1 1 11 ILE MG . 11 . HG2# 1 1 135 1 1 1 1 11 ILE HA . 11 . HA 1 1 135 1 2 1 1 12 LYS H . 12 . H 1 1 136 1 1 1 1 11 ILE HA . 11 . HA 1 1 136 1 2 1 1 14 PHE H . 14 . H 1 1 137 1 1 1 1 11 ILE HA . 11 . HA 1 1 137 1 2 1 1 14 PHE HB2 . 14 . HB2 1 1 138 1 1 1 1 11 ILE HA . 11 . HA 1 1 138 1 2 1 1 14 PHE HB3 . 14 . HB3 1 1 139 1 1 1 1 11 ILE HA . 11 . HA 1 1 139 1 2 1 1 14 PHE QD . 14 . HD# 1 1 140 1 1 1 1 11 ILE HA . 11 . HA 1 1 140 1 2 1 1 15 ILE H . 15 . H 1 1 141 1 1 1 1 11 ILE HB . 11 . HB 1 1 141 1 2 1 1 11 ILE MD . 11 . HD1# 1 1 142 1 1 1 1 11 ILE HB . 11 . HB 1 1 142 1 2 1 1 11 ILE MG . 11 . HG2# 1 1 143 1 1 1 1 11 ILE HB . 11 . HB 1 1 143 1 2 1 1 12 LYS H . 12 . H 1 1 144 1 1 1 1 11 ILE MD . 11 . HD1# 1 1 144 1 2 1 1 12 LYS H . 12 . H 1 1 145 1 1 1 1 11 ILE MD . 11 . HD1# 1 1 145 1 2 1 1 14 PHE H . 14 . H 1 1 146 1 1 1 1 11 ILE MD . 11 . HD1# 1 1 146 1 2 1 1 14 PHE QD . 14 . HD# 1 1 147 1 1 1 1 11 ILE MG . 11 . HG2# 1 1 147 1 2 1 1 12 LYS H . 12 . H 1 1 148 1 1 1 1 11 ILE MG . 11 . HG2# 1 1 148 1 2 1 1 14 PHE QD . 14 . HD# 1 1 149 1 1 1 1 12 LYS H . 12 . H 1 1 149 1 2 1 1 12 LYS HA . 12 . HA 1 1 150 1 1 1 1 12 LYS H . 12 . H 1 1 150 1 2 1 1 12 LYS QB . 12 . HB2 1 1 151 1 1 1 1 12 LYS H . 12 . H 1 1 151 1 2 1 1 12 LYS HG2 . 12 . HG2 1 1 152 1 1 1 1 12 LYS H . 12 . H 1 1 152 1 2 1 1 12 LYS HG3 . 12 . HG3 1 1 153 1 1 1 1 12 LYS H . 12 . H 1 1 153 1 2 1 1 13 GLY H . 13 . H 1 1 154 1 1 1 1 12 LYS HA . 12 . HA 1 1 154 1 2 1 1 12 LYS QB . 12 . HB2 1 1 155 1 1 1 1 12 LYS HA . 12 . HA 1 1 155 1 2 1 1 12 LYS QD . 12 . HD2 1 1 156 1 1 1 1 12 LYS HA . 12 . HA 1 1 156 1 2 1 1 12 LYS QE . 12 . HE2 1 1 157 1 1 1 1 12 LYS HA . 12 . HA 1 1 157 1 2 1 1 12 LYS HG2 . 12 . HG2 1 1 158 1 1 1 1 12 LYS HA . 12 . HA 1 1 158 1 2 1 1 12 LYS HG3 . 12 . HG3 1 1 159 1 1 1 1 12 LYS QB . 12 . HB2 1 1 159 1 2 1 1 12 LYS HG2 . 12 . HG2 1 1 160 1 1 1 1 12 LYS QB . 12 . HB2 1 1 160 1 2 1 1 12 LYS HG3 . 12 . HG3 1 1 161 1 1 1 1 12 LYS QB . 12 . HB2 1 1 161 1 2 1 1 13 GLY H . 13 . H 1 1 162 1 1 1 1 12 LYS HB2 . 12 . HB3 1 1 162 1 2 1 1 12 LYS HE3 . 12 . HE3 1 1 163 1 1 1 1 12 LYS HB3 . 12 . HB2 1 1 163 1 2 1 1 12 LYS QE . 12 . HE2 1 1 164 1 1 1 1 12 LYS QD . 12 . HD2 1 1 164 1 2 1 1 12 LYS HE2 . 12 . HE2 1 1 165 1 1 1 1 12 LYS QE . 12 . HE2 1 1 165 1 2 1 1 12 LYS HG2 . 12 . HG2 1 1 166 1 1 1 1 12 LYS QE . 12 . HE2 1 1 166 1 2 1 1 12 LYS HG3 . 12 . HG3 1 1 167 1 1 1 1 14 PHE H . 14 . H 1 1 167 1 2 1 1 14 PHE HA . 14 . HA 1 1 168 1 1 1 1 14 PHE H . 14 . H 1 1 168 1 2 1 1 14 PHE HB2 . 14 . HB2 1 1 169 1 1 1 1 14 PHE H . 14 . H 1 1 169 1 2 1 1 14 PHE HB3 . 14 . HB3 1 1 170 1 1 1 1 14 PHE H . 14 . H 1 1 170 1 2 1 1 14 PHE QD . 14 . HD# 1 1 171 1 1 1 1 14 PHE HA . 14 . HA 1 1 171 1 2 1 1 14 PHE HB2 . 14 . HB2 1 1 172 1 1 1 1 14 PHE HA . 14 . HA 1 1 172 1 2 1 1 14 PHE HB3 . 14 . HB3 1 1 173 1 1 1 1 14 PHE HA . 14 . HA 1 1 173 1 2 1 1 14 PHE QD . 14 . HD# 1 1 174 1 1 1 1 14 PHE HB2 . 14 . HB2 1 1 174 1 2 1 1 14 PHE QD . 14 . HD# 1 1 175 1 1 1 1 14 PHE HB2 . 14 . HB2 1 1 175 1 2 1 1 15 ILE H . 15 . H 1 1 176 1 1 1 1 14 PHE HB3 . 14 . HB3 1 1 176 1 2 1 1 14 PHE QD . 14 . HD# 1 1 177 1 1 1 1 14 PHE HB3 . 14 . HB3 1 1 177 1 2 1 1 15 ILE H . 15 . H 1 1 178 1 1 1 1 14 PHE QD . 14 . HD# 1 1 178 1 2 1 1 15 ILE H . 15 . H 1 1 179 1 1 1 1 15 ILE H . 15 . H 1 1 179 1 2 1 1 15 ILE HA . 15 . HA 1 1 180 1 1 1 1 15 ILE H . 15 . H 1 1 180 1 2 1 1 15 ILE QG . 15 . HG12 1 1 181 1 1 1 1 15 ILE H . 15 . H 1 1 181 1 2 1 1 15 ILE MG . 15 . HG2# 1 1 182 1 1 1 1 15 ILE HA . 15 . HA 1 1 182 1 2 1 1 15 ILE HB . 15 . HB 1 1 183 1 1 1 1 15 ILE HA . 15 . HA 1 1 183 1 2 1 1 15 ILE QG . 15 . HG12 1 1 184 1 1 1 1 15 ILE HA . 15 . HA 1 1 184 1 2 1 1 15 ILE MG . 15 . HG2# 1 1 185 1 1 1 1 15 ILE HB . 15 . HB 1 1 185 1 2 1 1 15 ILE MD . 15 . HD1# 1 1 186 1 1 1 1 15 ILE HB . 15 . HB 1 1 186 1 2 1 1 15 ILE MG . 15 . HG2# 1 1 187 1 1 1 1 15 ILE QG . 15 . HG12 1 1 187 1 2 1 1 15 ILE MG . 15 . HG2# 1 1 188 1 1 1 1 16 SER H . 16 . H 1 1 188 1 2 1 1 16 SER HA . 16 . HA 1 1 189 1 1 1 1 16 SER H . 16 . H 1 1 189 1 2 1 1 16 SER QB . 16 . HB2 1 1 190 1 1 1 1 16 SER HA . 16 . HA 1 1 190 1 2 1 1 16 SER QB . 16 . HB2 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.2 1.6 2.8 1 1 2 1 . . . . . 2.7 1.8 3.6 1 1 3 1 . . . . . 2.7 1.8 3.6 1 1 4 1 . . . . . 2.0 1.5 2.5 1 1 5 1 . . . . . 2.9 1.9 3.9 1 1 6 1 . . . . . 2.2 1.6 2.7 1 1 7 1 . . . . . 3.0 1.9 4.1 1 1 8 1 . . . . . 2.8 1.8 3.8 1 1 9 1 . . . . . 2.9 1.9 3.9 1 1 10 1 . . . . . 3.0 2.0 4.1 1 1 11 1 . . . . . 3.1 1.9 4.3 1 1 12 1 . . . . . 2.4 1.7 3.0 1 1 13 1 . . . . . 3.0 1.8 4.2 1 1 14 1 . . . . . 2.9 1.8 4.0 1 1 15 1 . . . . . 2.8 1.8 3.4 1 1 16 1 . . . . . 2.2 1.6 2.7 1 1 17 1 . . . . . 2.5 1.7 2.8 1 1 18 1 . . . . . 3.2 1.9 4.5 1 1 19 1 . . . . . 3.1 1.9 4.3 1 1 20 1 . . . . . 2.7 1.8 3.1 1 1 21 1 . . . . . 3.4 1.9 4.9 1 1 22 1 . . . . . 2.1 1.6 2.7 1 1 23 1 . . . . . 2.1 1.6 2.7 1 1 24 1 . . . . . 1.6 1.4 1.9 1 1 25 1 . . . . . 3.2 1.9 4.5 1 1 26 1 . . . . . 2.6 1.8 3.3 1 1 27 1 . . . . . 2.9 1.9 3.9 1 1 28 1 . . . . . 2.1 1.5 2.5 1 1 29 1 . . . . . 2.8 1.8 3.6 1 1 30 1 . . . . . 2.7 1.8 3.3 1 1 31 1 . . . . . 2.9 1.8 4.0 1 1 32 1 . . . . . 2.3 1.7 2.9 1 1 33 1 . . . . . 2.5 1.7 3.3 1 1 34 1 . . . . . 2.2 1.6 2.8 1 1 35 1 . . . . . 2.2 1.7 2.8 1 1 36 1 . . . . . 2.3 1.6 3.0 1 1 37 1 . . . . . 2.3 1.7 2.9 1 1 38 1 . . . . . 2.3 1.7 2.9 1 1 39 1 . . . . . 2.2 1.6 2.8 1 1 40 1 . . . . . 2.2 1.6 2.8 1 1 41 1 . . . . . 2.4 1.7 3.1 1 1 42 1 . . . . . 2.4 1.7 3.1 1 1 43 1 . . . . . 2.6 1.8 3.4 1 1 44 1 . . . . . 3.0 1.9 4.1 1 1 45 1 . . . . . 3.2 2.0 4.5 1 1 46 1 . . . . . 2.4 1.7 3.1 1 1 47 1 . . . . . 2.5 1.7 3.1 1 1 48 1 . . . . . 3.0 1.9 3.6 1 1 49 1 . . . . . 2.3 1.6 2.8 1 1 50 1 . . . . . 2.9 1.9 3.9 1 1 51 1 . . . . . 2.9 1.8 4.0 1 1 52 1 . . . . . 3.2 1.9 4.5 1 1 53 1 . . . . . 2.2 1.7 2.8 1 1 54 1 . . . . . 1.9 1.5 2.4 1 1 55 1 . . . . . 2.4 1.7 3.1 1 1 56 1 . . . . . 2.8 1.8 3.4 1 1 57 1 . . . . . 2.8 1.8 3.8 1 1 58 1 . . . . . 3.1 1.9 4.3 1 1 59 1 . . . . . 3.0 1.9 4.1 1 1 60 1 . . . . . 2.8 1.8 3.8 1 1 61 1 . . . . . 3.0 1.9 4.1 1 1 62 1 . . . . . 2.5 1.7 3.3 1 1 63 1 . . . . . 2.6 1.8 3.1 1 1 64 1 . . . . . 2.8 1.8 3.3 1 1 65 1 . . . . . 2.2 1.6 2.6 1 1 66 1 . . . . . 3.4 1.9 4.9 1 1 67 1 . . . . . 2.9 1.9 3.9 1 1 68 1 . . . . . 2.6 1.7 3.3 1 1 69 1 . . . . . 2.1 1.7 2.7 1 1 70 1 . . . . . 2.4 1.7 3.1 1 1 71 1 . . . . . 2.0 1.6 2.5 1 1 72 1 . . . . . 2.2 1.6 2.8 1 1 73 1 . . . . . 2.9 1.8 4.0 1 1 74 1 . . . . . 2.8 1.8 3.8 1 1 75 1 . . . . . 2.6 1.8 3.4 1 1 76 1 . . . . . 3.0 1.9 4.1 1 1 77 1 . . . . . 2.8 1.8 3.8 1 1 78 1 . . . . . 2.9 1.9 3.9 1 1 79 1 . . . . . 2.3 1.6 2.7 1 1 80 1 . . . . . 3.0 1.8 3.8 1 1 81 1 . . . . . 2.8 1.8 3.3 1 1 82 1 . . . . . 2.8 1.8 3.8 1 1 83 1 . . . . . 2.8 1.8 3.8 1 1 84 1 . . . . . 2.7 1.8 3.3 1 1 85 1 . . . . . 2.4 1.7 3.0 1 1 86 1 . . . . . 2.7 1.8 3.6 1 1 87 1 . . . . . 3.0 1.9 4.1 1 1 88 1 . . . . . 2.4 1.7 2.8 1 1 89 1 . . . . . 2.2 1.6 2.8 1 1 90 1 . . . . . 2.2 1.6 2.8 1 1 91 1 . . . . . 2.3 1.6 2.8 1 1 92 1 . . . . . 2.4 1.7 2.9 1 1 93 1 . . . . . 2.6 1.8 3.4 1 1 94 1 . . . . . 2.2 1.6 2.8 1 1 95 1 . . . . . 3.0 1.8 4.2 1 1 96 1 . . . . . 2.9 1.9 3.9 1 1 97 1 . . . . . 2.2 1.6 2.5 1 1 98 1 . . . . . 2.6 1.7 3.1 1 1 99 1 . . . . . 3.2 1.9 4.5 1 1 100 1 . . . . . 2.8 1.8 3.6 1 1 101 1 . . . . . 2.7 1.8 3.6 1 1 102 1 . . . . . 3.0 1.9 4.1 1 1 103 1 . . . . . 2.2 1.6 2.8 1 1 104 1 . . . . . 3.3 1.9 3.8 1 1 105 1 . . . . . 2.4 1.8 3.1 1 1 106 1 . . . . . 2.4 1.7 3.1 1 1 107 1 . . . . . 2.5 1.7 3.3 1 1 108 1 . . . . . 2.5 1.7 3.3 1 1 109 1 . . . . . 2.2 1.6 2.8 1 1 110 1 . . . . . 2.0 1.5 2.5 1 1 111 1 . . . . . 3.1 1.9 4.3 1 1 112 1 . . . . . 2.2 1.6 2.4 1 1 113 1 . . . . . 1.9 1.4 2.4 1 1 114 1 . . . . . 2.6 1.7 3.1 1 1 115 1 . . . . . 2.9 1.9 3.3 1 1 116 1 . . . . . 2.6 1.7 3.5 1 1 117 1 . . . . . 2.4 1.7 3.1 1 1 118 1 . . . . . 2.9 1.9 3.9 1 1 119 1 . . . . . 2.8 1.9 3.8 1 1 120 1 . . . . . 2.3 1.8 3.0 1 1 121 1 . . . . . 2.2 1.6 2.8 1 1 122 1 . . . . . 3.0 1.9 4.1 1 1 123 1 . . . . . 3.4 2.0 4.8 1 1 124 1 . . . . . 2.0 1.5 2.5 1 1 125 1 . . . . . 3.3 2.0 4.6 1 1 126 1 . . . . . 3.1 1.9 4.3 1 1 127 1 . . . . . 2.6 1.7 3.5 1 1 128 1 . . . . . 2.5 1.7 3.3 1 1 129 1 . . . . . 2.6 1.8 3.4 1 1 130 1 . . . . . 2.8 1.8 3.8 1 1 131 1 . . . . . 2.6 1.7 3.1 1 1 132 1 . . . . . 2.4 1.7 2.8 1 1 133 1 . . . . . 3.1 1.9 3.6 1 1 134 1 . . . . . 2.2 1.6 2.5 1 1 135 1 . . . . . 3.0 1.9 4.1 1 1 136 1 . . . . . 2.8 1.8 3.8 1 1 137 1 . . . . . 3.0 1.9 4.1 1 1 138 1 . . . . . 3.0 2.0 4.2 1 1 139 1 . . . . . 2.8 1.8 3.8 1 1 140 1 . . . . . 3.2 1.9 4.5 1 1 141 1 . . . . . 2.1 1.6 2.6 1 1 142 1 . . . . . 1.8 1.5 2.2 1 1 143 1 . . . . . 2.6 1.7 3.5 1 1 144 1 . . . . . 2.9 1.9 3.9 1 1 145 1 . . . . . 3.0 1.9 4.1 1 1 146 1 . . . . . 2.4 1.7 3.1 1 1 147 1 . . . . . 2.6 1.7 3.5 1 1 148 1 . . . . . 2.3 1.7 2.9 1 1 149 1 . . . . . 2.5 1.7 3.3 1 1 150 1 . . . . . 2.2 1.6 2.8 1 1 151 1 . . . . . 3.1 1.9 4.3 1 1 152 1 . . . . . 2.9 1.9 3.9 1 1 153 1 . . . . . 2.8 1.9 3.8 1 1 154 1 . . . . . 2.1 1.6 2.6 1 1 155 1 . . . . . 3.0 1.9 4.1 1 1 156 1 . . . . . 3.3 1.9 4.7 1 1 157 1 . . . . . 2.7 1.8 3.5 1 1 158 1 . . . . . 2.4 1.7 3.1 1 1 159 1 . . . . . 2.4 1.7 3.1 1 1 160 1 . . . . . 2.1 1.6 2.7 1 1 161 1 . . . . . 2.6 1.8 3.4 1 1 162 1 . . . . . 2.9 1.8 4.0 1 1 163 1 . . . . . 3.0 1.8 4.0 1 1 164 1 . . . . . 3.4 2.0 4.8 1 1 165 1 . . . . . 2.7 1.8 3.3 1 1 166 1 . . . . . 2.6 1.8 3.3 1 1 167 1 . . . . . 2.5 1.7 3.3 1 1 168 1 . . . . . 2.5 1.7 3.3 1 1 169 1 . . . . . 2.5 1.7 3.3 1 1 170 1 . . . . . 2.7 1.8 3.6 1 1 171 1 . . . . . 2.4 1.8 3.1 1 1 172 1 . . . . . 2.4 1.8 3.1 1 1 173 1 . . . . . 2.2 1.6 2.8 1 1 174 1 . . . . . 2.3 1.6 3.0 1 1 175 1 . . . . . 2.7 1.8 3.6 1 1 176 1 . . . . . 2.3 1.6 3.0 1 1 177 1 . . . . . 2.8 1.8 3.8 1 1 178 1 . . . . . 2.8 1.8 3.8 1 1 179 1 . . . . . 2.4 1.7 3.1 1 1 180 1 . . . . . 2.7 1.8 3.6 1 1 181 1 . . . . . 2.4 1.7 3.1 1 1 182 1 . . . . . 2.3 1.6 2.8 1 1 183 1 . . . . . 2.7 1.8 3.4 1 1 184 1 . . . . . 2.1 1.6 2.6 1 1 185 1 . . . . . 2.2 1.6 2.8 1 1 186 1 . . . . . 2.0 1.5 2.5 1 1 187 1 . . . . . 2.3 1.6 2.8 1 1 188 1 . . . . . 2.5 1.7 3.3 1 1 189 1 . . . . . 2.3 1.7 2.9 1 1 190 1 . . . . . 2.2 1.7 2.8 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 LYS C C -10.815 1.042 -1.543 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C -12.036 1.940 -1.413 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C -13.218 1.112 -0.899 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C -15.627 1.032 -0.183 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C -16.915 1.820 -0.015 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C -14.489 1.916 -0.673 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H -13.180 3.196 -2.617 1.00 . A A . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H -12.588 1.829 -3.415 1.00 . A A . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H -11.550 3.112 -3.060 1.00 . A A . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H -11.817 2.726 -0.705 1.00 . A A . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H -13.434 0.336 -1.617 1.00 . A A . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H -12.938 0.653 0.038 1.00 . A A . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H -15.793 0.243 -0.902 1.00 . A A . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H -15.351 0.601 0.768 1.00 . A A . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H -16.747 2.614 0.698 1.00 . A A . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H -17.188 2.247 -0.969 1.00 . A A . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H -14.295 2.677 0.068 1.00 . A A . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H -14.780 2.380 -1.602 1.00 . A A . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H -18.205 0.191 -0.203 1.00 . A A . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H -18.898 1.529 0.560 1.00 . A A . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H -17.795 0.560 1.396 1.00 . A A . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N -12.361 2.562 -2.715 1.00 . A A . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N -18.029 0.965 0.468 1.00 . A A . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O -10.555 0.488 -2.613 1.00 . A A . 1 LYS O 1 1 1 25 1 1 2 TRP C C -7.838 0.293 -1.391 1.00 . A A . 2 TRP C 1 1 1 26 1 1 2 TRP CA C -8.922 0.014 -0.351 1.00 . A A . 2 TRP CA 1 1 1 27 1 1 2 TRP CB C -9.399 -1.438 -0.453 1.00 . A A . 2 TRP CB 1 1 1 28 1 1 2 TRP CD1 C -11.707 -1.912 0.549 1.00 . A A . 2 TRP CD1 1 1 1 29 1 1 2 TRP CD2 C -10.015 -2.148 1.993 1.00 . A A . 2 TRP CD2 1 1 1 30 1 1 2 TRP CE2 C -11.220 -2.433 2.661 1.00 . A A . 2 TRP CE2 1 1 1 31 1 1 2 TRP CE3 C -8.816 -2.230 2.706 1.00 . A A . 2 TRP CE3 1 1 1 32 1 1 2 TRP CG C -10.350 -1.821 0.639 1.00 . A A . 2 TRP CG 1 1 1 33 1 1 2 TRP CH2 C -10.077 -2.865 4.672 1.00 . A A . 2 TRP CH2 1 1 1 34 1 1 2 TRP CZ2 C -11.256 -2.792 4.006 1.00 . A A . 2 TRP CZ2 1 1 1 35 1 1 2 TRP CZ3 C -8.862 -2.588 4.040 1.00 . A A . 2 TRP CZ3 1 1 1 36 1 1 2 TRP H H -10.269 1.498 0.323 1.00 . A A . 2 TRP H 1 1 1 37 1 1 2 TRP HA H -8.488 0.157 0.626 1.00 . A A . 2 TRP HA 1 1 1 38 1 1 2 TRP HB2 H -9.902 -1.580 -1.397 1.00 . A A . 2 TRP HB2 1 1 1 39 1 1 2 TRP HB3 H -8.545 -2.097 -0.401 1.00 . A A . 2 TRP HB3 1 1 1 40 1 1 2 TRP HD1 H -12.269 -1.719 -0.352 1.00 . A A . 2 TRP HD1 1 1 1 41 1 1 2 TRP HE1 H -13.190 -2.419 1.946 1.00 . A A . 2 TRP HE1 1 1 1 42 1 1 2 TRP HE3 H -7.868 -2.022 2.233 1.00 . A A . 2 TRP HE3 1 1 1 43 1 1 2 TRP HH2 H -10.070 -3.137 5.711 1.00 . A A . 2 TRP HH2 1 1 1 44 1 1 2 TRP HZ2 H -12.175 -3.013 4.520 1.00 . A A . 2 TRP HZ2 1 1 1 45 1 1 2 TRP HZ3 H -7.948 -2.657 4.611 1.00 . A A . 2 TRP HZ3 1 1 1 46 1 1 2 TRP N N -10.057 0.934 -0.452 1.00 . A A . 2 TRP N 1 1 1 47 1 1 2 TRP NE1 N -12.237 -2.283 1.759 1.00 . A A . 2 TRP NE1 1 1 1 48 1 1 2 TRP O O -7.001 -0.567 -1.666 1.00 . A A . 2 TRP O 1 1 1 49 1 1 3 ALA C C -5.625 2.513 -2.124 1.00 . A A . 3 ALA C 1 1 1 50 1 1 3 ALA CA C -6.779 1.877 -2.882 1.00 . A A . 3 ALA CA 1 1 1 51 1 1 3 ALA CB C -7.294 2.814 -3.959 1.00 . A A . 3 ALA CB 1 1 1 52 1 1 3 ALA H H -8.558 2.126 -1.758 1.00 . A A . 3 ALA H 1 1 1 53 1 1 3 ALA HA H -6.424 0.978 -3.362 1.00 . A A . 3 ALA HA 1 1 1 54 1 1 3 ALA HB1 H -7.469 3.790 -3.535 1.00 . A A . 3 ALA HB1 1 1 1 55 1 1 3 ALA HB2 H -8.216 2.423 -4.364 1.00 . A A . 3 ALA HB2 1 1 1 56 1 1 3 ALA HB3 H -6.555 2.887 -4.748 1.00 . A A . 3 ALA HB3 1 1 1 57 1 1 3 ALA N N -7.834 1.493 -1.957 1.00 . A A . 3 ALA N 1 1 1 58 1 1 3 ALA O O -4.557 2.759 -2.680 1.00 . A A . 3 ALA O 1 1 1 59 1 1 4 VAL C C -3.710 2.226 0.171 1.00 . A A . 4 VAL C 1 1 1 60 1 1 4 VAL CA C -4.815 3.269 0.034 1.00 . A A . 4 VAL CA 1 1 1 61 1 1 4 VAL CB C -5.403 3.593 1.420 1.00 . A A . 4 VAL CB 1 1 1 62 1 1 4 VAL CG1 C -4.346 4.140 2.339 1.00 . A A . 4 VAL CG1 1 1 1 63 1 1 4 VAL CG2 C -6.546 4.583 1.309 1.00 . A A . 4 VAL CG2 1 1 1 64 1 1 4 VAL H H -6.740 2.629 -0.472 1.00 . A A . 4 VAL H 1 1 1 65 1 1 4 VAL HA H -4.410 4.173 -0.396 1.00 . A A . 4 VAL HA 1 1 1 66 1 1 4 VAL HB H -5.788 2.681 1.850 1.00 . A A . 4 VAL HB 1 1 1 67 1 1 4 VAL HG11 H -3.924 5.026 1.897 1.00 . A A . 4 VAL HG11 1 1 1 68 1 1 4 VAL HG12 H -3.576 3.399 2.479 1.00 . A A . 4 VAL HG12 1 1 1 69 1 1 4 VAL HG13 H -4.796 4.387 3.285 1.00 . A A . 4 VAL HG13 1 1 1 70 1 1 4 VAL HG21 H -7.340 4.156 0.714 1.00 . A A . 4 VAL HG21 1 1 1 71 1 1 4 VAL HG22 H -6.190 5.488 0.842 1.00 . A A . 4 VAL HG22 1 1 1 72 1 1 4 VAL HG23 H -6.915 4.809 2.297 1.00 . A A . 4 VAL HG23 1 1 1 73 1 1 4 VAL N N -5.849 2.770 -0.841 1.00 . A A . 4 VAL N 1 1 1 74 1 1 4 VAL O O -2.536 2.551 0.350 1.00 . A A . 4 VAL O 1 1 1 75 1 1 5 ARG C C -2.212 -0.131 -1.070 1.00 . A A . 5 ARG C 1 1 1 76 1 1 5 ARG CA C -3.169 -0.152 0.117 1.00 . A A . 5 ARG CA 1 1 1 77 1 1 5 ARG CB C -3.934 -1.476 0.156 1.00 . A A . 5 ARG CB 1 1 1 78 1 1 5 ARG CD C -4.385 -1.358 2.629 1.00 . A A . 5 ARG CD 1 1 1 79 1 1 5 ARG CG C -4.993 -1.526 1.245 1.00 . A A . 5 ARG CG 1 1 1 80 1 1 5 ARG CZ C -5.245 -1.458 4.938 1.00 . A A . 5 ARG CZ 1 1 1 81 1 1 5 ARG H H -5.055 0.777 -0.110 1.00 . A A . 5 ARG H 1 1 1 82 1 1 5 ARG HA H -2.598 -0.047 1.028 1.00 . A A . 5 ARG HA 1 1 1 83 1 1 5 ARG HB2 H -4.418 -1.628 -0.798 1.00 . A A . 5 ARG HB2 1 1 1 84 1 1 5 ARG HB3 H -3.232 -2.280 0.326 1.00 . A A . 5 ARG HB3 1 1 1 85 1 1 5 ARG HD2 H -3.822 -2.245 2.870 1.00 . A A . 5 ARG HD2 1 1 1 86 1 1 5 ARG HD3 H -3.724 -0.505 2.619 1.00 . A A . 5 ARG HD3 1 1 1 87 1 1 5 ARG HE H -6.253 -0.745 3.364 1.00 . A A . 5 ARG HE 1 1 1 88 1 1 5 ARG HG2 H -5.704 -0.731 1.076 1.00 . A A . 5 ARG HG2 1 1 1 89 1 1 5 ARG HG3 H -5.499 -2.479 1.196 1.00 . A A . 5 ARG HG3 1 1 1 90 1 1 5 ARG HH11 H -3.397 -2.260 4.702 1.00 . A A . 5 ARG HH11 1 1 1 91 1 1 5 ARG HH12 H -4.001 -2.263 6.328 1.00 . A A . 5 ARG HH12 1 1 1 92 1 1 5 ARG HH21 H -7.066 -0.763 5.494 1.00 . A A . 5 ARG HH21 1 1 1 93 1 1 5 ARG HH22 H -6.100 -1.424 6.774 1.00 . A A . 5 ARG HH22 1 1 1 94 1 1 5 ARG N N -4.103 0.964 0.042 1.00 . A A . 5 ARG N 1 1 1 95 1 1 5 ARG NE N -5.405 -1.153 3.653 1.00 . A A . 5 ARG NE 1 1 1 96 1 1 5 ARG NH1 N -4.126 -2.042 5.354 1.00 . A A . 5 ARG NH1 1 1 1 97 1 1 5 ARG NH2 N -6.214 -1.194 5.805 1.00 . A A . 5 ARG NH2 1 1 1 98 1 1 5 ARG O O -1.154 -0.751 -1.036 1.00 . A A . 5 ARG O 1 1 1 99 1 1 6 ILE C C -0.570 1.648 -2.965 1.00 . A A . 6 ILE C 1 1 1 100 1 1 6 ILE CA C -1.766 0.753 -3.299 1.00 . A A . 6 ILE CA 1 1 1 101 1 1 6 ILE CB C -2.575 1.369 -4.476 1.00 . A A . 6 ILE CB 1 1 1 102 1 1 6 ILE CD1 C -4.278 -0.560 -4.205 1.00 . A A . 6 ILE CD1 1 1 1 103 1 1 6 ILE CG1 C -3.516 0.346 -5.149 1.00 . A A . 6 ILE CG1 1 1 1 104 1 1 6 ILE CG2 C -1.640 1.960 -5.520 1.00 . A A . 6 ILE CG2 1 1 1 105 1 1 6 ILE H H -3.473 1.033 -2.085 1.00 . A A . 6 ILE H 1 1 1 106 1 1 6 ILE HA H -1.402 -0.224 -3.596 1.00 . A A . 6 ILE HA 1 1 1 107 1 1 6 ILE HB H -3.172 2.176 -4.077 1.00 . A A . 6 ILE HB 1 1 1 108 1 1 6 ILE HD11 H -5.002 -1.136 -4.763 1.00 . A A . 6 ILE HD11 1 1 1 109 1 1 6 ILE HD12 H -4.784 0.037 -3.463 1.00 . A A . 6 ILE HD12 1 1 1 110 1 1 6 ILE HD13 H -3.587 -1.231 -3.715 1.00 . A A . 6 ILE HD13 1 1 1 111 1 1 6 ILE HG12 H -4.253 0.889 -5.726 1.00 . A A . 6 ILE HG12 1 1 1 112 1 1 6 ILE HG13 H -2.936 -0.278 -5.815 1.00 . A A . 6 ILE HG13 1 1 1 113 1 1 6 ILE HG21 H -2.221 2.415 -6.310 1.00 . A A . 6 ILE HG21 1 1 1 114 1 1 6 ILE HG22 H -1.021 1.177 -5.933 1.00 . A A . 6 ILE HG22 1 1 1 115 1 1 6 ILE HG23 H -1.012 2.708 -5.057 1.00 . A A . 6 ILE HG23 1 1 1 116 1 1 6 ILE N N -2.598 0.590 -2.113 1.00 . A A . 6 ILE N 1 1 1 117 1 1 6 ILE O O 0.544 1.423 -3.428 1.00 . A A . 6 ILE O 1 1 1 118 1 1 7 ILE C C 1.147 2.717 -0.693 1.00 . A A . 7 ILE C 1 1 1 119 1 1 7 ILE CA C 0.270 3.511 -1.656 1.00 . A A . 7 ILE CA 1 1 1 120 1 1 7 ILE CB C -0.258 4.795 -0.962 1.00 . A A . 7 ILE CB 1 1 1 121 1 1 7 ILE CD1 C -2.258 5.267 -2.499 1.00 . A A . 7 ILE CD1 1 1 1 122 1 1 7 ILE CG1 C -0.921 5.745 -1.971 1.00 . A A . 7 ILE CG1 1 1 1 123 1 1 7 ILE CG2 C 0.872 5.521 -0.242 1.00 . A A . 7 ILE CG2 1 1 1 124 1 1 7 ILE H H -1.724 2.822 -1.831 1.00 . A A . 7 ILE H 1 1 1 125 1 1 7 ILE HA H 0.868 3.801 -2.510 1.00 . A A . 7 ILE HA 1 1 1 126 1 1 7 ILE HB H -0.987 4.502 -0.222 1.00 . A A . 7 ILE HB 1 1 1 127 1 1 7 ILE HD11 H -2.655 5.999 -3.187 1.00 . A A . 7 ILE HD11 1 1 1 128 1 1 7 ILE HD12 H -2.945 5.136 -1.677 1.00 . A A . 7 ILE HD12 1 1 1 129 1 1 7 ILE HD13 H -2.127 4.326 -3.012 1.00 . A A . 7 ILE HD13 1 1 1 130 1 1 7 ILE HG12 H -1.080 6.702 -1.499 1.00 . A A . 7 ILE HG12 1 1 1 131 1 1 7 ILE HG13 H -0.259 5.875 -2.816 1.00 . A A . 7 ILE HG13 1 1 1 132 1 1 7 ILE HG21 H 1.621 5.822 -0.961 1.00 . A A . 7 ILE HG21 1 1 1 133 1 1 7 ILE HG22 H 1.318 4.861 0.487 1.00 . A A . 7 ILE HG22 1 1 1 134 1 1 7 ILE HG23 H 0.479 6.395 0.255 1.00 . A A . 7 ILE HG23 1 1 1 135 1 1 7 ILE N N -0.807 2.654 -2.133 1.00 . A A . 7 ILE N 1 1 1 136 1 1 7 ILE O O 2.370 2.855 -0.677 1.00 . A A . 7 ILE O 1 1 1 137 1 1 8 ARG C C 1.986 -0.094 0.136 1.00 . A A . 8 ARG C 1 1 1 138 1 1 8 ARG CA C 1.222 0.936 0.963 1.00 . A A . 8 ARG CA 1 1 1 139 1 1 8 ARG CB C 0.255 0.232 1.918 1.00 . A A . 8 ARG CB 1 1 1 140 1 1 8 ARG CD C 0.593 1.772 3.879 1.00 . A A . 8 ARG CD 1 1 1 141 1 1 8 ARG CG C -0.415 1.169 2.911 1.00 . A A . 8 ARG CG 1 1 1 142 1 1 8 ARG CZ C 2.379 0.947 5.382 1.00 . A A . 8 ARG CZ 1 1 1 143 1 1 8 ARG H H -0.474 1.836 0.072 1.00 . A A . 8 ARG H 1 1 1 144 1 1 8 ARG HA H 1.931 1.514 1.538 1.00 . A A . 8 ARG HA 1 1 1 145 1 1 8 ARG HB2 H -0.514 -0.254 1.338 1.00 . A A . 8 ARG HB2 1 1 1 146 1 1 8 ARG HB3 H 0.799 -0.516 2.475 1.00 . A A . 8 ARG HB3 1 1 1 147 1 1 8 ARG HD2 H 1.328 2.327 3.315 1.00 . A A . 8 ARG HD2 1 1 1 148 1 1 8 ARG HD3 H 0.074 2.441 4.549 1.00 . A A . 8 ARG HD3 1 1 1 149 1 1 8 ARG HE H 0.877 -0.159 4.659 1.00 . A A . 8 ARG HE 1 1 1 150 1 1 8 ARG HG2 H -0.901 1.965 2.368 1.00 . A A . 8 ARG HG2 1 1 1 151 1 1 8 ARG HG3 H -1.151 0.613 3.473 1.00 . A A . 8 ARG HG3 1 1 1 152 1 1 8 ARG HH11 H 2.518 2.921 4.949 1.00 . A A . 8 ARG HH11 1 1 1 153 1 1 8 ARG HH12 H 3.766 2.299 5.978 1.00 . A A . 8 ARG HH12 1 1 1 154 1 1 8 ARG HH21 H 2.499 -0.973 6.023 1.00 . A A . 8 ARG HH21 1 1 1 155 1 1 8 ARG HH22 H 3.757 0.076 6.593 1.00 . A A . 8 ARG HH22 1 1 1 156 1 1 8 ARG N N 0.506 1.852 0.085 1.00 . A A . 8 ARG N 1 1 1 157 1 1 8 ARG NE N 1.273 0.744 4.667 1.00 . A A . 8 ARG NE 1 1 1 158 1 1 8 ARG NH1 N 2.930 2.150 5.441 1.00 . A A . 8 ARG NH1 1 1 1 159 1 1 8 ARG NH2 N 2.920 -0.062 6.053 1.00 . A A . 8 ARG NH2 1 1 1 160 1 1 8 ARG O O 2.944 -0.696 0.613 1.00 . A A . 8 ARG O 1 1 1 161 1 1 9 LYS C C 3.589 -0.575 -2.396 1.00 . A A . 9 LYS C 1 1 1 162 1 1 9 LYS CA C 2.248 -1.177 -2.029 1.00 . A A . 9 LYS CA 1 1 1 163 1 1 9 LYS CB C 1.424 -1.395 -3.292 1.00 . A A . 9 LYS CB 1 1 1 164 1 1 9 LYS CD C 1.543 -3.864 -3.190 1.00 . A A . 9 LYS CD 1 1 1 165 1 1 9 LYS CE C 1.721 -5.134 -3.988 1.00 . A A . 9 LYS CE 1 1 1 166 1 1 9 LYS CG C 1.804 -2.645 -4.039 1.00 . A A . 9 LYS CG 1 1 1 167 1 1 9 LYS H H 0.753 0.186 -1.417 1.00 . A A . 9 LYS H 1 1 1 168 1 1 9 LYS HA H 2.402 -2.122 -1.537 1.00 . A A . 9 LYS HA 1 1 1 169 1 1 9 LYS HB2 H 0.384 -1.473 -3.024 1.00 . A A . 9 LYS HB2 1 1 1 170 1 1 9 LYS HB3 H 1.564 -0.550 -3.953 1.00 . A A . 9 LYS HB3 1 1 1 171 1 1 9 LYS HD2 H 2.240 -3.867 -2.363 1.00 . A A . 9 LYS HD2 1 1 1 172 1 1 9 LYS HD3 H 0.530 -3.817 -2.815 1.00 . A A . 9 LYS HD3 1 1 1 173 1 1 9 LYS HE2 H 2.718 -5.138 -4.396 1.00 . A A . 9 LYS HE2 1 1 1 174 1 1 9 LYS HE3 H 1.594 -5.977 -3.328 1.00 . A A . 9 LYS HE3 1 1 1 175 1 1 9 LYS HG2 H 1.216 -2.709 -4.935 1.00 . A A . 9 LYS HG2 1 1 1 176 1 1 9 LYS HG3 H 2.855 -2.605 -4.290 1.00 . A A . 9 LYS HG3 1 1 1 177 1 1 9 LYS HZ1 H -0.228 -5.213 -4.734 1.00 . A A . 9 LYS HZ1 1 1 1 178 1 1 9 LYS HZ2 H 0.886 -6.120 -5.623 1.00 . A A . 9 LYS HZ2 1 1 1 179 1 1 9 LYS HZ3 H 0.869 -4.439 -5.760 1.00 . A A . 9 LYS HZ3 1 1 1 180 1 1 9 LYS N N 1.559 -0.284 -1.110 1.00 . A A . 9 LYS N 1 1 1 181 1 1 9 LYS NZ N 0.744 -5.232 -5.102 1.00 . A A . 9 LYS NZ 1 1 1 182 1 1 9 LYS O O 4.598 -1.273 -2.502 1.00 . A A . 9 LYS O 1 1 1 183 1 1 10 PHE C C 5.722 1.364 -1.624 1.00 . A A . 10 PHE C 1 1 1 184 1 1 10 PHE CA C 4.803 1.484 -2.829 1.00 . A A . 10 PHE CA 1 1 1 185 1 1 10 PHE CB C 4.479 2.954 -3.088 1.00 . A A . 10 PHE CB 1 1 1 186 1 1 10 PHE CD1 C 3.297 2.259 -5.202 1.00 . A A . 10 PHE CD1 1 1 1 187 1 1 10 PHE CD2 C 2.692 4.327 -4.180 1.00 . A A . 10 PHE CD2 1 1 1 188 1 1 10 PHE CE1 C 2.371 2.479 -6.203 1.00 . A A . 10 PHE CE1 1 1 1 189 1 1 10 PHE CE2 C 1.763 4.553 -5.179 1.00 . A A . 10 PHE CE2 1 1 1 190 1 1 10 PHE CG C 3.467 3.181 -4.179 1.00 . A A . 10 PHE CG 1 1 1 191 1 1 10 PHE CZ C 1.603 3.627 -6.192 1.00 . A A . 10 PHE CZ 1 1 1 192 1 1 10 PHE H H 2.726 1.215 -2.552 1.00 . A A . 10 PHE H 1 1 1 193 1 1 10 PHE HA H 5.291 1.062 -3.694 1.00 . A A . 10 PHE HA 1 1 1 194 1 1 10 PHE HB2 H 4.083 3.388 -2.180 1.00 . A A . 10 PHE HB2 1 1 1 195 1 1 10 PHE HB3 H 5.386 3.471 -3.362 1.00 . A A . 10 PHE HB3 1 1 1 196 1 1 10 PHE HD1 H 3.891 1.357 -5.205 1.00 . A A . 10 PHE HD1 1 1 1 197 1 1 10 PHE HD2 H 2.817 5.049 -3.387 1.00 . A A . 10 PHE HD2 1 1 1 198 1 1 10 PHE HE1 H 2.248 1.754 -6.994 1.00 . A A . 10 PHE HE1 1 1 1 199 1 1 10 PHE HE2 H 1.164 5.451 -5.167 1.00 . A A . 10 PHE HE2 1 1 1 200 1 1 10 PHE HZ H 0.879 3.802 -6.974 1.00 . A A . 10 PHE HZ 1 1 1 201 1 1 10 PHE N N 3.584 0.736 -2.578 1.00 . A A . 10 PHE N 1 1 1 202 1 1 10 PHE O O 6.942 1.281 -1.755 1.00 . A A . 10 PHE O 1 1 1 203 1 1 11 ILE C C 6.430 -0.236 0.847 1.00 . A A . 11 ILE C 1 1 1 204 1 1 11 ILE CA C 5.829 1.151 0.807 1.00 . A A . 11 ILE CA 1 1 1 205 1 1 11 ILE CB C 4.919 1.392 2.040 1.00 . A A . 11 ILE CB 1 1 1 206 1 1 11 ILE CD1 C 4.929 3.762 1.143 1.00 . A A . 11 ILE CD1 1 1 1 207 1 1 11 ILE CG1 C 4.856 2.885 2.365 1.00 . A A . 11 ILE CG1 1 1 1 208 1 1 11 ILE CG2 C 5.434 0.627 3.244 1.00 . A A . 11 ILE CG2 1 1 1 209 1 1 11 ILE H H 4.138 1.495 -0.424 1.00 . A A . 11 ILE H 1 1 1 210 1 1 11 ILE HA H 6.633 1.866 0.850 1.00 . A A . 11 ILE HA 1 1 1 211 1 1 11 ILE HB H 3.929 1.036 1.808 1.00 . A A . 11 ILE HB 1 1 1 212 1 1 11 ILE HD11 H 5.883 3.600 0.652 1.00 . A A . 11 ILE HD11 1 1 1 213 1 1 11 ILE HD12 H 4.832 4.798 1.427 1.00 . A A . 11 ILE HD12 1 1 1 214 1 1 11 ILE HD13 H 4.132 3.487 0.466 1.00 . A A . 11 ILE HD13 1 1 1 215 1 1 11 ILE HG12 H 3.928 3.097 2.873 1.00 . A A . 11 ILE HG12 1 1 1 216 1 1 11 ILE HG13 H 5.684 3.142 3.010 1.00 . A A . 11 ILE HG13 1 1 1 217 1 1 11 ILE HG21 H 5.370 -0.434 3.052 1.00 . A A . 11 ILE HG21 1 1 1 218 1 1 11 ILE HG22 H 4.845 0.876 4.113 1.00 . A A . 11 ILE HG22 1 1 1 219 1 1 11 ILE HG23 H 6.466 0.898 3.415 1.00 . A A . 11 ILE HG23 1 1 1 220 1 1 11 ILE N N 5.109 1.351 -0.448 1.00 . A A . 11 ILE N 1 1 1 221 1 1 11 ILE O O 7.549 -0.417 1.313 1.00 . A A . 11 ILE O 1 1 1 222 1 1 12 LYS C C 7.381 -2.653 -0.728 1.00 . A A . 12 LYS C 1 1 1 223 1 1 12 LYS CA C 6.195 -2.568 0.227 1.00 . A A . 12 LYS CA 1 1 1 224 1 1 12 LYS CB C 5.084 -3.522 -0.212 1.00 . A A . 12 LYS CB 1 1 1 225 1 1 12 LYS CD C 2.910 -4.639 0.364 1.00 . A A . 12 LYS CD 1 1 1 226 1 1 12 LYS CE C 1.925 -4.950 1.475 1.00 . A A . 12 LYS CE 1 1 1 227 1 1 12 LYS CG C 4.036 -3.752 0.862 1.00 . A A . 12 LYS CG 1 1 1 228 1 1 12 LYS H H 4.806 -0.974 -0.044 1.00 . A A . 12 LYS H 1 1 1 229 1 1 12 LYS HA H 6.529 -2.854 1.215 1.00 . A A . 12 LYS HA 1 1 1 230 1 1 12 LYS HB2 H 4.595 -3.110 -1.084 1.00 . A A . 12 LYS HB2 1 1 1 231 1 1 12 LYS HB3 H 5.521 -4.475 -0.470 1.00 . A A . 12 LYS HB3 1 1 1 232 1 1 12 LYS HD2 H 2.390 -4.131 -0.432 1.00 . A A . 12 LYS HD2 1 1 1 233 1 1 12 LYS HD3 H 3.328 -5.564 -0.006 1.00 . A A . 12 LYS HD3 1 1 1 234 1 1 12 LYS HE2 H 2.427 -5.535 2.229 1.00 . A A . 12 LYS HE2 1 1 1 235 1 1 12 LYS HE3 H 1.583 -4.021 1.909 1.00 . A A . 12 LYS HE3 1 1 1 236 1 1 12 LYS HG2 H 4.503 -4.225 1.712 1.00 . A A . 12 LYS HG2 1 1 1 237 1 1 12 LYS HG3 H 3.625 -2.798 1.159 1.00 . A A . 12 LYS HG3 1 1 1 238 1 1 12 LYS HZ1 H 0.239 -5.144 0.267 1.00 . A A . 12 LYS HZ1 1 1 1 239 1 1 12 LYS HZ2 H 0.109 -5.932 1.758 1.00 . A A . 12 LYS HZ2 1 1 1 240 1 1 12 LYS HZ3 H 1.064 -6.598 0.533 1.00 . A A . 12 LYS HZ3 1 1 1 241 1 1 12 LYS N N 5.702 -1.197 0.309 1.00 . A A . 12 LYS N 1 1 1 242 1 1 12 LYS NZ N 0.754 -5.710 0.974 1.00 . A A . 12 LYS NZ 1 1 1 243 1 1 12 LYS O O 8.170 -3.595 -0.677 1.00 . A A . 12 LYS O 1 1 1 244 1 1 13 GLY C C 9.749 -0.718 -1.838 1.00 . A A . 13 GLY C 1 1 1 245 1 1 13 GLY CA C 8.651 -1.557 -2.465 1.00 . A A . 13 GLY CA 1 1 1 246 1 1 13 GLY H H 6.776 -0.995 -1.668 1.00 . A A . 13 GLY H 1 1 1 247 1 1 13 GLY HA2 H 9.034 -2.549 -2.661 1.00 . A A . 13 GLY HA2 1 1 1 248 1 1 13 GLY HA3 H 8.353 -1.103 -3.400 1.00 . A A . 13 GLY HA3 1 1 1 249 1 1 13 GLY N N 7.494 -1.662 -1.603 1.00 . A A . 13 GLY N 1 1 1 250 1 1 13 GLY O O 10.925 -0.867 -2.169 1.00 . A A . 13 GLY O 1 1 1 251 1 1 14 PHE C C 10.993 0.302 0.885 1.00 . A A . 14 PHE C 1 1 1 252 1 1 14 PHE CA C 10.285 1.043 -0.244 1.00 . A A . 14 PHE CA 1 1 1 253 1 1 14 PHE CB C 9.476 2.228 0.263 1.00 . A A . 14 PHE CB 1 1 1 254 1 1 14 PHE CD1 C 9.115 2.794 2.639 1.00 . A A . 14 PHE CD1 1 1 1 255 1 1 14 PHE CD2 C 11.169 3.456 1.639 1.00 . A A . 14 PHE CD2 1 1 1 256 1 1 14 PHE CE1 C 9.505 3.357 3.837 1.00 . A A . 14 PHE CE1 1 1 1 257 1 1 14 PHE CE2 C 11.574 4.023 2.832 1.00 . A A . 14 PHE CE2 1 1 1 258 1 1 14 PHE CG C 9.939 2.838 1.539 1.00 . A A . 14 PHE CG 1 1 1 259 1 1 14 PHE CZ C 10.739 3.975 3.934 1.00 . A A . 14 PHE CZ 1 1 1 260 1 1 14 PHE H H 8.396 0.260 -0.718 1.00 . A A . 14 PHE H 1 1 1 261 1 1 14 PHE HA H 11.020 1.395 -0.952 1.00 . A A . 14 PHE HA 1 1 1 262 1 1 14 PHE HB2 H 9.488 2.989 -0.480 1.00 . A A . 14 PHE HB2 1 1 1 263 1 1 14 PHE HB3 H 8.458 1.905 0.407 1.00 . A A . 14 PHE HB3 1 1 1 264 1 1 14 PHE HD1 H 8.150 2.306 2.548 1.00 . A A . 14 PHE HD1 1 1 1 265 1 1 14 PHE HD2 H 11.816 3.485 0.775 1.00 . A A . 14 PHE HD2 1 1 1 266 1 1 14 PHE HE1 H 8.849 3.317 4.695 1.00 . A A . 14 PHE HE1 1 1 1 267 1 1 14 PHE HE2 H 12.539 4.503 2.904 1.00 . A A . 14 PHE HE2 1 1 1 268 1 1 14 PHE HZ H 11.051 4.419 4.868 1.00 . A A . 14 PHE HZ 1 1 1 269 1 1 14 PHE N N 9.358 0.172 -0.933 1.00 . A A . 14 PHE N 1 1 1 270 1 1 14 PHE O O 12.217 0.330 0.994 1.00 . A A . 14 PHE O 1 1 1 271 1 1 15 ILE C C 11.473 -2.398 2.342 1.00 . A A . 15 ILE C 1 1 1 272 1 1 15 ILE CA C 10.752 -1.144 2.830 1.00 . A A . 15 ILE CA 1 1 1 273 1 1 15 ILE CB C 9.655 -1.571 3.830 1.00 . A A . 15 ILE CB 1 1 1 274 1 1 15 ILE CD1 C 7.539 -2.983 4.069 1.00 . A A . 15 ILE CD1 1 1 1 275 1 1 15 ILE CG1 C 8.639 -2.497 3.151 1.00 . A A . 15 ILE CG1 1 1 1 276 1 1 15 ILE CG2 C 8.968 -0.346 4.417 1.00 . A A . 15 ILE CG2 1 1 1 277 1 1 15 ILE H H 9.234 -0.301 1.586 1.00 . A A . 15 ILE H 1 1 1 278 1 1 15 ILE HA H 11.461 -0.520 3.356 1.00 . A A . 15 ILE HA 1 1 1 279 1 1 15 ILE HB H 10.131 -2.104 4.641 1.00 . A A . 15 ILE HB 1 1 1 280 1 1 15 ILE HD11 H 6.976 -2.137 4.433 1.00 . A A . 15 ILE HD11 1 1 1 281 1 1 15 ILE HD12 H 7.975 -3.513 4.903 1.00 . A A . 15 ILE HD12 1 1 1 282 1 1 15 ILE HD13 H 6.883 -3.646 3.525 1.00 . A A . 15 ILE HD13 1 1 1 283 1 1 15 ILE HG12 H 8.173 -1.968 2.335 1.00 . A A . 15 ILE HG12 1 1 1 284 1 1 15 ILE HG13 H 9.156 -3.364 2.764 1.00 . A A . 15 ILE HG13 1 1 1 285 1 1 15 ILE HG21 H 9.689 0.244 4.961 1.00 . A A . 15 ILE HG21 1 1 1 286 1 1 15 ILE HG22 H 8.181 -0.660 5.086 1.00 . A A . 15 ILE HG22 1 1 1 287 1 1 15 ILE HG23 H 8.547 0.246 3.618 1.00 . A A . 15 ILE HG23 1 1 1 288 1 1 15 ILE N N 10.210 -0.361 1.715 1.00 . A A . 15 ILE N 1 1 1 289 1 1 15 ILE O O 12.216 -3.029 3.093 1.00 . A A . 15 ILE O 1 1 1 290 1 1 16 SER C C 12.212 -3.721 -0.941 1.00 . A A . 16 SER C 1 1 1 291 1 1 16 SER CA C 11.856 -3.954 0.524 1.00 . A A . 16 SER CA 1 1 1 292 1 1 16 SER CB C 10.908 -5.148 0.667 1.00 . A A . 16 SER CB 1 1 1 293 1 1 16 SER H H 10.647 -2.226 0.533 1.00 . A A . 16 SER H 1 1 1 294 1 1 16 SER HA H 12.761 -4.156 1.076 1.00 . A A . 16 SER HA 1 1 1 295 1 1 16 SER HB2 H 10.013 -4.967 0.092 1.00 . A A . 16 SER HB2 1 1 1 296 1 1 16 SER HB3 H 11.396 -6.040 0.305 1.00 . A A . 16 SER HB3 1 1 1 297 1 1 16 SER HG H 11.135 -4.821 2.588 1.00 . A A . 16 SER HG 1 1 1 298 1 1 16 SER N N 11.243 -2.767 1.092 1.00 . A A . 16 SER N 1 1 1 299 1 1 16 SER O O 11.364 -3.989 -1.813 1.00 . A A . 16 SER O 1 1 1 300 1 1 16 SER OXT O 13.338 -3.253 -1.211 1.00 . A A . 16 SER OXT 1 1 1 301 1 1 16 SER OG O 10.547 -5.343 2.027 1.00 . A A . 16 SER OG 1 1 2 302 1 1 1 LYS C C -10.789 0.832 0.273 1.00 . A A . 1 LYS C 1 1 2 303 1 1 1 LYS CA C -12.138 1.312 -0.256 1.00 . A A . 1 LYS CA 1 1 2 304 1 1 1 LYS CB C -12.456 2.714 0.284 1.00 . A A . 1 LYS CB 1 1 2 305 1 1 1 LYS CD C -12.976 4.166 2.278 1.00 . A A . 1 LYS CD 1 1 2 306 1 1 1 LYS CE C -11.667 4.942 2.278 1.00 . A A . 1 LYS CE 1 1 2 307 1 1 1 LYS CG C -12.792 2.745 1.768 1.00 . A A . 1 LYS CG 1 1 2 308 1 1 1 LYS H1 H -13.259 0.260 1.144 1.00 . A A . 1 LYS H1 1 1 2 309 1 1 1 LYS H2 H -13.017 -0.571 -0.305 1.00 . A A . 1 LYS H2 1 1 2 310 1 1 1 LYS H3 H -14.128 0.699 -0.236 1.00 . A A . 1 LYS H3 1 1 2 311 1 1 1 LYS HA H -12.089 1.355 -1.334 1.00 . A A . 1 LYS HA 1 1 2 312 1 1 1 LYS HB2 H -11.600 3.349 0.119 1.00 . A A . 1 LYS HB2 1 1 2 313 1 1 1 LYS HB3 H -13.298 3.114 -0.263 1.00 . A A . 1 LYS HB3 1 1 2 314 1 1 1 LYS HD2 H -13.681 4.676 1.641 1.00 . A A . 1 LYS HD2 1 1 2 315 1 1 1 LYS HD3 H -13.361 4.128 3.286 1.00 . A A . 1 LYS HD3 1 1 2 316 1 1 1 LYS HE2 H -10.966 4.444 2.930 1.00 . A A . 1 LYS HE2 1 1 2 317 1 1 1 LYS HE3 H -11.272 4.958 1.273 1.00 . A A . 1 LYS HE3 1 1 2 318 1 1 1 LYS HG2 H -13.707 2.197 1.931 1.00 . A A . 1 LYS HG2 1 1 2 319 1 1 1 LYS HG3 H -11.988 2.277 2.317 1.00 . A A . 1 LYS HG3 1 1 2 320 1 1 1 LYS HZ1 H -12.507 6.845 2.115 1.00 . A A . 1 LYS HZ1 1 1 2 321 1 1 1 LYS HZ2 H -10.942 6.840 2.748 1.00 . A A . 1 LYS HZ2 1 1 2 322 1 1 1 LYS HZ3 H -12.242 6.349 3.710 1.00 . A A . 1 LYS HZ3 1 1 2 323 1 1 1 LYS N N -13.210 0.361 0.113 1.00 . A A . 1 LYS N 1 1 2 324 1 1 1 LYS NZ N -11.853 6.340 2.746 1.00 . A A . 1 LYS NZ 1 1 2 325 1 1 1 LYS O O -10.567 0.775 1.483 1.00 . A A . 1 LYS O 1 1 2 326 1 1 2 TRP C C -7.527 0.472 -1.286 1.00 . A A . 2 TRP C 1 1 2 327 1 1 2 TRP CA C -8.567 0.015 -0.270 1.00 . A A . 2 TRP CA 1 1 2 328 1 1 2 TRP CB C -8.522 -1.511 -0.119 1.00 . A A . 2 TRP CB 1 1 2 329 1 1 2 TRP CD1 C -8.312 -1.881 2.407 1.00 . A A . 2 TRP CD1 1 1 2 330 1 1 2 TRP CD2 C -10.200 -2.689 1.521 1.00 . A A . 2 TRP CD2 1 1 2 331 1 1 2 TRP CE2 C -10.203 -2.954 2.903 1.00 . A A . 2 TRP CE2 1 1 2 332 1 1 2 TRP CE3 C -11.290 -3.110 0.756 1.00 . A A . 2 TRP CE3 1 1 2 333 1 1 2 TRP CG C -8.982 -1.999 1.223 1.00 . A A . 2 TRP CG 1 1 2 334 1 1 2 TRP CH2 C -12.298 -4.013 2.761 1.00 . A A . 2 TRP CH2 1 1 2 335 1 1 2 TRP CZ2 C -11.253 -3.616 3.530 1.00 . A A . 2 TRP CZ2 1 1 2 336 1 1 2 TRP CZ3 C -12.329 -3.768 1.386 1.00 . A A . 2 TRP CZ3 1 1 2 337 1 1 2 TRP H H -10.132 0.518 -1.585 1.00 . A A . 2 TRP H 1 1 2 338 1 1 2 TRP HA H -8.334 0.463 0.677 1.00 . A A . 2 TRP HA 1 1 2 339 1 1 2 TRP HB2 H -9.156 -1.959 -0.870 1.00 . A A . 2 TRP HB2 1 1 2 340 1 1 2 TRP HB3 H -7.507 -1.848 -0.266 1.00 . A A . 2 TRP HB3 1 1 2 341 1 1 2 TRP HD1 H -7.350 -1.404 2.516 1.00 . A A . 2 TRP HD1 1 1 2 342 1 1 2 TRP HE1 H -8.772 -2.489 4.367 1.00 . A A . 2 TRP HE1 1 1 2 343 1 1 2 TRP HE3 H -11.330 -2.929 -0.306 1.00 . A A . 2 TRP HE3 1 1 2 344 1 1 2 TRP HH2 H -13.124 -4.529 3.215 1.00 . A A . 2 TRP HH2 1 1 2 345 1 1 2 TRP HZ2 H -11.258 -3.819 4.586 1.00 . A A . 2 TRP HZ2 1 1 2 346 1 1 2 TRP HZ3 H -13.180 -4.103 0.816 1.00 . A A . 2 TRP HZ3 1 1 2 347 1 1 2 TRP N N -9.896 0.471 -0.638 1.00 . A A . 2 TRP N 1 1 2 348 1 1 2 TRP NE1 N -9.041 -2.449 3.422 1.00 . A A . 2 TRP NE1 1 1 2 349 1 1 2 TRP O O -6.539 -0.218 -1.531 1.00 . A A . 2 TRP O 1 1 2 350 1 1 3 ALA C C -5.557 2.722 -2.026 1.00 . A A . 3 ALA C 1 1 2 351 1 1 3 ALA CA C -6.767 2.209 -2.793 1.00 . A A . 3 ALA CA 1 1 2 352 1 1 3 ALA CB C -7.380 3.319 -3.625 1.00 . A A . 3 ALA CB 1 1 2 353 1 1 3 ALA H H -8.567 2.138 -1.677 1.00 . A A . 3 ALA H 1 1 2 354 1 1 3 ALA HA H -6.449 1.421 -3.461 1.00 . A A . 3 ALA HA 1 1 2 355 1 1 3 ALA HB1 H -7.635 4.151 -2.986 1.00 . A A . 3 ALA HB1 1 1 2 356 1 1 3 ALA HB2 H -8.271 2.952 -4.113 1.00 . A A . 3 ALA HB2 1 1 2 357 1 1 3 ALA HB3 H -6.667 3.641 -4.370 1.00 . A A . 3 ALA HB3 1 1 2 358 1 1 3 ALA N N -7.740 1.644 -1.870 1.00 . A A . 3 ALA N 1 1 2 359 1 1 3 ALA O O -4.471 2.871 -2.580 1.00 . A A . 3 ALA O 1 1 2 360 1 1 4 VAL C C -3.652 2.246 0.237 1.00 . A A . 4 VAL C 1 1 2 361 1 1 4 VAL CA C -4.685 3.369 0.150 1.00 . A A . 4 VAL CA 1 1 2 362 1 1 4 VAL CB C -5.233 3.678 1.556 1.00 . A A . 4 VAL CB 1 1 2 363 1 1 4 VAL CG1 C -4.191 4.369 2.394 1.00 . A A . 4 VAL CG1 1 1 2 364 1 1 4 VAL CG2 C -6.481 4.537 1.482 1.00 . A A . 4 VAL CG2 1 1 2 365 1 1 4 VAL H H -6.666 2.940 -0.380 1.00 . A A . 4 VAL H 1 1 2 366 1 1 4 VAL HA H -4.217 4.258 -0.244 1.00 . A A . 4 VAL HA 1 1 2 367 1 1 4 VAL HB H -5.491 2.746 2.035 1.00 . A A . 4 VAL HB 1 1 2 368 1 1 4 VAL HG11 H -3.335 3.725 2.507 1.00 . A A . 4 VAL HG11 1 1 2 369 1 1 4 VAL HG12 H -4.612 4.595 3.360 1.00 . A A . 4 VAL HG12 1 1 2 370 1 1 4 VAL HG13 H -3.899 5.281 1.903 1.00 . A A . 4 VAL HG13 1 1 2 371 1 1 4 VAL HG21 H -7.275 3.983 1.005 1.00 . A A . 4 VAL HG21 1 1 2 372 1 1 4 VAL HG22 H -6.267 5.429 0.912 1.00 . A A . 4 VAL HG22 1 1 2 373 1 1 4 VAL HG23 H -6.780 4.812 2.483 1.00 . A A . 4 VAL HG23 1 1 2 374 1 1 4 VAL N N -5.760 2.986 -0.740 1.00 . A A . 4 VAL N 1 1 2 375 1 1 4 VAL O O -2.464 2.484 0.458 1.00 . A A . 4 VAL O 1 1 2 376 1 1 5 ARG C C -2.310 -0.148 -1.160 1.00 . A A . 5 ARG C 1 1 2 377 1 1 5 ARG CA C -3.246 -0.152 0.044 1.00 . A A . 5 ARG CA 1 1 2 378 1 1 5 ARG CB C -4.075 -1.441 0.072 1.00 . A A . 5 ARG CB 1 1 2 379 1 1 5 ARG CD C -4.017 -1.792 2.562 1.00 . A A . 5 ARG CD 1 1 2 380 1 1 5 ARG CG C -4.900 -1.612 1.338 1.00 . A A . 5 ARG CG 1 1 2 381 1 1 5 ARG CZ C -4.263 -2.091 5.000 1.00 . A A . 5 ARG CZ 1 1 2 382 1 1 5 ARG H H -5.071 0.894 -0.155 1.00 . A A . 5 ARG H 1 1 2 383 1 1 5 ARG HA H -2.649 -0.100 0.941 1.00 . A A . 5 ARG HA 1 1 2 384 1 1 5 ARG HB2 H -4.749 -1.440 -0.772 1.00 . A A . 5 ARG HB2 1 1 2 385 1 1 5 ARG HB3 H -3.408 -2.285 -0.013 1.00 . A A . 5 ARG HB3 1 1 2 386 1 1 5 ARG HD2 H -3.445 -2.698 2.445 1.00 . A A . 5 ARG HD2 1 1 2 387 1 1 5 ARG HD3 H -3.345 -0.950 2.634 1.00 . A A . 5 ARG HD3 1 1 2 388 1 1 5 ARG HE H -5.771 -1.775 3.721 1.00 . A A . 5 ARG HE 1 1 2 389 1 1 5 ARG HG2 H -5.515 -0.735 1.478 1.00 . A A . 5 ARG HG2 1 1 2 390 1 1 5 ARG HG3 H -5.531 -2.482 1.230 1.00 . A A . 5 ARG HG3 1 1 2 391 1 1 5 ARG HH11 H -2.356 -2.219 4.326 1.00 . A A . 5 ARG HH11 1 1 2 392 1 1 5 ARG HH12 H -2.550 -2.409 6.037 1.00 . A A . 5 ARG HH12 1 1 2 393 1 1 5 ARG HH21 H -6.037 -2.027 5.983 1.00 . A A . 5 ARG HH21 1 1 2 394 1 1 5 ARG HH22 H -4.643 -2.296 6.981 1.00 . A A . 5 ARG HH22 1 1 2 395 1 1 5 ARG N N -4.115 1.017 0.025 1.00 . A A . 5 ARG N 1 1 2 396 1 1 5 ARG NE N -4.797 -1.883 3.796 1.00 . A A . 5 ARG NE 1 1 2 397 1 1 5 ARG NH1 N -2.951 -2.251 5.131 1.00 . A A . 5 ARG NH1 1 1 2 398 1 1 5 ARG NH2 N -5.043 -2.142 6.073 1.00 . A A . 5 ARG NH2 1 1 2 399 1 1 5 ARG O O -1.291 -0.832 -1.163 1.00 . A A . 5 ARG O 1 1 2 400 1 1 6 ILE C C -0.606 1.675 -2.977 1.00 . A A . 6 ILE C 1 1 2 401 1 1 6 ILE CA C -1.793 0.791 -3.341 1.00 . A A . 6 ILE CA 1 1 2 402 1 1 6 ILE CB C -2.541 1.403 -4.532 1.00 . A A . 6 ILE CB 1 1 2 403 1 1 6 ILE CD1 C -4.050 0.361 -6.278 1.00 . A A . 6 ILE CD1 1 1 2 404 1 1 6 ILE CG1 C -3.799 0.582 -4.816 1.00 . A A . 6 ILE CG1 1 1 2 405 1 1 6 ILE CG2 C -1.625 1.472 -5.752 1.00 . A A . 6 ILE CG2 1 1 2 406 1 1 6 ILE H H -3.517 1.100 -2.154 1.00 . A A . 6 ILE H 1 1 2 407 1 1 6 ILE HA H -1.434 -0.192 -3.640 1.00 . A A . 6 ILE HA 1 1 2 408 1 1 6 ILE HB H -2.831 2.408 -4.277 1.00 . A A . 6 ILE HB 1 1 2 409 1 1 6 ILE HD11 H -4.950 -0.216 -6.408 1.00 . A A . 6 ILE HD11 1 1 2 410 1 1 6 ILE HD12 H -3.210 -0.173 -6.695 1.00 . A A . 6 ILE HD12 1 1 2 411 1 1 6 ILE HD13 H -4.151 1.316 -6.767 1.00 . A A . 6 ILE HD13 1 1 2 412 1 1 6 ILE HG12 H -3.706 -0.385 -4.345 1.00 . A A . 6 ILE HG12 1 1 2 413 1 1 6 ILE HG13 H -4.658 1.099 -4.405 1.00 . A A . 6 ILE HG13 1 1 2 414 1 1 6 ILE HG21 H -1.321 0.475 -6.030 1.00 . A A . 6 ILE HG21 1 1 2 415 1 1 6 ILE HG22 H -0.752 2.061 -5.513 1.00 . A A . 6 ILE HG22 1 1 2 416 1 1 6 ILE HG23 H -2.155 1.931 -6.574 1.00 . A A . 6 ILE HG23 1 1 2 417 1 1 6 ILE N N -2.658 0.627 -2.181 1.00 . A A . 6 ILE N 1 1 2 418 1 1 6 ILE O O 0.501 1.495 -3.475 1.00 . A A . 6 ILE O 1 1 2 419 1 1 7 ILE C C 1.116 2.552 -0.663 1.00 . A A . 7 ILE C 1 1 2 420 1 1 7 ILE CA C 0.252 3.434 -1.557 1.00 . A A . 7 ILE CA 1 1 2 421 1 1 7 ILE CB C -0.253 4.675 -0.773 1.00 . A A . 7 ILE CB 1 1 2 422 1 1 7 ILE CD1 C -2.201 5.344 -2.309 1.00 . A A . 7 ILE CD1 1 1 2 423 1 1 7 ILE CG1 C -0.856 5.722 -1.724 1.00 . A A . 7 ILE CG1 1 1 2 424 1 1 7 ILE CG2 C 0.874 5.302 0.036 1.00 . A A . 7 ILE CG2 1 1 2 425 1 1 7 ILE H H -1.755 2.806 -1.794 1.00 . A A . 7 ILE H 1 1 2 426 1 1 7 ILE HA H 0.852 3.775 -2.390 1.00 . A A . 7 ILE HA 1 1 2 427 1 1 7 ILE HB H -1.016 4.348 -0.082 1.00 . A A . 7 ILE HB 1 1 2 428 1 1 7 ILE HD11 H -2.527 6.116 -2.990 1.00 . A A . 7 ILE HD11 1 1 2 429 1 1 7 ILE HD12 H -2.922 5.239 -1.513 1.00 . A A . 7 ILE HD12 1 1 2 430 1 1 7 ILE HD13 H -2.112 4.408 -2.840 1.00 . A A . 7 ILE HD13 1 1 2 431 1 1 7 ILE HG12 H -0.984 6.649 -1.188 1.00 . A A . 7 ILE HG12 1 1 2 432 1 1 7 ILE HG13 H -0.172 5.883 -2.545 1.00 . A A . 7 ILE HG13 1 1 2 433 1 1 7 ILE HG21 H 0.493 6.144 0.593 1.00 . A A . 7 ILE HG21 1 1 2 434 1 1 7 ILE HG22 H 1.654 5.635 -0.633 1.00 . A A . 7 ILE HG22 1 1 2 435 1 1 7 ILE HG23 H 1.276 4.569 0.721 1.00 . A A . 7 ILE HG23 1 1 2 436 1 1 7 ILE N N -0.837 2.633 -2.091 1.00 . A A . 7 ILE N 1 1 2 437 1 1 7 ILE O O 2.340 2.644 -0.671 1.00 . A A . 7 ILE O 1 1 2 438 1 1 8 ARG C C 1.924 -0.301 -0.033 1.00 . A A . 8 ARG C 1 1 2 439 1 1 8 ARG CA C 1.161 0.660 0.875 1.00 . A A . 8 ARG CA 1 1 2 440 1 1 8 ARG CB C 0.180 -0.133 1.730 1.00 . A A . 8 ARG CB 1 1 2 441 1 1 8 ARG CD C 0.160 1.258 3.846 1.00 . A A . 8 ARG CD 1 1 2 442 1 1 8 ARG CG C -0.653 0.704 2.685 1.00 . A A . 8 ARG CG 1 1 2 443 1 1 8 ARG CZ C 0.175 3.716 3.621 1.00 . A A . 8 ARG CZ 1 1 2 444 1 1 8 ARG H H -0.521 1.682 0.086 1.00 . A A . 8 ARG H 1 1 2 445 1 1 8 ARG HA H 1.860 1.171 1.516 1.00 . A A . 8 ARG HA 1 1 2 446 1 1 8 ARG HB2 H -0.496 -0.663 1.074 1.00 . A A . 8 ARG HB2 1 1 2 447 1 1 8 ARG HB3 H 0.735 -0.854 2.311 1.00 . A A . 8 ARG HB3 1 1 2 448 1 1 8 ARG HD2 H -0.498 1.395 4.691 1.00 . A A . 8 ARG HD2 1 1 2 449 1 1 8 ARG HD3 H 0.923 0.540 4.104 1.00 . A A . 8 ARG HD3 1 1 2 450 1 1 8 ARG HE H 1.757 2.520 3.312 1.00 . A A . 8 ARG HE 1 1 2 451 1 1 8 ARG HG2 H -1.083 1.530 2.139 1.00 . A A . 8 ARG HG2 1 1 2 452 1 1 8 ARG HG3 H -1.441 0.087 3.077 1.00 . A A . 8 ARG HG3 1 1 2 453 1 1 8 ARG HH11 H -1.655 2.924 4.007 1.00 . A A . 8 ARG HH11 1 1 2 454 1 1 8 ARG HH12 H -1.591 4.658 3.942 1.00 . A A . 8 ARG HH12 1 1 2 455 1 1 8 ARG HH21 H 1.834 4.822 3.246 1.00 . A A . 8 ARG HH21 1 1 2 456 1 1 8 ARG HH22 H 0.377 5.730 3.509 1.00 . A A . 8 ARG HH22 1 1 2 457 1 1 8 ARG N N 0.461 1.661 0.075 1.00 . A A . 8 ARG N 1 1 2 458 1 1 8 ARG NE N 0.800 2.538 3.540 1.00 . A A . 8 ARG NE 1 1 2 459 1 1 8 ARG NH1 N -1.128 3.769 3.877 1.00 . A A . 8 ARG NH1 1 1 2 460 1 1 8 ARG NH2 N 0.851 4.844 3.443 1.00 . A A . 8 ARG NH2 1 1 2 461 1 1 8 ARG O O 2.921 -0.896 0.372 1.00 . A A . 8 ARG O 1 1 2 462 1 1 9 LYS C C 3.451 -0.669 -2.585 1.00 . A A . 9 LYS C 1 1 2 463 1 1 9 LYS CA C 2.093 -1.264 -2.271 1.00 . A A . 9 LYS CA 1 1 2 464 1 1 9 LYS CB C 1.257 -1.307 -3.542 1.00 . A A . 9 LYS CB 1 1 2 465 1 1 9 LYS CD C 1.602 -3.744 -3.872 1.00 . A A . 9 LYS CD 1 1 2 466 1 1 9 LYS CE C 1.796 -4.849 -4.896 1.00 . A A . 9 LYS CE 1 1 2 467 1 1 9 LYS CG C 1.688 -2.380 -4.512 1.00 . A A . 9 LYS CG 1 1 2 468 1 1 9 LYS H H 0.583 -0.015 -1.485 1.00 . A A . 9 LYS H 1 1 2 469 1 1 9 LYS HA H 2.216 -2.264 -1.893 1.00 . A A . 9 LYS HA 1 1 2 470 1 1 9 LYS HB2 H 0.226 -1.485 -3.276 1.00 . A A . 9 LYS HB2 1 1 2 471 1 1 9 LYS HB3 H 1.334 -0.350 -4.040 1.00 . A A . 9 LYS HB3 1 1 2 472 1 1 9 LYS HD2 H 2.369 -3.820 -3.111 1.00 . A A . 9 LYS HD2 1 1 2 473 1 1 9 LYS HD3 H 0.626 -3.845 -3.418 1.00 . A A . 9 LYS HD3 1 1 2 474 1 1 9 LYS HE2 H 1.026 -4.764 -5.648 1.00 . A A . 9 LYS HE2 1 1 2 475 1 1 9 LYS HE3 H 2.765 -4.727 -5.360 1.00 . A A . 9 LYS HE3 1 1 2 476 1 1 9 LYS HG2 H 1.040 -2.354 -5.365 1.00 . A A . 9 LYS HG2 1 1 2 477 1 1 9 LYS HG3 H 2.707 -2.195 -4.818 1.00 . A A . 9 LYS HG3 1 1 2 478 1 1 9 LYS HZ1 H 0.823 -6.311 -3.769 1.00 . A A . 9 LYS HZ1 1 1 2 479 1 1 9 LYS HZ2 H 2.507 -6.335 -3.614 1.00 . A A . 9 LYS HZ2 1 1 2 480 1 1 9 LYS HZ3 H 1.779 -6.931 -5.016 1.00 . A A . 9 LYS HZ3 1 1 2 481 1 1 9 LYS N N 1.431 -0.455 -1.258 1.00 . A A . 9 LYS N 1 1 2 482 1 1 9 LYS NZ N 1.721 -6.199 -4.281 1.00 . A A . 9 LYS NZ 1 1 2 483 1 1 9 LYS O O 4.449 -1.376 -2.706 1.00 . A A . 9 LYS O 1 1 2 484 1 1 10 PHE C C 5.613 1.224 -1.732 1.00 . A A . 10 PHE C 1 1 2 485 1 1 10 PHE CA C 4.700 1.380 -2.936 1.00 . A A . 10 PHE CA 1 1 2 486 1 1 10 PHE CB C 4.399 2.861 -3.165 1.00 . A A . 10 PHE CB 1 1 2 487 1 1 10 PHE CD1 C 2.516 4.229 -4.087 1.00 . A A . 10 PHE CD1 1 1 2 488 1 1 10 PHE CD2 C 3.148 2.256 -5.263 1.00 . A A . 10 PHE CD2 1 1 2 489 1 1 10 PHE CE1 C 1.534 4.479 -5.025 1.00 . A A . 10 PHE CE1 1 1 2 490 1 1 10 PHE CE2 C 2.167 2.498 -6.204 1.00 . A A . 10 PHE CE2 1 1 2 491 1 1 10 PHE CG C 3.334 3.119 -4.195 1.00 . A A . 10 PHE CG 1 1 2 492 1 1 10 PHE CZ C 1.360 3.612 -6.086 1.00 . A A . 10 PHE CZ 1 1 2 493 1 1 10 PHE H H 2.622 1.142 -2.654 1.00 . A A . 10 PHE H 1 1 2 494 1 1 10 PHE HA H 5.186 0.971 -3.809 1.00 . A A . 10 PHE HA 1 1 2 495 1 1 10 PHE HB2 H 4.065 3.295 -2.235 1.00 . A A . 10 PHE HB2 1 1 2 496 1 1 10 PHE HB3 H 5.302 3.358 -3.485 1.00 . A A . 10 PHE HB3 1 1 2 497 1 1 10 PHE HD1 H 2.654 4.905 -3.257 1.00 . A A . 10 PHE HD1 1 1 2 498 1 1 10 PHE HD2 H 3.774 1.381 -5.351 1.00 . A A . 10 PHE HD2 1 1 2 499 1 1 10 PHE HE1 H 0.903 5.350 -4.928 1.00 . A A . 10 PHE HE1 1 1 2 500 1 1 10 PHE HE2 H 2.034 1.818 -7.032 1.00 . A A . 10 PHE HE2 1 1 2 501 1 1 10 PHE HZ H 0.593 3.805 -6.821 1.00 . A A . 10 PHE HZ 1 1 2 502 1 1 10 PHE N N 3.469 0.647 -2.709 1.00 . A A . 10 PHE N 1 1 2 503 1 1 10 PHE O O 6.833 1.178 -1.860 1.00 . A A . 10 PHE O 1 1 2 504 1 1 11 ILE C C 6.317 -0.451 0.755 1.00 . A A . 11 ILE C 1 1 2 505 1 1 11 ILE CA C 5.724 0.946 0.695 1.00 . A A . 11 ILE CA 1 1 2 506 1 1 11 ILE CB C 4.833 1.218 1.938 1.00 . A A . 11 ILE CB 1 1 2 507 1 1 11 ILE CD1 C 4.734 3.563 0.966 1.00 . A A . 11 ILE CD1 1 1 2 508 1 1 11 ILE CG1 C 4.723 2.721 2.211 1.00 . A A . 11 ILE CG1 1 1 2 509 1 1 11 ILE CG2 C 5.406 0.535 3.164 1.00 . A A . 11 ILE CG2 1 1 2 510 1 1 11 ILE H H 4.017 1.213 -0.536 1.00 . A A . 11 ILE H 1 1 2 511 1 1 11 ILE HA H 6.531 1.655 0.714 1.00 . A A . 11 ILE HA 1 1 2 512 1 1 11 ILE HB H 3.850 0.816 1.750 1.00 . A A . 11 ILE HB 1 1 2 513 1 1 11 ILE HD11 H 3.971 3.196 0.291 1.00 . A A . 11 ILE HD11 1 1 2 514 1 1 11 ILE HD12 H 5.706 3.480 0.492 1.00 . A A . 11 ILE HD12 1 1 2 515 1 1 11 ILE HD13 H 4.536 4.592 1.218 1.00 . A A . 11 ILE HD13 1 1 2 516 1 1 11 ILE HG12 H 3.800 2.919 2.733 1.00 . A A . 11 ILE HG12 1 1 2 517 1 1 11 ILE HG13 H 5.555 3.030 2.829 1.00 . A A . 11 ILE HG13 1 1 2 518 1 1 11 ILE HG21 H 4.788 0.752 4.022 1.00 . A A . 11 ILE HG21 1 1 2 519 1 1 11 ILE HG22 H 6.408 0.907 3.334 1.00 . A A . 11 ILE HG22 1 1 2 520 1 1 11 ILE HG23 H 5.440 -0.531 3.000 1.00 . A A . 11 ILE HG23 1 1 2 521 1 1 11 ILE N N 4.996 1.136 -0.559 1.00 . A A . 11 ILE N 1 1 2 522 1 1 11 ILE O O 7.385 -0.658 1.332 1.00 . A A . 11 ILE O 1 1 2 523 1 1 12 LYS C C 7.533 -2.791 -0.604 1.00 . A A . 12 LYS C 1 1 2 524 1 1 12 LYS CA C 6.153 -2.765 0.051 1.00 . A A . 12 LYS CA 1 1 2 525 1 1 12 LYS CB C 5.190 -3.691 -0.697 1.00 . A A . 12 LYS CB 1 1 2 526 1 1 12 LYS CD C 3.242 -5.263 -0.531 1.00 . A A . 12 LYS CD 1 1 2 527 1 1 12 LYS CE C 2.229 -5.893 0.414 1.00 . A A . 12 LYS CE 1 1 2 528 1 1 12 LYS CG C 3.984 -4.113 0.128 1.00 . A A . 12 LYS CG 1 1 2 529 1 1 12 LYS H H 4.778 -1.168 -0.310 1.00 . A A . 12 LYS H 1 1 2 530 1 1 12 LYS HA H 6.255 -3.121 1.067 1.00 . A A . 12 LYS HA 1 1 2 531 1 1 12 LYS HB2 H 4.835 -3.183 -1.582 1.00 . A A . 12 LYS HB2 1 1 2 532 1 1 12 LYS HB3 H 5.724 -4.580 -0.994 1.00 . A A . 12 LYS HB3 1 1 2 533 1 1 12 LYS HD2 H 2.724 -4.893 -1.401 1.00 . A A . 12 LYS HD2 1 1 2 534 1 1 12 LYS HD3 H 3.957 -6.013 -0.830 1.00 . A A . 12 LYS HD3 1 1 2 535 1 1 12 LYS HE2 H 2.716 -6.106 1.354 1.00 . A A . 12 LYS HE2 1 1 2 536 1 1 12 LYS HE3 H 1.423 -5.193 0.578 1.00 . A A . 12 LYS HE3 1 1 2 537 1 1 12 LYS HG2 H 4.320 -4.426 1.104 1.00 . A A . 12 LYS HG2 1 1 2 538 1 1 12 LYS HG3 H 3.314 -3.271 0.227 1.00 . A A . 12 LYS HG3 1 1 2 539 1 1 12 LYS HZ1 H 1.030 -7.597 0.553 1.00 . A A . 12 LYS HZ1 1 1 2 540 1 1 12 LYS HZ2 H 2.438 -7.827 -0.352 1.00 . A A . 12 LYS HZ2 1 1 2 541 1 1 12 LYS HZ3 H 1.140 -6.968 -1.011 1.00 . A A . 12 LYS HZ3 1 1 2 542 1 1 12 LYS N N 5.642 -1.398 0.120 1.00 . A A . 12 LYS N 1 1 2 543 1 1 12 LYS NZ N 1.670 -7.157 -0.137 1.00 . A A . 12 LYS NZ 1 1 2 544 1 1 12 LYS O O 8.400 -3.573 -0.216 1.00 . A A . 12 LYS O 1 1 2 545 1 1 13 GLY C C 9.901 -0.787 -1.443 1.00 . A A . 13 GLY C 1 1 2 546 1 1 13 GLY CA C 9.040 -1.782 -2.196 1.00 . A A . 13 GLY CA 1 1 2 547 1 1 13 GLY H H 6.982 -1.377 -1.906 1.00 . A A . 13 GLY H 1 1 2 548 1 1 13 GLY HA2 H 9.533 -2.745 -2.198 1.00 . A A . 13 GLY HA2 1 1 2 549 1 1 13 GLY HA3 H 8.921 -1.443 -3.215 1.00 . A A . 13 GLY HA3 1 1 2 550 1 1 13 GLY N N 7.731 -1.923 -1.588 1.00 . A A . 13 GLY N 1 1 2 551 1 1 13 GLY O O 11.107 -0.967 -1.312 1.00 . A A . 13 GLY O 1 1 2 552 1 1 14 PHE C C 10.744 0.744 0.975 1.00 . A A . 14 PHE C 1 1 2 553 1 1 14 PHE CA C 9.884 1.302 -0.163 1.00 . A A . 14 PHE CA 1 1 2 554 1 1 14 PHE CB C 8.756 2.138 0.409 1.00 . A A . 14 PHE CB 1 1 2 555 1 1 14 PHE CD1 C 9.940 4.265 0.076 1.00 . A A . 14 PHE CD1 1 1 2 556 1 1 14 PHE CD2 C 8.769 3.926 2.111 1.00 . A A . 14 PHE CD2 1 1 2 557 1 1 14 PHE CE1 C 10.329 5.521 0.496 1.00 . A A . 14 PHE CE1 1 1 2 558 1 1 14 PHE CE2 C 9.146 5.178 2.550 1.00 . A A . 14 PHE CE2 1 1 2 559 1 1 14 PHE CG C 9.167 3.472 0.879 1.00 . A A . 14 PHE CG 1 1 2 560 1 1 14 PHE CZ C 9.931 5.979 1.740 1.00 . A A . 14 PHE CZ 1 1 2 561 1 1 14 PHE H H 8.316 0.397 -1.181 1.00 . A A . 14 PHE H 1 1 2 562 1 1 14 PHE HA H 10.490 1.919 -0.804 1.00 . A A . 14 PHE HA 1 1 2 563 1 1 14 PHE HB2 H 8.002 2.275 -0.350 1.00 . A A . 14 PHE HB2 1 1 2 564 1 1 14 PHE HB3 H 8.325 1.610 1.248 1.00 . A A . 14 PHE HB3 1 1 2 565 1 1 14 PHE HD1 H 10.237 3.884 -0.893 1.00 . A A . 14 PHE HD1 1 1 2 566 1 1 14 PHE HD2 H 8.150 3.287 2.729 1.00 . A A . 14 PHE HD2 1 1 2 567 1 1 14 PHE HE1 H 10.940 6.142 -0.143 1.00 . A A . 14 PHE HE1 1 1 2 568 1 1 14 PHE HE2 H 8.833 5.529 3.520 1.00 . A A . 14 PHE HE2 1 1 2 569 1 1 14 PHE HZ H 10.231 6.958 2.076 1.00 . A A . 14 PHE HZ 1 1 2 570 1 1 14 PHE N N 9.262 0.272 -0.962 1.00 . A A . 14 PHE N 1 1 2 571 1 1 14 PHE O O 11.899 1.136 1.141 1.00 . A A . 14 PHE O 1 1 2 572 1 1 15 ILE C C 12.047 -1.590 2.566 1.00 . A A . 15 ILE C 1 1 2 573 1 1 15 ILE CA C 10.855 -0.702 2.935 1.00 . A A . 15 ILE CA 1 1 2 574 1 1 15 ILE CB C 9.893 -1.507 3.835 1.00 . A A . 15 ILE CB 1 1 2 575 1 1 15 ILE CD1 C 8.345 -3.536 3.883 1.00 . A A . 15 ILE CD1 1 1 2 576 1 1 15 ILE CG1 C 9.240 -2.648 3.045 1.00 . A A . 15 ILE CG1 1 1 2 577 1 1 15 ILE CG2 C 8.838 -0.586 4.433 1.00 . A A . 15 ILE CG2 1 1 2 578 1 1 15 ILE H H 9.248 -0.438 1.567 1.00 . A A . 15 ILE H 1 1 2 579 1 1 15 ILE HA H 11.223 0.133 3.513 1.00 . A A . 15 ILE HA 1 1 2 580 1 1 15 ILE HB H 10.467 -1.926 4.648 1.00 . A A . 15 ILE HB 1 1 2 581 1 1 15 ILE HD11 H 7.917 -4.307 3.260 1.00 . A A . 15 ILE HD11 1 1 2 582 1 1 15 ILE HD12 H 7.554 -2.943 4.317 1.00 . A A . 15 ILE HD12 1 1 2 583 1 1 15 ILE HD13 H 8.926 -3.992 4.672 1.00 . A A . 15 ILE HD13 1 1 2 584 1 1 15 ILE HG12 H 8.639 -2.229 2.252 1.00 . A A . 15 ILE HG12 1 1 2 585 1 1 15 ILE HG13 H 10.014 -3.267 2.615 1.00 . A A . 15 ILE HG13 1 1 2 586 1 1 15 ILE HG21 H 8.281 -0.113 3.638 1.00 . A A . 15 ILE HG21 1 1 2 587 1 1 15 ILE HG22 H 9.321 0.171 5.034 1.00 . A A . 15 ILE HG22 1 1 2 588 1 1 15 ILE HG23 H 8.166 -1.162 5.050 1.00 . A A . 15 ILE HG23 1 1 2 589 1 1 15 ILE N N 10.169 -0.153 1.764 1.00 . A A . 15 ILE N 1 1 2 590 1 1 15 ILE O O 12.916 -1.843 3.403 1.00 . A A . 15 ILE O 1 1 2 591 1 1 16 SER C C 13.542 -2.711 -0.557 1.00 . A A . 16 SER C 1 1 2 592 1 1 16 SER CA C 13.173 -2.955 0.905 1.00 . A A . 16 SER CA 1 1 2 593 1 1 16 SER CB C 12.762 -4.413 1.114 1.00 . A A . 16 SER CB 1 1 2 594 1 1 16 SER H H 11.406 -1.811 0.682 1.00 . A A . 16 SER H 1 1 2 595 1 1 16 SER HA H 14.036 -2.744 1.519 1.00 . A A . 16 SER HA 1 1 2 596 1 1 16 SER HB2 H 11.906 -4.636 0.494 1.00 . A A . 16 SER HB2 1 1 2 597 1 1 16 SER HB3 H 13.583 -5.060 0.842 1.00 . A A . 16 SER HB3 1 1 2 598 1 1 16 SER HG H 12.597 -3.854 2.986 1.00 . A A . 16 SER HG 1 1 2 599 1 1 16 SER N N 12.097 -2.068 1.329 1.00 . A A . 16 SER N 1 1 2 600 1 1 16 SER O O 14.314 -1.766 -0.822 1.00 . A A . 16 SER O 1 1 2 601 1 1 16 SER OXT O 13.066 -3.465 -1.434 1.00 . A A . 16 SER OXT 1 1 2 602 1 1 16 SER OG O 12.420 -4.651 2.470 1.00 . A A . 16 SER OG 1 1 3 603 1 1 1 LYS C C -10.899 1.068 -0.420 1.00 . A A . 1 LYS C 1 1 3 604 1 1 1 LYS CA C -12.155 1.433 -1.196 1.00 . A A . 1 LYS CA 1 1 3 605 1 1 1 LYS CB C -11.826 2.487 -2.254 1.00 . A A . 1 LYS CB 1 1 3 606 1 1 1 LYS CD C -12.485 3.611 -4.397 1.00 . A A . 1 LYS CD 1 1 3 607 1 1 1 LYS CE C -13.580 3.783 -5.436 1.00 . A A . 1 LYS CE 1 1 3 608 1 1 1 LYS CG C -12.929 2.688 -3.276 1.00 . A A . 1 LYS CG 1 1 3 609 1 1 1 LYS H1 H -13.427 1.206 0.431 1.00 . A A . 1 LYS H1 1 1 3 610 1 1 1 LYS H2 H -14.072 2.152 -0.810 1.00 . A A . 1 LYS H2 1 1 3 611 1 1 1 LYS H3 H -12.880 2.788 0.205 1.00 . A A . 1 LYS H3 1 1 3 612 1 1 1 LYS HA H -12.526 0.545 -1.687 1.00 . A A . 1 LYS HA 1 1 3 613 1 1 1 LYS HB2 H -11.648 3.430 -1.759 1.00 . A A . 1 LYS HB2 1 1 3 614 1 1 1 LYS HB3 H -10.930 2.189 -2.776 1.00 . A A . 1 LYS HB3 1 1 3 615 1 1 1 LYS HD2 H -12.242 4.576 -3.982 1.00 . A A . 1 LYS HD2 1 1 3 616 1 1 1 LYS HD3 H -11.613 3.190 -4.873 1.00 . A A . 1 LYS HD3 1 1 3 617 1 1 1 LYS HE2 H -13.864 2.809 -5.804 1.00 . A A . 1 LYS HE2 1 1 3 618 1 1 1 LYS HE3 H -14.430 4.253 -4.967 1.00 . A A . 1 LYS HE3 1 1 3 619 1 1 1 LYS HG2 H -13.195 1.732 -3.698 1.00 . A A . 1 LYS HG2 1 1 3 620 1 1 1 LYS HG3 H -13.789 3.118 -2.786 1.00 . A A . 1 LYS HG3 1 1 3 621 1 1 1 LYS HZ1 H -12.869 5.570 -6.250 1.00 . A A . 1 LYS HZ1 1 1 3 622 1 1 1 LYS HZ2 H -13.899 4.712 -7.277 1.00 . A A . 1 LYS HZ2 1 1 3 623 1 1 1 LYS HZ3 H -12.309 4.184 -7.043 1.00 . A A . 1 LYS HZ3 1 1 3 624 1 1 1 LYS N N -13.206 1.929 -0.280 1.00 . A A . 1 LYS N 1 1 3 625 1 1 1 LYS NZ N -13.134 4.620 -6.580 1.00 . A A . 1 LYS NZ 1 1 3 626 1 1 1 LYS O O -10.819 1.299 0.786 1.00 . A A . 1 LYS O 1 1 3 627 1 1 2 TRP C C -7.484 0.493 -1.306 1.00 . A A . 2 TRP C 1 1 3 628 1 1 2 TRP CA C -8.695 0.057 -0.493 1.00 . A A . 2 TRP CA 1 1 3 629 1 1 2 TRP CB C -8.706 -1.469 -0.314 1.00 . A A . 2 TRP CB 1 1 3 630 1 1 2 TRP CD1 C -10.108 -2.498 -2.200 1.00 . A A . 2 TRP CD1 1 1 3 631 1 1 2 TRP CD2 C -7.906 -2.833 -2.413 1.00 . A A . 2 TRP CD2 1 1 3 632 1 1 2 TRP CE2 C -8.559 -3.435 -3.502 1.00 . A A . 2 TRP CE2 1 1 3 633 1 1 2 TRP CE3 C -6.514 -2.915 -2.337 1.00 . A A . 2 TRP CE3 1 1 3 634 1 1 2 TRP CG C -8.917 -2.230 -1.593 1.00 . A A . 2 TRP CG 1 1 3 635 1 1 2 TRP CH2 C -6.515 -4.177 -4.400 1.00 . A A . 2 TRP CH2 1 1 3 636 1 1 2 TRP CZ2 C -7.866 -4.113 -4.501 1.00 . A A . 2 TRP CZ2 1 1 3 637 1 1 2 TRP CZ3 C -5.833 -3.590 -3.333 1.00 . A A . 2 TRP CZ3 1 1 3 638 1 1 2 TRP H H -10.026 0.390 -2.078 1.00 . A A . 2 TRP H 1 1 3 639 1 1 2 TRP HA H -8.640 0.522 0.470 1.00 . A A . 2 TRP HA 1 1 3 640 1 1 2 TRP HB2 H -7.762 -1.781 0.106 1.00 . A A . 2 TRP HB2 1 1 3 641 1 1 2 TRP HB3 H -9.501 -1.734 0.368 1.00 . A A . 2 TRP HB3 1 1 3 642 1 1 2 TRP HD1 H -11.068 -2.180 -1.822 1.00 . A A . 2 TRP HD1 1 1 3 643 1 1 2 TRP HE1 H -10.601 -3.527 -3.964 1.00 . A A . 2 TRP HE1 1 1 3 644 1 1 2 TRP HE3 H -5.973 -2.467 -1.518 1.00 . A A . 2 TRP HE3 1 1 3 645 1 1 2 TRP HH2 H -5.952 -4.692 -5.155 1.00 . A A . 2 TRP HH2 1 1 3 646 1 1 2 TRP HZ2 H -8.365 -4.573 -5.334 1.00 . A A . 2 TRP HZ2 1 1 3 647 1 1 2 TRP HZ3 H -4.758 -3.666 -3.293 1.00 . A A . 2 TRP HZ3 1 1 3 648 1 1 2 TRP N N -9.923 0.504 -1.117 1.00 . A A . 2 TRP N 1 1 3 649 1 1 2 TRP NE1 N -9.900 -3.218 -3.351 1.00 . A A . 2 TRP NE1 1 1 3 650 1 1 2 TRP O O -6.404 -0.083 -1.192 1.00 . A A . 2 TRP O 1 1 3 651 1 1 3 ALA C C -5.488 2.690 -2.078 1.00 . A A . 3 ALA C 1 1 3 652 1 1 3 ALA CA C -6.569 2.041 -2.932 1.00 . A A . 3 ALA CA 1 1 3 653 1 1 3 ALA CB C -7.074 3.019 -3.976 1.00 . A A . 3 ALA CB 1 1 3 654 1 1 3 ALA H H -8.524 1.997 -2.120 1.00 . A A . 3 ALA H 1 1 3 655 1 1 3 ALA HA H -6.141 1.197 -3.449 1.00 . A A . 3 ALA HA 1 1 3 656 1 1 3 ALA HB1 H -7.955 2.616 -4.452 1.00 . A A . 3 ALA HB1 1 1 3 657 1 1 3 ALA HB2 H -6.303 3.173 -4.718 1.00 . A A . 3 ALA HB2 1 1 3 658 1 1 3 ALA HB3 H -7.313 3.959 -3.502 1.00 . A A . 3 ALA HB3 1 1 3 659 1 1 3 ALA N N -7.654 1.543 -2.101 1.00 . A A . 3 ALA N 1 1 3 660 1 1 3 ALA O O -4.410 3.023 -2.567 1.00 . A A . 3 ALA O 1 1 3 661 1 1 4 VAL C C -3.733 2.270 0.343 1.00 . A A . 4 VAL C 1 1 3 662 1 1 4 VAL CA C -4.807 3.339 0.153 1.00 . A A . 4 VAL CA 1 1 3 663 1 1 4 VAL CB C -5.475 3.657 1.501 1.00 . A A . 4 VAL CB 1 1 3 664 1 1 4 VAL CG1 C -4.495 4.301 2.442 1.00 . A A . 4 VAL CG1 1 1 3 665 1 1 4 VAL CG2 C -6.675 4.563 1.315 1.00 . A A . 4 VAL CG2 1 1 3 666 1 1 4 VAL H H -6.699 2.719 -0.490 1.00 . A A . 4 VAL H 1 1 3 667 1 1 4 VAL HA H -4.356 4.240 -0.236 1.00 . A A . 4 VAL HA 1 1 3 668 1 1 4 VAL HB H -5.813 2.733 1.943 1.00 . A A . 4 VAL HB 1 1 3 669 1 1 4 VAL HG11 H -4.106 5.195 1.985 1.00 . A A . 4 VAL HG11 1 1 3 670 1 1 4 VAL HG12 H -3.689 3.614 2.645 1.00 . A A . 4 VAL HG12 1 1 3 671 1 1 4 VAL HG13 H -5.001 4.554 3.358 1.00 . A A . 4 VAL HG13 1 1 3 672 1 1 4 VAL HG21 H -7.072 4.827 2.283 1.00 . A A . 4 VAL HG21 1 1 3 673 1 1 4 VAL HG22 H -7.431 4.049 0.741 1.00 . A A . 4 VAL HG22 1 1 3 674 1 1 4 VAL HG23 H -6.370 5.457 0.796 1.00 . A A . 4 VAL HG23 1 1 3 675 1 1 4 VAL N N -5.787 2.879 -0.799 1.00 . A A . 4 VAL N 1 1 3 676 1 1 4 VAL O O -2.565 2.572 0.597 1.00 . A A . 4 VAL O 1 1 3 677 1 1 5 ARG C C -2.270 -0.101 -0.943 1.00 . A A . 5 ARG C 1 1 3 678 1 1 5 ARG CA C -3.203 -0.109 0.264 1.00 . A A . 5 ARG CA 1 1 3 679 1 1 5 ARG CB C -3.942 -1.448 0.335 1.00 . A A . 5 ARG CB 1 1 3 680 1 1 5 ARG CD C -4.233 -1.284 2.827 1.00 . A A . 5 ARG CD 1 1 3 681 1 1 5 ARG CG C -4.913 -1.565 1.497 1.00 . A A . 5 ARG CG 1 1 3 682 1 1 5 ARG CZ C -2.217 -1.991 4.062 1.00 . A A . 5 ARG CZ 1 1 3 683 1 1 5 ARG H H -5.089 0.830 0.011 1.00 . A A . 5 ARG H 1 1 3 684 1 1 5 ARG HA H -2.610 0.017 1.161 1.00 . A A . 5 ARG HA 1 1 3 685 1 1 5 ARG HB2 H -4.493 -1.588 -0.580 1.00 . A A . 5 ARG HB2 1 1 3 686 1 1 5 ARG HB3 H -3.212 -2.237 0.429 1.00 . A A . 5 ARG HB3 1 1 3 687 1 1 5 ARG HD2 H -3.882 -0.265 2.822 1.00 . A A . 5 ARG HD2 1 1 3 688 1 1 5 ARG HD3 H -4.955 -1.411 3.619 1.00 . A A . 5 ARG HD3 1 1 3 689 1 1 5 ARG HE H -2.975 -2.935 2.465 1.00 . A A . 5 ARG HE 1 1 3 690 1 1 5 ARG HG2 H -5.714 -0.854 1.356 1.00 . A A . 5 ARG HG2 1 1 3 691 1 1 5 ARG HG3 H -5.318 -2.567 1.514 1.00 . A A . 5 ARG HG3 1 1 3 692 1 1 5 ARG HH11 H -3.139 -0.349 4.817 1.00 . A A . 5 ARG HH11 1 1 3 693 1 1 5 ARG HH12 H -1.707 -0.848 5.660 1.00 . A A . 5 ARG HH12 1 1 3 694 1 1 5 ARG HH21 H -1.083 -3.597 3.559 1.00 . A A . 5 ARG HH21 1 1 3 695 1 1 5 ARG HH22 H -0.523 -2.695 4.934 1.00 . A A . 5 ARG HH22 1 1 3 696 1 1 5 ARG N N -4.135 1.010 0.186 1.00 . A A . 5 ARG N 1 1 3 697 1 1 5 ARG NE N -3.097 -2.169 3.076 1.00 . A A . 5 ARG NE 1 1 3 698 1 1 5 ARG NH1 N -2.364 -0.980 4.914 1.00 . A A . 5 ARG NH1 1 1 3 699 1 1 5 ARG NH2 N -1.194 -2.828 4.198 1.00 . A A . 5 ARG NH2 1 1 3 700 1 1 5 ARG O O -1.231 -0.750 -0.939 1.00 . A A . 5 ARG O 1 1 3 701 1 1 6 ILE C C -0.639 1.696 -2.828 1.00 . A A . 6 ILE C 1 1 3 702 1 1 6 ILE CA C -1.834 0.801 -3.173 1.00 . A A . 6 ILE CA 1 1 3 703 1 1 6 ILE CB C -2.649 1.423 -4.346 1.00 . A A . 6 ILE CB 1 1 3 704 1 1 6 ILE CD1 C -4.245 -0.595 -4.173 1.00 . A A . 6 ILE CD1 1 1 3 705 1 1 6 ILE CG1 C -3.512 0.378 -5.073 1.00 . A A . 6 ILE CG1 1 1 3 706 1 1 6 ILE CG2 C -1.727 2.107 -5.346 1.00 . A A . 6 ILE CG2 1 1 3 707 1 1 6 ILE H H -3.547 1.053 -1.953 1.00 . A A . 6 ILE H 1 1 3 708 1 1 6 ILE HA H -1.469 -0.175 -3.479 1.00 . A A . 6 ILE HA 1 1 3 709 1 1 6 ILE HB H -3.297 2.179 -3.930 1.00 . A A . 6 ILE HB 1 1 3 710 1 1 6 ILE HD11 H -4.954 -1.163 -4.758 1.00 . A A . 6 ILE HD11 1 1 3 711 1 1 6 ILE HD12 H -4.765 -0.052 -3.400 1.00 . A A . 6 ILE HD12 1 1 3 712 1 1 6 ILE HD13 H -3.534 -1.268 -3.720 1.00 . A A . 6 ILE HD13 1 1 3 713 1 1 6 ILE HG12 H -4.262 0.897 -5.656 1.00 . A A . 6 ILE HG12 1 1 3 714 1 1 6 ILE HG13 H -2.883 -0.195 -5.738 1.00 . A A . 6 ILE HG13 1 1 3 715 1 1 6 ILE HG21 H -2.312 2.513 -6.157 1.00 . A A . 6 ILE HG21 1 1 3 716 1 1 6 ILE HG22 H -1.021 1.388 -5.734 1.00 . A A . 6 ILE HG22 1 1 3 717 1 1 6 ILE HG23 H -1.191 2.905 -4.854 1.00 . A A . 6 ILE HG23 1 1 3 718 1 1 6 ILE N N -2.666 0.623 -1.983 1.00 . A A . 6 ILE N 1 1 3 719 1 1 6 ILE O O 0.469 1.503 -3.320 1.00 . A A . 6 ILE O 1 1 3 720 1 1 7 ILE C C 1.135 2.604 -0.599 1.00 . A A . 7 ILE C 1 1 3 721 1 1 7 ILE CA C 0.211 3.485 -1.426 1.00 . A A . 7 ILE CA 1 1 3 722 1 1 7 ILE CB C -0.319 4.662 -0.562 1.00 . A A . 7 ILE CB 1 1 3 723 1 1 7 ILE CD1 C -2.123 5.459 -2.195 1.00 . A A . 7 ILE CD1 1 1 3 724 1 1 7 ILE CG1 C -0.853 5.797 -1.446 1.00 . A A . 7 ILE CG1 1 1 3 725 1 1 7 ILE CG2 C 0.762 5.188 0.373 1.00 . A A . 7 ILE CG2 1 1 3 726 1 1 7 ILE H H -1.791 2.837 -1.663 1.00 . A A . 7 ILE H 1 1 3 727 1 1 7 ILE HA H 0.770 3.890 -2.260 1.00 . A A . 7 ILE HA 1 1 3 728 1 1 7 ILE HB H -1.127 4.288 0.048 1.00 . A A . 7 ILE HB 1 1 3 729 1 1 7 ILE HD11 H -2.420 6.303 -2.800 1.00 . A A . 7 ILE HD11 1 1 3 730 1 1 7 ILE HD12 H -2.907 5.229 -1.489 1.00 . A A . 7 ILE HD12 1 1 3 731 1 1 7 ILE HD13 H -1.950 4.603 -2.830 1.00 . A A . 7 ILE HD13 1 1 3 732 1 1 7 ILE HG12 H -1.057 6.656 -0.826 1.00 . A A . 7 ILE HG12 1 1 3 733 1 1 7 ILE HG13 H -0.099 6.057 -2.172 1.00 . A A . 7 ILE HG13 1 1 3 734 1 1 7 ILE HG21 H 0.365 6.003 0.959 1.00 . A A . 7 ILE HG21 1 1 3 735 1 1 7 ILE HG22 H 1.602 5.539 -0.209 1.00 . A A . 7 ILE HG22 1 1 3 736 1 1 7 ILE HG23 H 1.086 4.396 1.031 1.00 . A A . 7 ILE HG23 1 1 3 737 1 1 7 ILE N N -0.872 2.667 -1.957 1.00 . A A . 7 ILE N 1 1 3 738 1 1 7 ILE O O 2.356 2.697 -0.694 1.00 . A A . 7 ILE O 1 1 3 739 1 1 8 ARG C C 1.974 -0.256 0.062 1.00 . A A . 8 ARG C 1 1 3 740 1 1 8 ARG CA C 1.297 0.762 0.971 1.00 . A A . 8 ARG CA 1 1 3 741 1 1 8 ARG CB C 0.385 0.065 1.979 1.00 . A A . 8 ARG CB 1 1 3 742 1 1 8 ARG CD C 0.667 1.855 3.726 1.00 . A A . 8 ARG CD 1 1 3 743 1 1 8 ARG CG C -0.324 1.038 2.906 1.00 . A A . 8 ARG CG 1 1 3 744 1 1 8 ARG CZ C 0.577 4.098 4.761 1.00 . A A . 8 ARG CZ 1 1 3 745 1 1 8 ARG H H -0.445 1.702 0.220 1.00 . A A . 8 ARG H 1 1 3 746 1 1 8 ARG HA H 2.059 1.308 1.506 1.00 . A A . 8 ARG HA 1 1 3 747 1 1 8 ARG HB2 H -0.362 -0.502 1.442 1.00 . A A . 8 ARG HB2 1 1 3 748 1 1 8 ARG HB3 H 0.976 -0.609 2.581 1.00 . A A . 8 ARG HB3 1 1 3 749 1 1 8 ARG HD2 H 1.173 1.197 4.417 1.00 . A A . 8 ARG HD2 1 1 3 750 1 1 8 ARG HD3 H 1.390 2.297 3.057 1.00 . A A . 8 ARG HD3 1 1 3 751 1 1 8 ARG HE H -0.905 2.749 4.799 1.00 . A A . 8 ARG HE 1 1 3 752 1 1 8 ARG HG2 H -0.925 1.712 2.311 1.00 . A A . 8 ARG HG2 1 1 3 753 1 1 8 ARG HG3 H -0.964 0.481 3.573 1.00 . A A . 8 ARG HG3 1 1 3 754 1 1 8 ARG HH11 H 2.336 3.685 3.837 1.00 . A A . 8 ARG HH11 1 1 3 755 1 1 8 ARG HH12 H 2.241 5.249 4.577 1.00 . A A . 8 ARG HH12 1 1 3 756 1 1 8 ARG HH21 H -1.033 4.815 5.758 1.00 . A A . 8 ARG HH21 1 1 3 757 1 1 8 ARG HH22 H 0.321 5.898 5.657 1.00 . A A . 8 ARG HH22 1 1 3 758 1 1 8 ARG N N 0.536 1.715 0.179 1.00 . A A . 8 ARG N 1 1 3 759 1 1 8 ARG NE N 0.013 2.920 4.483 1.00 . A A . 8 ARG NE 1 1 3 760 1 1 8 ARG NH1 N 1.817 4.364 4.356 1.00 . A A . 8 ARG NH1 1 1 3 761 1 1 8 ARG NH2 N -0.099 5.008 5.447 1.00 . A A . 8 ARG NH2 1 1 3 762 1 1 8 ARG O O 2.948 -0.888 0.447 1.00 . A A . 8 ARG O 1 1 3 763 1 1 9 LYS C C 3.394 -0.662 -2.589 1.00 . A A . 9 LYS C 1 1 3 764 1 1 9 LYS CA C 2.053 -1.245 -2.167 1.00 . A A . 9 LYS CA 1 1 3 765 1 1 9 LYS CB C 1.130 -1.346 -3.374 1.00 . A A . 9 LYS CB 1 1 3 766 1 1 9 LYS CD C 1.429 -3.803 -3.671 1.00 . A A . 9 LYS CD 1 1 3 767 1 1 9 LYS CE C 1.647 -4.923 -4.677 1.00 . A A . 9 LYS CE 1 1 3 768 1 1 9 LYS CG C 1.508 -2.447 -4.336 1.00 . A A . 9 LYS CG 1 1 3 769 1 1 9 LYS H H 0.625 0.088 -1.368 1.00 . A A . 9 LYS H 1 1 3 770 1 1 9 LYS HA H 2.201 -2.226 -1.754 1.00 . A A . 9 LYS HA 1 1 3 771 1 1 9 LYS HB2 H 0.124 -1.529 -3.028 1.00 . A A . 9 LYS HB2 1 1 3 772 1 1 9 LYS HB3 H 1.154 -0.407 -3.909 1.00 . A A . 9 LYS HB3 1 1 3 773 1 1 9 LYS HD2 H 2.188 -3.862 -2.903 1.00 . A A . 9 LYS HD2 1 1 3 774 1 1 9 LYS HD3 H 0.450 -3.910 -3.226 1.00 . A A . 9 LYS HD3 1 1 3 775 1 1 9 LYS HE2 H 0.833 -4.915 -5.386 1.00 . A A . 9 LYS HE2 1 1 3 776 1 1 9 LYS HE3 H 2.576 -4.745 -5.199 1.00 . A A . 9 LYS HE3 1 1 3 777 1 1 9 LYS HG2 H 0.832 -2.426 -5.165 1.00 . A A . 9 LYS HG2 1 1 3 778 1 1 9 LYS HG3 H 2.518 -2.282 -4.684 1.00 . A A . 9 LYS HG3 1 1 3 779 1 1 9 LYS HZ1 H 0.833 -6.439 -3.494 1.00 . A A . 9 LYS HZ1 1 1 3 780 1 1 9 LYS HZ2 H 2.515 -6.304 -3.376 1.00 . A A . 9 LYS HZ2 1 1 3 781 1 1 9 LYS HZ3 H 1.818 -7.001 -4.748 1.00 . A A . 9 LYS HZ3 1 1 3 782 1 1 9 LYS N N 1.451 -0.393 -1.151 1.00 . A A . 9 LYS N 1 1 3 783 1 1 9 LYS NZ N 1.706 -6.259 -4.028 1.00 . A A . 9 LYS NZ 1 1 3 784 1 1 9 LYS O O 4.366 -1.383 -2.804 1.00 . A A . 9 LYS O 1 1 3 785 1 1 10 PHE C C 5.649 1.228 -1.863 1.00 . A A . 10 PHE C 1 1 3 786 1 1 10 PHE CA C 4.653 1.388 -3.000 1.00 . A A . 10 PHE CA 1 1 3 787 1 1 10 PHE CB C 4.348 2.875 -3.204 1.00 . A A . 10 PHE CB 1 1 3 788 1 1 10 PHE CD1 C 2.607 4.352 -4.225 1.00 . A A . 10 PHE CD1 1 1 3 789 1 1 10 PHE CD2 C 3.017 2.235 -5.237 1.00 . A A . 10 PHE CD2 1 1 3 790 1 1 10 PHE CE1 C 1.644 4.626 -5.176 1.00 . A A . 10 PHE CE1 1 1 3 791 1 1 10 PHE CE2 C 2.055 2.499 -6.192 1.00 . A A . 10 PHE CE2 1 1 3 792 1 1 10 PHE CG C 3.303 3.157 -4.245 1.00 . A A . 10 PHE CG 1 1 3 793 1 1 10 PHE CZ C 1.367 3.699 -6.162 1.00 . A A . 10 PHE CZ 1 1 3 794 1 1 10 PHE H H 2.603 1.168 -2.533 1.00 . A A . 10 PHE H 1 1 3 795 1 1 10 PHE HA H 5.071 0.975 -3.905 1.00 . A A . 10 PHE HA 1 1 3 796 1 1 10 PHE HB2 H 3.992 3.289 -2.271 1.00 . A A . 10 PHE HB2 1 1 3 797 1 1 10 PHE HB3 H 5.255 3.384 -3.495 1.00 . A A . 10 PHE HB3 1 1 3 798 1 1 10 PHE HD1 H 2.825 5.074 -3.452 1.00 . A A . 10 PHE HD1 1 1 3 799 1 1 10 PHE HD2 H 3.551 1.297 -5.252 1.00 . A A . 10 PHE HD2 1 1 3 800 1 1 10 PHE HE1 H 1.107 5.563 -5.148 1.00 . A A . 10 PHE HE1 1 1 3 801 1 1 10 PHE HE2 H 1.841 1.772 -6.960 1.00 . A A . 10 PHE HE2 1 1 3 802 1 1 10 PHE HZ H 0.615 3.909 -6.907 1.00 . A A . 10 PHE HZ 1 1 3 803 1 1 10 PHE N N 3.430 0.662 -2.681 1.00 . A A . 10 PHE N 1 1 3 804 1 1 10 PHE O O 6.864 1.225 -2.063 1.00 . A A . 10 PHE O 1 1 3 805 1 1 11 ILE C C 6.338 -0.543 0.662 1.00 . A A . 11 ILE C 1 1 3 806 1 1 11 ILE CA C 5.909 0.914 0.541 1.00 . A A . 11 ILE CA 1 1 3 807 1 1 11 ILE CB C 5.151 1.394 1.811 1.00 . A A . 11 ILE CB 1 1 3 808 1 1 11 ILE CD1 C 4.952 3.651 0.630 1.00 . A A . 11 ILE CD1 1 1 3 809 1 1 11 ILE CG1 C 5.199 2.924 1.928 1.00 . A A . 11 ILE CG1 1 1 3 810 1 1 11 ILE CG2 C 5.756 0.785 3.059 1.00 . A A . 11 ILE CG2 1 1 3 811 1 1 11 ILE H H 4.130 1.138 -0.592 1.00 . A A . 11 ILE H 1 1 3 812 1 1 11 ILE HA H 6.796 1.518 0.438 1.00 . A A . 11 ILE HA 1 1 3 813 1 1 11 ILE HB H 4.123 1.075 1.738 1.00 . A A . 11 ILE HB 1 1 3 814 1 1 11 ILE HD11 H 5.134 4.706 0.760 1.00 . A A . 11 ILE HD11 1 1 3 815 1 1 11 ILE HD12 H 3.930 3.490 0.320 1.00 . A A . 11 ILE HD12 1 1 3 816 1 1 11 ILE HD13 H 5.623 3.254 -0.126 1.00 . A A . 11 ILE HD13 1 1 3 817 1 1 11 ILE HG12 H 4.447 3.247 2.632 1.00 . A A . 11 ILE HG12 1 1 3 818 1 1 11 ILE HG13 H 6.172 3.219 2.293 1.00 . A A . 11 ILE HG13 1 1 3 819 1 1 11 ILE HG21 H 5.241 1.160 3.930 1.00 . A A . 11 ILE HG21 1 1 3 820 1 1 11 ILE HG22 H 6.802 1.055 3.106 1.00 . A A . 11 ILE HG22 1 1 3 821 1 1 11 ILE HG23 H 5.663 -0.290 3.016 1.00 . A A . 11 ILE HG23 1 1 3 822 1 1 11 ILE N N 5.108 1.096 -0.667 1.00 . A A . 11 ILE N 1 1 3 823 1 1 11 ILE O O 7.354 -0.864 1.274 1.00 . A A . 11 ILE O 1 1 3 824 1 1 12 LYS C C 7.091 -2.908 -1.156 1.00 . A A . 12 LYS C 1 1 3 825 1 1 12 LYS CA C 6.009 -2.811 -0.090 1.00 . A A . 12 LYS CA 1 1 3 826 1 1 12 LYS CB C 4.834 -3.726 -0.428 1.00 . A A . 12 LYS CB 1 1 3 827 1 1 12 LYS CD C 2.787 -4.918 0.408 1.00 . A A . 12 LYS CD 1 1 3 828 1 1 12 LYS CE C 3.413 -6.294 0.248 1.00 . A A . 12 LYS CE 1 1 3 829 1 1 12 LYS CG C 3.836 -3.864 0.708 1.00 . A A . 12 LYS CG 1 1 3 830 1 1 12 LYS H H 4.726 -1.136 -0.358 1.00 . A A . 12 LYS H 1 1 3 831 1 1 12 LYS HA H 6.429 -3.112 0.860 1.00 . A A . 12 LYS HA 1 1 3 832 1 1 12 LYS HB2 H 4.319 -3.329 -1.289 1.00 . A A . 12 LYS HB2 1 1 3 833 1 1 12 LYS HB3 H 5.216 -4.707 -0.665 1.00 . A A . 12 LYS HB3 1 1 3 834 1 1 12 LYS HD2 H 2.076 -4.948 1.220 1.00 . A A . 12 LYS HD2 1 1 3 835 1 1 12 LYS HD3 H 2.279 -4.655 -0.508 1.00 . A A . 12 LYS HD3 1 1 3 836 1 1 12 LYS HE2 H 4.039 -6.291 -0.631 1.00 . A A . 12 LYS HE2 1 1 3 837 1 1 12 LYS HE3 H 4.018 -6.500 1.119 1.00 . A A . 12 LYS HE3 1 1 3 838 1 1 12 LYS HG2 H 4.364 -4.143 1.607 1.00 . A A . 12 LYS HG2 1 1 3 839 1 1 12 LYS HG3 H 3.345 -2.913 0.858 1.00 . A A . 12 LYS HG3 1 1 3 840 1 1 12 LYS HZ1 H 2.848 -8.267 -0.114 1.00 . A A . 12 LYS HZ1 1 1 3 841 1 1 12 LYS HZ2 H 1.729 -7.123 -0.661 1.00 . A A . 12 LYS HZ2 1 1 3 842 1 1 12 LYS HZ3 H 1.856 -7.463 0.990 1.00 . A A . 12 LYS HZ3 1 1 3 843 1 1 12 LYS N N 5.584 -1.424 0.033 1.00 . A A . 12 LYS N 1 1 3 844 1 1 12 LYS NZ N 2.390 -7.359 0.106 1.00 . A A . 12 LYS NZ 1 1 3 845 1 1 12 LYS O O 7.795 -3.912 -1.268 1.00 . A A . 12 LYS O 1 1 3 846 1 1 13 GLY C C 9.471 -1.004 -2.262 1.00 . A A . 13 GLY C 1 1 3 847 1 1 13 GLY CA C 8.289 -1.716 -2.882 1.00 . A A . 13 GLY CA 1 1 3 848 1 1 13 GLY H H 6.512 -1.150 -1.899 1.00 . A A . 13 GLY H 1 1 3 849 1 1 13 GLY HA2 H 8.598 -2.702 -3.202 1.00 . A A . 13 GLY HA2 1 1 3 850 1 1 13 GLY HA3 H 7.950 -1.154 -3.740 1.00 . A A . 13 GLY HA3 1 1 3 851 1 1 13 GLY N N 7.198 -1.848 -1.946 1.00 . A A . 13 GLY N 1 1 3 852 1 1 13 GLY O O 10.594 -1.117 -2.752 1.00 . A A . 13 GLY O 1 1 3 853 1 1 14 PHE C C 11.349 -0.558 -0.024 1.00 . A A . 14 PHE C 1 1 3 854 1 1 14 PHE CA C 10.250 0.420 -0.413 1.00 . A A . 14 PHE CA 1 1 3 855 1 1 14 PHE CB C 9.646 0.989 0.867 1.00 . A A . 14 PHE CB 1 1 3 856 1 1 14 PHE CD1 C 11.286 2.826 1.289 1.00 . A A . 14 PHE CD1 1 1 3 857 1 1 14 PHE CD2 C 8.967 3.360 1.202 1.00 . A A . 14 PHE CD2 1 1 3 858 1 1 14 PHE CE1 C 11.588 4.152 1.531 1.00 . A A . 14 PHE CE1 1 1 3 859 1 1 14 PHE CE2 C 9.257 4.687 1.442 1.00 . A A . 14 PHE CE2 1 1 3 860 1 1 14 PHE CG C 9.976 2.422 1.120 1.00 . A A . 14 PHE CG 1 1 3 861 1 1 14 PHE CZ C 10.572 5.085 1.606 1.00 . A A . 14 PHE CZ 1 1 3 862 1 1 14 PHE H H 8.265 -0.100 -0.934 1.00 . A A . 14 PHE H 1 1 3 863 1 1 14 PHE HA H 10.666 1.221 -1.001 1.00 . A A . 14 PHE HA 1 1 3 864 1 1 14 PHE HB2 H 8.573 0.901 0.819 1.00 . A A . 14 PHE HB2 1 1 3 865 1 1 14 PHE HB3 H 10.008 0.413 1.708 1.00 . A A . 14 PHE HB3 1 1 3 866 1 1 14 PHE HD1 H 12.078 2.093 1.227 1.00 . A A . 14 PHE HD1 1 1 3 867 1 1 14 PHE HD2 H 7.939 3.041 1.075 1.00 . A A . 14 PHE HD2 1 1 3 868 1 1 14 PHE HE1 H 12.615 4.459 1.662 1.00 . A A . 14 PHE HE1 1 1 3 869 1 1 14 PHE HE2 H 8.460 5.415 1.500 1.00 . A A . 14 PHE HE2 1 1 3 870 1 1 14 PHE HZ H 10.803 6.122 1.795 1.00 . A A . 14 PHE HZ 1 1 3 871 1 1 14 PHE N N 9.204 -0.244 -1.194 1.00 . A A . 14 PHE N 1 1 3 872 1 1 14 PHE O O 12.472 -0.475 -0.527 1.00 . A A . 14 PHE O 1 1 3 873 1 1 15 ILE C C 13.242 -1.933 1.873 1.00 . A A . 15 ILE C 1 1 3 874 1 1 15 ILE CA C 11.886 -2.499 1.440 1.00 . A A . 15 ILE CA 1 1 3 875 1 1 15 ILE CB C 12.087 -3.710 0.481 1.00 . A A . 15 ILE CB 1 1 3 876 1 1 15 ILE CD1 C 13.087 -4.472 -1.742 1.00 . A A . 15 ILE CD1 1 1 3 877 1 1 15 ILE CG1 C 12.835 -3.316 -0.798 1.00 . A A . 15 ILE CG1 1 1 3 878 1 1 15 ILE CG2 C 10.740 -4.328 0.135 1.00 . A A . 15 ILE CG2 1 1 3 879 1 1 15 ILE H H 10.072 -1.432 1.229 1.00 . A A . 15 ILE H 1 1 3 880 1 1 15 ILE HA H 11.399 -2.879 2.329 1.00 . A A . 15 ILE HA 1 1 3 881 1 1 15 ILE HB H 12.663 -4.457 1.008 1.00 . A A . 15 ILE HB 1 1 3 882 1 1 15 ILE HD11 H 13.608 -4.116 -2.619 1.00 . A A . 15 ILE HD11 1 1 3 883 1 1 15 ILE HD12 H 12.145 -4.908 -2.037 1.00 . A A . 15 ILE HD12 1 1 3 884 1 1 15 ILE HD13 H 13.689 -5.220 -1.246 1.00 . A A . 15 ILE HD13 1 1 3 885 1 1 15 ILE HG12 H 12.256 -2.577 -1.330 1.00 . A A . 15 ILE HG12 1 1 3 886 1 1 15 ILE HG13 H 13.792 -2.890 -0.530 1.00 . A A . 15 ILE HG13 1 1 3 887 1 1 15 ILE HG21 H 10.889 -5.167 -0.530 1.00 . A A . 15 ILE HG21 1 1 3 888 1 1 15 ILE HG22 H 10.120 -3.589 -0.351 1.00 . A A . 15 ILE HG22 1 1 3 889 1 1 15 ILE HG23 H 10.256 -4.666 1.039 1.00 . A A . 15 ILE HG23 1 1 3 890 1 1 15 ILE N N 10.992 -1.467 0.891 1.00 . A A . 15 ILE N 1 1 3 891 1 1 15 ILE O O 13.430 -0.718 1.975 1.00 . A A . 15 ILE O 1 1 3 892 1 1 16 SER C C 16.522 -3.451 2.193 1.00 . A A . 16 SER C 1 1 3 893 1 1 16 SER CA C 15.495 -2.414 2.619 1.00 . A A . 16 SER CA 1 1 3 894 1 1 16 SER CB C 15.517 -2.222 4.137 1.00 . A A . 16 SER CB 1 1 3 895 1 1 16 SER H H 13.959 -3.774 2.125 1.00 . A A . 16 SER H 1 1 3 896 1 1 16 SER HA H 15.727 -1.474 2.139 1.00 . A A . 16 SER HA 1 1 3 897 1 1 16 SER HB2 H 15.282 -3.159 4.621 1.00 . A A . 16 SER HB2 1 1 3 898 1 1 16 SER HB3 H 16.499 -1.894 4.442 1.00 . A A . 16 SER HB3 1 1 3 899 1 1 16 SER HG H 14.144 -0.875 3.742 1.00 . A A . 16 SER HG 1 1 3 900 1 1 16 SER N N 14.169 -2.819 2.186 1.00 . A A . 16 SER N 1 1 3 901 1 1 16 SER O O 16.539 -4.547 2.785 1.00 . A A . 16 SER O 1 1 3 902 1 1 16 SER OXT O 17.292 -3.173 1.253 1.00 . A A . 16 SER OXT 1 1 3 903 1 1 16 SER OG O 14.563 -1.248 4.534 1.00 . A A . 16 SER OG 1 1 4 904 1 1 1 LYS C C -9.142 1.753 0.538 1.00 . A A . 1 LYS C 1 1 4 905 1 1 1 LYS CA C -10.176 2.785 0.969 1.00 . A A . 1 LYS CA 1 1 4 906 1 1 1 LYS CB C -9.644 3.603 2.151 1.00 . A A . 1 LYS CB 1 1 4 907 1 1 1 LYS CD C -10.010 5.474 3.787 1.00 . A A . 1 LYS CD 1 1 4 908 1 1 1 LYS CE C -10.959 6.562 4.261 1.00 . A A . 1 LYS CE 1 1 4 909 1 1 1 LYS CG C -10.588 4.702 2.611 1.00 . A A . 1 LYS CG 1 1 4 910 1 1 1 LYS H1 H -11.261 1.419 2.102 1.00 . A A . 1 LYS H1 1 1 4 911 1 1 1 LYS H2 H -11.839 1.616 0.524 1.00 . A A . 1 LYS H2 1 1 4 912 1 1 1 LYS H3 H -12.129 2.806 1.683 1.00 . A A . 1 LYS H3 1 1 4 913 1 1 1 LYS HA H -10.377 3.447 0.141 1.00 . A A . 1 LYS HA 1 1 4 914 1 1 1 LYS HB2 H -9.468 2.937 2.983 1.00 . A A . 1 LYS HB2 1 1 4 915 1 1 1 LYS HB3 H -8.709 4.058 1.864 1.00 . A A . 1 LYS HB3 1 1 4 916 1 1 1 LYS HD2 H -9.829 4.788 4.602 1.00 . A A . 1 LYS HD2 1 1 4 917 1 1 1 LYS HD3 H -9.079 5.927 3.482 1.00 . A A . 1 LYS HD3 1 1 4 918 1 1 1 LYS HE2 H -11.150 7.238 3.440 1.00 . A A . 1 LYS HE2 1 1 4 919 1 1 1 LYS HE3 H -11.886 6.104 4.572 1.00 . A A . 1 LYS HE3 1 1 4 920 1 1 1 LYS HG2 H -10.756 5.387 1.793 1.00 . A A . 1 LYS HG2 1 1 4 921 1 1 1 LYS HG3 H -11.525 4.258 2.910 1.00 . A A . 1 LYS HG3 1 1 4 922 1 1 1 LYS HZ1 H -10.226 6.708 6.212 1.00 . A A . 1 LYS HZ1 1 1 4 923 1 1 1 LYS HZ2 H -11.058 8.081 5.688 1.00 . A A . 1 LYS HZ2 1 1 4 924 1 1 1 LYS HZ3 H -9.494 7.777 5.122 1.00 . A A . 1 LYS HZ3 1 1 4 925 1 1 1 LYS N N -11.437 2.111 1.344 1.00 . A A . 1 LYS N 1 1 4 926 1 1 1 LYS NZ N -10.395 7.335 5.399 1.00 . A A . 1 LYS NZ 1 1 4 927 1 1 1 LYS O O -8.066 1.643 1.131 1.00 . A A . 1 LYS O 1 1 4 928 1 1 2 TRP C C -7.386 0.331 -1.648 1.00 . A A . 2 TRP C 1 1 4 929 1 1 2 TRP CA C -8.637 -0.118 -0.908 1.00 . A A . 2 TRP CA 1 1 4 930 1 1 2 TRP CB C -9.442 -1.102 -1.754 1.00 . A A . 2 TRP CB 1 1 4 931 1 1 2 TRP CD1 C -11.904 -1.570 -1.214 1.00 . A A . 2 TRP CD1 1 1 4 932 1 1 2 TRP CD2 C -10.449 -2.622 0.125 1.00 . A A . 2 TRP CD2 1 1 4 933 1 1 2 TRP CE2 C -11.754 -2.962 0.527 1.00 . A A . 2 TRP CE2 1 1 4 934 1 1 2 TRP CE3 C -9.367 -3.166 0.823 1.00 . A A . 2 TRP CE3 1 1 4 935 1 1 2 TRP CG C -10.567 -1.736 -0.994 1.00 . A A . 2 TRP CG 1 1 4 936 1 1 2 TRP CH2 C -10.929 -4.331 2.258 1.00 . A A . 2 TRP CH2 1 1 4 937 1 1 2 TRP CZ2 C -12.001 -3.820 1.597 1.00 . A A . 2 TRP CZ2 1 1 4 938 1 1 2 TRP CZ3 C -9.620 -4.014 1.884 1.00 . A A . 2 TRP CZ3 1 1 4 939 1 1 2 TRP H H -10.270 1.212 -1.018 1.00 . A A . 2 TRP H 1 1 4 940 1 1 2 TRP HA H -8.328 -0.616 -0.008 1.00 . A A . 2 TRP HA 1 1 4 941 1 1 2 TRP HB2 H -9.861 -0.580 -2.601 1.00 . A A . 2 TRP HB2 1 1 4 942 1 1 2 TRP HB3 H -8.789 -1.887 -2.105 1.00 . A A . 2 TRP HB3 1 1 4 943 1 1 2 TRP HD1 H -12.319 -0.952 -1.995 1.00 . A A . 2 TRP HD1 1 1 4 944 1 1 2 TRP HE1 H -13.605 -2.359 -0.261 1.00 . A A . 2 TRP HE1 1 1 4 945 1 1 2 TRP HE3 H -8.350 -2.930 0.549 1.00 . A A . 2 TRP HE3 1 1 4 946 1 1 2 TRP HH2 H -11.084 -4.993 3.087 1.00 . A A . 2 TRP HH2 1 1 4 947 1 1 2 TRP HZ2 H -12.995 -4.083 1.908 1.00 . A A . 2 TRP HZ2 1 1 4 948 1 1 2 TRP HZ3 H -8.800 -4.444 2.440 1.00 . A A . 2 TRP HZ3 1 1 4 949 1 1 2 TRP N N -9.463 1.002 -0.504 1.00 . A A . 2 TRP N 1 1 4 950 1 1 2 TRP NE1 N -12.625 -2.310 -0.307 1.00 . A A . 2 TRP NE1 1 1 4 951 1 1 2 TRP O O -6.319 -0.248 -1.463 1.00 . A A . 2 TRP O 1 1 4 952 1 1 3 ALA C C -5.358 2.557 -2.280 1.00 . A A . 3 ALA C 1 1 4 953 1 1 3 ALA CA C -6.355 1.869 -3.204 1.00 . A A . 3 ALA CA 1 1 4 954 1 1 3 ALA CB C -6.778 2.805 -4.323 1.00 . A A . 3 ALA CB 1 1 4 955 1 1 3 ALA H H -8.372 1.818 -2.553 1.00 . A A . 3 ALA H 1 1 4 956 1 1 3 ALA HA H -5.869 1.016 -3.655 1.00 . A A . 3 ALA HA 1 1 4 957 1 1 3 ALA HB1 H -7.606 2.370 -4.862 1.00 . A A . 3 ALA HB1 1 1 4 958 1 1 3 ALA HB2 H -5.946 2.945 -5.000 1.00 . A A . 3 ALA HB2 1 1 4 959 1 1 3 ALA HB3 H -7.074 3.756 -3.908 1.00 . A A . 3 ALA HB3 1 1 4 960 1 1 3 ALA N N -7.502 1.374 -2.457 1.00 . A A . 3 ALA N 1 1 4 961 1 1 3 ALA O O -4.237 2.857 -2.677 1.00 . A A . 3 ALA O 1 1 4 962 1 1 4 VAL C C -3.834 2.306 0.360 1.00 . A A . 4 VAL C 1 1 4 963 1 1 4 VAL CA C -4.870 3.351 -0.049 1.00 . A A . 4 VAL CA 1 1 4 964 1 1 4 VAL CB C -5.663 3.843 1.176 1.00 . A A . 4 VAL CB 1 1 4 965 1 1 4 VAL CG1 C -4.739 4.303 2.272 1.00 . A A . 4 VAL CG1 1 1 4 966 1 1 4 VAL CG2 C -6.593 4.975 0.786 1.00 . A A . 4 VAL CG2 1 1 4 967 1 1 4 VAL H H -6.677 2.562 -0.771 1.00 . A A . 4 VAL H 1 1 4 968 1 1 4 VAL HA H -4.366 4.195 -0.495 1.00 . A A . 4 VAL HA 1 1 4 969 1 1 4 VAL HB H -6.261 3.026 1.551 1.00 . A A . 4 VAL HB 1 1 4 970 1 1 4 VAL HG11 H -4.151 3.468 2.612 1.00 . A A . 4 VAL HG11 1 1 4 971 1 1 4 VAL HG12 H -5.325 4.696 3.087 1.00 . A A . 4 VAL HG12 1 1 4 972 1 1 4 VAL HG13 H -4.091 5.073 1.887 1.00 . A A . 4 VAL HG13 1 1 4 973 1 1 4 VAL HG21 H -6.019 5.766 0.329 1.00 . A A . 4 VAL HG21 1 1 4 974 1 1 4 VAL HG22 H -7.082 5.352 1.672 1.00 . A A . 4 VAL HG22 1 1 4 975 1 1 4 VAL HG23 H -7.333 4.612 0.087 1.00 . A A . 4 VAL HG23 1 1 4 976 1 1 4 VAL N N -5.760 2.787 -1.036 1.00 . A A . 4 VAL N 1 1 4 977 1 1 4 VAL O O -2.696 2.629 0.712 1.00 . A A . 4 VAL O 1 1 4 978 1 1 5 ARG C C -2.320 -0.178 -0.631 1.00 . A A . 5 ARG C 1 1 4 979 1 1 5 ARG CA C -3.324 -0.071 0.515 1.00 . A A . 5 ARG CA 1 1 4 980 1 1 5 ARG CB C -4.120 -1.374 0.660 1.00 . A A . 5 ARG CB 1 1 4 981 1 1 5 ARG CD C -2.799 -2.338 2.573 1.00 . A A . 5 ARG CD 1 1 4 982 1 1 5 ARG CG C -3.299 -2.557 1.153 1.00 . A A . 5 ARG CG 1 1 4 983 1 1 5 ARG CZ C -1.687 -3.647 4.347 1.00 . A A . 5 ARG CZ 1 1 4 984 1 1 5 ARG H H -5.154 0.851 -0.008 1.00 . A A . 5 ARG H 1 1 4 985 1 1 5 ARG HA H -2.793 0.132 1.434 1.00 . A A . 5 ARG HA 1 1 4 986 1 1 5 ARG HB2 H -4.927 -1.211 1.358 1.00 . A A . 5 ARG HB2 1 1 4 987 1 1 5 ARG HB3 H -4.538 -1.633 -0.302 1.00 . A A . 5 ARG HB3 1 1 4 988 1 1 5 ARG HD2 H -2.159 -1.469 2.587 1.00 . A A . 5 ARG HD2 1 1 4 989 1 1 5 ARG HD3 H -3.648 -2.170 3.218 1.00 . A A . 5 ARG HD3 1 1 4 990 1 1 5 ARG HE H -1.797 -4.183 2.418 1.00 . A A . 5 ARG HE 1 1 4 991 1 1 5 ARG HG2 H -3.916 -3.442 1.134 1.00 . A A . 5 ARG HG2 1 1 4 992 1 1 5 ARG HG3 H -2.451 -2.692 0.499 1.00 . A A . 5 ARG HG3 1 1 4 993 1 1 5 ARG HH11 H -2.529 -1.917 4.985 1.00 . A A . 5 ARG HH11 1 1 4 994 1 1 5 ARG HH12 H -1.749 -2.854 6.216 1.00 . A A . 5 ARG HH12 1 1 4 995 1 1 5 ARG HH21 H -0.766 -5.429 4.045 1.00 . A A . 5 ARG HH21 1 1 4 996 1 1 5 ARG HH22 H -0.740 -4.850 5.682 1.00 . A A . 5 ARG HH22 1 1 4 997 1 1 5 ARG N N -4.228 1.042 0.256 1.00 . A A . 5 ARG N 1 1 4 998 1 1 5 ARG NE N -2.046 -3.489 3.072 1.00 . A A . 5 ARG NE 1 1 4 999 1 1 5 ARG NH1 N -2.014 -2.732 5.253 1.00 . A A . 5 ARG NH1 1 1 4 1000 1 1 5 ARG NH2 N -1.010 -4.727 4.720 1.00 . A A . 5 ARG NH2 1 1 4 1001 1 1 5 ARG O O -1.229 -0.722 -0.475 1.00 . A A . 5 ARG O 1 1 4 1002 1 1 6 ILE C C -0.689 1.408 -2.685 1.00 . A A . 6 ILE C 1 1 4 1003 1 1 6 ILE CA C -1.844 0.440 -2.954 1.00 . A A . 6 ILE CA 1 1 4 1004 1 1 6 ILE CB C -2.647 0.903 -4.208 1.00 . A A . 6 ILE CB 1 1 4 1005 1 1 6 ILE CD1 C -4.217 -1.115 -3.837 1.00 . A A . 6 ILE CD1 1 1 4 1006 1 1 6 ILE CG1 C -3.482 -0.233 -4.826 1.00 . A A . 6 ILE CG1 1 1 4 1007 1 1 6 ILE CG2 C -1.720 1.482 -5.268 1.00 . A A . 6 ILE CG2 1 1 4 1008 1 1 6 ILE H H -3.610 0.747 -1.835 1.00 . A A . 6 ILE H 1 1 4 1009 1 1 6 ILE HA H -1.442 -0.552 -3.139 1.00 . A A . 6 ILE HA 1 1 4 1010 1 1 6 ILE HB H -3.316 1.691 -3.894 1.00 . A A . 6 ILE HB 1 1 4 1011 1 1 6 ILE HD11 H -4.831 -0.504 -3.195 1.00 . A A . 6 ILE HD11 1 1 4 1012 1 1 6 ILE HD12 H -3.500 -1.659 -3.239 1.00 . A A . 6 ILE HD12 1 1 4 1013 1 1 6 ILE HD13 H -4.841 -1.813 -4.373 1.00 . A A . 6 ILE HD13 1 1 4 1014 1 1 6 ILE HG12 H -4.229 0.209 -5.474 1.00 . A A . 6 ILE HG12 1 1 4 1015 1 1 6 ILE HG13 H -2.833 -0.865 -5.417 1.00 . A A . 6 ILE HG13 1 1 4 1016 1 1 6 ILE HG21 H -2.299 1.775 -6.131 1.00 . A A . 6 ILE HG21 1 1 4 1017 1 1 6 ILE HG22 H -0.994 0.738 -5.557 1.00 . A A . 6 ILE HG22 1 1 4 1018 1 1 6 ILE HG23 H -1.211 2.346 -4.866 1.00 . A A . 6 ILE HG23 1 1 4 1019 1 1 6 ILE N N -2.707 0.372 -1.777 1.00 . A A . 6 ILE N 1 1 4 1020 1 1 6 ILE O O 0.450 1.160 -3.072 1.00 . A A . 6 ILE O 1 1 4 1021 1 1 7 ILE C C 1.001 2.705 -0.609 1.00 . A A . 7 ILE C 1 1 4 1022 1 1 7 ILE CA C 0.055 3.431 -1.556 1.00 . A A . 7 ILE CA 1 1 4 1023 1 1 7 ILE CB C -0.534 4.689 -0.857 1.00 . A A . 7 ILE CB 1 1 4 1024 1 1 7 ILE CD1 C -2.263 5.218 -2.666 1.00 . A A . 7 ILE CD1 1 1 4 1025 1 1 7 ILE CG1 C -1.060 5.696 -1.888 1.00 . A A . 7 ILE CG1 1 1 4 1026 1 1 7 ILE CG2 C 0.501 5.357 0.040 1.00 . A A . 7 ILE CG2 1 1 4 1027 1 1 7 ILE H H -1.926 2.709 -1.800 1.00 . A A . 7 ILE H 1 1 4 1028 1 1 7 ILE HA H 0.612 3.751 -2.426 1.00 . A A . 7 ILE HA 1 1 4 1029 1 1 7 ILE HB H -1.355 4.369 -0.233 1.00 . A A . 7 ILE HB 1 1 4 1030 1 1 7 ILE HD11 H -2.014 4.304 -3.186 1.00 . A A . 7 ILE HD11 1 1 4 1031 1 1 7 ILE HD12 H -2.553 5.973 -3.383 1.00 . A A . 7 ILE HD12 1 1 4 1032 1 1 7 ILE HD13 H -3.080 5.033 -1.986 1.00 . A A . 7 ILE HD13 1 1 4 1033 1 1 7 ILE HG12 H -1.341 6.606 -1.379 1.00 . A A . 7 ILE HG12 1 1 4 1034 1 1 7 ILE HG13 H -0.274 5.918 -2.596 1.00 . A A . 7 ILE HG13 1 1 4 1035 1 1 7 ILE HG21 H 0.836 4.654 0.788 1.00 . A A . 7 ILE HG21 1 1 4 1036 1 1 7 ILE HG22 H 0.057 6.213 0.526 1.00 . A A . 7 ILE HG22 1 1 4 1037 1 1 7 ILE HG23 H 1.342 5.678 -0.556 1.00 . A A . 7 ILE HG23 1 1 4 1038 1 1 7 ILE N N -0.987 2.509 -2.002 1.00 . A A . 7 ILE N 1 1 4 1039 1 1 7 ILE O O 2.219 2.846 -0.694 1.00 . A A . 7 ILE O 1 1 4 1040 1 1 8 ARG C C 2.007 0.025 0.440 1.00 . A A . 8 ARG C 1 1 4 1041 1 1 8 ARG CA C 1.216 1.089 1.196 1.00 . A A . 8 ARG CA 1 1 4 1042 1 1 8 ARG CB C 0.314 0.427 2.236 1.00 . A A . 8 ARG CB 1 1 4 1043 1 1 8 ARG CD C 0.225 2.490 3.683 1.00 . A A . 8 ARG CD 1 1 4 1044 1 1 8 ARG CG C -0.577 1.404 2.984 1.00 . A A . 8 ARG CG 1 1 4 1045 1 1 8 ARG CZ C -0.285 4.675 4.716 1.00 . A A . 8 ARG CZ 1 1 4 1046 1 1 8 ARG H H -0.553 1.830 0.288 1.00 . A A . 8 ARG H 1 1 4 1047 1 1 8 ARG HA H 1.910 1.746 1.702 1.00 . A A . 8 ARG HA 1 1 4 1048 1 1 8 ARG HB2 H -0.317 -0.295 1.739 1.00 . A A . 8 ARG HB2 1 1 4 1049 1 1 8 ARG HB3 H 0.934 -0.087 2.957 1.00 . A A . 8 ARG HB3 1 1 4 1050 1 1 8 ARG HD2 H 0.880 2.029 4.406 1.00 . A A . 8 ARG HD2 1 1 4 1051 1 1 8 ARG HD3 H 0.813 3.018 2.948 1.00 . A A . 8 ARG HD3 1 1 4 1052 1 1 8 ARG HE H -1.558 3.140 4.580 1.00 . A A . 8 ARG HE 1 1 4 1053 1 1 8 ARG HG2 H -1.251 1.869 2.280 1.00 . A A . 8 ARG HG2 1 1 4 1054 1 1 8 ARG HG3 H -1.146 0.861 3.720 1.00 . A A . 8 ARG HG3 1 1 4 1055 1 1 8 ARG HH11 H 1.619 4.507 4.046 1.00 . A A . 8 ARG HH11 1 1 4 1056 1 1 8 ARG HH12 H 1.212 6.042 4.735 1.00 . A A . 8 ARG HH12 1 1 4 1057 1 1 8 ARG HH21 H -2.091 5.145 5.502 1.00 . A A . 8 ARG HH21 1 1 4 1058 1 1 8 ARG HH22 H -0.896 6.400 5.582 1.00 . A A . 8 ARG HH22 1 1 4 1059 1 1 8 ARG N N 0.428 1.891 0.267 1.00 . A A . 8 ARG N 1 1 4 1060 1 1 8 ARG NE N -0.644 3.440 4.370 1.00 . A A . 8 ARG NE 1 1 4 1061 1 1 8 ARG NH1 N 0.947 5.107 4.482 1.00 . A A . 8 ARG NH1 1 1 4 1062 1 1 8 ARG NH2 N -1.160 5.470 5.315 1.00 . A A . 8 ARG NH2 1 1 4 1063 1 1 8 ARG O O 2.995 -0.500 0.943 1.00 . A A . 8 ARG O 1 1 4 1064 1 1 9 LYS C C 3.539 -0.620 -2.152 1.00 . A A . 9 LYS C 1 1 4 1065 1 1 9 LYS CA C 2.256 -1.238 -1.627 1.00 . A A . 9 LYS CA 1 1 4 1066 1 1 9 LYS CB C 1.375 -1.655 -2.798 1.00 . A A . 9 LYS CB 1 1 4 1067 1 1 9 LYS CD C 1.583 -4.095 -2.413 1.00 . A A . 9 LYS CD 1 1 4 1068 1 1 9 LYS CE C 1.987 -5.428 -3.004 1.00 . A A . 9 LYS CE 1 1 4 1069 1 1 9 LYS CG C 1.781 -2.971 -3.405 1.00 . A A . 9 LYS CG 1 1 4 1070 1 1 9 LYS H H 0.745 0.145 -1.105 1.00 . A A . 9 LYS H 1 1 4 1071 1 1 9 LYS HA H 2.497 -2.106 -1.038 1.00 . A A . 9 LYS HA 1 1 4 1072 1 1 9 LYS HB2 H 0.357 -1.745 -2.454 1.00 . A A . 9 LYS HB2 1 1 4 1073 1 1 9 LYS HB3 H 1.431 -0.895 -3.566 1.00 . A A . 9 LYS HB3 1 1 4 1074 1 1 9 LYS HD2 H 2.186 -3.901 -1.538 1.00 . A A . 9 LYS HD2 1 1 4 1075 1 1 9 LYS HD3 H 0.538 -4.129 -2.136 1.00 . A A . 9 LYS HD3 1 1 4 1076 1 1 9 LYS HE2 H 3.003 -5.348 -3.353 1.00 . A A . 9 LYS HE2 1 1 4 1077 1 1 9 LYS HE3 H 1.926 -6.180 -2.234 1.00 . A A . 9 LYS HE3 1 1 4 1078 1 1 9 LYS HG2 H 1.176 -3.155 -4.272 1.00 . A A . 9 LYS HG2 1 1 4 1079 1 1 9 LYS HG3 H 2.823 -2.926 -3.685 1.00 . A A . 9 LYS HG3 1 1 4 1080 1 1 9 LYS HZ1 H 1.165 -5.107 -4.896 1.00 . A A . 9 LYS HZ1 1 1 4 1081 1 1 9 LYS HZ2 H 0.133 -5.914 -3.826 1.00 . A A . 9 LYS HZ2 1 1 4 1082 1 1 9 LYS HZ3 H 1.431 -6.737 -4.529 1.00 . A A . 9 LYS HZ3 1 1 4 1083 1 1 9 LYS N N 1.564 -0.282 -0.774 1.00 . A A . 9 LYS N 1 1 4 1084 1 1 9 LYS NZ N 1.119 -5.824 -4.143 1.00 . A A . 9 LYS NZ 1 1 4 1085 1 1 9 LYS O O 4.546 -1.299 -2.336 1.00 . A A . 9 LYS O 1 1 4 1086 1 1 10 PHE C C 5.635 1.542 -1.659 1.00 . A A . 10 PHE C 1 1 4 1087 1 1 10 PHE CA C 4.655 1.436 -2.812 1.00 . A A . 10 PHE CA 1 1 4 1088 1 1 10 PHE CB C 4.239 2.830 -3.260 1.00 . A A . 10 PHE CB 1 1 4 1089 1 1 10 PHE CD1 C 2.340 3.913 -4.470 1.00 . A A . 10 PHE CD1 1 1 4 1090 1 1 10 PHE CD2 C 3.050 1.759 -5.194 1.00 . A A . 10 PHE CD2 1 1 4 1091 1 1 10 PHE CE1 C 1.371 3.928 -5.451 1.00 . A A . 10 PHE CE1 1 1 4 1092 1 1 10 PHE CE2 C 2.083 1.765 -6.179 1.00 . A A . 10 PHE CE2 1 1 4 1093 1 1 10 PHE CG C 3.189 2.833 -4.332 1.00 . A A . 10 PHE CG 1 1 4 1094 1 1 10 PHE CZ C 1.243 2.854 -6.309 1.00 . A A . 10 PHE CZ 1 1 4 1095 1 1 10 PHE H H 2.629 1.146 -2.277 1.00 . A A . 10 PHE H 1 1 4 1096 1 1 10 PHE HA H 5.121 0.914 -3.633 1.00 . A A . 10 PHE HA 1 1 4 1097 1 1 10 PHE HB2 H 3.842 3.362 -2.409 1.00 . A A . 10 PHE HB2 1 1 4 1098 1 1 10 PHE HB3 H 5.104 3.353 -3.637 1.00 . A A . 10 PHE HB3 1 1 4 1099 1 1 10 PHE HD1 H 2.441 4.753 -3.799 1.00 . A A . 10 PHE HD1 1 1 4 1100 1 1 10 PHE HD2 H 3.701 0.905 -5.082 1.00 . A A . 10 PHE HD2 1 1 4 1101 1 1 10 PHE HE1 H 0.712 4.776 -5.547 1.00 . A A . 10 PHE HE1 1 1 4 1102 1 1 10 PHE HE2 H 1.985 0.923 -6.847 1.00 . A A . 10 PHE HE2 1 1 4 1103 1 1 10 PHE HZ H 0.485 2.862 -7.076 1.00 . A A . 10 PHE HZ 1 1 4 1104 1 1 10 PHE N N 3.487 0.680 -2.385 1.00 . A A . 10 PHE N 1 1 4 1105 1 1 10 PHE O O 6.846 1.655 -1.847 1.00 . A A . 10 PHE O 1 1 4 1106 1 1 11 ILE C C 6.477 0.117 0.940 1.00 . A A . 11 ILE C 1 1 4 1107 1 1 11 ILE CA C 5.871 1.492 0.762 1.00 . A A . 11 ILE CA 1 1 4 1108 1 1 11 ILE CB C 5.023 1.896 1.994 1.00 . A A . 11 ILE CB 1 1 4 1109 1 1 11 ILE CD1 C 4.644 4.084 0.750 1.00 . A A . 11 ILE CD1 1 1 4 1110 1 1 11 ILE CG1 C 4.897 3.420 2.079 1.00 . A A . 11 ILE CG1 1 1 4 1111 1 1 11 ILE CG2 C 5.638 1.362 3.270 1.00 . A A . 11 ILE CG2 1 1 4 1112 1 1 11 ILE H H 4.102 1.525 -0.404 1.00 . A A . 11 ILE H 1 1 4 1113 1 1 11 ILE HA H 6.674 2.204 0.659 1.00 . A A . 11 ILE HA 1 1 4 1114 1 1 11 ILE HB H 4.040 1.466 1.886 1.00 . A A . 11 ILE HB 1 1 4 1115 1 1 11 ILE HD11 H 3.669 3.795 0.386 1.00 . A A . 11 ILE HD11 1 1 4 1116 1 1 11 ILE HD12 H 5.402 3.751 0.043 1.00 . A A . 11 ILE HD12 1 1 4 1117 1 1 11 ILE HD13 H 4.692 5.155 0.860 1.00 . A A . 11 ILE HD13 1 1 4 1118 1 1 11 ILE HG12 H 4.077 3.670 2.734 1.00 . A A . 11 ILE HG12 1 1 4 1119 1 1 11 ILE HG13 H 5.812 3.828 2.486 1.00 . A A . 11 ILE HG13 1 1 4 1120 1 1 11 ILE HG21 H 6.663 1.701 3.332 1.00 . A A . 11 ILE HG21 1 1 4 1121 1 1 11 ILE HG22 H 5.614 0.283 3.256 1.00 . A A . 11 ILE HG22 1 1 4 1122 1 1 11 ILE HG23 H 5.082 1.728 4.118 1.00 . A A . 11 ILE HG23 1 1 4 1123 1 1 11 ILE N N 5.082 1.515 -0.464 1.00 . A A . 11 ILE N 1 1 4 1124 1 1 11 ILE O O 7.597 -0.025 1.423 1.00 . A A . 11 ILE O 1 1 4 1125 1 1 12 LYS C C 7.280 -2.334 -0.724 1.00 . A A . 12 LYS C 1 1 4 1126 1 1 12 LYS CA C 6.292 -2.241 0.430 1.00 . A A . 12 LYS CA 1 1 4 1127 1 1 12 LYS CB C 5.176 -3.272 0.283 1.00 . A A . 12 LYS CB 1 1 4 1128 1 1 12 LYS CD C 3.244 -4.444 1.380 1.00 . A A . 12 LYS CD 1 1 4 1129 1 1 12 LYS CE C 2.476 -4.615 2.676 1.00 . A A . 12 LYS CE 1 1 4 1130 1 1 12 LYS CG C 4.326 -3.394 1.530 1.00 . A A . 12 LYS CG 1 1 4 1131 1 1 12 LYS H H 4.829 -0.716 0.184 1.00 . A A . 12 LYS H 1 1 4 1132 1 1 12 LYS HA H 6.819 -2.425 1.355 1.00 . A A . 12 LYS HA 1 1 4 1133 1 1 12 LYS HB2 H 4.538 -2.986 -0.541 1.00 . A A . 12 LYS HB2 1 1 4 1134 1 1 12 LYS HB3 H 5.615 -4.237 0.073 1.00 . A A . 12 LYS HB3 1 1 4 1135 1 1 12 LYS HD2 H 2.562 -4.137 0.601 1.00 . A A . 12 LYS HD2 1 1 4 1136 1 1 12 LYS HD3 H 3.702 -5.386 1.114 1.00 . A A . 12 LYS HD3 1 1 4 1137 1 1 12 LYS HE2 H 1.705 -5.354 2.529 1.00 . A A . 12 LYS HE2 1 1 4 1138 1 1 12 LYS HE3 H 3.162 -4.954 3.437 1.00 . A A . 12 LYS HE3 1 1 4 1139 1 1 12 LYS HG2 H 4.961 -3.666 2.360 1.00 . A A . 12 LYS HG2 1 1 4 1140 1 1 12 LYS HG3 H 3.861 -2.439 1.731 1.00 . A A . 12 LYS HG3 1 1 4 1141 1 1 12 LYS HZ1 H 1.183 -2.998 2.402 1.00 . A A . 12 LYS HZ1 1 1 4 1142 1 1 12 LYS HZ2 H 2.582 -2.617 3.270 1.00 . A A . 12 LYS HZ2 1 1 4 1143 1 1 12 LYS HZ3 H 1.341 -3.484 4.014 1.00 . A A . 12 LYS HZ3 1 1 4 1144 1 1 12 LYS N N 5.751 -0.890 0.489 1.00 . A A . 12 LYS N 1 1 4 1145 1 1 12 LYS NZ N 1.851 -3.341 3.121 1.00 . A A . 12 LYS NZ 1 1 4 1146 1 1 12 LYS O O 8.013 -3.312 -0.868 1.00 . A A . 12 LYS O 1 1 4 1147 1 1 13 GLY C C 9.550 -0.558 -1.968 1.00 . A A . 13 GLY C 1 1 4 1148 1 1 13 GLY CA C 8.285 -1.133 -2.565 1.00 . A A . 13 GLY CA 1 1 4 1149 1 1 13 GLY H H 6.554 -0.636 -1.475 1.00 . A A . 13 GLY H 1 1 4 1150 1 1 13 GLY HA2 H 8.503 -2.096 -3.008 1.00 . A A . 13 GLY HA2 1 1 4 1151 1 1 13 GLY HA3 H 7.918 -0.462 -3.329 1.00 . A A . 13 GLY HA3 1 1 4 1152 1 1 13 GLY N N 7.271 -1.298 -1.552 1.00 . A A . 13 GLY N 1 1 4 1153 1 1 13 GLY O O 10.652 -0.985 -2.312 1.00 . A A . 13 GLY O 1 1 4 1154 1 1 14 PHE C C 11.102 -0.177 0.542 1.00 . A A . 14 PHE C 1 1 4 1155 1 1 14 PHE CA C 10.504 0.931 -0.310 1.00 . A A . 14 PHE CA 1 1 4 1156 1 1 14 PHE CB C 10.015 2.050 0.590 1.00 . A A . 14 PHE CB 1 1 4 1157 1 1 14 PHE CD1 C 10.107 3.750 -1.256 1.00 . A A . 14 PHE CD1 1 1 4 1158 1 1 14 PHE CD2 C 8.343 3.876 0.337 1.00 . A A . 14 PHE CD2 1 1 4 1159 1 1 14 PHE CE1 C 9.607 4.862 -1.906 1.00 . A A . 14 PHE CE1 1 1 4 1160 1 1 14 PHE CE2 C 7.836 4.989 -0.306 1.00 . A A . 14 PHE CE2 1 1 4 1161 1 1 14 PHE CG C 9.477 3.248 -0.130 1.00 . A A . 14 PHE CG 1 1 4 1162 1 1 14 PHE CZ C 8.468 5.483 -1.431 1.00 . A A . 14 PHE CZ 1 1 4 1163 1 1 14 PHE H H 8.511 0.817 -0.914 1.00 . A A . 14 PHE H 1 1 4 1164 1 1 14 PHE HA H 11.248 1.310 -0.992 1.00 . A A . 14 PHE HA 1 1 4 1165 1 1 14 PHE HB2 H 9.227 1.672 1.221 1.00 . A A . 14 PHE HB2 1 1 4 1166 1 1 14 PHE HB3 H 10.817 2.368 1.200 1.00 . A A . 14 PHE HB3 1 1 4 1167 1 1 14 PHE HD1 H 10.995 3.262 -1.629 1.00 . A A . 14 PHE HD1 1 1 4 1168 1 1 14 PHE HD2 H 7.854 3.486 1.221 1.00 . A A . 14 PHE HD2 1 1 4 1169 1 1 14 PHE HE1 H 10.106 5.246 -2.783 1.00 . A A . 14 PHE HE1 1 1 4 1170 1 1 14 PHE HE2 H 6.945 5.471 0.068 1.00 . A A . 14 PHE HE2 1 1 4 1171 1 1 14 PHE HZ H 8.073 6.352 -1.936 1.00 . A A . 14 PHE HZ 1 1 4 1172 1 1 14 PHE N N 9.396 0.419 -1.069 1.00 . A A . 14 PHE N 1 1 4 1173 1 1 14 PHE O O 12.259 -0.559 0.376 1.00 . A A . 14 PHE O 1 1 4 1174 1 1 15 ILE C C 10.046 -3.104 1.864 1.00 . A A . 15 ILE C 1 1 4 1175 1 1 15 ILE CA C 10.700 -1.797 2.305 1.00 . A A . 15 ILE CA 1 1 4 1176 1 1 15 ILE CB C 10.393 -1.523 3.796 1.00 . A A . 15 ILE CB 1 1 4 1177 1 1 15 ILE CD1 C 8.599 -0.684 5.409 1.00 . A A . 15 ILE CD1 1 1 4 1178 1 1 15 ILE CG1 C 8.970 -0.980 3.973 1.00 . A A . 15 ILE CG1 1 1 4 1179 1 1 15 ILE CG2 C 11.412 -0.554 4.373 1.00 . A A . 15 ILE CG2 1 1 4 1180 1 1 15 ILE H H 9.383 -0.311 1.556 1.00 . A A . 15 ILE H 1 1 4 1181 1 1 15 ILE HA H 11.770 -1.903 2.202 1.00 . A A . 15 ILE HA 1 1 4 1182 1 1 15 ILE HB H 10.482 -2.457 4.332 1.00 . A A . 15 ILE HB 1 1 4 1183 1 1 15 ILE HD11 H 9.292 0.036 5.819 1.00 . A A . 15 ILE HD11 1 1 4 1184 1 1 15 ILE HD12 H 8.643 -1.594 5.987 1.00 . A A . 15 ILE HD12 1 1 4 1185 1 1 15 ILE HD13 H 7.598 -0.281 5.447 1.00 . A A . 15 ILE HD13 1 1 4 1186 1 1 15 ILE HG12 H 8.871 -0.063 3.413 1.00 . A A . 15 ILE HG12 1 1 4 1187 1 1 15 ILE HG13 H 8.267 -1.707 3.591 1.00 . A A . 15 ILE HG13 1 1 4 1188 1 1 15 ILE HG21 H 11.366 0.378 3.830 1.00 . A A . 15 ILE HG21 1 1 4 1189 1 1 15 ILE HG22 H 12.403 -0.976 4.283 1.00 . A A . 15 ILE HG22 1 1 4 1190 1 1 15 ILE HG23 H 11.189 -0.375 5.414 1.00 . A A . 15 ILE HG23 1 1 4 1191 1 1 15 ILE N N 10.290 -0.690 1.453 1.00 . A A . 15 ILE N 1 1 4 1192 1 1 15 ILE O O 8.917 -3.419 2.246 1.00 . A A . 15 ILE O 1 1 4 1193 1 1 16 SER C C 10.764 -6.262 1.470 1.00 . A A . 16 SER C 1 1 4 1194 1 1 16 SER CA C 10.272 -5.138 0.562 1.00 . A A . 16 SER CA 1 1 4 1195 1 1 16 SER CB C 10.735 -5.369 -0.877 1.00 . A A . 16 SER CB 1 1 4 1196 1 1 16 SER H H 11.639 -3.539 0.744 1.00 . A A . 16 SER H 1 1 4 1197 1 1 16 SER HA H 9.193 -5.113 0.587 1.00 . A A . 16 SER HA 1 1 4 1198 1 1 16 SER HB2 H 11.812 -5.451 -0.899 1.00 . A A . 16 SER HB2 1 1 4 1199 1 1 16 SER HB3 H 10.296 -6.283 -1.251 1.00 . A A . 16 SER HB3 1 1 4 1200 1 1 16 SER HG H 9.608 -3.816 -1.303 1.00 . A A . 16 SER HG 1 1 4 1201 1 1 16 SER N N 10.760 -3.854 1.039 1.00 . A A . 16 SER N 1 1 4 1202 1 1 16 SER O O 10.042 -6.614 2.427 1.00 . A A . 16 SER O 1 1 4 1203 1 1 16 SER OXT O 11.882 -6.771 1.247 1.00 . A A . 16 SER OXT 1 1 4 1204 1 1 16 SER OG O 10.342 -4.295 -1.719 1.00 . A A . 16 SER OG 1 1 5 1205 1 1 1 LYS C C -9.235 1.730 0.727 1.00 . A A . 1 LYS C 1 1 5 1206 1 1 1 LYS CA C -10.240 2.816 1.107 1.00 . A A . 1 LYS CA 1 1 5 1207 1 1 1 LYS CB C -10.152 3.090 2.609 1.00 . A A . 1 LYS CB 1 1 5 1208 1 1 1 LYS CD C -10.945 4.437 4.586 1.00 . A A . 1 LYS CD 1 1 5 1209 1 1 1 LYS CE C -11.377 3.193 5.351 1.00 . A A . 1 LYS CE 1 1 5 1210 1 1 1 LYS CG C -11.031 4.238 3.078 1.00 . A A . 1 LYS CG 1 1 5 1211 1 1 1 LYS H1 H -11.696 2.313 -0.297 1.00 . A A . 1 LYS H1 1 1 5 1212 1 1 1 LYS H2 H -12.298 3.141 1.044 1.00 . A A . 1 LYS H2 1 1 5 1213 1 1 1 LYS H3 H -11.866 1.515 1.182 1.00 . A A . 1 LYS H3 1 1 5 1214 1 1 1 LYS HA H -9.993 3.719 0.570 1.00 . A A . 1 LYS HA 1 1 5 1215 1 1 1 LYS HB2 H -10.447 2.199 3.141 1.00 . A A . 1 LYS HB2 1 1 5 1216 1 1 1 LYS HB3 H -9.127 3.324 2.860 1.00 . A A . 1 LYS HB3 1 1 5 1217 1 1 1 LYS HD2 H -9.924 4.671 4.850 1.00 . A A . 1 LYS HD2 1 1 5 1218 1 1 1 LYS HD3 H -11.586 5.260 4.866 1.00 . A A . 1 LYS HD3 1 1 5 1219 1 1 1 LYS HE2 H -10.718 2.380 5.093 1.00 . A A . 1 LYS HE2 1 1 5 1220 1 1 1 LYS HE3 H -11.300 3.394 6.409 1.00 . A A . 1 LYS HE3 1 1 5 1221 1 1 1 LYS HG2 H -10.711 5.146 2.590 1.00 . A A . 1 LYS HG2 1 1 5 1222 1 1 1 LYS HG3 H -12.054 4.028 2.811 1.00 . A A . 1 LYS HG3 1 1 5 1223 1 1 1 LYS HZ1 H -13.058 1.983 5.618 1.00 . A A . 1 LYS HZ1 1 1 5 1224 1 1 1 LYS HZ2 H -12.862 2.533 4.032 1.00 . A A . 1 LYS HZ2 1 1 5 1225 1 1 1 LYS HZ3 H -13.426 3.585 5.229 1.00 . A A . 1 LYS HZ3 1 1 5 1226 1 1 1 LYS N N -11.619 2.419 0.733 1.00 . A A . 1 LYS N 1 1 5 1227 1 1 1 LYS NZ N -12.777 2.797 5.035 1.00 . A A . 1 LYS NZ 1 1 5 1228 1 1 1 LYS O O -8.188 1.591 1.360 1.00 . A A . 1 LYS O 1 1 5 1229 1 1 2 TRP C C -7.493 0.350 -1.515 1.00 . A A . 2 TRP C 1 1 5 1230 1 1 2 TRP CA C -8.693 -0.137 -0.713 1.00 . A A . 2 TRP CA 1 1 5 1231 1 1 2 TRP CB C -9.487 -1.166 -1.518 1.00 . A A . 2 TRP CB 1 1 5 1232 1 1 2 TRP CD1 C -10.633 -2.266 0.492 1.00 . A A . 2 TRP CD1 1 1 5 1233 1 1 2 TRP CD2 C -11.995 -1.868 -1.237 1.00 . A A . 2 TRP CD2 1 1 5 1234 1 1 2 TRP CE2 C -12.741 -2.470 -0.208 1.00 . A A . 2 TRP CE2 1 1 5 1235 1 1 2 TRP CE3 C -12.647 -1.528 -2.426 1.00 . A A . 2 TRP CE3 1 1 5 1236 1 1 2 TRP CG C -10.650 -1.742 -0.768 1.00 . A A . 2 TRP CG 1 1 5 1237 1 1 2 TRP CH2 C -14.705 -2.396 -1.499 1.00 . A A . 2 TRP CH2 1 1 5 1238 1 1 2 TRP CZ2 C -14.101 -2.736 -0.334 1.00 . A A . 2 TRP CZ2 1 1 5 1239 1 1 2 TRP CZ3 C -13.997 -1.798 -2.545 1.00 . A A . 2 TRP CZ3 1 1 5 1240 1 1 2 TRP H H -10.354 1.148 -0.821 1.00 . A A . 2 TRP H 1 1 5 1241 1 1 2 TRP HA H -8.332 -0.602 0.186 1.00 . A A . 2 TRP HA 1 1 5 1242 1 1 2 TRP HB2 H -9.869 -0.695 -2.411 1.00 . A A . 2 TRP HB2 1 1 5 1243 1 1 2 TRP HB3 H -8.834 -1.979 -1.796 1.00 . A A . 2 TRP HB3 1 1 5 1244 1 1 2 TRP HD1 H -9.754 -2.321 1.116 1.00 . A A . 2 TRP HD1 1 1 5 1245 1 1 2 TRP HE1 H -12.136 -3.113 1.695 1.00 . A A . 2 TRP HE1 1 1 5 1246 1 1 2 TRP HE3 H -12.114 -1.064 -3.242 1.00 . A A . 2 TRP HE3 1 1 5 1247 1 1 2 TRP HH2 H -15.754 -2.592 -1.628 1.00 . A A . 2 TRP HH2 1 1 5 1248 1 1 2 TRP HZ2 H -14.673 -3.195 0.452 1.00 . A A . 2 TRP HZ2 1 1 5 1249 1 1 2 TRP HZ3 H -14.520 -1.545 -3.453 1.00 . A A . 2 TRP HZ3 1 1 5 1250 1 1 2 TRP N N -9.542 0.968 -0.312 1.00 . A A . 2 TRP N 1 1 5 1251 1 1 2 TRP NE1 N -11.889 -2.701 0.837 1.00 . A A . 2 TRP NE1 1 1 5 1252 1 1 2 TRP O O -6.439 -0.289 -1.517 1.00 . A A . 2 TRP O 1 1 5 1253 1 1 3 ALA C C -5.492 2.681 -2.073 1.00 . A A . 3 ALA C 1 1 5 1254 1 1 3 ALA CA C -6.541 2.036 -2.967 1.00 . A A . 3 ALA CA 1 1 5 1255 1 1 3 ALA CB C -7.043 3.024 -4.005 1.00 . A A . 3 ALA CB 1 1 5 1256 1 1 3 ALA H H -8.485 1.983 -2.123 1.00 . A A . 3 ALA H 1 1 5 1257 1 1 3 ALA HA H -6.085 1.211 -3.493 1.00 . A A . 3 ALA HA 1 1 5 1258 1 1 3 ALA HB1 H -7.321 3.946 -3.520 1.00 . A A . 3 ALA HB1 1 1 5 1259 1 1 3 ALA HB2 H -7.901 2.608 -4.512 1.00 . A A . 3 ALA HB2 1 1 5 1260 1 1 3 ALA HB3 H -6.255 3.214 -4.723 1.00 . A A . 3 ALA HB3 1 1 5 1261 1 1 3 ALA N N -7.635 1.494 -2.174 1.00 . A A . 3 ALA N 1 1 5 1262 1 1 3 ALA O O -4.406 3.027 -2.528 1.00 . A A . 3 ALA O 1 1 5 1263 1 1 4 VAL C C -3.762 2.302 0.390 1.00 . A A . 4 VAL C 1 1 5 1264 1 1 4 VAL CA C -4.864 3.333 0.172 1.00 . A A . 4 VAL CA 1 1 5 1265 1 1 4 VAL CB C -5.560 3.644 1.506 1.00 . A A . 4 VAL CB 1 1 5 1266 1 1 4 VAL CG1 C -4.606 4.303 2.461 1.00 . A A . 4 VAL CG1 1 1 5 1267 1 1 4 VAL CG2 C -6.767 4.530 1.290 1.00 . A A . 4 VAL CG2 1 1 5 1268 1 1 4 VAL H H -6.710 2.595 -0.489 1.00 . A A . 4 VAL H 1 1 5 1269 1 1 4 VAL HA H -4.432 4.243 -0.218 1.00 . A A . 4 VAL HA 1 1 5 1270 1 1 4 VAL HB H -5.894 2.716 1.944 1.00 . A A . 4 VAL HB 1 1 5 1271 1 1 4 VAL HG11 H -5.124 4.519 3.382 1.00 . A A . 4 VAL HG11 1 1 5 1272 1 1 4 VAL HG12 H -4.250 5.220 2.022 1.00 . A A . 4 VAL HG12 1 1 5 1273 1 1 4 VAL HG13 H -3.778 3.643 2.653 1.00 . A A . 4 VAL HG13 1 1 5 1274 1 1 4 VAL HG21 H -7.477 4.028 0.649 1.00 . A A . 4 VAL HG21 1 1 5 1275 1 1 4 VAL HG22 H -6.451 5.454 0.829 1.00 . A A . 4 VAL HG22 1 1 5 1276 1 1 4 VAL HG23 H -7.224 4.742 2.243 1.00 . A A . 4 VAL HG23 1 1 5 1277 1 1 4 VAL N N -5.812 2.828 -0.794 1.00 . A A . 4 VAL N 1 1 5 1278 1 1 4 VAL O O -2.603 2.637 0.635 1.00 . A A . 4 VAL O 1 1 5 1279 1 1 5 ARG C C -2.295 -0.092 -0.872 1.00 . A A . 5 ARG C 1 1 5 1280 1 1 5 ARG CA C -3.193 -0.063 0.360 1.00 . A A . 5 ARG CA 1 1 5 1281 1 1 5 ARG CB C -3.935 -1.390 0.528 1.00 . A A . 5 ARG CB 1 1 5 1282 1 1 5 ARG CD C -4.128 -1.235 3.036 1.00 . A A . 5 ARG CD 1 1 5 1283 1 1 5 ARG CG C -4.878 -1.406 1.723 1.00 . A A . 5 ARG CG 1 1 5 1284 1 1 5 ARG CZ C -4.707 -1.033 5.430 1.00 . A A . 5 ARG CZ 1 1 5 1285 1 1 5 ARG H H -5.083 0.839 0.076 1.00 . A A . 5 ARG H 1 1 5 1286 1 1 5 ARG HA H -2.578 0.112 1.230 1.00 . A A . 5 ARG HA 1 1 5 1287 1 1 5 ARG HB2 H -4.512 -1.583 -0.365 1.00 . A A . 5 ARG HB2 1 1 5 1288 1 1 5 ARG HB3 H -3.211 -2.181 0.657 1.00 . A A . 5 ARG HB3 1 1 5 1289 1 1 5 ARG HD2 H -3.612 -2.157 3.263 1.00 . A A . 5 ARG HD2 1 1 5 1290 1 1 5 ARG HD3 H -3.407 -0.440 2.923 1.00 . A A . 5 ARG HD3 1 1 5 1291 1 1 5 ARG HE H -5.915 -0.552 3.910 1.00 . A A . 5 ARG HE 1 1 5 1292 1 1 5 ARG HG2 H -5.589 -0.600 1.620 1.00 . A A . 5 ARG HG2 1 1 5 1293 1 1 5 ARG HG3 H -5.402 -2.350 1.740 1.00 . A A . 5 ARG HG3 1 1 5 1294 1 1 5 ARG HH11 H -2.869 -1.811 5.083 1.00 . A A . 5 ARG HH11 1 1 5 1295 1 1 5 ARG HH12 H -3.284 -1.610 6.756 1.00 . A A . 5 ARG HH12 1 1 5 1296 1 1 5 ARG HH21 H -6.464 -0.280 6.106 1.00 . A A . 5 ARG HH21 1 1 5 1297 1 1 5 ARG HH22 H -5.330 -0.750 7.335 1.00 . A A . 5 ARG HH22 1 1 5 1298 1 1 5 ARG N N -4.138 1.037 0.255 1.00 . A A . 5 ARG N 1 1 5 1299 1 1 5 ARG NE N -5.027 -0.908 4.143 1.00 . A A . 5 ARG NE 1 1 5 1300 1 1 5 ARG NH1 N -3.528 -1.527 5.783 1.00 . A A . 5 ARG NH1 1 1 5 1301 1 1 5 ARG NH2 N -5.569 -0.660 6.364 1.00 . A A . 5 ARG NH2 1 1 5 1302 1 1 5 ARG O O -1.236 -0.704 -0.867 1.00 . A A . 5 ARG O 1 1 5 1303 1 1 6 ILE C C -0.762 1.697 -2.821 1.00 . A A . 6 ILE C 1 1 5 1304 1 1 6 ILE CA C -1.933 0.762 -3.131 1.00 . A A . 6 ILE CA 1 1 5 1305 1 1 6 ILE CB C -2.785 1.339 -4.298 1.00 . A A . 6 ILE CB 1 1 5 1306 1 1 6 ILE CD1 C -4.281 -0.757 -4.104 1.00 . A A . 6 ILE CD1 1 1 5 1307 1 1 6 ILE CG1 C -3.602 0.247 -5.014 1.00 . A A . 6 ILE CG1 1 1 5 1308 1 1 6 ILE CG2 C -1.909 2.068 -5.307 1.00 . A A . 6 ILE CG2 1 1 5 1309 1 1 6 ILE H H -3.636 0.975 -1.896 1.00 . A A . 6 ILE H 1 1 5 1310 1 1 6 ILE HA H -1.538 -0.206 -3.428 1.00 . A A . 6 ILE HA 1 1 5 1311 1 1 6 ILE HB H -3.469 2.061 -3.877 1.00 . A A . 6 ILE HB 1 1 5 1312 1 1 6 ILE HD11 H -4.898 -0.237 -3.388 1.00 . A A . 6 ILE HD11 1 1 5 1313 1 1 6 ILE HD12 H -3.533 -1.332 -3.581 1.00 . A A . 6 ILE HD12 1 1 5 1314 1 1 6 ILE HD13 H -4.897 -1.419 -4.695 1.00 . A A . 6 ILE HD13 1 1 5 1315 1 1 6 ILE HG12 H -4.379 0.730 -5.593 1.00 . A A . 6 ILE HG12 1 1 5 1316 1 1 6 ILE HG13 H -2.951 -0.297 -5.683 1.00 . A A . 6 ILE HG13 1 1 5 1317 1 1 6 ILE HG21 H -1.380 2.869 -4.811 1.00 . A A . 6 ILE HG21 1 1 5 1318 1 1 6 ILE HG22 H -2.527 2.476 -6.093 1.00 . A A . 6 ILE HG22 1 1 5 1319 1 1 6 ILE HG23 H -1.196 1.376 -5.731 1.00 . A A . 6 ILE HG23 1 1 5 1320 1 1 6 ILE N N -2.739 0.580 -1.927 1.00 . A A . 6 ILE N 1 1 5 1321 1 1 6 ILE O O 0.338 1.526 -3.332 1.00 . A A . 6 ILE O 1 1 5 1322 1 1 7 ILE C C 1.016 2.704 -0.603 1.00 . A A . 7 ILE C 1 1 5 1323 1 1 7 ILE CA C 0.081 3.529 -1.480 1.00 . A A . 7 ILE CA 1 1 5 1324 1 1 7 ILE CB C -0.442 4.768 -0.704 1.00 . A A . 7 ILE CB 1 1 5 1325 1 1 7 ILE CD1 C -2.365 5.431 -2.257 1.00 . A A . 7 ILE CD1 1 1 5 1326 1 1 7 ILE CG1 C -1.019 5.804 -1.675 1.00 . A A . 7 ILE CG1 1 1 5 1327 1 1 7 ILE CG2 C 0.663 5.398 0.137 1.00 . A A . 7 ILE CG2 1 1 5 1328 1 1 7 ILE H H -1.914 2.833 -1.643 1.00 . A A . 7 ILE H 1 1 5 1329 1 1 7 ILE HA H 0.633 3.877 -2.342 1.00 . A A . 7 ILE HA 1 1 5 1330 1 1 7 ILE HB H -1.224 4.440 -0.035 1.00 . A A . 7 ILE HB 1 1 5 1331 1 1 7 ILE HD11 H -2.682 6.195 -2.950 1.00 . A A . 7 ILE HD11 1 1 5 1332 1 1 7 ILE HD12 H -3.088 5.344 -1.461 1.00 . A A . 7 ILE HD12 1 1 5 1333 1 1 7 ILE HD13 H -2.283 4.486 -2.775 1.00 . A A . 7 ILE HD13 1 1 5 1334 1 1 7 ILE HG12 H -1.134 6.745 -1.159 1.00 . A A . 7 ILE HG12 1 1 5 1335 1 1 7 ILE HG13 H -0.328 5.933 -2.496 1.00 . A A . 7 ILE HG13 1 1 5 1336 1 1 7 ILE HG21 H 1.034 4.672 0.845 1.00 . A A . 7 ILE HG21 1 1 5 1337 1 1 7 ILE HG22 H 0.267 6.250 0.670 1.00 . A A . 7 ILE HG22 1 1 5 1338 1 1 7 ILE HG23 H 1.468 5.718 -0.507 1.00 . A A . 7 ILE HG23 1 1 5 1339 1 1 7 ILE N N -0.999 2.678 -1.959 1.00 . A A . 7 ILE N 1 1 5 1340 1 1 7 ILE O O 2.236 2.873 -0.634 1.00 . A A . 7 ILE O 1 1 5 1341 1 1 8 ARG C C 1.963 -0.122 0.049 1.00 . A A . 8 ARG C 1 1 5 1342 1 1 8 ARG CA C 1.203 0.841 0.951 1.00 . A A . 8 ARG CA 1 1 5 1343 1 1 8 ARG CB C 0.292 0.057 1.897 1.00 . A A . 8 ARG CB 1 1 5 1344 1 1 8 ARG CD C 0.480 1.666 3.815 1.00 . A A . 8 ARG CD 1 1 5 1345 1 1 8 ARG CG C -0.464 0.935 2.876 1.00 . A A . 8 ARG CG 1 1 5 1346 1 1 8 ARG CZ C 0.346 3.295 5.655 1.00 . A A . 8 ARG CZ 1 1 5 1347 1 1 8 ARG H H -0.549 1.730 0.166 1.00 . A A . 8 ARG H 1 1 5 1348 1 1 8 ARG HA H 1.914 1.408 1.532 1.00 . A A . 8 ARG HA 1 1 5 1349 1 1 8 ARG HB2 H -0.429 -0.493 1.310 1.00 . A A . 8 ARG HB2 1 1 5 1350 1 1 8 ARG HB3 H 0.893 -0.641 2.460 1.00 . A A . 8 ARG HB3 1 1 5 1351 1 1 8 ARG HD2 H 0.993 0.941 4.428 1.00 . A A . 8 ARG HD2 1 1 5 1352 1 1 8 ARG HD3 H 1.201 2.214 3.227 1.00 . A A . 8 ARG HD3 1 1 5 1353 1 1 8 ARG HE H -1.196 2.717 4.518 1.00 . A A . 8 ARG HE 1 1 5 1354 1 1 8 ARG HG2 H -1.039 1.662 2.323 1.00 . A A . 8 ARG HG2 1 1 5 1355 1 1 8 ARG HG3 H -1.127 0.316 3.459 1.00 . A A . 8 ARG HG3 1 1 5 1356 1 1 8 ARG HH11 H 2.175 2.457 5.407 1.00 . A A . 8 ARG HH11 1 1 5 1357 1 1 8 ARG HH12 H 2.076 3.654 6.658 1.00 . A A . 8 ARG HH12 1 1 5 1358 1 1 8 ARG HH21 H -1.350 4.270 6.175 1.00 . A A . 8 ARG HH21 1 1 5 1359 1 1 8 ARG HH22 H 0.056 4.678 7.104 1.00 . A A . 8 ARG HH22 1 1 5 1360 1 1 8 ARG N N 0.431 1.778 0.149 1.00 . A A . 8 ARG N 1 1 5 1361 1 1 8 ARG NE N -0.231 2.599 4.681 1.00 . A A . 8 ARG NE 1 1 5 1362 1 1 8 ARG NH1 N 1.634 3.120 5.930 1.00 . A A . 8 ARG NH1 1 1 5 1363 1 1 8 ARG NH2 N -0.373 4.150 6.369 1.00 . A A . 8 ARG NH2 1 1 5 1364 1 1 8 ARG O O 2.978 -0.682 0.446 1.00 . A A . 8 ARG O 1 1 5 1365 1 1 9 LYS C C 3.499 -0.561 -2.471 1.00 . A A . 9 LYS C 1 1 5 1366 1 1 9 LYS CA C 2.125 -1.132 -2.163 1.00 . A A . 9 LYS CA 1 1 5 1367 1 1 9 LYS CB C 1.294 -1.187 -3.437 1.00 . A A . 9 LYS CB 1 1 5 1368 1 1 9 LYS CD C 1.668 -3.626 -3.750 1.00 . A A . 9 LYS CD 1 1 5 1369 1 1 9 LYS CE C 1.961 -4.734 -4.748 1.00 . A A . 9 LYS CE 1 1 5 1370 1 1 9 LYS CG C 1.745 -2.261 -4.398 1.00 . A A . 9 LYS CG 1 1 5 1371 1 1 9 LYS H H 0.610 0.125 -1.398 1.00 . A A . 9 LYS H 1 1 5 1372 1 1 9 LYS HA H 2.229 -2.129 -1.769 1.00 . A A . 9 LYS HA 1 1 5 1373 1 1 9 LYS HB2 H 0.264 -1.376 -3.175 1.00 . A A . 9 LYS HB2 1 1 5 1374 1 1 9 LYS HB3 H 1.361 -0.228 -3.937 1.00 . A A . 9 LYS HB3 1 1 5 1375 1 1 9 LYS HD2 H 2.394 -3.669 -2.947 1.00 . A A . 9 LYS HD2 1 1 5 1376 1 1 9 LYS HD3 H 0.673 -3.760 -3.348 1.00 . A A . 9 LYS HD3 1 1 5 1377 1 1 9 LYS HE2 H 1.262 -4.656 -5.567 1.00 . A A . 9 LYS HE2 1 1 5 1378 1 1 9 LYS HE3 H 2.967 -4.607 -5.121 1.00 . A A . 9 LYS HE3 1 1 5 1379 1 1 9 LYS HG2 H 1.104 -2.245 -5.258 1.00 . A A . 9 LYS HG2 1 1 5 1380 1 1 9 LYS HG3 H 2.765 -2.066 -4.696 1.00 . A A . 9 LYS HG3 1 1 5 1381 1 1 9 LYS HZ1 H 0.881 -6.218 -3.753 1.00 . A A . 9 LYS HZ1 1 1 5 1382 1 1 9 LYS HZ2 H 2.526 -6.196 -3.367 1.00 . A A . 9 LYS HZ2 1 1 5 1383 1 1 9 LYS HZ3 H 2.017 -6.816 -4.852 1.00 . A A . 9 LYS HZ3 1 1 5 1384 1 1 9 LYS N N 1.461 -0.303 -1.167 1.00 . A A . 9 LYS N 1 1 5 1385 1 1 9 LYS NZ N 1.838 -6.083 -4.137 1.00 . A A . 9 LYS NZ 1 1 5 1386 1 1 9 LYS O O 4.495 -1.281 -2.515 1.00 . A A . 9 LYS O 1 1 5 1387 1 1 10 PHE C C 5.683 1.313 -1.654 1.00 . A A . 10 PHE C 1 1 5 1388 1 1 10 PHE CA C 4.776 1.471 -2.867 1.00 . A A . 10 PHE CA 1 1 5 1389 1 1 10 PHE CB C 4.483 2.946 -3.108 1.00 . A A . 10 PHE CB 1 1 5 1390 1 1 10 PHE CD1 C 4.603 3.481 -5.545 1.00 . A A . 10 PHE CD1 1 1 5 1391 1 1 10 PHE CD2 C 2.452 3.206 -4.564 1.00 . A A . 10 PHE CD2 1 1 5 1392 1 1 10 PHE CE1 C 4.016 3.733 -6.770 1.00 . A A . 10 PHE CE1 1 1 5 1393 1 1 10 PHE CE2 C 1.858 3.457 -5.786 1.00 . A A . 10 PHE CE2 1 1 5 1394 1 1 10 PHE CG C 3.831 3.215 -4.432 1.00 . A A . 10 PHE CG 1 1 5 1395 1 1 10 PHE CZ C 2.641 3.723 -6.890 1.00 . A A . 10 PHE CZ 1 1 5 1396 1 1 10 PHE H H 2.680 1.241 -2.687 1.00 . A A . 10 PHE H 1 1 5 1397 1 1 10 PHE HA H 5.271 1.064 -3.736 1.00 . A A . 10 PHE HA 1 1 5 1398 1 1 10 PHE HB2 H 3.822 3.302 -2.331 1.00 . A A . 10 PHE HB2 1 1 5 1399 1 1 10 PHE HB3 H 5.408 3.500 -3.069 1.00 . A A . 10 PHE HB3 1 1 5 1400 1 1 10 PHE HD1 H 5.677 3.484 -5.450 1.00 . A A . 10 PHE HD1 1 1 5 1401 1 1 10 PHE HD2 H 1.837 2.993 -3.701 1.00 . A A . 10 PHE HD2 1 1 5 1402 1 1 10 PHE HE1 H 4.633 3.940 -7.632 1.00 . A A . 10 PHE HE1 1 1 5 1403 1 1 10 PHE HE2 H 0.783 3.447 -5.874 1.00 . A A . 10 PHE HE2 1 1 5 1404 1 1 10 PHE HZ H 2.179 3.921 -7.846 1.00 . A A . 10 PHE HZ 1 1 5 1405 1 1 10 PHE N N 3.529 0.746 -2.669 1.00 . A A . 10 PHE N 1 1 5 1406 1 1 10 PHE O O 6.902 1.239 -1.777 1.00 . A A . 10 PHE O 1 1 5 1407 1 1 11 ILE C C 6.390 -0.320 0.827 1.00 . A A . 11 ILE C 1 1 5 1408 1 1 11 ILE CA C 5.799 1.071 0.768 1.00 . A A . 11 ILE CA 1 1 5 1409 1 1 11 ILE CB C 4.903 1.343 2.001 1.00 . A A . 11 ILE CB 1 1 5 1410 1 1 11 ILE CD1 C 4.878 3.696 1.053 1.00 . A A . 11 ILE CD1 1 1 5 1411 1 1 11 ILE CG1 C 4.846 2.843 2.295 1.00 . A A . 11 ILE CG1 1 1 5 1412 1 1 11 ILE CG2 C 5.425 0.604 3.217 1.00 . A A . 11 ILE CG2 1 1 5 1413 1 1 11 ILE H H 4.093 1.333 -0.452 1.00 . A A . 11 ILE H 1 1 5 1414 1 1 11 ILE HA H 6.608 1.781 0.789 1.00 . A A . 11 ILE HA 1 1 5 1415 1 1 11 ILE HB H 3.908 0.984 1.786 1.00 . A A . 11 ILE HB 1 1 5 1416 1 1 11 ILE HD11 H 4.801 4.738 1.321 1.00 . A A . 11 ILE HD11 1 1 5 1417 1 1 11 ILE HD12 H 4.052 3.416 0.414 1.00 . A A . 11 ILE HD12 1 1 5 1418 1 1 11 ILE HD13 H 5.811 3.518 0.530 1.00 . A A . 11 ILE HD13 1 1 5 1419 1 1 11 ILE HG12 H 3.933 3.065 2.827 1.00 . A A . 11 ILE HG12 1 1 5 1420 1 1 11 ILE HG13 H 5.691 3.117 2.910 1.00 . A A . 11 ILE HG13 1 1 5 1421 1 1 11 ILE HG21 H 5.341 -0.460 3.056 1.00 . A A . 11 ILE HG21 1 1 5 1422 1 1 11 ILE HG22 H 4.851 0.886 4.087 1.00 . A A . 11 ILE HG22 1 1 5 1423 1 1 11 ILE HG23 H 6.462 0.864 3.365 1.00 . A A . 11 ILE HG23 1 1 5 1424 1 1 11 ILE N N 5.069 1.253 -0.480 1.00 . A A . 11 ILE N 1 1 5 1425 1 1 11 ILE O O 7.500 -0.508 1.316 1.00 . A A . 11 ILE O 1 1 5 1426 1 1 12 LYS C C 7.420 -2.754 -0.572 1.00 . A A . 12 LYS C 1 1 5 1427 1 1 12 LYS CA C 6.136 -2.658 0.242 1.00 . A A . 12 LYS CA 1 1 5 1428 1 1 12 LYS CB C 5.071 -3.594 -0.335 1.00 . A A . 12 LYS CB 1 1 5 1429 1 1 12 LYS CD C 2.805 -4.673 -0.047 1.00 . A A . 12 LYS CD 1 1 5 1430 1 1 12 LYS CE C 3.065 -6.109 0.397 1.00 . A A . 12 LYS CE 1 1 5 1431 1 1 12 LYS CG C 3.822 -3.695 0.525 1.00 . A A . 12 LYS CG 1 1 5 1432 1 1 12 LYS H H 4.785 -1.048 -0.117 1.00 . A A . 12 LYS H 1 1 5 1433 1 1 12 LYS HA H 6.349 -2.957 1.257 1.00 . A A . 12 LYS HA 1 1 5 1434 1 1 12 LYS HB2 H 4.782 -3.234 -1.311 1.00 . A A . 12 LYS HB2 1 1 5 1435 1 1 12 LYS HB3 H 5.493 -4.582 -0.437 1.00 . A A . 12 LYS HB3 1 1 5 1436 1 1 12 LYS HD2 H 1.820 -4.383 0.281 1.00 . A A . 12 LYS HD2 1 1 5 1437 1 1 12 LYS HD3 H 2.853 -4.629 -1.125 1.00 . A A . 12 LYS HD3 1 1 5 1438 1 1 12 LYS HE2 H 3.144 -6.125 1.473 1.00 . A A . 12 LYS HE2 1 1 5 1439 1 1 12 LYS HE3 H 2.228 -6.721 0.093 1.00 . A A . 12 LYS HE3 1 1 5 1440 1 1 12 LYS HG2 H 4.104 -4.025 1.514 1.00 . A A . 12 LYS HG2 1 1 5 1441 1 1 12 LYS HG3 H 3.366 -2.718 0.592 1.00 . A A . 12 LYS HG3 1 1 5 1442 1 1 12 LYS HZ1 H 4.295 -6.595 -1.219 1.00 . A A . 12 LYS HZ1 1 1 5 1443 1 1 12 LYS HZ2 H 4.402 -7.679 0.071 1.00 . A A . 12 LYS HZ2 1 1 5 1444 1 1 12 LYS HZ3 H 5.143 -6.165 0.180 1.00 . A A . 12 LYS HZ3 1 1 5 1445 1 1 12 LYS N N 5.663 -1.279 0.279 1.00 . A A . 12 LYS N 1 1 5 1446 1 1 12 LYS NZ N 4.313 -6.674 -0.183 1.00 . A A . 12 LYS NZ 1 1 5 1447 1 1 12 LYS O O 8.260 -3.614 -0.323 1.00 . A A . 12 LYS O 1 1 5 1448 1 1 13 GLY C C 9.822 -0.882 -1.727 1.00 . A A . 13 GLY C 1 1 5 1449 1 1 13 GLY CA C 8.780 -1.808 -2.328 1.00 . A A . 13 GLY CA 1 1 5 1450 1 1 13 GLY H H 6.842 -1.220 -1.719 1.00 . A A . 13 GLY H 1 1 5 1451 1 1 13 GLY HA2 H 9.194 -2.804 -2.394 1.00 . A A . 13 GLY HA2 1 1 5 1452 1 1 13 GLY HA3 H 8.537 -1.460 -3.324 1.00 . A A . 13 GLY HA3 1 1 5 1453 1 1 13 GLY N N 7.568 -1.857 -1.539 1.00 . A A . 13 GLY N 1 1 5 1454 1 1 13 GLY O O 11.024 -1.085 -1.911 1.00 . A A . 13 GLY O 1 1 5 1455 1 1 14 PHE C C 11.007 0.469 0.771 1.00 . A A . 14 PHE C 1 1 5 1456 1 1 14 PHE CA C 10.249 1.097 -0.391 1.00 . A A . 14 PHE CA 1 1 5 1457 1 1 14 PHE CB C 9.391 2.275 0.049 1.00 . A A . 14 PHE CB 1 1 5 1458 1 1 14 PHE CD1 C 11.049 3.730 1.229 1.00 . A A . 14 PHE CD1 1 1 5 1459 1 1 14 PHE CD2 C 9.116 2.981 2.394 1.00 . A A . 14 PHE CD2 1 1 5 1460 1 1 14 PHE CE1 C 11.471 4.414 2.353 1.00 . A A . 14 PHE CE1 1 1 5 1461 1 1 14 PHE CE2 C 9.524 3.658 3.526 1.00 . A A . 14 PHE CE2 1 1 5 1462 1 1 14 PHE CG C 9.872 3.011 1.248 1.00 . A A . 14 PHE CG 1 1 5 1463 1 1 14 PHE CZ C 10.706 4.379 3.506 1.00 . A A . 14 PHE CZ 1 1 5 1464 1 1 14 PHE H H 8.394 0.249 -0.870 1.00 . A A . 14 PHE H 1 1 5 1465 1 1 14 PHE HA H 10.954 1.434 -1.133 1.00 . A A . 14 PHE HA 1 1 5 1466 1 1 14 PHE HB2 H 9.332 2.970 -0.754 1.00 . A A . 14 PHE HB2 1 1 5 1467 1 1 14 PHE HB3 H 8.400 1.912 0.264 1.00 . A A . 14 PHE HB3 1 1 5 1468 1 1 14 PHE HD1 H 11.640 3.748 0.325 1.00 . A A . 14 PHE HD1 1 1 5 1469 1 1 14 PHE HD2 H 8.193 2.413 2.390 1.00 . A A . 14 PHE HD2 1 1 5 1470 1 1 14 PHE HE1 H 12.394 4.974 2.332 1.00 . A A . 14 PHE HE1 1 1 5 1471 1 1 14 PHE HE2 H 8.924 3.627 4.423 1.00 . A A . 14 PHE HE2 1 1 5 1472 1 1 14 PHE HZ H 11.032 4.911 4.388 1.00 . A A . 14 PHE HZ 1 1 5 1473 1 1 14 PHE N N 9.366 0.135 -1.005 1.00 . A A . 14 PHE N 1 1 5 1474 1 1 14 PHE O O 12.232 0.573 0.859 1.00 . A A . 14 PHE O 1 1 5 1475 1 1 15 ILE C C 11.530 -2.198 2.297 1.00 . A A . 15 ILE C 1 1 5 1476 1 1 15 ILE CA C 10.879 -0.900 2.771 1.00 . A A . 15 ILE CA 1 1 5 1477 1 1 15 ILE CB C 9.855 -1.229 3.883 1.00 . A A . 15 ILE CB 1 1 5 1478 1 1 15 ILE CD1 C 7.747 -2.573 4.402 1.00 . A A . 15 ILE CD1 1 1 5 1479 1 1 15 ILE CG1 C 8.799 -2.218 3.375 1.00 . A A . 15 ILE CG1 1 1 5 1480 1 1 15 ILE CG2 C 9.201 0.046 4.393 1.00 . A A . 15 ILE CG2 1 1 5 1481 1 1 15 ILE H H 9.294 -0.171 1.542 1.00 . A A . 15 ILE H 1 1 5 1482 1 1 15 ILE HA H 11.643 -0.263 3.192 1.00 . A A . 15 ILE HA 1 1 5 1483 1 1 15 ILE HB H 10.390 -1.679 4.705 1.00 . A A . 15 ILE HB 1 1 5 1484 1 1 15 ILE HD11 H 8.226 -2.973 5.284 1.00 . A A . 15 ILE HD11 1 1 5 1485 1 1 15 ILE HD12 H 7.075 -3.310 3.991 1.00 . A A . 15 ILE HD12 1 1 5 1486 1 1 15 ILE HD13 H 7.189 -1.686 4.667 1.00 . A A . 15 ILE HD13 1 1 5 1487 1 1 15 ILE HG12 H 8.294 -1.788 2.522 1.00 . A A . 15 ILE HG12 1 1 5 1488 1 1 15 ILE HG13 H 9.289 -3.132 3.072 1.00 . A A . 15 ILE HG13 1 1 5 1489 1 1 15 ILE HG21 H 8.489 -0.200 5.167 1.00 . A A . 15 ILE HG21 1 1 5 1490 1 1 15 ILE HG22 H 8.693 0.540 3.579 1.00 . A A . 15 ILE HG22 1 1 5 1491 1 1 15 ILE HG23 H 9.958 0.702 4.797 1.00 . A A . 15 ILE HG23 1 1 5 1492 1 1 15 ILE N N 10.272 -0.183 1.649 1.00 . A A . 15 ILE N 1 1 5 1493 1 1 15 ILE O O 11.179 -2.736 1.243 1.00 . A A . 15 ILE O 1 1 5 1494 1 1 16 SER C C 12.714 -5.033 3.723 1.00 . A A . 16 SER C 1 1 5 1495 1 1 16 SER CA C 13.155 -3.942 2.756 1.00 . A A . 16 SER CA 1 1 5 1496 1 1 16 SER CB C 14.673 -3.762 2.809 1.00 . A A . 16 SER CB 1 1 5 1497 1 1 16 SER H H 12.742 -2.203 3.879 1.00 . A A . 16 SER H 1 1 5 1498 1 1 16 SER HA H 12.868 -4.228 1.755 1.00 . A A . 16 SER HA 1 1 5 1499 1 1 16 SER HB2 H 14.961 -3.437 3.797 1.00 . A A . 16 SER HB2 1 1 5 1500 1 1 16 SER HB3 H 15.152 -4.705 2.586 1.00 . A A . 16 SER HB3 1 1 5 1501 1 1 16 SER HG H 15.299 -1.968 2.323 1.00 . A A . 16 SER HG 1 1 5 1502 1 1 16 SER N N 12.483 -2.690 3.070 1.00 . A A . 16 SER N 1 1 5 1503 1 1 16 SER O O 13.000 -4.912 4.933 1.00 . A A . 16 SER O 1 1 5 1504 1 1 16 SER OXT O 12.071 -6.004 3.277 1.00 . A A . 16 SER OXT 1 1 5 1505 1 1 16 SER OG O 15.105 -2.793 1.864 1.00 . A A . 16 SER OG 1 1 6 1506 1 1 1 LYS C C -9.618 2.195 0.466 1.00 . A A . 1 LYS C 1 1 6 1507 1 1 1 LYS CA C -10.622 3.324 0.711 1.00 . A A . 1 LYS CA 1 1 6 1508 1 1 1 LYS CB C -11.506 2.989 1.918 1.00 . A A . 1 LYS CB 1 1 6 1509 1 1 1 LYS CD C -13.228 1.492 2.961 1.00 . A A . 1 LYS CD 1 1 6 1510 1 1 1 LYS CE C -14.169 0.315 2.756 1.00 . A A . 1 LYS CE 1 1 6 1511 1 1 1 LYS CG C -12.421 1.794 1.708 1.00 . A A . 1 LYS CG 1 1 6 1512 1 1 1 LYS H1 H -11.990 2.741 -0.747 1.00 . A A . 1 LYS H1 1 1 6 1513 1 1 1 LYS H2 H -10.849 3.865 -1.285 1.00 . A A . 1 LYS H2 1 1 6 1514 1 1 1 LYS H3 H -12.121 4.364 -0.291 1.00 . A A . 1 LYS H3 1 1 6 1515 1 1 1 LYS HA H -10.069 4.227 0.931 1.00 . A A . 1 LYS HA 1 1 6 1516 1 1 1 LYS HB2 H -10.869 2.779 2.764 1.00 . A A . 1 LYS HB2 1 1 6 1517 1 1 1 LYS HB3 H -12.119 3.847 2.147 1.00 . A A . 1 LYS HB3 1 1 6 1518 1 1 1 LYS HD2 H -12.549 1.257 3.767 1.00 . A A . 1 LYS HD2 1 1 6 1519 1 1 1 LYS HD3 H -13.809 2.364 3.222 1.00 . A A . 1 LYS HD3 1 1 6 1520 1 1 1 LYS HE2 H -14.743 0.168 3.659 1.00 . A A . 1 LYS HE2 1 1 6 1521 1 1 1 LYS HE3 H -14.837 0.546 1.940 1.00 . A A . 1 LYS HE3 1 1 6 1522 1 1 1 LYS HG2 H -13.101 2.011 0.896 1.00 . A A . 1 LYS HG2 1 1 6 1523 1 1 1 LYS HG3 H -11.821 0.933 1.456 1.00 . A A . 1 LYS HG3 1 1 6 1524 1 1 1 LYS HZ1 H -12.928 -0.843 1.538 1.00 . A A . 1 LYS HZ1 1 1 6 1525 1 1 1 LYS HZ2 H -14.100 -1.735 2.365 1.00 . A A . 1 LYS HZ2 1 1 6 1526 1 1 1 LYS HZ3 H -12.746 -1.150 3.190 1.00 . A A . 1 LYS HZ3 1 1 6 1527 1 1 1 LYS N N -11.453 3.588 -0.483 1.00 . A A . 1 LYS N 1 1 6 1528 1 1 1 LYS NZ N -13.436 -0.940 2.440 1.00 . A A . 1 LYS NZ 1 1 6 1529 1 1 1 LYS O O -8.635 2.071 1.195 1.00 . A A . 1 LYS O 1 1 6 1530 1 1 2 TRP C C -7.700 0.675 -1.553 1.00 . A A . 2 TRP C 1 1 6 1531 1 1 2 TRP CA C -8.961 0.243 -0.813 1.00 . A A . 2 TRP CA 1 1 6 1532 1 1 2 TRP CB C -9.682 -0.872 -1.588 1.00 . A A . 2 TRP CB 1 1 6 1533 1 1 2 TRP CD1 C -11.416 -0.067 -3.302 1.00 . A A . 2 TRP CD1 1 1 6 1534 1 1 2 TRP CD2 C -9.400 -0.493 -4.178 1.00 . A A . 2 TRP CD2 1 1 6 1535 1 1 2 TRP CE2 C -10.255 -0.062 -5.209 1.00 . A A . 2 TRP CE2 1 1 6 1536 1 1 2 TRP CE3 C -8.078 -0.818 -4.497 1.00 . A A . 2 TRP CE3 1 1 6 1537 1 1 2 TRP CG C -10.161 -0.482 -2.961 1.00 . A A . 2 TRP CG 1 1 6 1538 1 1 2 TRP CH2 C -8.540 -0.274 -6.807 1.00 . A A . 2 TRP CH2 1 1 6 1539 1 1 2 TRP CZ2 C -9.830 0.047 -6.531 1.00 . A A . 2 TRP CZ2 1 1 6 1540 1 1 2 TRP CZ3 C -7.664 -0.706 -5.810 1.00 . A A . 2 TRP CZ3 1 1 6 1541 1 1 2 TRP H H -10.597 1.534 -1.155 1.00 . A A . 2 TRP H 1 1 6 1542 1 1 2 TRP HA H -8.669 -0.143 0.147 1.00 . A A . 2 TRP HA 1 1 6 1543 1 1 2 TRP HB2 H -9.008 -1.707 -1.703 1.00 . A A . 2 TRP HB2 1 1 6 1544 1 1 2 TRP HB3 H -10.540 -1.193 -1.016 1.00 . A A . 2 TRP HB3 1 1 6 1545 1 1 2 TRP HD1 H -12.230 0.042 -2.602 1.00 . A A . 2 TRP HD1 1 1 6 1546 1 1 2 TRP HE1 H -12.275 0.504 -5.134 1.00 . A A . 2 TRP HE1 1 1 6 1547 1 1 2 TRP HE3 H -7.386 -1.154 -3.738 1.00 . A A . 2 TRP HE3 1 1 6 1548 1 1 2 TRP HH2 H -8.182 -0.200 -7.816 1.00 . A A . 2 TRP HH2 1 1 6 1549 1 1 2 TRP HZ2 H -10.480 0.378 -7.320 1.00 . A A . 2 TRP HZ2 1 1 6 1550 1 1 2 TRP HZ3 H -6.649 -0.952 -6.077 1.00 . A A . 2 TRP HZ3 1 1 6 1551 1 1 2 TRP N N -9.841 1.376 -0.560 1.00 . A A . 2 TRP N 1 1 6 1552 1 1 2 TRP NE1 N -11.480 0.189 -4.650 1.00 . A A . 2 TRP NE1 1 1 6 1553 1 1 2 TRP O O -6.700 -0.042 -1.558 1.00 . A A . 2 TRP O 1 1 6 1554 1 1 3 ALA C C -5.453 2.735 -1.992 1.00 . A A . 3 ALA C 1 1 6 1555 1 1 3 ALA CA C -6.604 2.359 -2.916 1.00 . A A . 3 ALA CA 1 1 6 1556 1 1 3 ALA CB C -7.007 3.543 -3.774 1.00 . A A . 3 ALA CB 1 1 6 1557 1 1 3 ALA H H -8.556 2.399 -2.096 1.00 . A A . 3 ALA H 1 1 6 1558 1 1 3 ALA HA H -6.274 1.567 -3.573 1.00 . A A . 3 ALA HA 1 1 6 1559 1 1 3 ALA HB1 H -6.185 3.811 -4.419 1.00 . A A . 3 ALA HB1 1 1 6 1560 1 1 3 ALA HB2 H -7.253 4.380 -3.139 1.00 . A A . 3 ALA HB2 1 1 6 1561 1 1 3 ALA HB3 H -7.864 3.278 -4.374 1.00 . A A . 3 ALA HB3 1 1 6 1562 1 1 3 ALA N N -7.740 1.856 -2.158 1.00 . A A . 3 ALA N 1 1 6 1563 1 1 3 ALA O O -4.321 2.913 -2.437 1.00 . A A . 3 ALA O 1 1 6 1564 1 1 4 VAL C C -3.743 1.942 0.339 1.00 . A A . 4 VAL C 1 1 6 1565 1 1 4 VAL CA C -4.738 3.100 0.298 1.00 . A A . 4 VAL CA 1 1 6 1566 1 1 4 VAL CB C -5.385 3.289 1.680 1.00 . A A . 4 VAL CB 1 1 6 1567 1 1 4 VAL CG1 C -4.351 3.644 2.710 1.00 . A A . 4 VAL CG1 1 1 6 1568 1 1 4 VAL CG2 C -6.449 4.365 1.635 1.00 . A A . 4 VAL CG2 1 1 6 1569 1 1 4 VAL H H -6.678 2.763 -0.412 1.00 . A A . 4 VAL H 1 1 6 1570 1 1 4 VAL HA H -4.219 4.008 0.031 1.00 . A A . 4 VAL HA 1 1 6 1571 1 1 4 VAL HB H -5.853 2.360 1.971 1.00 . A A . 4 VAL HB 1 1 6 1572 1 1 4 VAL HG11 H -4.839 3.821 3.653 1.00 . A A . 4 VAL HG11 1 1 6 1573 1 1 4 VAL HG12 H -3.836 4.536 2.394 1.00 . A A . 4 VAL HG12 1 1 6 1574 1 1 4 VAL HG13 H -3.649 2.833 2.807 1.00 . A A . 4 VAL HG13 1 1 6 1575 1 1 4 VAL HG21 H -6.836 4.520 2.630 1.00 . A A . 4 VAL HG21 1 1 6 1576 1 1 4 VAL HG22 H -7.248 4.058 0.978 1.00 . A A . 4 VAL HG22 1 1 6 1577 1 1 4 VAL HG23 H -6.013 5.284 1.273 1.00 . A A . 4 VAL HG23 1 1 6 1578 1 1 4 VAL N N -5.750 2.845 -0.703 1.00 . A A . 4 VAL N 1 1 6 1579 1 1 4 VAL O O -2.556 2.131 0.614 1.00 . A A . 4 VAL O 1 1 6 1580 1 1 5 ARG C C -2.323 -0.276 -1.128 1.00 . A A . 5 ARG C 1 1 6 1581 1 1 5 ARG CA C -3.393 -0.444 -0.048 1.00 . A A . 5 ARG CA 1 1 6 1582 1 1 5 ARG CB C -4.234 -1.683 -0.367 1.00 . A A . 5 ARG CB 1 1 6 1583 1 1 5 ARG CD C -4.550 -2.746 1.907 1.00 . A A . 5 ARG CD 1 1 6 1584 1 1 5 ARG CG C -5.229 -2.081 0.717 1.00 . A A . 5 ARG CG 1 1 6 1585 1 1 5 ARG CZ C -3.009 -2.039 3.705 1.00 . A A . 5 ARG CZ 1 1 6 1586 1 1 5 ARG H H -5.198 0.659 -0.165 1.00 . A A . 5 ARG H 1 1 6 1587 1 1 5 ARG HA H -2.909 -0.577 0.912 1.00 . A A . 5 ARG HA 1 1 6 1588 1 1 5 ARG HB2 H -4.788 -1.498 -1.275 1.00 . A A . 5 ARG HB2 1 1 6 1589 1 1 5 ARG HB3 H -3.568 -2.517 -0.533 1.00 . A A . 5 ARG HB3 1 1 6 1590 1 1 5 ARG HD2 H -5.272 -3.369 2.412 1.00 . A A . 5 ARG HD2 1 1 6 1591 1 1 5 ARG HD3 H -3.742 -3.362 1.543 1.00 . A A . 5 ARG HD3 1 1 6 1592 1 1 5 ARG HE H -4.457 -0.903 2.915 1.00 . A A . 5 ARG HE 1 1 6 1593 1 1 5 ARG HG2 H -5.741 -1.195 1.060 1.00 . A A . 5 ARG HG2 1 1 6 1594 1 1 5 ARG HG3 H -5.946 -2.769 0.294 1.00 . A A . 5 ARG HG3 1 1 6 1595 1 1 5 ARG HH11 H -2.604 -3.872 2.942 1.00 . A A . 5 ARG HH11 1 1 6 1596 1 1 5 ARG HH12 H -1.598 -3.380 4.266 1.00 . A A . 5 ARG HH12 1 1 6 1597 1 1 5 ARG HH21 H -3.141 -0.260 4.667 1.00 . A A . 5 ARG HH21 1 1 6 1598 1 1 5 ARG HH22 H -1.900 -1.332 5.244 1.00 . A A . 5 ARG HH22 1 1 6 1599 1 1 5 ARG N N -4.236 0.743 0.027 1.00 . A A . 5 ARG N 1 1 6 1600 1 1 5 ARG NE N -4.013 -1.779 2.865 1.00 . A A . 5 ARG NE 1 1 6 1601 1 1 5 ARG NH1 N -2.350 -3.188 3.629 1.00 . A A . 5 ARG NH1 1 1 6 1602 1 1 5 ARG NH2 N -2.653 -1.137 4.609 1.00 . A A . 5 ARG NH2 1 1 6 1603 1 1 5 ARG O O -1.255 -0.876 -1.051 1.00 . A A . 5 ARG O 1 1 6 1604 1 1 6 ILE C C -0.539 1.676 -2.784 1.00 . A A . 6 ILE C 1 1 6 1605 1 1 6 ILE CA C -1.693 0.784 -3.232 1.00 . A A . 6 ILE CA 1 1 6 1606 1 1 6 ILE CB C -2.399 1.424 -4.434 1.00 . A A . 6 ILE CB 1 1 6 1607 1 1 6 ILE CD1 C -3.817 0.438 -6.286 1.00 . A A . 6 ILE CD1 1 1 6 1608 1 1 6 ILE CG1 C -3.624 0.586 -4.806 1.00 . A A . 6 ILE CG1 1 1 6 1609 1 1 6 ILE CG2 C -1.429 1.557 -5.605 1.00 . A A . 6 ILE CG2 1 1 6 1610 1 1 6 ILE H H -3.481 1.017 -2.125 1.00 . A A . 6 ILE H 1 1 6 1611 1 1 6 ILE HA H -1.301 -0.178 -3.553 1.00 . A A . 6 ILE HA 1 1 6 1612 1 1 6 ILE HB H -2.723 2.411 -4.155 1.00 . A A . 6 ILE HB 1 1 6 1613 1 1 6 ILE HD11 H -3.908 1.414 -6.732 1.00 . A A . 6 ILE HD11 1 1 6 1614 1 1 6 ILE HD12 H -4.706 -0.141 -6.482 1.00 . A A . 6 ILE HD12 1 1 6 1615 1 1 6 ILE HD13 H -2.954 -0.067 -6.695 1.00 . A A . 6 ILE HD13 1 1 6 1616 1 1 6 ILE HG12 H -3.521 -0.402 -4.385 1.00 . A A . 6 ILE HG12 1 1 6 1617 1 1 6 ILE HG13 H -4.510 1.057 -4.400 1.00 . A A . 6 ILE HG13 1 1 6 1618 1 1 6 ILE HG21 H -1.942 1.999 -6.447 1.00 . A A . 6 ILE HG21 1 1 6 1619 1 1 6 ILE HG22 H -1.060 0.581 -5.880 1.00 . A A . 6 ILE HG22 1 1 6 1620 1 1 6 ILE HG23 H -0.601 2.187 -5.315 1.00 . A A . 6 ILE HG23 1 1 6 1621 1 1 6 ILE N N -2.619 0.550 -2.129 1.00 . A A . 6 ILE N 1 1 6 1622 1 1 6 ILE O O 0.595 1.513 -3.225 1.00 . A A . 6 ILE O 1 1 6 1623 1 1 7 ILE C C 1.100 2.527 -0.434 1.00 . A A . 7 ILE C 1 1 6 1624 1 1 7 ILE CA C 0.219 3.428 -1.287 1.00 . A A . 7 ILE CA 1 1 6 1625 1 1 7 ILE CB C -0.347 4.587 -0.422 1.00 . A A . 7 ILE CB 1 1 6 1626 1 1 7 ILE CD1 C -2.276 5.314 -1.940 1.00 . A A . 7 ILE CD1 1 1 6 1627 1 1 7 ILE CG1 C -0.959 5.688 -1.298 1.00 . A A . 7 ILE CG1 1 1 6 1628 1 1 7 ILE CG2 C 0.738 5.179 0.469 1.00 . A A . 7 ILE CG2 1 1 6 1629 1 1 7 ILE H H -1.764 2.768 -1.641 1.00 . A A . 7 ILE H 1 1 6 1630 1 1 7 ILE HA H 0.820 3.850 -2.082 1.00 . A A . 7 ILE HA 1 1 6 1631 1 1 7 ILE HB H -1.116 4.182 0.218 1.00 . A A . 7 ILE HB 1 1 6 1632 1 1 7 ILE HD11 H -2.140 4.437 -2.555 1.00 . A A . 7 ILE HD11 1 1 6 1633 1 1 7 ILE HD12 H -2.622 6.133 -2.552 1.00 . A A . 7 ILE HD12 1 1 6 1634 1 1 7 ILE HD13 H -3.004 5.106 -1.172 1.00 . A A . 7 ILE HD13 1 1 6 1635 1 1 7 ILE HG12 H -1.129 6.565 -0.692 1.00 . A A . 7 ILE HG12 1 1 6 1636 1 1 7 ILE HG13 H -0.263 5.935 -2.087 1.00 . A A . 7 ILE HG13 1 1 6 1637 1 1 7 ILE HG21 H 0.321 5.978 1.063 1.00 . A A . 7 ILE HG21 1 1 6 1638 1 1 7 ILE HG22 H 1.535 5.568 -0.147 1.00 . A A . 7 ILE HG22 1 1 6 1639 1 1 7 ILE HG23 H 1.128 4.411 1.120 1.00 . A A . 7 ILE HG23 1 1 6 1640 1 1 7 ILE N N -0.830 2.618 -1.895 1.00 . A A . 7 ILE N 1 1 6 1641 1 1 7 ILE O O 2.324 2.628 -0.451 1.00 . A A . 7 ILE O 1 1 6 1642 1 1 8 ARG C C 1.956 -0.312 0.161 1.00 . A A . 8 ARG C 1 1 6 1643 1 1 8 ARG CA C 1.171 0.622 1.071 1.00 . A A . 8 ARG CA 1 1 6 1644 1 1 8 ARG CB C 0.186 -0.182 1.913 1.00 . A A . 8 ARG CB 1 1 6 1645 1 1 8 ARG CD C 0.158 1.482 3.788 1.00 . A A . 8 ARG CD 1 1 6 1646 1 1 8 ARG CG C -0.682 0.680 2.809 1.00 . A A . 8 ARG CG 1 1 6 1647 1 1 8 ARG CZ C 1.970 1.084 5.413 1.00 . A A . 8 ARG CZ 1 1 6 1648 1 1 8 ARG H H -0.525 1.609 0.276 1.00 . A A . 8 ARG H 1 1 6 1649 1 1 8 ARG HA H 1.859 1.141 1.725 1.00 . A A . 8 ARG HA 1 1 6 1650 1 1 8 ARG HB2 H -0.459 -0.743 1.252 1.00 . A A . 8 ARG HB2 1 1 6 1651 1 1 8 ARG HB3 H 0.739 -0.869 2.535 1.00 . A A . 8 ARG HB3 1 1 6 1652 1 1 8 ARG HD2 H 0.779 2.168 3.233 1.00 . A A . 8 ARG HD2 1 1 6 1653 1 1 8 ARG HD3 H -0.503 2.039 4.434 1.00 . A A . 8 ARG HD3 1 1 6 1654 1 1 8 ARG HE H 0.864 -0.344 4.552 1.00 . A A . 8 ARG HE 1 1 6 1655 1 1 8 ARG HG2 H -1.250 1.363 2.196 1.00 . A A . 8 ARG HG2 1 1 6 1656 1 1 8 ARG HG3 H -1.355 0.043 3.359 1.00 . A A . 8 ARG HG3 1 1 6 1657 1 1 8 ARG HH11 H 1.652 3.034 4.963 1.00 . A A . 8 ARG HH11 1 1 6 1658 1 1 8 ARG HH12 H 2.919 2.736 6.109 1.00 . A A . 8 ARG HH12 1 1 6 1659 1 1 8 ARG HH21 H 2.543 -0.752 6.046 1.00 . A A . 8 ARG HH21 1 1 6 1660 1 1 8 ARG HH22 H 3.417 0.578 6.735 1.00 . A A . 8 ARG HH22 1 1 6 1661 1 1 8 ARG N N 0.459 1.613 0.280 1.00 . A A . 8 ARG N 1 1 6 1662 1 1 8 ARG NE N 1.014 0.626 4.607 1.00 . A A . 8 ARG NE 1 1 6 1663 1 1 8 ARG NH1 N 2.199 2.387 5.503 1.00 . A A . 8 ARG NH1 1 1 6 1664 1 1 8 ARG NH2 N 2.703 0.235 6.119 1.00 . A A . 8 ARG NH2 1 1 6 1665 1 1 8 ARG O O 2.960 -0.891 0.567 1.00 . A A . 8 ARG O 1 1 6 1666 1 1 9 LYS C C 3.501 -0.627 -2.412 1.00 . A A . 9 LYS C 1 1 6 1667 1 1 9 LYS CA C 2.159 -1.250 -2.078 1.00 . A A . 9 LYS CA 1 1 6 1668 1 1 9 LYS CB C 1.314 -1.339 -3.340 1.00 . A A . 9 LYS CB 1 1 6 1669 1 1 9 LYS CD C 1.627 -3.798 -3.504 1.00 . A A . 9 LYS CD 1 1 6 1670 1 1 9 LYS CE C 1.796 -4.980 -4.445 1.00 . A A . 9 LYS CE 1 1 6 1671 1 1 9 LYS CG C 1.713 -2.482 -4.243 1.00 . A A . 9 LYS CG 1 1 6 1672 1 1 9 LYS H H 0.649 0.008 -1.312 1.00 . A A . 9 LYS H 1 1 6 1673 1 1 9 LYS HA H 2.312 -2.239 -1.681 1.00 . A A . 9 LYS HA 1 1 6 1674 1 1 9 LYS HB2 H 0.279 -1.468 -3.063 1.00 . A A . 9 LYS HB2 1 1 6 1675 1 1 9 LYS HB3 H 1.422 -0.416 -3.896 1.00 . A A . 9 LYS HB3 1 1 6 1676 1 1 9 LYS HD2 H 2.407 -3.826 -2.751 1.00 . A A . 9 LYS HD2 1 1 6 1677 1 1 9 LYS HD3 H 0.659 -3.859 -3.026 1.00 . A A . 9 LYS HD3 1 1 6 1678 1 1 9 LYS HE2 H 1.708 -5.892 -3.875 1.00 . A A . 9 LYS HE2 1 1 6 1679 1 1 9 LYS HE3 H 1.010 -4.946 -5.186 1.00 . A A . 9 LYS HE3 1 1 6 1680 1 1 9 LYS HG2 H 1.048 -2.510 -5.087 1.00 . A A . 9 LYS HG2 1 1 6 1681 1 1 9 LYS HG3 H 2.728 -2.330 -4.578 1.00 . A A . 9 LYS HG3 1 1 6 1682 1 1 9 LYS HZ1 H 3.882 -5.052 -4.441 1.00 . A A . 9 LYS HZ1 1 1 6 1683 1 1 9 LYS HZ2 H 3.234 -4.080 -5.662 1.00 . A A . 9 LYS HZ2 1 1 6 1684 1 1 9 LYS HZ3 H 3.174 -5.761 -5.803 1.00 . A A . 9 LYS HZ3 1 1 6 1685 1 1 9 LYS N N 1.484 -0.446 -1.072 1.00 . A A . 9 LYS N 1 1 6 1686 1 1 9 LYS NZ N 3.113 -4.966 -5.134 1.00 . A A . 9 LYS NZ 1 1 6 1687 1 1 9 LYS O O 4.504 -1.319 -2.595 1.00 . A A . 9 LYS O 1 1 6 1688 1 1 10 PHE C C 5.665 1.220 -1.547 1.00 . A A . 10 PHE C 1 1 6 1689 1 1 10 PHE CA C 4.720 1.447 -2.714 1.00 . A A . 10 PHE CA 1 1 6 1690 1 1 10 PHE CB C 4.404 2.937 -2.845 1.00 . A A . 10 PHE CB 1 1 6 1691 1 1 10 PHE CD1 C 3.176 2.430 -4.987 1.00 . A A . 10 PHE CD1 1 1 6 1692 1 1 10 PHE CD2 C 2.618 4.416 -3.792 1.00 . A A . 10 PHE CD2 1 1 6 1693 1 1 10 PHE CE1 C 2.236 2.742 -5.950 1.00 . A A . 10 PHE CE1 1 1 6 1694 1 1 10 PHE CE2 C 1.676 4.732 -4.751 1.00 . A A . 10 PHE CE2 1 1 6 1695 1 1 10 PHE CG C 3.377 3.264 -3.896 1.00 . A A . 10 PHE CG 1 1 6 1696 1 1 10 PHE CZ C 1.484 3.894 -5.832 1.00 . A A . 10 PHE CZ 1 1 6 1697 1 1 10 PHE H H 2.652 1.178 -2.399 1.00 . A A . 10 PHE H 1 1 6 1698 1 1 10 PHE HA H 5.182 1.093 -3.623 1.00 . A A . 10 PHE HA 1 1 6 1699 1 1 10 PHE HB2 H 4.025 3.293 -1.898 1.00 . A A . 10 PHE HB2 1 1 6 1700 1 1 10 PHE HB3 H 5.312 3.469 -3.085 1.00 . A A . 10 PHE HB3 1 1 6 1701 1 1 10 PHE HD1 H 3.758 1.526 -5.076 1.00 . A A . 10 PHE HD1 1 1 6 1702 1 1 10 PHE HD2 H 2.766 5.070 -2.945 1.00 . A A . 10 PHE HD2 1 1 6 1703 1 1 10 PHE HE1 H 2.088 2.085 -6.794 1.00 . A A . 10 PHE HE1 1 1 6 1704 1 1 10 PHE HE2 H 1.089 5.633 -4.655 1.00 . A A . 10 PHE HE2 1 1 6 1705 1 1 10 PHE HZ H 0.751 4.139 -6.584 1.00 . A A . 10 PHE HZ 1 1 6 1706 1 1 10 PHE N N 3.502 0.693 -2.492 1.00 . A A . 10 PHE N 1 1 6 1707 1 1 10 PHE O O 6.860 1.030 -1.727 1.00 . A A . 10 PHE O 1 1 6 1708 1 1 11 ILE C C 6.447 -0.391 0.910 1.00 . A A . 11 ILE C 1 1 6 1709 1 1 11 ILE CA C 5.854 1.003 0.879 1.00 . A A . 11 ILE CA 1 1 6 1710 1 1 11 ILE CB C 4.979 1.256 2.133 1.00 . A A . 11 ILE CB 1 1 6 1711 1 1 11 ILE CD1 C 4.783 3.602 1.201 1.00 . A A . 11 ILE CD1 1 1 6 1712 1 1 11 ILE CG1 C 4.920 2.753 2.436 1.00 . A A . 11 ILE CG1 1 1 6 1713 1 1 11 ILE CG2 C 5.524 0.511 3.333 1.00 . A A . 11 ILE CG2 1 1 6 1714 1 1 11 ILE H H 4.128 1.373 -0.290 1.00 . A A . 11 ILE H 1 1 6 1715 1 1 11 ILE HA H 6.663 1.713 0.899 1.00 . A A . 11 ILE HA 1 1 6 1716 1 1 11 ILE HB H 3.983 0.896 1.931 1.00 . A A . 11 ILE HB 1 1 6 1717 1 1 11 ILE HD11 H 3.824 3.405 0.740 1.00 . A A . 11 ILE HD11 1 1 6 1718 1 1 11 ILE HD12 H 5.575 3.334 0.504 1.00 . A A . 11 ILE HD12 1 1 6 1719 1 1 11 ILE HD13 H 4.860 4.645 1.460 1.00 . A A . 11 ILE HD13 1 1 6 1720 1 1 11 ILE HG12 H 4.072 2.953 3.072 1.00 . A A . 11 ILE HG12 1 1 6 1721 1 1 11 ILE HG13 H 5.826 3.049 2.945 1.00 . A A . 11 ILE HG13 1 1 6 1722 1 1 11 ILE HG21 H 6.565 0.766 3.458 1.00 . A A . 11 ILE HG21 1 1 6 1723 1 1 11 ILE HG22 H 5.429 -0.553 3.170 1.00 . A A . 11 ILE HG22 1 1 6 1724 1 1 11 ILE HG23 H 4.971 0.794 4.216 1.00 . A A . 11 ILE HG23 1 1 6 1725 1 1 11 ILE N N 5.096 1.215 -0.351 1.00 . A A . 11 ILE N 1 1 6 1726 1 1 11 ILE O O 7.590 -0.575 1.326 1.00 . A A . 11 ILE O 1 1 6 1727 1 1 12 LYS C C 7.390 -2.843 -0.523 1.00 . A A . 12 LYS C 1 1 6 1728 1 1 12 LYS CA C 6.162 -2.738 0.374 1.00 . A A . 12 LYS CA 1 1 6 1729 1 1 12 LYS CB C 5.061 -3.680 -0.117 1.00 . A A . 12 LYS CB 1 1 6 1730 1 1 12 LYS CD C 2.840 -4.764 0.335 1.00 . A A . 12 LYS CD 1 1 6 1731 1 1 12 LYS CE C 1.731 -4.972 1.352 1.00 . A A . 12 LYS CE 1 1 6 1732 1 1 12 LYS CG C 3.931 -3.861 0.882 1.00 . A A . 12 LYS CG 1 1 6 1733 1 1 12 LYS H H 4.790 -1.136 0.067 1.00 . A A . 12 LYS H 1 1 6 1734 1 1 12 LYS HA H 6.444 -3.021 1.378 1.00 . A A . 12 LYS HA 1 1 6 1735 1 1 12 LYS HB2 H 4.644 -3.283 -1.032 1.00 . A A . 12 LYS HB2 1 1 6 1736 1 1 12 LYS HB3 H 5.494 -4.649 -0.319 1.00 . A A . 12 LYS HB3 1 1 6 1737 1 1 12 LYS HD2 H 2.421 -4.312 -0.550 1.00 . A A . 12 LYS HD2 1 1 6 1738 1 1 12 LYS HD3 H 3.271 -5.723 0.084 1.00 . A A . 12 LYS HD3 1 1 6 1739 1 1 12 LYS HE2 H 2.145 -5.454 2.224 1.00 . A A . 12 LYS HE2 1 1 6 1740 1 1 12 LYS HE3 H 1.330 -4.008 1.630 1.00 . A A . 12 LYS HE3 1 1 6 1741 1 1 12 LYS HG2 H 4.330 -4.300 1.785 1.00 . A A . 12 LYS HG2 1 1 6 1742 1 1 12 LYS HG3 H 3.506 -2.893 1.108 1.00 . A A . 12 LYS HG3 1 1 6 1743 1 1 12 LYS HZ1 H -0.121 -5.914 1.516 1.00 . A A . 12 LYS HZ1 1 1 6 1744 1 1 12 LYS HZ2 H 0.993 -6.758 0.568 1.00 . A A . 12 LYS HZ2 1 1 6 1745 1 1 12 LYS HZ3 H 0.237 -5.376 -0.046 1.00 . A A . 12 LYS HZ3 1 1 6 1746 1 1 12 LYS N N 5.688 -1.360 0.420 1.00 . A A . 12 LYS N 1 1 6 1747 1 1 12 LYS NZ N 0.635 -5.813 0.811 1.00 . A A . 12 LYS NZ 1 1 6 1748 1 1 12 LYS O O 8.230 -3.724 -0.344 1.00 . A A . 12 LYS O 1 1 6 1749 1 1 13 GLY C C 9.698 -0.932 -1.844 1.00 . A A . 13 GLY C 1 1 6 1750 1 1 13 GLY CA C 8.631 -1.883 -2.358 1.00 . A A . 13 GLY CA 1 1 6 1751 1 1 13 GLY H H 6.740 -1.305 -1.619 1.00 . A A . 13 GLY H 1 1 6 1752 1 1 13 GLY HA2 H 9.058 -2.872 -2.439 1.00 . A A . 13 GLY HA2 1 1 6 1753 1 1 13 GLY HA3 H 8.315 -1.555 -3.340 1.00 . A A . 13 GLY HA3 1 1 6 1754 1 1 13 GLY N N 7.475 -1.943 -1.493 1.00 . A A . 13 GLY N 1 1 6 1755 1 1 13 GLY O O 10.885 -1.124 -2.100 1.00 . A A . 13 GLY O 1 1 6 1756 1 1 14 PHE C C 11.030 0.665 0.508 1.00 . A A . 14 PHE C 1 1 6 1757 1 1 14 PHE CA C 10.171 1.134 -0.659 1.00 . A A . 14 PHE CA 1 1 6 1758 1 1 14 PHE CB C 9.306 2.329 -0.289 1.00 . A A . 14 PHE CB 1 1 6 1759 1 1 14 PHE CD1 C 9.224 3.344 1.952 1.00 . A A . 14 PHE CD1 1 1 6 1760 1 1 14 PHE CD2 C 11.010 3.976 0.517 1.00 . A A . 14 PHE CD2 1 1 6 1761 1 1 14 PHE CE1 C 9.706 4.181 2.936 1.00 . A A . 14 PHE CE1 1 1 6 1762 1 1 14 PHE CE2 C 11.507 4.816 1.492 1.00 . A A . 14 PHE CE2 1 1 6 1763 1 1 14 PHE CG C 9.867 3.237 0.745 1.00 . A A . 14 PHE CG 1 1 6 1764 1 1 14 PHE CZ C 10.854 4.920 2.707 1.00 . A A . 14 PHE CZ 1 1 6 1765 1 1 14 PHE H H 8.320 0.175 -0.865 1.00 . A A . 14 PHE H 1 1 6 1766 1 1 14 PHE HA H 10.812 1.408 -1.481 1.00 . A A . 14 PHE HA 1 1 6 1767 1 1 14 PHE HB2 H 9.131 2.905 -1.165 1.00 . A A . 14 PHE HB2 1 1 6 1768 1 1 14 PHE HB3 H 8.358 1.962 0.077 1.00 . A A . 14 PHE HB3 1 1 6 1769 1 1 14 PHE HD1 H 8.327 2.752 2.115 1.00 . A A . 14 PHE HD1 1 1 6 1770 1 1 14 PHE HD2 H 11.515 3.888 -0.433 1.00 . A A . 14 PHE HD2 1 1 6 1771 1 1 14 PHE HE1 H 9.193 4.259 3.883 1.00 . A A . 14 PHE HE1 1 1 6 1772 1 1 14 PHE HE2 H 12.402 5.391 1.307 1.00 . A A . 14 PHE HE2 1 1 6 1773 1 1 14 PHE HZ H 11.237 5.578 3.473 1.00 . A A . 14 PHE HZ 1 1 6 1774 1 1 14 PHE N N 9.278 0.096 -1.112 1.00 . A A . 14 PHE N 1 1 6 1775 1 1 14 PHE O O 12.254 0.789 0.479 1.00 . A A . 14 PHE O 1 1 6 1776 1 1 15 ILE C C 11.687 -1.758 2.474 1.00 . A A . 15 ILE C 1 1 6 1777 1 1 15 ILE CA C 11.107 -0.364 2.707 1.00 . A A . 15 ILE CA 1 1 6 1778 1 1 15 ILE CB C 10.223 -0.408 3.974 1.00 . A A . 15 ILE CB 1 1 6 1779 1 1 15 ILE CD1 C 8.192 -1.521 5.021 1.00 . A A . 15 ILE CD1 1 1 6 1780 1 1 15 ILE CG1 C 9.059 -1.380 3.792 1.00 . A A . 15 ILE CG1 1 1 6 1781 1 1 15 ILE CG2 C 9.715 0.983 4.322 1.00 . A A . 15 ILE CG2 1 1 6 1782 1 1 15 ILE H H 9.404 0.079 1.493 1.00 . A A . 15 ILE H 1 1 6 1783 1 1 15 ILE HA H 11.924 0.316 2.896 1.00 . A A . 15 ILE HA 1 1 6 1784 1 1 15 ILE HB H 10.835 -0.750 4.794 1.00 . A A . 15 ILE HB 1 1 6 1785 1 1 15 ILE HD11 H 7.391 -2.214 4.817 1.00 . A A . 15 ILE HD11 1 1 6 1786 1 1 15 ILE HD12 H 7.778 -0.558 5.281 1.00 . A A . 15 ILE HD12 1 1 6 1787 1 1 15 ILE HD13 H 8.788 -1.890 5.841 1.00 . A A . 15 ILE HD13 1 1 6 1788 1 1 15 ILE HG12 H 8.432 -1.036 2.983 1.00 . A A . 15 ILE HG12 1 1 6 1789 1 1 15 ILE HG13 H 9.450 -2.358 3.548 1.00 . A A . 15 ILE HG13 1 1 6 1790 1 1 15 ILE HG21 H 10.555 1.638 4.504 1.00 . A A . 15 ILE HG21 1 1 6 1791 1 1 15 ILE HG22 H 9.100 0.931 5.210 1.00 . A A . 15 ILE HG22 1 1 6 1792 1 1 15 ILE HG23 H 9.129 1.367 3.501 1.00 . A A . 15 ILE HG23 1 1 6 1793 1 1 15 ILE N N 10.387 0.128 1.528 1.00 . A A . 15 ILE N 1 1 6 1794 1 1 15 ILE O O 12.452 -2.266 3.295 1.00 . A A . 15 ILE O 1 1 6 1795 1 1 16 SER C C 12.068 -3.869 -0.430 1.00 . A A . 16 SER C 1 1 6 1796 1 1 16 SER CA C 11.786 -3.722 1.063 1.00 . A A . 16 SER CA 1 1 6 1797 1 1 16 SER CB C 10.745 -4.747 1.521 1.00 . A A . 16 SER CB 1 1 6 1798 1 1 16 SER H H 10.730 -1.925 0.732 1.00 . A A . 16 SER H 1 1 6 1799 1 1 16 SER HA H 12.703 -3.884 1.608 1.00 . A A . 16 SER HA 1 1 6 1800 1 1 16 SER HB2 H 9.834 -4.604 0.959 1.00 . A A . 16 SER HB2 1 1 6 1801 1 1 16 SER HB3 H 11.122 -5.744 1.350 1.00 . A A . 16 SER HB3 1 1 6 1802 1 1 16 SER HG H 11.139 -4.049 3.312 1.00 . A A . 16 SER HG 1 1 6 1803 1 1 16 SER N N 11.321 -2.379 1.365 1.00 . A A . 16 SER N 1 1 6 1804 1 1 16 SER O O 11.159 -4.293 -1.172 1.00 . A A . 16 SER O 1 1 6 1805 1 1 16 SER OXT O 13.198 -3.543 -0.858 1.00 . A A . 16 SER OXT 1 1 6 1806 1 1 16 SER OG O 10.456 -4.599 2.905 1.00 . A A . 16 SER OG 1 1 7 1807 1 1 1 LYS C C -9.898 -0.838 -2.581 1.00 . A A . 1 LYS C 1 1 7 1808 1 1 1 LYS CA C -11.267 -0.700 -3.228 1.00 . A A . 1 LYS CA 1 1 7 1809 1 1 1 LYS CB C -12.136 -1.905 -2.860 1.00 . A A . 1 LYS CB 1 1 7 1810 1 1 1 LYS CD C -14.400 -2.983 -2.864 1.00 . A A . 1 LYS CD 1 1 7 1811 1 1 1 LYS CE C -15.888 -2.787 -3.100 1.00 . A A . 1 LYS CE 1 1 7 1812 1 1 1 LYS CG C -13.609 -1.727 -3.187 1.00 . A A . 1 LYS CG 1 1 7 1813 1 1 1 LYS H1 H -10.602 0.277 -4.939 1.00 . A A . 1 LYS H1 1 1 7 1814 1 1 1 LYS H2 H -12.074 -0.531 -5.140 1.00 . A A . 1 LYS H2 1 1 7 1815 1 1 1 LYS H3 H -10.631 -1.408 -5.076 1.00 . A A . 1 LYS H3 1 1 7 1816 1 1 1 LYS HA H -11.737 0.200 -2.857 1.00 . A A . 1 LYS HA 1 1 7 1817 1 1 1 LYS HB2 H -11.773 -2.769 -3.395 1.00 . A A . 1 LYS HB2 1 1 7 1818 1 1 1 LYS HB3 H -12.045 -2.087 -1.800 1.00 . A A . 1 LYS HB3 1 1 7 1819 1 1 1 LYS HD2 H -14.051 -3.788 -3.493 1.00 . A A . 1 LYS HD2 1 1 7 1820 1 1 1 LYS HD3 H -14.240 -3.239 -1.827 1.00 . A A . 1 LYS HD3 1 1 7 1821 1 1 1 LYS HE2 H -16.405 -3.693 -2.820 1.00 . A A . 1 LYS HE2 1 1 7 1822 1 1 1 LYS HE3 H -16.232 -1.974 -2.476 1.00 . A A . 1 LYS HE3 1 1 7 1823 1 1 1 LYS HG2 H -14.001 -0.906 -2.607 1.00 . A A . 1 LYS HG2 1 1 7 1824 1 1 1 LYS HG3 H -13.711 -1.508 -4.238 1.00 . A A . 1 LYS HG3 1 1 7 1825 1 1 1 LYS HZ1 H -15.849 -3.228 -5.142 1.00 . A A . 1 LYS HZ1 1 1 7 1826 1 1 1 LYS HZ2 H -15.759 -1.576 -4.797 1.00 . A A . 1 LYS HZ2 1 1 7 1827 1 1 1 LYS HZ3 H -17.232 -2.391 -4.647 1.00 . A A . 1 LYS HZ3 1 1 7 1828 1 1 1 LYS N N -11.136 -0.583 -4.696 1.00 . A A . 1 LYS N 1 1 7 1829 1 1 1 LYS NZ N -16.203 -2.473 -4.520 1.00 . A A . 1 LYS NZ 1 1 7 1830 1 1 1 LYS O O -9.003 -1.468 -3.145 1.00 . A A . 1 LYS O 1 1 7 1831 1 1 2 TRP C C -7.314 0.167 -1.414 1.00 . A A . 2 TRP C 1 1 7 1832 1 1 2 TRP CA C -8.515 -0.321 -0.617 1.00 . A A . 2 TRP CA 1 1 7 1833 1 1 2 TRP CB C -8.281 -1.757 -0.128 1.00 . A A . 2 TRP CB 1 1 7 1834 1 1 2 TRP CD1 C -9.947 -1.921 1.815 1.00 . A A . 2 TRP CD1 1 1 7 1835 1 1 2 TRP CD2 C -10.270 -3.434 0.196 1.00 . A A . 2 TRP CD2 1 1 7 1836 1 1 2 TRP CE2 C -11.245 -3.629 1.192 1.00 . A A . 2 TRP CE2 1 1 7 1837 1 1 2 TRP CE3 C -10.275 -4.273 -0.923 1.00 . A A . 2 TRP CE3 1 1 7 1838 1 1 2 TRP CG C -9.452 -2.333 0.611 1.00 . A A . 2 TRP CG 1 1 7 1839 1 1 2 TRP CH2 C -12.192 -5.426 -0.002 1.00 . A A . 2 TRP CH2 1 1 7 1840 1 1 2 TRP CZ2 C -12.212 -4.627 1.097 1.00 . A A . 2 TRP CZ2 1 1 7 1841 1 1 2 TRP CZ3 C -11.238 -5.261 -1.008 1.00 . A A . 2 TRP CZ3 1 1 7 1842 1 1 2 TRP H H -10.498 0.283 -1.042 1.00 . A A . 2 TRP H 1 1 7 1843 1 1 2 TRP HA H -8.632 0.320 0.242 1.00 . A A . 2 TRP HA 1 1 7 1844 1 1 2 TRP HB2 H -8.082 -2.391 -0.978 1.00 . A A . 2 TRP HB2 1 1 7 1845 1 1 2 TRP HB3 H -7.427 -1.770 0.534 1.00 . A A . 2 TRP HB3 1 1 7 1846 1 1 2 TRP HD1 H -9.541 -1.104 2.393 1.00 . A A . 2 TRP HD1 1 1 7 1847 1 1 2 TRP HE1 H -11.556 -2.591 2.992 1.00 . A A . 2 TRP HE1 1 1 7 1848 1 1 2 TRP HE3 H -9.545 -4.160 -1.711 1.00 . A A . 2 TRP HE3 1 1 7 1849 1 1 2 TRP HH2 H -12.925 -6.204 -0.105 1.00 . A A . 2 TRP HH2 1 1 7 1850 1 1 2 TRP HZ2 H -12.959 -4.779 1.853 1.00 . A A . 2 TRP HZ2 1 1 7 1851 1 1 2 TRP HZ3 H -11.262 -5.918 -1.864 1.00 . A A . 2 TRP HZ3 1 1 7 1852 1 1 2 TRP N N -9.748 -0.238 -1.402 1.00 . A A . 2 TRP N 1 1 7 1853 1 1 2 TRP NE1 N -11.027 -2.694 2.169 1.00 . A A . 2 TRP NE1 1 1 7 1854 1 1 2 TRP O O -6.228 -0.408 -1.340 1.00 . A A . 2 TRP O 1 1 7 1855 1 1 3 ALA C C -5.414 2.526 -2.111 1.00 . A A . 3 ALA C 1 1 7 1856 1 1 3 ALA CA C -6.437 1.803 -2.976 1.00 . A A . 3 ALA CA 1 1 7 1857 1 1 3 ALA CB C -6.986 2.727 -4.048 1.00 . A A . 3 ALA CB 1 1 7 1858 1 1 3 ALA H H -8.388 1.677 -2.168 1.00 . A A . 3 ALA H 1 1 7 1859 1 1 3 ALA HA H -5.946 0.981 -3.471 1.00 . A A . 3 ALA HA 1 1 7 1860 1 1 3 ALA HB1 H -7.310 3.653 -3.597 1.00 . A A . 3 ALA HB1 1 1 7 1861 1 1 3 ALA HB2 H -7.823 2.251 -4.537 1.00 . A A . 3 ALA HB2 1 1 7 1862 1 1 3 ALA HB3 H -6.212 2.926 -4.774 1.00 . A A . 3 ALA HB3 1 1 7 1863 1 1 3 ALA N N -7.506 1.247 -2.162 1.00 . A A . 3 ALA N 1 1 7 1864 1 1 3 ALA O O -4.324 2.854 -2.569 1.00 . A A . 3 ALA O 1 1 7 1865 1 1 4 VAL C C -3.721 2.303 0.357 1.00 . A A . 4 VAL C 1 1 7 1866 1 1 4 VAL CA C -4.822 3.324 0.090 1.00 . A A . 4 VAL CA 1 1 7 1867 1 1 4 VAL CB C -5.519 3.704 1.409 1.00 . A A . 4 VAL CB 1 1 7 1868 1 1 4 VAL CG1 C -4.564 4.425 2.319 1.00 . A A . 4 VAL CG1 1 1 7 1869 1 1 4 VAL CG2 C -6.740 4.564 1.152 1.00 . A A . 4 VAL CG2 1 1 7 1870 1 1 4 VAL H H -6.673 2.591 -0.556 1.00 . A A . 4 VAL H 1 1 7 1871 1 1 4 VAL HA H -4.387 4.214 -0.344 1.00 . A A . 4 VAL HA 1 1 7 1872 1 1 4 VAL HB H -5.837 2.797 1.900 1.00 . A A . 4 VAL HB 1 1 7 1873 1 1 4 VAL HG11 H -3.761 3.761 2.595 1.00 . A A . 4 VAL HG11 1 1 7 1874 1 1 4 VAL HG12 H -5.093 4.750 3.200 1.00 . A A . 4 VAL HG12 1 1 7 1875 1 1 4 VAL HG13 H -4.165 5.281 1.799 1.00 . A A . 4 VAL HG13 1 1 7 1876 1 1 4 VAL HG21 H -6.449 5.441 0.596 1.00 . A A . 4 VAL HG21 1 1 7 1877 1 1 4 VAL HG22 H -7.164 4.865 2.099 1.00 . A A . 4 VAL HG22 1 1 7 1878 1 1 4 VAL HG23 H -7.470 4.002 0.590 1.00 . A A . 4 VAL HG23 1 1 7 1879 1 1 4 VAL N N -5.763 2.774 -0.855 1.00 . A A . 4 VAL N 1 1 7 1880 1 1 4 VAL O O -2.556 2.653 0.567 1.00 . A A . 4 VAL O 1 1 7 1881 1 1 5 ARG C C -2.227 -0.118 -0.794 1.00 . A A . 5 ARG C 1 1 7 1882 1 1 5 ARG CA C -3.143 -0.067 0.426 1.00 . A A . 5 ARG CA 1 1 7 1883 1 1 5 ARG CB C -3.866 -1.406 0.594 1.00 . A A . 5 ARG CB 1 1 7 1884 1 1 5 ARG CD C -3.707 -1.504 3.102 1.00 . A A . 5 ARG CD 1 1 7 1885 1 1 5 ARG CG C -4.637 -1.527 1.898 1.00 . A A . 5 ARG CG 1 1 7 1886 1 1 5 ARG CZ C -3.875 -1.639 5.562 1.00 . A A . 5 ARG CZ 1 1 7 1887 1 1 5 ARG H H -5.055 0.815 0.178 1.00 . A A . 5 ARG H 1 1 7 1888 1 1 5 ARG HA H -2.541 0.120 1.304 1.00 . A A . 5 ARG HA 1 1 7 1889 1 1 5 ARG HB2 H -4.563 -1.529 -0.223 1.00 . A A . 5 ARG HB2 1 1 7 1890 1 1 5 ARG HB3 H -3.137 -2.202 0.557 1.00 . A A . 5 ARG HB3 1 1 7 1891 1 1 5 ARG HD2 H -2.996 -2.311 3.009 1.00 . A A . 5 ARG HD2 1 1 7 1892 1 1 5 ARG HD3 H -3.182 -0.561 3.118 1.00 . A A . 5 ARG HD3 1 1 7 1893 1 1 5 ARG HE H -5.415 -1.777 4.293 1.00 . A A . 5 ARG HE 1 1 7 1894 1 1 5 ARG HG2 H -5.327 -0.702 1.974 1.00 . A A . 5 ARG HG2 1 1 7 1895 1 1 5 ARG HG3 H -5.185 -2.458 1.894 1.00 . A A . 5 ARG HG3 1 1 7 1896 1 1 5 ARG HH11 H -1.983 -1.410 4.868 1.00 . A A . 5 ARG HH11 1 1 7 1897 1 1 5 ARG HH12 H -2.138 -1.477 6.593 1.00 . A A . 5 ARG HH12 1 1 7 1898 1 1 5 ARG HH21 H -5.618 -1.871 6.570 1.00 . A A . 5 ARG HH21 1 1 7 1899 1 1 5 ARG HH22 H -4.193 -1.760 7.557 1.00 . A A . 5 ARG HH22 1 1 7 1900 1 1 5 ARG N N -4.099 1.027 0.303 1.00 . A A . 5 ARG N 1 1 7 1901 1 1 5 ARG NE N -4.441 -1.659 4.356 1.00 . A A . 5 ARG NE 1 1 7 1902 1 1 5 ARG NH1 N -2.560 -1.499 5.683 1.00 . A A . 5 ARG NH1 1 1 7 1903 1 1 5 ARG NH2 N -4.623 -1.765 6.649 1.00 . A A . 5 ARG NH2 1 1 7 1904 1 1 5 ARG O O -1.166 -0.735 -0.757 1.00 . A A . 5 ARG O 1 1 7 1905 1 1 6 ILE C C -0.693 1.598 -2.860 1.00 . A A . 6 ILE C 1 1 7 1906 1 1 6 ILE CA C -1.851 0.626 -3.092 1.00 . A A . 6 ILE CA 1 1 7 1907 1 1 6 ILE CB C -2.713 1.094 -4.298 1.00 . A A . 6 ILE CB 1 1 7 1908 1 1 6 ILE CD1 C -4.191 -0.984 -3.885 1.00 . A A . 6 ILE CD1 1 1 7 1909 1 1 6 ILE CG1 C -3.550 -0.053 -4.894 1.00 . A A . 6 ILE CG1 1 1 7 1910 1 1 6 ILE CG2 C -1.838 1.703 -5.386 1.00 . A A . 6 ILE CG2 1 1 7 1911 1 1 6 ILE H H -3.535 0.952 -1.854 1.00 . A A . 6 ILE H 1 1 7 1912 1 1 6 ILE HA H -1.448 -0.358 -3.312 1.00 . A A . 6 ILE HA 1 1 7 1913 1 1 6 ILE HB H -3.382 1.865 -3.946 1.00 . A A . 6 ILE HB 1 1 7 1914 1 1 6 ILE HD11 H -3.424 -1.566 -3.395 1.00 . A A . 6 ILE HD11 1 1 7 1915 1 1 6 ILE HD12 H -4.879 -1.645 -4.389 1.00 . A A . 6 ILE HD12 1 1 7 1916 1 1 6 ILE HD13 H -4.724 -0.405 -3.147 1.00 . A A . 6 ILE HD13 1 1 7 1917 1 1 6 ILE HG12 H -4.350 0.378 -5.480 1.00 . A A . 6 ILE HG12 1 1 7 1918 1 1 6 ILE HG13 H -2.920 -0.647 -5.540 1.00 . A A . 6 ILE HG13 1 1 7 1919 1 1 6 ILE HG21 H -1.298 2.546 -4.982 1.00 . A A . 6 ILE HG21 1 1 7 1920 1 1 6 ILE HG22 H -2.458 2.029 -6.207 1.00 . A A . 6 ILE HG22 1 1 7 1921 1 1 6 ILE HG23 H -1.135 0.962 -5.737 1.00 . A A . 6 ILE HG23 1 1 7 1922 1 1 6 ILE N N -2.653 0.526 -1.874 1.00 . A A . 6 ILE N 1 1 7 1923 1 1 6 ILE O O 0.426 1.379 -3.321 1.00 . A A . 6 ILE O 1 1 7 1924 1 1 7 ILE C C 1.036 2.837 -0.764 1.00 . A A . 7 ILE C 1 1 7 1925 1 1 7 ILE CA C 0.088 3.580 -1.695 1.00 . A A . 7 ILE CA 1 1 7 1926 1 1 7 ILE CB C -0.479 4.842 -0.985 1.00 . A A . 7 ILE CB 1 1 7 1927 1 1 7 ILE CD1 C -2.348 5.331 -2.673 1.00 . A A . 7 ILE CD1 1 1 7 1928 1 1 7 ILE CG1 C -1.085 5.821 -2.001 1.00 . A A . 7 ILE CG1 1 1 7 1929 1 1 7 ILE CG2 C 0.601 5.545 -0.171 1.00 . A A . 7 ILE CG2 1 1 7 1930 1 1 7 ILE H H -1.895 2.847 -1.863 1.00 . A A . 7 ILE H 1 1 7 1931 1 1 7 ILE HA H 0.641 3.894 -2.572 1.00 . A A . 7 ILE HA 1 1 7 1932 1 1 7 ILE HB H -1.253 4.522 -0.302 1.00 . A A . 7 ILE HB 1 1 7 1933 1 1 7 ILE HD11 H -2.702 6.080 -3.366 1.00 . A A . 7 ILE HD11 1 1 7 1934 1 1 7 ILE HD12 H -3.105 5.143 -1.926 1.00 . A A . 7 ILE HD12 1 1 7 1935 1 1 7 ILE HD13 H -2.138 4.417 -3.210 1.00 . A A . 7 ILE HD13 1 1 7 1936 1 1 7 ILE HG12 H -1.321 6.744 -1.497 1.00 . A A . 7 ILE HG12 1 1 7 1937 1 1 7 ILE HG13 H -0.355 6.019 -2.773 1.00 . A A . 7 ILE HG13 1 1 7 1938 1 1 7 ILE HG21 H 1.408 5.843 -0.824 1.00 . A A . 7 ILE HG21 1 1 7 1939 1 1 7 ILE HG22 H 0.978 4.872 0.585 1.00 . A A . 7 ILE HG22 1 1 7 1940 1 1 7 ILE HG23 H 0.182 6.420 0.304 1.00 . A A . 7 ILE HG23 1 1 7 1941 1 1 7 ILE N N -0.965 2.668 -2.123 1.00 . A A . 7 ILE N 1 1 7 1942 1 1 7 ILE O O 2.255 2.954 -0.870 1.00 . A A . 7 ILE O 1 1 7 1943 1 1 8 ARG C C 1.984 0.121 0.223 1.00 . A A . 8 ARG C 1 1 7 1944 1 1 8 ARG CA C 1.240 1.189 1.015 1.00 . A A . 8 ARG CA 1 1 7 1945 1 1 8 ARG CB C 0.336 0.535 2.058 1.00 . A A . 8 ARG CB 1 1 7 1946 1 1 8 ARG CD C 0.615 2.363 3.758 1.00 . A A . 8 ARG CD 1 1 7 1947 1 1 8 ARG CG C -0.374 1.533 2.955 1.00 . A A . 8 ARG CG 1 1 7 1948 1 1 8 ARG CZ C 0.568 4.487 5.013 1.00 . A A . 8 ARG CZ 1 1 7 1949 1 1 8 ARG H H -0.520 2.014 0.178 1.00 . A A . 8 ARG H 1 1 7 1950 1 1 8 ARG HA H 1.964 1.814 1.516 1.00 . A A . 8 ARG HA 1 1 7 1951 1 1 8 ARG HB2 H -0.411 -0.056 1.551 1.00 . A A . 8 ARG HB2 1 1 7 1952 1 1 8 ARG HB3 H 0.934 -0.113 2.680 1.00 . A A . 8 ARG HB3 1 1 7 1953 1 1 8 ARG HD2 H 1.143 1.712 4.438 1.00 . A A . 8 ARG HD2 1 1 7 1954 1 1 8 ARG HD3 H 1.319 2.820 3.078 1.00 . A A . 8 ARG HD3 1 1 7 1955 1 1 8 ARG HE H -1.023 3.312 4.673 1.00 . A A . 8 ARG HE 1 1 7 1956 1 1 8 ARG HG2 H -0.968 2.195 2.341 1.00 . A A . 8 ARG HG2 1 1 7 1957 1 1 8 ARG HG3 H -1.016 0.996 3.635 1.00 . A A . 8 ARG HG3 1 1 7 1958 1 1 8 ARG HH11 H 2.410 3.937 4.371 1.00 . A A . 8 ARG HH11 1 1 7 1959 1 1 8 ARG HH12 H 2.346 5.442 5.227 1.00 . A A . 8 ARG HH12 1 1 7 1960 1 1 8 ARG HH21 H -1.116 5.306 5.793 1.00 . A A . 8 ARG HH21 1 1 7 1961 1 1 8 ARG HH22 H 0.337 6.218 6.040 1.00 . A A . 8 ARG HH22 1 1 7 1962 1 1 8 ARG N N 0.459 2.035 0.121 1.00 . A A . 8 ARG N 1 1 7 1963 1 1 8 ARG NE N -0.051 3.413 4.525 1.00 . A A . 8 ARG NE 1 1 7 1964 1 1 8 ARG NH1 N 1.879 4.633 4.856 1.00 . A A . 8 ARG NH1 1 1 7 1965 1 1 8 ARG NH2 N -0.125 5.410 5.666 1.00 . A A . 8 ARG NH2 1 1 7 1966 1 1 8 ARG O O 2.986 -0.412 0.683 1.00 . A A . 8 ARG O 1 1 7 1967 1 1 9 LYS C C 3.446 -0.553 -2.358 1.00 . A A . 9 LYS C 1 1 7 1968 1 1 9 LYS CA C 2.130 -1.126 -1.866 1.00 . A A . 9 LYS CA 1 1 7 1969 1 1 9 LYS CB C 1.227 -1.429 -3.055 1.00 . A A . 9 LYS CB 1 1 7 1970 1 1 9 LYS CD C 1.561 -3.897 -2.977 1.00 . A A . 9 LYS CD 1 1 7 1971 1 1 9 LYS CE C 1.924 -5.139 -3.768 1.00 . A A . 9 LYS CE 1 1 7 1972 1 1 9 LYS CG C 1.650 -2.652 -3.831 1.00 . A A . 9 LYS CG 1 1 7 1973 1 1 9 LYS H H 0.649 0.250 -1.256 1.00 . A A . 9 LYS H 1 1 7 1974 1 1 9 LYS HA H 2.316 -2.037 -1.327 1.00 . A A . 9 LYS HA 1 1 7 1975 1 1 9 LYS HB2 H 0.219 -1.582 -2.699 1.00 . A A . 9 LYS HB2 1 1 7 1976 1 1 9 LYS HB3 H 1.241 -0.580 -3.726 1.00 . A A . 9 LYS HB3 1 1 7 1977 1 1 9 LYS HD2 H 2.244 -3.799 -2.144 1.00 . A A . 9 LYS HD2 1 1 7 1978 1 1 9 LYS HD3 H 0.549 -3.992 -2.608 1.00 . A A . 9 LYS HD3 1 1 7 1979 1 1 9 LYS HE2 H 1.243 -5.231 -4.601 1.00 . A A . 9 LYS HE2 1 1 7 1980 1 1 9 LYS HE3 H 2.931 -5.030 -4.139 1.00 . A A . 9 LYS HE3 1 1 7 1981 1 1 9 LYS HG2 H 1.003 -2.764 -4.677 1.00 . A A . 9 LYS HG2 1 1 7 1982 1 1 9 LYS HG3 H 2.669 -2.525 -4.166 1.00 . A A . 9 LYS HG3 1 1 7 1983 1 1 9 LYS HZ1 H 0.867 -6.518 -2.613 1.00 . A A . 9 LYS HZ1 1 1 7 1984 1 1 9 LYS HZ2 H 2.463 -6.285 -2.113 1.00 . A A . 9 LYS HZ2 1 1 7 1985 1 1 9 LYS HZ3 H 2.142 -7.194 -3.497 1.00 . A A . 9 LYS HZ3 1 1 7 1986 1 1 9 LYS N N 1.485 -0.178 -0.970 1.00 . A A . 9 LYS N 1 1 7 1987 1 1 9 LYS NZ N 1.843 -6.368 -2.941 1.00 . A A . 9 LYS NZ 1 1 7 1988 1 1 9 LYS O O 4.441 -1.263 -2.496 1.00 . A A . 9 LYS O 1 1 7 1989 1 1 10 PHE C C 5.638 1.468 -1.887 1.00 . A A . 10 PHE C 1 1 7 1990 1 1 10 PHE CA C 4.635 1.461 -3.030 1.00 . A A . 10 PHE CA 1 1 7 1991 1 1 10 PHE CB C 4.277 2.895 -3.422 1.00 . A A . 10 PHE CB 1 1 7 1992 1 1 10 PHE CD1 C 3.033 1.940 -5.388 1.00 . A A . 10 PHE CD1 1 1 7 1993 1 1 10 PHE CD2 C 2.502 4.148 -4.664 1.00 . A A . 10 PHE CD2 1 1 7 1994 1 1 10 PHE CE1 C 2.092 2.038 -6.395 1.00 . A A . 10 PHE CE1 1 1 7 1995 1 1 10 PHE CE2 C 1.557 4.253 -5.667 1.00 . A A . 10 PHE CE2 1 1 7 1996 1 1 10 PHE CG C 3.247 2.993 -4.513 1.00 . A A . 10 PHE CG 1 1 7 1997 1 1 10 PHE CZ C 1.353 3.198 -6.534 1.00 . A A . 10 PHE CZ 1 1 7 1998 1 1 10 PHE H H 2.592 1.240 -2.537 1.00 . A A . 10 PHE H 1 1 7 1999 1 1 10 PHE HA H 5.065 0.950 -3.877 1.00 . A A . 10 PHE HA 1 1 7 2000 1 1 10 PHE HB2 H 3.883 3.406 -2.555 1.00 . A A . 10 PHE HB2 1 1 7 2001 1 1 10 PHE HB3 H 5.171 3.402 -3.757 1.00 . A A . 10 PHE HB3 1 1 7 2002 1 1 10 PHE HD1 H 3.606 1.032 -5.269 1.00 . A A . 10 PHE HD1 1 1 7 2003 1 1 10 PHE HD2 H 2.661 4.969 -3.984 1.00 . A A . 10 PHE HD2 1 1 7 2004 1 1 10 PHE HE1 H 1.933 1.212 -7.072 1.00 . A A . 10 PHE HE1 1 1 7 2005 1 1 10 PHE HE2 H 0.983 5.160 -5.775 1.00 . A A . 10 PHE HE2 1 1 7 2006 1 1 10 PHE HZ H 0.617 3.279 -7.320 1.00 . A A . 10 PHE HZ 1 1 7 2007 1 1 10 PHE N N 3.438 0.745 -2.617 1.00 . A A . 10 PHE N 1 1 7 2008 1 1 10 PHE O O 6.853 1.442 -2.089 1.00 . A A . 10 PHE O 1 1 7 2009 1 1 11 ILE C C 6.401 0.024 0.763 1.00 . A A . 11 ILE C 1 1 7 2010 1 1 11 ILE CA C 5.890 1.438 0.541 1.00 . A A . 11 ILE CA 1 1 7 2011 1 1 11 ILE CB C 5.080 1.940 1.765 1.00 . A A . 11 ILE CB 1 1 7 2012 1 1 11 ILE CD1 C 4.805 4.104 0.440 1.00 . A A . 11 ILE CD1 1 1 7 2013 1 1 11 ILE CG1 C 5.041 3.473 1.791 1.00 . A A . 11 ILE CG1 1 1 7 2014 1 1 11 ILE CG2 C 5.685 1.427 3.057 1.00 . A A . 11 ILE CG2 1 1 7 2015 1 1 11 ILE H H 4.119 1.561 -0.617 1.00 . A A . 11 ILE H 1 1 7 2016 1 1 11 ILE HA H 6.741 2.087 0.414 1.00 . A A . 11 ILE HA 1 1 7 2017 1 1 11 ILE HB H 4.073 1.561 1.687 1.00 . A A . 11 ILE HB 1 1 7 2018 1 1 11 ILE HD11 H 5.537 3.709 -0.261 1.00 . A A . 11 ILE HD11 1 1 7 2019 1 1 11 ILE HD12 H 4.911 5.175 0.514 1.00 . A A . 11 ILE HD12 1 1 7 2020 1 1 11 ILE HD13 H 3.813 3.855 0.097 1.00 . A A . 11 ILE HD13 1 1 7 2021 1 1 11 ILE HG12 H 4.246 3.793 2.446 1.00 . A A . 11 ILE HG12 1 1 7 2022 1 1 11 ILE HG13 H 5.983 3.842 2.169 1.00 . A A . 11 ILE HG13 1 1 7 2023 1 1 11 ILE HG21 H 5.147 1.840 3.894 1.00 . A A . 11 ILE HG21 1 1 7 2024 1 1 11 ILE HG22 H 6.722 1.730 3.102 1.00 . A A . 11 ILE HG22 1 1 7 2025 1 1 11 ILE HG23 H 5.621 0.351 3.080 1.00 . A A . 11 ILE HG23 1 1 7 2026 1 1 11 ILE N N 5.096 1.491 -0.683 1.00 . A A . 11 ILE N 1 1 7 2027 1 1 11 ILE O O 7.480 -0.184 1.315 1.00 . A A . 11 ILE O 1 1 7 2028 1 1 12 LYS C C 7.183 -2.482 -0.797 1.00 . A A . 12 LYS C 1 1 7 2029 1 1 12 LYS CA C 6.091 -2.326 0.257 1.00 . A A . 12 LYS CA 1 1 7 2030 1 1 12 LYS CB C 4.928 -3.281 -0.014 1.00 . A A . 12 LYS CB 1 1 7 2031 1 1 12 LYS CD C 2.787 -4.298 0.835 1.00 . A A . 12 LYS CD 1 1 7 2032 1 1 12 LYS CE C 1.817 -4.373 2.003 1.00 . A A . 12 LYS CE 1 1 7 2033 1 1 12 LYS CG C 3.922 -3.333 1.124 1.00 . A A . 12 LYS CG 1 1 7 2034 1 1 12 LYS H H 4.742 -0.718 -0.068 1.00 . A A . 12 LYS H 1 1 7 2035 1 1 12 LYS HA H 6.510 -2.548 1.226 1.00 . A A . 12 LYS HA 1 1 7 2036 1 1 12 LYS HB2 H 4.414 -2.962 -0.909 1.00 . A A . 12 LYS HB2 1 1 7 2037 1 1 12 LYS HB3 H 5.319 -4.275 -0.168 1.00 . A A . 12 LYS HB3 1 1 7 2038 1 1 12 LYS HD2 H 2.254 -3.963 -0.041 1.00 . A A . 12 LYS HD2 1 1 7 2039 1 1 12 LYS HD3 H 3.199 -5.280 0.656 1.00 . A A . 12 LYS HD3 1 1 7 2040 1 1 12 LYS HE2 H 2.356 -4.696 2.882 1.00 . A A . 12 LYS HE2 1 1 7 2041 1 1 12 LYS HE3 H 1.405 -3.390 2.176 1.00 . A A . 12 LYS HE3 1 1 7 2042 1 1 12 LYS HG2 H 4.427 -3.650 2.023 1.00 . A A . 12 LYS HG2 1 1 7 2043 1 1 12 LYS HG3 H 3.512 -2.345 1.271 1.00 . A A . 12 LYS HG3 1 1 7 2044 1 1 12 LYS HZ1 H 0.170 -5.030 0.905 1.00 . A A . 12 LYS HZ1 1 1 7 2045 1 1 12 LYS HZ2 H 0.060 -5.350 2.559 1.00 . A A . 12 LYS HZ2 1 1 7 2046 1 1 12 LYS HZ3 H 1.080 -6.282 1.586 1.00 . A A . 12 LYS HZ3 1 1 7 2047 1 1 12 LYS N N 5.637 -0.942 0.279 1.00 . A A . 12 LYS N 1 1 7 2048 1 1 12 LYS NZ N 0.707 -5.324 1.745 1.00 . A A . 12 LYS NZ 1 1 7 2049 1 1 12 LYS O O 7.838 -3.519 -0.895 1.00 . A A . 12 LYS O 1 1 7 2050 1 1 13 GLY C C 9.686 -0.739 -1.851 1.00 . A A . 13 GLY C 1 1 7 2051 1 1 13 GLY CA C 8.467 -1.353 -2.510 1.00 . A A . 13 GLY CA 1 1 7 2052 1 1 13 GLY H H 6.712 -0.695 -1.550 1.00 . A A . 13 GLY H 1 1 7 2053 1 1 13 GLY HA2 H 8.713 -2.349 -2.852 1.00 . A A . 13 GLY HA2 1 1 7 2054 1 1 13 GLY HA3 H 8.182 -0.748 -3.358 1.00 . A A . 13 GLY HA3 1 1 7 2055 1 1 13 GLY N N 7.357 -1.430 -1.590 1.00 . A A . 13 GLY N 1 1 7 2056 1 1 13 GLY O O 10.816 -1.113 -2.161 1.00 . A A . 13 GLY O 1 1 7 2057 1 1 14 PHE C C 11.065 -0.240 0.829 1.00 . A A . 14 PHE C 1 1 7 2058 1 1 14 PHE CA C 10.536 0.785 -0.166 1.00 . A A . 14 PHE CA 1 1 7 2059 1 1 14 PHE CB C 10.015 1.991 0.594 1.00 . A A . 14 PHE CB 1 1 7 2060 1 1 14 PHE CD1 C 8.404 3.811 0.060 1.00 . A A . 14 PHE CD1 1 1 7 2061 1 1 14 PHE CD2 C 10.275 3.519 -1.382 1.00 . A A . 14 PHE CD2 1 1 7 2062 1 1 14 PHE CE1 C 7.965 4.868 -0.714 1.00 . A A . 14 PHE CE1 1 1 7 2063 1 1 14 PHE CE2 C 9.843 4.575 -2.162 1.00 . A A . 14 PHE CE2 1 1 7 2064 1 1 14 PHE CG C 9.558 3.129 -0.264 1.00 . A A . 14 PHE CG 1 1 7 2065 1 1 14 PHE CZ C 8.686 5.250 -1.828 1.00 . A A . 14 PHE CZ 1 1 7 2066 1 1 14 PHE H H 8.562 0.580 -0.811 1.00 . A A . 14 PHE H 1 1 7 2067 1 1 14 PHE HA H 11.327 1.089 -0.829 1.00 . A A . 14 PHE HA 1 1 7 2068 1 1 14 PHE HB2 H 9.177 1.684 1.200 1.00 . A A . 14 PHE HB2 1 1 7 2069 1 1 14 PHE HB3 H 10.784 2.343 1.228 1.00 . A A . 14 PHE HB3 1 1 7 2070 1 1 14 PHE HD1 H 7.843 3.507 0.935 1.00 . A A . 14 PHE HD1 1 1 7 2071 1 1 14 PHE HD2 H 11.180 2.990 -1.643 1.00 . A A . 14 PHE HD2 1 1 7 2072 1 1 14 PHE HE1 H 7.060 5.393 -0.449 1.00 . A A . 14 PHE HE1 1 1 7 2073 1 1 14 PHE HE2 H 10.409 4.872 -3.032 1.00 . A A . 14 PHE HE2 1 1 7 2074 1 1 14 PHE HZ H 8.346 6.076 -2.435 1.00 . A A . 14 PHE HZ 1 1 7 2075 1 1 14 PHE N N 9.466 0.222 -0.949 1.00 . A A . 14 PHE N 1 1 7 2076 1 1 14 PHE O O 12.216 -0.670 0.736 1.00 . A A . 14 PHE O 1 1 7 2077 1 1 15 ILE C C 11.904 -1.387 3.405 1.00 . A A . 15 ILE C 1 1 7 2078 1 1 15 ILE CA C 10.497 -1.572 2.846 1.00 . A A . 15 ILE CA 1 1 7 2079 1 1 15 ILE CB C 10.278 -3.056 2.440 1.00 . A A . 15 ILE CB 1 1 7 2080 1 1 15 ILE CD1 C 10.819 -4.851 0.703 1.00 . A A . 15 ILE CD1 1 1 7 2081 1 1 15 ILE CG1 C 10.969 -3.401 1.114 1.00 . A A . 15 ILE CG1 1 1 7 2082 1 1 15 ILE CG2 C 8.791 -3.357 2.357 1.00 . A A . 15 ILE CG2 1 1 7 2083 1 1 15 ILE H H 9.283 -0.229 1.735 1.00 . A A . 15 ILE H 1 1 7 2084 1 1 15 ILE HA H 9.802 -1.357 3.647 1.00 . A A . 15 ILE HA 1 1 7 2085 1 1 15 ILE HB H 10.695 -3.676 3.222 1.00 . A A . 15 ILE HB 1 1 7 2086 1 1 15 ILE HD11 H 11.252 -5.487 1.460 1.00 . A A . 15 ILE HD11 1 1 7 2087 1 1 15 ILE HD12 H 11.325 -5.015 -0.237 1.00 . A A . 15 ILE HD12 1 1 7 2088 1 1 15 ILE HD13 H 9.770 -5.087 0.592 1.00 . A A . 15 ILE HD13 1 1 7 2089 1 1 15 ILE HG12 H 10.550 -2.790 0.329 1.00 . A A . 15 ILE HG12 1 1 7 2090 1 1 15 ILE HG13 H 12.025 -3.188 1.202 1.00 . A A . 15 ILE HG13 1 1 7 2091 1 1 15 ILE HG21 H 8.648 -4.395 2.098 1.00 . A A . 15 ILE HG21 1 1 7 2092 1 1 15 ILE HG22 H 8.345 -2.732 1.600 1.00 . A A . 15 ILE HG22 1 1 7 2093 1 1 15 ILE HG23 H 8.329 -3.156 3.312 1.00 . A A . 15 ILE HG23 1 1 7 2094 1 1 15 ILE N N 10.190 -0.619 1.767 1.00 . A A . 15 ILE N 1 1 7 2095 1 1 15 ILE O O 12.708 -2.321 3.440 1.00 . A A . 15 ILE O 1 1 7 2096 1 1 16 SER C C 13.378 0.266 5.927 1.00 . A A . 16 SER C 1 1 7 2097 1 1 16 SER CA C 13.491 0.134 4.412 1.00 . A A . 16 SER CA 1 1 7 2098 1 1 16 SER CB C 14.039 1.425 3.794 1.00 . A A . 16 SER CB 1 1 7 2099 1 1 16 SER H H 11.510 0.526 3.802 1.00 . A A . 16 SER H 1 1 7 2100 1 1 16 SER HA H 14.159 -0.682 4.179 1.00 . A A . 16 SER HA 1 1 7 2101 1 1 16 SER HB2 H 14.000 1.347 2.718 1.00 . A A . 16 SER HB2 1 1 7 2102 1 1 16 SER HB3 H 13.435 2.259 4.116 1.00 . A A . 16 SER HB3 1 1 7 2103 1 1 16 SER HG H 15.976 1.356 3.484 1.00 . A A . 16 SER HG 1 1 7 2104 1 1 16 SER N N 12.193 -0.177 3.848 1.00 . A A . 16 SER N 1 1 7 2105 1 1 16 SER O O 13.003 1.356 6.403 1.00 . A A . 16 SER O 1 1 7 2106 1 1 16 SER OXT O 13.648 -0.732 6.634 1.00 . A A . 16 SER OXT 1 1 7 2107 1 1 16 SER OG O 15.384 1.658 4.185 1.00 . A A . 16 SER OG 1 1 8 2108 1 1 1 LYS C C -8.791 2.392 0.892 1.00 . A A . 1 LYS C 1 1 8 2109 1 1 1 LYS CA C -9.473 3.696 1.295 1.00 . A A . 1 LYS CA 1 1 8 2110 1 1 1 LYS CB C -9.276 3.941 2.796 1.00 . A A . 1 LYS CB 1 1 8 2111 1 1 1 LYS CD C -9.162 6.444 2.581 1.00 . A A . 1 LYS CD 1 1 8 2112 1 1 1 LYS CE C -9.667 7.776 3.110 1.00 . A A . 1 LYS CE 1 1 8 2113 1 1 1 LYS CG C -9.827 5.272 3.284 1.00 . A A . 1 LYS CG 1 1 8 2114 1 1 1 LYS H1 H -11.038 3.600 -0.069 1.00 . A A . 1 LYS H1 1 1 8 2115 1 1 1 LYS H2 H -11.378 4.531 1.300 1.00 . A A . 1 LYS H2 1 1 8 2116 1 1 1 LYS H3 H -11.365 2.845 1.407 1.00 . A A . 1 LYS H3 1 1 8 2117 1 1 1 LYS HA H -9.018 4.506 0.745 1.00 . A A . 1 LYS HA 1 1 8 2118 1 1 1 LYS HB2 H -9.767 3.152 3.344 1.00 . A A . 1 LYS HB2 1 1 8 2119 1 1 1 LYS HB3 H -8.219 3.913 3.015 1.00 . A A . 1 LYS HB3 1 1 8 2120 1 1 1 LYS HD2 H -8.096 6.387 2.739 1.00 . A A . 1 LYS HD2 1 1 8 2121 1 1 1 LYS HD3 H -9.374 6.384 1.524 1.00 . A A . 1 LYS HD3 1 1 8 2122 1 1 1 LYS HE2 H -9.227 8.571 2.528 1.00 . A A . 1 LYS HE2 1 1 8 2123 1 1 1 LYS HE3 H -10.741 7.805 3.001 1.00 . A A . 1 LYS HE3 1 1 8 2124 1 1 1 LYS HG2 H -10.889 5.305 3.091 1.00 . A A . 1 LYS HG2 1 1 8 2125 1 1 1 LYS HG3 H -9.650 5.356 4.346 1.00 . A A . 1 LYS HG3 1 1 8 2126 1 1 1 LYS HZ1 H -9.596 8.936 4.845 1.00 . A A . 1 LYS HZ1 1 1 8 2127 1 1 1 LYS HZ2 H -8.297 7.865 4.684 1.00 . A A . 1 LYS HZ2 1 1 8 2128 1 1 1 LYS HZ3 H -9.818 7.286 5.135 1.00 . A A . 1 LYS HZ3 1 1 8 2129 1 1 1 LYS N N -10.911 3.667 0.961 1.00 . A A . 1 LYS N 1 1 8 2130 1 1 1 LYS NZ N -9.321 7.979 4.541 1.00 . A A . 1 LYS NZ 1 1 8 2131 1 1 1 LYS O O -7.709 2.071 1.387 1.00 . A A . 1 LYS O 1 1 8 2132 1 1 2 TRP C C -7.604 0.662 -1.338 1.00 . A A . 2 TRP C 1 1 8 2133 1 1 2 TRP CA C -8.827 0.393 -0.475 1.00 . A A . 2 TRP CA 1 1 8 2134 1 1 2 TRP CB C -9.851 -0.443 -1.247 1.00 . A A . 2 TRP CB 1 1 8 2135 1 1 2 TRP CD1 C -10.795 -1.584 0.841 1.00 . A A . 2 TRP CD1 1 1 8 2136 1 1 2 TRP CD2 C -12.344 -1.026 -0.674 1.00 . A A . 2 TRP CD2 1 1 8 2137 1 1 2 TRP CE2 C -12.985 -1.637 0.419 1.00 . A A . 2 TRP CE2 1 1 8 2138 1 1 2 TRP CE3 C -13.123 -0.593 -1.750 1.00 . A A . 2 TRP CE3 1 1 8 2139 1 1 2 TRP CG C -10.943 -0.993 -0.380 1.00 . A A . 2 TRP CG 1 1 8 2140 1 1 2 TRP CH2 C -15.093 -1.394 -0.597 1.00 . A A . 2 TRP CH2 1 1 8 2141 1 1 2 TRP CZ2 C -14.364 -1.824 0.463 1.00 . A A . 2 TRP CZ2 1 1 8 2142 1 1 2 TRP CZ3 C -14.491 -0.784 -1.700 1.00 . A A . 2 TRP CZ3 1 1 8 2143 1 1 2 TRP H H -10.276 1.923 -0.369 1.00 . A A . 2 TRP H 1 1 8 2144 1 1 2 TRP HA H -8.511 -0.158 0.395 1.00 . A A . 2 TRP HA 1 1 8 2145 1 1 2 TRP HB2 H -10.310 0.173 -2.006 1.00 . A A . 2 TRP HB2 1 1 8 2146 1 1 2 TRP HB3 H -9.347 -1.273 -1.717 1.00 . A A . 2 TRP HB3 1 1 8 2147 1 1 2 TRP HD1 H -9.847 -1.718 1.342 1.00 . A A . 2 TRP HD1 1 1 8 2148 1 1 2 TRP HE1 H -12.174 -2.406 2.195 1.00 . A A . 2 TRP HE1 1 1 8 2149 1 1 2 TRP HE3 H -12.672 -0.120 -2.610 1.00 . A A . 2 TRP HE3 1 1 8 2150 1 1 2 TRP HH2 H -16.159 -1.527 -0.595 1.00 . A A . 2 TRP HH2 1 1 8 2151 1 1 2 TRP HZ2 H -14.855 -2.290 1.297 1.00 . A A . 2 TRP HZ2 1 1 8 2152 1 1 2 TRP HZ3 H -15.112 -0.459 -2.521 1.00 . A A . 2 TRP HZ3 1 1 8 2153 1 1 2 TRP N N -9.411 1.639 -0.009 1.00 . A A . 2 TRP N 1 1 8 2154 1 1 2 TRP NE1 N -12.019 -1.964 1.331 1.00 . A A . 2 TRP NE1 1 1 8 2155 1 1 2 TRP O O -6.643 -0.104 -1.321 1.00 . A A . 2 TRP O 1 1 8 2156 1 1 3 ALA C C -5.323 2.633 -2.041 1.00 . A A . 3 ALA C 1 1 8 2157 1 1 3 ALA CA C -6.486 2.142 -2.893 1.00 . A A . 3 ALA CA 1 1 8 2158 1 1 3 ALA CB C -6.865 3.183 -3.928 1.00 . A A . 3 ALA CB 1 1 8 2159 1 1 3 ALA H H -8.414 2.352 -2.045 1.00 . A A . 3 ALA H 1 1 8 2160 1 1 3 ALA HA H -6.171 1.253 -3.420 1.00 . A A . 3 ALA HA 1 1 8 2161 1 1 3 ALA HB1 H -6.968 4.145 -3.451 1.00 . A A . 3 ALA HB1 1 1 8 2162 1 1 3 ALA HB2 H -7.801 2.907 -4.389 1.00 . A A . 3 ALA HB2 1 1 8 2163 1 1 3 ALA HB3 H -6.091 3.232 -4.684 1.00 . A A . 3 ALA HB3 1 1 8 2164 1 1 3 ALA N N -7.621 1.774 -2.063 1.00 . A A . 3 ALA N 1 1 8 2165 1 1 3 ALA O O -4.220 2.829 -2.538 1.00 . A A . 3 ALA O 1 1 8 2166 1 1 4 VAL C C -3.562 1.973 0.313 1.00 . A A . 4 VAL C 1 1 8 2167 1 1 4 VAL CA C -4.508 3.161 0.174 1.00 . A A . 4 VAL CA 1 1 8 2168 1 1 4 VAL CB C -5.081 3.559 1.548 1.00 . A A . 4 VAL CB 1 1 8 2169 1 1 4 VAL CG1 C -3.981 3.763 2.554 1.00 . A A . 4 VAL CG1 1 1 8 2170 1 1 4 VAL CG2 C -5.911 4.820 1.441 1.00 . A A . 4 VAL CG2 1 1 8 2171 1 1 4 VAL H H -6.475 2.724 -0.403 1.00 . A A . 4 VAL H 1 1 8 2172 1 1 4 VAL HA H -3.966 4.002 -0.235 1.00 . A A . 4 VAL HA 1 1 8 2173 1 1 4 VAL HB H -5.718 2.762 1.899 1.00 . A A . 4 VAL HB 1 1 8 2174 1 1 4 VAL HG11 H -4.413 4.065 3.493 1.00 . A A . 4 VAL HG11 1 1 8 2175 1 1 4 VAL HG12 H -3.314 4.531 2.198 1.00 . A A . 4 VAL HG12 1 1 8 2176 1 1 4 VAL HG13 H -3.440 2.841 2.681 1.00 . A A . 4 VAL HG13 1 1 8 2177 1 1 4 VAL HG21 H -6.257 5.102 2.425 1.00 . A A . 4 VAL HG21 1 1 8 2178 1 1 4 VAL HG22 H -6.759 4.642 0.796 1.00 . A A . 4 VAL HG22 1 1 8 2179 1 1 4 VAL HG23 H -5.305 5.614 1.033 1.00 . A A . 4 VAL HG23 1 1 8 2180 1 1 4 VAL N N -5.566 2.820 -0.748 1.00 . A A . 4 VAL N 1 1 8 2181 1 1 4 VAL O O -2.372 2.129 0.583 1.00 . A A . 4 VAL O 1 1 8 2182 1 1 5 ARG C C -2.349 -0.423 -1.142 1.00 . A A . 5 ARG C 1 1 8 2183 1 1 5 ARG CA C -3.291 -0.435 0.062 1.00 . A A . 5 ARG CA 1 1 8 2184 1 1 5 ARG CB C -4.178 -1.687 0.036 1.00 . A A . 5 ARG CB 1 1 8 2185 1 1 5 ARG CD C -5.750 -0.983 1.905 1.00 . A A . 5 ARG CD 1 1 8 2186 1 1 5 ARG CG C -4.799 -2.054 1.385 1.00 . A A . 5 ARG CG 1 1 8 2187 1 1 5 ARG CZ C -6.883 -0.507 4.051 1.00 . A A . 5 ARG CZ 1 1 8 2188 1 1 5 ARG H H -5.065 0.713 -0.111 1.00 . A A . 5 ARG H 1 1 8 2189 1 1 5 ARG HA H -2.698 -0.442 0.965 1.00 . A A . 5 ARG HA 1 1 8 2190 1 1 5 ARG HB2 H -4.979 -1.526 -0.668 1.00 . A A . 5 ARG HB2 1 1 8 2191 1 1 5 ARG HB3 H -3.582 -2.522 -0.298 1.00 . A A . 5 ARG HB3 1 1 8 2192 1 1 5 ARG HD2 H -5.194 -0.068 2.053 1.00 . A A . 5 ARG HD2 1 1 8 2193 1 1 5 ARG HD3 H -6.523 -0.817 1.168 1.00 . A A . 5 ARG HD3 1 1 8 2194 1 1 5 ARG HE H -6.421 -2.332 3.370 1.00 . A A . 5 ARG HE 1 1 8 2195 1 1 5 ARG HG2 H -5.349 -2.976 1.273 1.00 . A A . 5 ARG HG2 1 1 8 2196 1 1 5 ARG HG3 H -4.004 -2.195 2.105 1.00 . A A . 5 ARG HG3 1 1 8 2197 1 1 5 ARG HH11 H -6.440 1.146 2.971 1.00 . A A . 5 ARG HH11 1 1 8 2198 1 1 5 ARG HH12 H -7.232 1.442 4.483 1.00 . A A . 5 ARG HH12 1 1 8 2199 1 1 5 ARG HH21 H -7.465 -1.940 5.361 1.00 . A A . 5 ARG HH21 1 1 8 2200 1 1 5 ARG HH22 H -7.825 -0.310 5.836 1.00 . A A . 5 ARG HH22 1 1 8 2201 1 1 5 ARG N N -4.098 0.779 0.073 1.00 . A A . 5 ARG N 1 1 8 2202 1 1 5 ARG NE N -6.374 -1.369 3.170 1.00 . A A . 5 ARG NE 1 1 8 2203 1 1 5 ARG NH1 N -6.847 0.798 3.815 1.00 . A A . 5 ARG NH1 1 1 8 2204 1 1 5 ARG NH2 N -7.433 -0.955 5.173 1.00 . A A . 5 ARG NH2 1 1 8 2205 1 1 5 ARG O O -1.356 -1.147 -1.180 1.00 . A A . 5 ARG O 1 1 8 2206 1 1 6 ILE C C -0.656 1.529 -2.897 1.00 . A A . 6 ILE C 1 1 8 2207 1 1 6 ILE CA C -1.828 0.626 -3.291 1.00 . A A . 6 ILE CA 1 1 8 2208 1 1 6 ILE CB C -2.626 1.280 -4.457 1.00 . A A . 6 ILE CB 1 1 8 2209 1 1 6 ILE CD1 C -4.326 -0.655 -4.299 1.00 . A A . 6 ILE CD1 1 1 8 2210 1 1 6 ILE CG1 C -3.536 0.278 -5.191 1.00 . A A . 6 ILE CG1 1 1 8 2211 1 1 6 ILE CG2 C -1.685 1.933 -5.458 1.00 . A A . 6 ILE CG2 1 1 8 2212 1 1 6 ILE H H -3.520 0.908 -2.057 1.00 . A A . 6 ILE H 1 1 8 2213 1 1 6 ILE HA H -1.444 -0.337 -3.617 1.00 . A A . 6 ILE HA 1 1 8 2214 1 1 6 ILE HB H -3.243 2.060 -4.035 1.00 . A A . 6 ILE HB 1 1 8 2215 1 1 6 ILE HD11 H -4.884 -0.080 -3.578 1.00 . A A . 6 ILE HD11 1 1 8 2216 1 1 6 ILE HD12 H -3.646 -1.318 -3.782 1.00 . A A . 6 ILE HD12 1 1 8 2217 1 1 6 ILE HD13 H -5.007 -1.238 -4.900 1.00 . A A . 6 ILE HD13 1 1 8 2218 1 1 6 ILE HG12 H -4.255 0.837 -5.777 1.00 . A A . 6 ILE HG12 1 1 8 2219 1 1 6 ILE HG13 H -2.935 -0.326 -5.855 1.00 . A A . 6 ILE HG13 1 1 8 2220 1 1 6 ILE HG21 H -1.102 2.693 -4.958 1.00 . A A . 6 ILE HG21 1 1 8 2221 1 1 6 ILE HG22 H -2.261 2.385 -6.253 1.00 . A A . 6 ILE HG22 1 1 8 2222 1 1 6 ILE HG23 H -1.024 1.186 -5.871 1.00 . A A . 6 ILE HG23 1 1 8 2223 1 1 6 ILE N N -2.677 0.412 -2.122 1.00 . A A . 6 ILE N 1 1 8 2224 1 1 6 ILE O O 0.473 1.333 -3.334 1.00 . A A . 6 ILE O 1 1 8 2225 1 1 7 ILE C C 1.007 2.497 -0.586 1.00 . A A . 7 ILE C 1 1 8 2226 1 1 7 ILE CA C 0.122 3.350 -1.487 1.00 . A A . 7 ILE CA 1 1 8 2227 1 1 7 ILE CB C -0.451 4.556 -0.692 1.00 . A A . 7 ILE CB 1 1 8 2228 1 1 7 ILE CD1 C -2.166 5.278 -2.456 1.00 . A A . 7 ILE CD1 1 1 8 2229 1 1 7 ILE CG1 C -0.948 5.654 -1.642 1.00 . A A . 7 ILE CG1 1 1 8 2230 1 1 7 ILE CG2 C 0.589 5.128 0.264 1.00 . A A . 7 ILE CG2 1 1 8 2231 1 1 7 ILE H H -1.867 2.693 -1.812 1.00 . A A . 7 ILE H 1 1 8 2232 1 1 7 ILE HA H 0.722 3.729 -2.304 1.00 . A A . 7 ILE HA 1 1 8 2233 1 1 7 ILE HB H -1.282 4.202 -0.102 1.00 . A A . 7 ILE HB 1 1 8 2234 1 1 7 ILE HD11 H -2.432 6.099 -3.106 1.00 . A A . 7 ILE HD11 1 1 8 2235 1 1 7 ILE HD12 H -2.989 5.063 -1.791 1.00 . A A . 7 ILE HD12 1 1 8 2236 1 1 7 ILE HD13 H -1.944 4.404 -3.050 1.00 . A A . 7 ILE HD13 1 1 8 2237 1 1 7 ILE HG12 H -1.201 6.527 -1.061 1.00 . A A . 7 ILE HG12 1 1 8 2238 1 1 7 ILE HG13 H -0.154 5.908 -2.331 1.00 . A A . 7 ILE HG13 1 1 8 2239 1 1 7 ILE HG21 H 0.892 4.364 0.965 1.00 . A A . 7 ILE HG21 1 1 8 2240 1 1 7 ILE HG22 H 0.163 5.962 0.801 1.00 . A A . 7 ILE HG22 1 1 8 2241 1 1 7 ILE HG23 H 1.449 5.463 -0.299 1.00 . A A . 7 ILE HG23 1 1 8 2242 1 1 7 ILE N N -0.934 2.516 -2.053 1.00 . A A . 7 ILE N 1 1 8 2243 1 1 7 ILE O O 2.231 2.616 -0.597 1.00 . A A . 7 ILE O 1 1 8 2244 1 1 8 ARG C C 1.923 -0.290 0.115 1.00 . A A . 8 ARG C 1 1 8 2245 1 1 8 ARG CA C 1.102 0.649 0.991 1.00 . A A . 8 ARG CA 1 1 8 2246 1 1 8 ARG CB C 0.135 -0.164 1.851 1.00 . A A . 8 ARG CB 1 1 8 2247 1 1 8 ARG CD C 0.179 1.432 3.797 1.00 . A A . 8 ARG CD 1 1 8 2248 1 1 8 ARG CG C -0.692 0.672 2.810 1.00 . A A . 8 ARG CG 1 1 8 2249 1 1 8 ARG CZ C -0.155 2.545 5.971 1.00 . A A . 8 ARG CZ 1 1 8 2250 1 1 8 ARG H H -0.607 1.597 0.170 1.00 . A A . 8 ARG H 1 1 8 2251 1 1 8 ARG HA H 1.772 1.204 1.634 1.00 . A A . 8 ARG HA 1 1 8 2252 1 1 8 ARG HB2 H -0.540 -0.699 1.201 1.00 . A A . 8 ARG HB2 1 1 8 2253 1 1 8 ARG HB3 H 0.702 -0.878 2.428 1.00 . A A . 8 ARG HB3 1 1 8 2254 1 1 8 ARG HD2 H 0.829 0.731 4.300 1.00 . A A . 8 ARG HD2 1 1 8 2255 1 1 8 ARG HD3 H 0.775 2.149 3.254 1.00 . A A . 8 ARG HD3 1 1 8 2256 1 1 8 ARG HE H -1.568 2.308 4.574 1.00 . A A . 8 ARG HE 1 1 8 2257 1 1 8 ARG HG2 H -1.274 1.382 2.241 1.00 . A A . 8 ARG HG2 1 1 8 2258 1 1 8 ARG HG3 H -1.353 0.018 3.357 1.00 . A A . 8 ARG HG3 1 1 8 2259 1 1 8 ARG HH11 H 1.719 1.831 5.676 1.00 . A A . 8 ARG HH11 1 1 8 2260 1 1 8 ARG HH12 H 1.461 2.622 7.195 1.00 . A A . 8 ARG HH12 1 1 8 2261 1 1 8 ARG HH21 H -1.913 3.350 6.579 1.00 . A A . 8 ARG HH21 1 1 8 2262 1 1 8 ARG HH22 H -0.602 3.487 7.703 1.00 . A A . 8 ARG HH22 1 1 8 2263 1 1 8 ARG N N 0.376 1.605 0.165 1.00 . A A . 8 ARG N 1 1 8 2264 1 1 8 ARG NE N -0.623 2.136 4.794 1.00 . A A . 8 ARG NE 1 1 8 2265 1 1 8 ARG NH1 N 1.110 2.314 6.306 1.00 . A A . 8 ARG NH1 1 1 8 2266 1 1 8 ARG NH2 N -0.954 3.177 6.818 1.00 . A A . 8 ARG NH2 1 1 8 2267 1 1 8 ARG O O 2.915 -0.859 0.563 1.00 . A A . 8 ARG O 1 1 8 2268 1 1 9 LYS C C 3.547 -0.607 -2.440 1.00 . A A . 9 LYS C 1 1 8 2269 1 1 9 LYS CA C 2.219 -1.260 -2.102 1.00 . A A . 9 LYS CA 1 1 8 2270 1 1 9 LYS CB C 1.398 -1.430 -3.370 1.00 . A A . 9 LYS CB 1 1 8 2271 1 1 9 LYS CD C 1.665 -3.893 -3.473 1.00 . A A . 9 LYS CD 1 1 8 2272 1 1 9 LYS CE C 1.940 -5.087 -4.372 1.00 . A A . 9 LYS CE 1 1 8 2273 1 1 9 LYS CG C 1.845 -2.593 -4.219 1.00 . A A . 9 LYS CG 1 1 8 2274 1 1 9 LYS H H 0.684 0.021 -1.424 1.00 . A A . 9 LYS H 1 1 8 2275 1 1 9 LYS HA H 2.398 -2.229 -1.665 1.00 . A A . 9 LYS HA 1 1 8 2276 1 1 9 LYS HB2 H 0.364 -1.583 -3.100 1.00 . A A . 9 LYS HB2 1 1 8 2277 1 1 9 LYS HB3 H 1.478 -0.528 -3.961 1.00 . A A . 9 LYS HB3 1 1 8 2278 1 1 9 LYS HD2 H 2.352 -3.912 -2.634 1.00 . A A . 9 LYS HD2 1 1 8 2279 1 1 9 LYS HD3 H 0.647 -3.943 -3.112 1.00 . A A . 9 LYS HD3 1 1 8 2280 1 1 9 LYS HE2 H 1.339 -4.993 -5.264 1.00 . A A . 9 LYS HE2 1 1 8 2281 1 1 9 LYS HE3 H 2.985 -5.084 -4.644 1.00 . A A . 9 LYS HE3 1 1 8 2282 1 1 9 LYS HG2 H 1.253 -2.617 -5.114 1.00 . A A . 9 LYS HG2 1 1 8 2283 1 1 9 LYS HG3 H 2.888 -2.470 -4.472 1.00 . A A . 9 LYS HG3 1 1 8 2284 1 1 9 LYS HZ1 H 0.616 -6.386 -3.418 1.00 . A A . 9 LYS HZ1 1 1 8 2285 1 1 9 LYS HZ2 H 2.210 -6.508 -2.864 1.00 . A A . 9 LYS HZ2 1 1 8 2286 1 1 9 LYS HZ3 H 1.782 -7.165 -4.362 1.00 . A A . 9 LYS HZ3 1 1 8 2287 1 1 9 LYS N N 1.502 -0.439 -1.138 1.00 . A A . 9 LYS N 1 1 8 2288 1 1 9 LYS NZ N 1.616 -6.375 -3.707 1.00 . A A . 9 LYS NZ 1 1 8 2289 1 1 9 LYS O O 4.579 -1.272 -2.563 1.00 . A A . 9 LYS O 1 1 8 2290 1 1 10 PHE C C 5.638 1.352 -1.635 1.00 . A A . 10 PHE C 1 1 8 2291 1 1 10 PHE CA C 4.693 1.505 -2.816 1.00 . A A . 10 PHE CA 1 1 8 2292 1 1 10 PHE CB C 4.323 2.980 -2.987 1.00 . A A . 10 PHE CB 1 1 8 2293 1 1 10 PHE CD1 C 2.466 4.367 -3.939 1.00 . A A . 10 PHE CD1 1 1 8 2294 1 1 10 PHE CD2 C 3.089 2.379 -5.099 1.00 . A A . 10 PHE CD2 1 1 8 2295 1 1 10 PHE CE1 C 1.496 4.622 -4.890 1.00 . A A . 10 PHE CE1 1 1 8 2296 1 1 10 PHE CE2 C 2.120 2.629 -6.052 1.00 . A A . 10 PHE CE2 1 1 8 2297 1 1 10 PHE CG C 3.274 3.245 -4.032 1.00 . A A . 10 PHE CG 1 1 8 2298 1 1 10 PHE CZ C 1.325 3.752 -5.947 1.00 . A A . 10 PHE CZ 1 1 8 2299 1 1 10 PHE H H 2.629 1.161 -2.530 1.00 . A A . 10 PHE H 1 1 8 2300 1 1 10 PHE HA H 5.176 1.145 -3.712 1.00 . A A . 10 PHE HA 1 1 8 2301 1 1 10 PHE HB2 H 3.946 3.351 -2.045 1.00 . A A . 10 PHE HB2 1 1 8 2302 1 1 10 PHE HB3 H 5.209 3.534 -3.256 1.00 . A A . 10 PHE HB3 1 1 8 2303 1 1 10 PHE HD1 H 2.601 5.049 -3.113 1.00 . A A . 10 PHE HD1 1 1 8 2304 1 1 10 PHE HD2 H 3.705 1.497 -5.178 1.00 . A A . 10 PHE HD2 1 1 8 2305 1 1 10 PHE HE1 H 0.874 5.500 -4.805 1.00 . A A . 10 PHE HE1 1 1 8 2306 1 1 10 PHE HE2 H 1.986 1.947 -6.879 1.00 . A A . 10 PHE HE2 1 1 8 2307 1 1 10 PHE HZ H 0.567 3.948 -6.691 1.00 . A A . 10 PHE HZ 1 1 8 2308 1 1 10 PHE N N 3.500 0.709 -2.581 1.00 . A A . 10 PHE N 1 1 8 2309 1 1 10 PHE O O 6.856 1.282 -1.792 1.00 . A A . 10 PHE O 1 1 8 2310 1 1 11 ILE C C 6.406 -0.278 0.821 1.00 . A A . 11 ILE C 1 1 8 2311 1 1 11 ILE CA C 5.783 1.099 0.791 1.00 . A A . 11 ILE CA 1 1 8 2312 1 1 11 ILE CB C 4.880 1.320 2.031 1.00 . A A . 11 ILE CB 1 1 8 2313 1 1 11 ILE CD1 C 4.662 3.672 1.112 1.00 . A A . 11 ILE CD1 1 1 8 2314 1 1 11 ILE CG1 C 4.779 2.814 2.344 1.00 . A A . 11 ILE CG1 1 1 8 2315 1 1 11 ILE CG2 C 5.428 0.579 3.235 1.00 . A A . 11 ILE CG2 1 1 8 2316 1 1 11 ILE H H 4.070 1.401 -0.411 1.00 . A A . 11 ILE H 1 1 8 2317 1 1 11 ILE HA H 6.576 1.829 0.829 1.00 . A A . 11 ILE HA 1 1 8 2318 1 1 11 ILE HB H 3.897 0.935 1.811 1.00 . A A . 11 ILE HB 1 1 8 2319 1 1 11 ILE HD11 H 3.721 3.462 0.624 1.00 . A A . 11 ILE HD11 1 1 8 2320 1 1 11 ILE HD12 H 5.478 3.422 0.437 1.00 . A A . 11 ILE HD12 1 1 8 2321 1 1 11 ILE HD13 H 4.715 4.715 1.382 1.00 . A A . 11 ILE HD13 1 1 8 2322 1 1 11 ILE HG12 H 3.907 2.991 2.956 1.00 . A A . 11 ILE HG12 1 1 8 2323 1 1 11 ILE HG13 H 5.663 3.124 2.883 1.00 . A A . 11 ILE HG13 1 1 8 2324 1 1 11 ILE HG21 H 5.407 -0.484 3.042 1.00 . A A . 11 ILE HG21 1 1 8 2325 1 1 11 ILE HG22 H 4.827 0.802 4.102 1.00 . A A . 11 ILE HG22 1 1 8 2326 1 1 11 ILE HG23 H 6.446 0.893 3.406 1.00 . A A . 11 ILE HG23 1 1 8 2327 1 1 11 ILE N N 5.044 1.294 -0.451 1.00 . A A . 11 ILE N 1 1 8 2328 1 1 11 ILE O O 7.536 -0.442 1.268 1.00 . A A . 11 ILE O 1 1 8 2329 1 1 12 LYS C C 7.421 -2.670 -0.699 1.00 . A A . 12 LYS C 1 1 8 2330 1 1 12 LYS CA C 6.211 -2.614 0.228 1.00 . A A . 12 LYS CA 1 1 8 2331 1 1 12 LYS CB C 5.127 -3.591 -0.227 1.00 . A A . 12 LYS CB 1 1 8 2332 1 1 12 LYS CD C 2.999 -4.798 0.355 1.00 . A A . 12 LYS CD 1 1 8 2333 1 1 12 LYS CE C 1.982 -5.063 1.453 1.00 . A A . 12 LYS CE 1 1 8 2334 1 1 12 LYS CG C 4.040 -3.795 0.812 1.00 . A A . 12 LYS CG 1 1 8 2335 1 1 12 LYS H H 4.787 -1.054 -0.064 1.00 . A A . 12 LYS H 1 1 8 2336 1 1 12 LYS HA H 6.531 -2.888 1.223 1.00 . A A . 12 LYS HA 1 1 8 2337 1 1 12 LYS HB2 H 4.669 -3.212 -1.129 1.00 . A A . 12 LYS HB2 1 1 8 2338 1 1 12 LYS HB3 H 5.581 -4.548 -0.437 1.00 . A A . 12 LYS HB3 1 1 8 2339 1 1 12 LYS HD2 H 2.488 -4.406 -0.511 1.00 . A A . 12 LYS HD2 1 1 8 2340 1 1 12 LYS HD3 H 3.491 -5.725 0.099 1.00 . A A . 12 LYS HD3 1 1 8 2341 1 1 12 LYS HE2 H 2.490 -5.498 2.299 1.00 . A A . 12 LYS HE2 1 1 8 2342 1 1 12 LYS HE3 H 1.536 -4.123 1.746 1.00 . A A . 12 LYS HE3 1 1 8 2343 1 1 12 LYS HG2 H 4.491 -4.153 1.724 1.00 . A A . 12 LYS HG2 1 1 8 2344 1 1 12 LYS HG3 H 3.555 -2.846 0.998 1.00 . A A . 12 LYS HG3 1 1 8 2345 1 1 12 LYS HZ1 H 1.321 -6.905 0.733 1.00 . A A . 12 LYS HZ1 1 1 8 2346 1 1 12 LYS HZ2 H 0.407 -5.589 0.190 1.00 . A A . 12 LYS HZ2 1 1 8 2347 1 1 12 LYS HZ3 H 0.228 -6.143 1.775 1.00 . A A . 12 LYS HZ3 1 1 8 2348 1 1 12 LYS N N 5.689 -1.255 0.294 1.00 . A A . 12 LYS N 1 1 8 2349 1 1 12 LYS NZ N 0.910 -5.990 1.006 1.00 . A A . 12 LYS NZ 1 1 8 2350 1 1 12 LYS O O 8.280 -3.542 -0.572 1.00 . A A . 12 LYS O 1 1 8 2351 1 1 13 GLY C C 9.731 -0.756 -1.813 1.00 . A A . 13 GLY C 1 1 8 2352 1 1 13 GLY CA C 8.650 -1.595 -2.469 1.00 . A A . 13 GLY CA 1 1 8 2353 1 1 13 GLY H H 6.732 -1.108 -1.733 1.00 . A A . 13 GLY H 1 1 8 2354 1 1 13 GLY HA2 H 9.044 -2.580 -2.677 1.00 . A A . 13 GLY HA2 1 1 8 2355 1 1 13 GLY HA3 H 8.359 -1.126 -3.399 1.00 . A A . 13 GLY HA3 1 1 8 2356 1 1 13 GLY N N 7.486 -1.724 -1.622 1.00 . A A . 13 GLY N 1 1 8 2357 1 1 13 GLY O O 10.922 -1.010 -2.002 1.00 . A A . 13 GLY O 1 1 8 2358 1 1 14 PHE C C 10.937 0.486 0.803 1.00 . A A . 14 PHE C 1 1 8 2359 1 1 14 PHE CA C 10.232 1.147 -0.380 1.00 . A A . 14 PHE CA 1 1 8 2360 1 1 14 PHE CB C 9.423 2.373 0.029 1.00 . A A . 14 PHE CB 1 1 8 2361 1 1 14 PHE CD1 C 11.117 3.672 1.343 1.00 . A A . 14 PHE CD1 1 1 8 2362 1 1 14 PHE CD2 C 9.021 3.149 2.337 1.00 . A A . 14 PHE CD2 1 1 8 2363 1 1 14 PHE CE1 C 11.504 4.335 2.492 1.00 . A A . 14 PHE CE1 1 1 8 2364 1 1 14 PHE CE2 C 9.395 3.807 3.493 1.00 . A A . 14 PHE CE2 1 1 8 2365 1 1 14 PHE CG C 9.874 3.077 1.262 1.00 . A A . 14 PHE CG 1 1 8 2366 1 1 14 PHE CZ C 10.642 4.401 3.571 1.00 . A A . 14 PHE CZ 1 1 8 2367 1 1 14 PHE H H 8.345 0.363 -0.862 1.00 . A A . 14 PHE H 1 1 8 2368 1 1 14 PHE HA H 10.974 1.445 -1.105 1.00 . A A . 14 PHE HA 1 1 8 2369 1 1 14 PHE HB2 H 9.453 3.078 -0.769 1.00 . A A . 14 PHE HB2 1 1 8 2370 1 1 14 PHE HB3 H 8.399 2.071 0.182 1.00 . A A . 14 PHE HB3 1 1 8 2371 1 1 14 PHE HD1 H 11.786 3.613 0.496 1.00 . A A . 14 PHE HD1 1 1 8 2372 1 1 14 PHE HD2 H 8.049 2.676 2.261 1.00 . A A . 14 PHE HD2 1 1 8 2373 1 1 14 PHE HE1 H 12.478 4.797 2.549 1.00 . A A . 14 PHE HE1 1 1 8 2374 1 1 14 PHE HE2 H 8.717 3.856 4.333 1.00 . A A . 14 PHE HE2 1 1 8 2375 1 1 14 PHE HZ H 10.940 4.917 4.472 1.00 . A A . 14 PHE HZ 1 1 8 2376 1 1 14 PHE N N 9.314 0.233 -1.024 1.00 . A A . 14 PHE N 1 1 8 2377 1 1 14 PHE O O 12.169 0.432 0.853 1.00 . A A . 14 PHE O 1 1 8 2378 1 1 15 ILE C C 11.192 -2.117 2.477 1.00 . A A . 15 ILE C 1 1 8 2379 1 1 15 ILE CA C 10.732 -0.726 2.890 1.00 . A A . 15 ILE CA 1 1 8 2380 1 1 15 ILE CB C 9.750 -0.866 4.080 1.00 . A A . 15 ILE CB 1 1 8 2381 1 1 15 ILE CD1 C 7.638 -2.057 4.865 1.00 . A A . 15 ILE CD1 1 1 8 2382 1 1 15 ILE CG1 C 8.576 -1.779 3.712 1.00 . A A . 15 ILE CG1 1 1 8 2383 1 1 15 ILE CG2 C 9.251 0.499 4.530 1.00 . A A . 15 ILE CG2 1 1 8 2384 1 1 15 ILE H H 9.184 0.087 1.665 1.00 . A A . 15 ILE H 1 1 8 2385 1 1 15 ILE HA H 11.591 -0.164 3.227 1.00 . A A . 15 ILE HA 1 1 8 2386 1 1 15 ILE HB H 10.289 -1.307 4.904 1.00 . A A . 15 ILE HB 1 1 8 2387 1 1 15 ILE HD11 H 8.186 -2.523 5.670 1.00 . A A . 15 ILE HD11 1 1 8 2388 1 1 15 ILE HD12 H 6.850 -2.716 4.536 1.00 . A A . 15 ILE HD12 1 1 8 2389 1 1 15 ILE HD13 H 7.210 -1.128 5.211 1.00 . A A . 15 ILE HD13 1 1 8 2390 1 1 15 ILE HG12 H 8.000 -1.316 2.923 1.00 . A A . 15 ILE HG12 1 1 8 2391 1 1 15 ILE HG13 H 8.961 -2.725 3.362 1.00 . A A . 15 ILE HG13 1 1 8 2392 1 1 15 ILE HG21 H 8.743 0.986 3.711 1.00 . A A . 15 ILE HG21 1 1 8 2393 1 1 15 ILE HG22 H 10.090 1.103 4.843 1.00 . A A . 15 ILE HG22 1 1 8 2394 1 1 15 ILE HG23 H 8.567 0.378 5.357 1.00 . A A . 15 ILE HG23 1 1 8 2395 1 1 15 ILE N N 10.160 -0.018 1.746 1.00 . A A . 15 ILE N 1 1 8 2396 1 1 15 ILE O O 10.665 -2.701 1.526 1.00 . A A . 15 ILE O 1 1 8 2397 1 1 16 SER C C 13.169 -4.617 4.196 1.00 . A A . 16 SER C 1 1 8 2398 1 1 16 SER CA C 12.706 -3.959 2.902 1.00 . A A . 16 SER CA 1 1 8 2399 1 1 16 SER CB C 13.856 -3.866 1.894 1.00 . A A . 16 SER CB 1 1 8 2400 1 1 16 SER H H 12.566 -2.121 3.920 1.00 . A A . 16 SER H 1 1 8 2401 1 1 16 SER HA H 11.912 -4.551 2.476 1.00 . A A . 16 SER HA 1 1 8 2402 1 1 16 SER HB2 H 14.663 -3.289 2.320 1.00 . A A . 16 SER HB2 1 1 8 2403 1 1 16 SER HB3 H 14.207 -4.859 1.656 1.00 . A A . 16 SER HB3 1 1 8 2404 1 1 16 SER HG H 12.468 -3.095 0.741 1.00 . A A . 16 SER HG 1 1 8 2405 1 1 16 SER N N 12.178 -2.638 3.182 1.00 . A A . 16 SER N 1 1 8 2406 1 1 16 SER O O 12.595 -5.659 4.575 1.00 . A A . 16 SER O 1 1 8 2407 1 1 16 SER OXT O 14.075 -4.061 4.853 1.00 . A A . 16 SER OXT 1 1 8 2408 1 1 16 SER OG O 13.424 -3.234 0.696 1.00 . A A . 16 SER OG 1 1 9 2409 1 1 1 LYS C C -9.753 1.154 -0.344 1.00 . A A . 1 LYS C 1 1 9 2410 1 1 1 LYS CA C -11.053 1.944 -0.418 1.00 . A A . 1 LYS CA 1 1 9 2411 1 1 1 LYS CB C -10.759 3.414 -0.736 1.00 . A A . 1 LYS CB 1 1 9 2412 1 1 1 LYS CD C -11.322 3.284 -3.185 1.00 . A A . 1 LYS CD 1 1 9 2413 1 1 1 LYS CE C -10.839 3.528 -4.605 1.00 . A A . 1 LYS CE 1 1 9 2414 1 1 1 LYS CG C -10.262 3.652 -2.156 1.00 . A A . 1 LYS CG 1 1 9 2415 1 1 1 LYS H1 H -11.202 2.199 1.637 1.00 . A A . 1 LYS H1 1 1 9 2416 1 1 1 LYS H2 H -12.018 0.840 1.056 1.00 . A A . 1 LYS H2 1 1 9 2417 1 1 1 LYS H3 H -12.667 2.382 0.817 1.00 . A A . 1 LYS H3 1 1 9 2418 1 1 1 LYS HA H -11.670 1.529 -1.199 1.00 . A A . 1 LYS HA 1 1 9 2419 1 1 1 LYS HB2 H -11.663 3.988 -0.596 1.00 . A A . 1 LYS HB2 1 1 9 2420 1 1 1 LYS HB3 H -10.007 3.774 -0.050 1.00 . A A . 1 LYS HB3 1 1 9 2421 1 1 1 LYS HD2 H -11.566 2.237 -3.076 1.00 . A A . 1 LYS HD2 1 1 9 2422 1 1 1 LYS HD3 H -12.204 3.881 -3.006 1.00 . A A . 1 LYS HD3 1 1 9 2423 1 1 1 LYS HE2 H -9.924 2.977 -4.758 1.00 . A A . 1 LYS HE2 1 1 9 2424 1 1 1 LYS HE3 H -11.591 3.171 -5.292 1.00 . A A . 1 LYS HE3 1 1 9 2425 1 1 1 LYS HG2 H -10.014 4.697 -2.269 1.00 . A A . 1 LYS HG2 1 1 9 2426 1 1 1 LYS HG3 H -9.383 3.050 -2.326 1.00 . A A . 1 LYS HG3 1 1 9 2427 1 1 1 LYS HZ1 H -11.442 5.527 -4.680 1.00 . A A . 1 LYS HZ1 1 1 9 2428 1 1 1 LYS HZ2 H -10.315 5.104 -5.868 1.00 . A A . 1 LYS HZ2 1 1 9 2429 1 1 1 LYS HZ3 H -9.813 5.317 -4.268 1.00 . A A . 1 LYS HZ3 1 1 9 2430 1 1 1 LYS N N -11.785 1.833 0.860 1.00 . A A . 1 LYS N 1 1 9 2431 1 1 1 LYS NZ N -10.584 4.968 -4.872 1.00 . A A . 1 LYS NZ 1 1 9 2432 1 1 1 LYS O O -8.784 1.591 0.276 1.00 . A A . 1 LYS O 1 1 9 2433 1 1 2 TRP C C -7.378 -0.294 -1.671 1.00 . A A . 2 TRP C 1 1 9 2434 1 1 2 TRP CA C -8.571 -0.883 -0.927 1.00 . A A . 2 TRP CA 1 1 9 2435 1 1 2 TRP CB C -8.912 -2.266 -1.481 1.00 . A A . 2 TRP CB 1 1 9 2436 1 1 2 TRP CD1 C -11.136 -3.336 -0.785 1.00 . A A . 2 TRP CD1 1 1 9 2437 1 1 2 TRP CD2 C -9.472 -3.628 0.683 1.00 . A A . 2 TRP CD2 1 1 9 2438 1 1 2 TRP CE2 C -10.625 -4.259 1.183 1.00 . A A . 2 TRP CE2 1 1 9 2439 1 1 2 TRP CE3 C -8.297 -3.678 1.439 1.00 . A A . 2 TRP CE3 1 1 9 2440 1 1 2 TRP CG C -9.819 -3.048 -0.579 1.00 . A A . 2 TRP CG 1 1 9 2441 1 1 2 TRP CH2 C -9.478 -4.961 3.114 1.00 . A A . 2 TRP CH2 1 1 9 2442 1 1 2 TRP CZ2 C -10.633 -4.929 2.402 1.00 . A A . 2 TRP CZ2 1 1 9 2443 1 1 2 TRP CZ3 C -8.315 -4.345 2.648 1.00 . A A . 2 TRP CZ3 1 1 9 2444 1 1 2 TRP H H -10.518 -0.287 -1.497 1.00 . A A . 2 TRP H 1 1 9 2445 1 1 2 TRP HA H -8.301 -0.989 0.111 1.00 . A A . 2 TRP HA 1 1 9 2446 1 1 2 TRP HB2 H -9.403 -2.154 -2.435 1.00 . A A . 2 TRP HB2 1 1 9 2447 1 1 2 TRP HB3 H -8.000 -2.831 -1.611 1.00 . A A . 2 TRP HB3 1 1 9 2448 1 1 2 TRP HD1 H -11.697 -3.033 -1.656 1.00 . A A . 2 TRP HD1 1 1 9 2449 1 1 2 TRP HE1 H -12.550 -4.400 0.352 1.00 . A A . 2 TRP HE1 1 1 9 2450 1 1 2 TRP HE3 H -7.389 -3.208 1.092 1.00 . A A . 2 TRP HE3 1 1 9 2451 1 1 2 TRP HH2 H -9.452 -5.469 4.060 1.00 . A A . 2 TRP HH2 1 1 9 2452 1 1 2 TRP HZ2 H -11.513 -5.413 2.788 1.00 . A A . 2 TRP HZ2 1 1 9 2453 1 1 2 TRP HZ3 H -7.421 -4.396 3.249 1.00 . A A . 2 TRP HZ3 1 1 9 2454 1 1 2 TRP N N -9.731 -0.007 -0.982 1.00 . A A . 2 TRP N 1 1 9 2455 1 1 2 TRP NE1 N -11.628 -4.070 0.268 1.00 . A A . 2 TRP NE1 1 1 9 2456 1 1 2 TRP O O -6.237 -0.676 -1.422 1.00 . A A . 2 TRP O 1 1 9 2457 1 1 3 ALA C C -5.673 2.149 -2.418 1.00 . A A . 3 ALA C 1 1 9 2458 1 1 3 ALA CA C -6.563 1.293 -3.319 1.00 . A A . 3 ALA CA 1 1 9 2459 1 1 3 ALA CB C -7.115 2.124 -4.459 1.00 . A A . 3 ALA CB 1 1 9 2460 1 1 3 ALA H H -8.566 0.911 -2.737 1.00 . A A . 3 ALA H 1 1 9 2461 1 1 3 ALA HA H -5.958 0.509 -3.749 1.00 . A A . 3 ALA HA 1 1 9 2462 1 1 3 ALA HB1 H -7.845 1.548 -5.006 1.00 . A A . 3 ALA HB1 1 1 9 2463 1 1 3 ALA HB2 H -6.305 2.396 -5.122 1.00 . A A . 3 ALA HB2 1 1 9 2464 1 1 3 ALA HB3 H -7.576 3.017 -4.067 1.00 . A A . 3 ALA HB3 1 1 9 2465 1 1 3 ALA N N -7.636 0.653 -2.566 1.00 . A A . 3 ALA N 1 1 9 2466 1 1 3 ALA O O -4.607 2.590 -2.833 1.00 . A A . 3 ALA O 1 1 9 2467 1 1 4 VAL C C -4.113 2.189 0.193 1.00 . A A . 4 VAL C 1 1 9 2468 1 1 4 VAL CA C -5.289 3.074 -0.214 1.00 . A A . 4 VAL CA 1 1 9 2469 1 1 4 VAL CB C -6.118 3.453 1.026 1.00 . A A . 4 VAL CB 1 1 9 2470 1 1 4 VAL CG1 C -5.243 4.064 2.087 1.00 . A A . 4 VAL CG1 1 1 9 2471 1 1 4 VAL CG2 C -7.226 4.417 0.657 1.00 . A A . 4 VAL CG2 1 1 9 2472 1 1 4 VAL H H -6.998 2.083 -0.916 1.00 . A A . 4 VAL H 1 1 9 2473 1 1 4 VAL HA H -4.915 3.978 -0.672 1.00 . A A . 4 VAL HA 1 1 9 2474 1 1 4 VAL HB H -6.567 2.558 1.428 1.00 . A A . 4 VAL HB 1 1 9 2475 1 1 4 VAL HG11 H -4.700 4.893 1.662 1.00 . A A . 4 VAL HG11 1 1 9 2476 1 1 4 VAL HG12 H -4.551 3.322 2.449 1.00 . A A . 4 VAL HG12 1 1 9 2477 1 1 4 VAL HG13 H -5.862 4.415 2.897 1.00 . A A . 4 VAL HG13 1 1 9 2478 1 1 4 VAL HG21 H -7.898 3.946 -0.044 1.00 . A A . 4 VAL HG21 1 1 9 2479 1 1 4 VAL HG22 H -6.795 5.299 0.208 1.00 . A A . 4 VAL HG22 1 1 9 2480 1 1 4 VAL HG23 H -7.765 4.695 1.549 1.00 . A A . 4 VAL HG23 1 1 9 2481 1 1 4 VAL N N -6.107 2.381 -1.183 1.00 . A A . 4 VAL N 1 1 9 2482 1 1 4 VAL O O -3.017 2.669 0.492 1.00 . A A . 4 VAL O 1 1 9 2483 1 1 5 ARG C C -2.280 -0.117 -0.642 1.00 . A A . 5 ARG C 1 1 9 2484 1 1 5 ARG CA C -3.308 -0.092 0.480 1.00 . A A . 5 ARG CA 1 1 9 2485 1 1 5 ARG CB C -3.920 -1.483 0.688 1.00 . A A . 5 ARG CB 1 1 9 2486 1 1 5 ARG CD C -4.892 -0.853 2.931 1.00 . A A . 5 ARG CD 1 1 9 2487 1 1 5 ARG CG C -5.165 -1.471 1.567 1.00 . A A . 5 ARG CG 1 1 9 2488 1 1 5 ARG CZ C -6.154 0.527 4.542 1.00 . A A . 5 ARG CZ 1 1 9 2489 1 1 5 ARG H H -5.234 0.561 -0.104 1.00 . A A . 5 ARG H 1 1 9 2490 1 1 5 ARG HA H -2.821 0.226 1.393 1.00 . A A . 5 ARG HA 1 1 9 2491 1 1 5 ARG HB2 H -4.189 -1.893 -0.274 1.00 . A A . 5 ARG HB2 1 1 9 2492 1 1 5 ARG HB3 H -3.185 -2.123 1.151 1.00 . A A . 5 ARG HB3 1 1 9 2493 1 1 5 ARG HD2 H -4.432 -1.597 3.564 1.00 . A A . 5 ARG HD2 1 1 9 2494 1 1 5 ARG HD3 H -4.218 -0.019 2.808 1.00 . A A . 5 ARG HD3 1 1 9 2495 1 1 5 ARG HE H -6.972 -0.745 3.230 1.00 . A A . 5 ARG HE 1 1 9 2496 1 1 5 ARG HG2 H -5.936 -0.897 1.074 1.00 . A A . 5 ARG HG2 1 1 9 2497 1 1 5 ARG HG3 H -5.504 -2.487 1.704 1.00 . A A . 5 ARG HG3 1 1 9 2498 1 1 5 ARG HH11 H -4.136 0.683 4.718 1.00 . A A . 5 ARG HH11 1 1 9 2499 1 1 5 ARG HH12 H -5.052 1.691 5.788 1.00 . A A . 5 ARG HH12 1 1 9 2500 1 1 5 ARG HH21 H -8.176 0.574 4.636 1.00 . A A . 5 ARG HH21 1 1 9 2501 1 1 5 ARG HH22 H -7.360 1.622 5.751 1.00 . A A . 5 ARG HH22 1 1 9 2502 1 1 5 ARG N N -4.343 0.881 0.160 1.00 . A A . 5 ARG N 1 1 9 2503 1 1 5 ARG NE N -6.119 -0.380 3.567 1.00 . A A . 5 ARG NE 1 1 9 2504 1 1 5 ARG NH1 N -5.024 1.005 5.057 1.00 . A A . 5 ARG NH1 1 1 9 2505 1 1 5 ARG NH2 N -7.322 0.942 5.013 1.00 . A A . 5 ARG NH2 1 1 9 2506 1 1 5 ARG O O -1.168 -0.606 -0.472 1.00 . A A . 5 ARG O 1 1 9 2507 1 1 6 ILE C C -0.721 1.614 -2.643 1.00 . A A . 6 ILE C 1 1 9 2508 1 1 6 ILE CA C -1.798 0.567 -2.944 1.00 . A A . 6 ILE CA 1 1 9 2509 1 1 6 ILE CB C -2.612 0.975 -4.206 1.00 . A A . 6 ILE CB 1 1 9 2510 1 1 6 ILE CD1 C -3.913 -1.235 -3.939 1.00 . A A . 6 ILE CD1 1 1 9 2511 1 1 6 ILE CG1 C -3.270 -0.240 -4.884 1.00 . A A . 6 ILE CG1 1 1 9 2512 1 1 6 ILE CG2 C -1.738 1.715 -5.209 1.00 . A A . 6 ILE CG2 1 1 9 2513 1 1 6 ILE H H -3.608 0.720 -1.868 1.00 . A A . 6 ILE H 1 1 9 2514 1 1 6 ILE HA H -1.321 -0.389 -3.131 1.00 . A A . 6 ILE HA 1 1 9 2515 1 1 6 ILE HB H -3.388 1.654 -3.888 1.00 . A A . 6 ILE HB 1 1 9 2516 1 1 6 ILE HD11 H -4.453 -1.975 -4.509 1.00 . A A . 6 ILE HD11 1 1 9 2517 1 1 6 ILE HD12 H -4.593 -0.719 -3.280 1.00 . A A . 6 ILE HD12 1 1 9 2518 1 1 6 ILE HD13 H -3.146 -1.721 -3.354 1.00 . A A . 6 ILE HD13 1 1 9 2519 1 1 6 ILE HG12 H -4.047 0.118 -5.550 1.00 . A A . 6 ILE HG12 1 1 9 2520 1 1 6 ILE HG13 H -2.524 -0.765 -5.463 1.00 . A A . 6 ILE HG13 1 1 9 2521 1 1 6 ILE HG21 H -2.320 1.962 -6.082 1.00 . A A . 6 ILE HG21 1 1 9 2522 1 1 6 ILE HG22 H -0.908 1.084 -5.494 1.00 . A A . 6 ILE HG22 1 1 9 2523 1 1 6 ILE HG23 H -1.360 2.621 -4.757 1.00 . A A . 6 ILE HG23 1 1 9 2524 1 1 6 ILE N N -2.680 0.415 -1.791 1.00 . A A . 6 ILE N 1 1 9 2525 1 1 6 ILE O O 0.428 1.477 -3.057 1.00 . A A . 6 ILE O 1 1 9 2526 1 1 7 ILE C C 0.847 2.956 -0.468 1.00 . A A . 7 ILE C 1 1 9 2527 1 1 7 ILE CA C -0.120 3.634 -1.432 1.00 . A A . 7 ILE CA 1 1 9 2528 1 1 7 ILE CB C -0.801 4.852 -0.744 1.00 . A A . 7 ILE CB 1 1 9 2529 1 1 7 ILE CD1 C -2.641 5.230 -2.492 1.00 . A A . 7 ILE CD1 1 1 9 2530 1 1 7 ILE CG1 C -1.427 5.794 -1.783 1.00 . A A . 7 ILE CG1 1 1 9 2531 1 1 7 ILE CG2 C 0.189 5.621 0.123 1.00 . A A . 7 ILE CG2 1 1 9 2532 1 1 7 ILE H H -2.039 2.762 -1.667 1.00 . A A . 7 ILE H 1 1 9 2533 1 1 7 ILE HA H 0.438 3.990 -2.289 1.00 . A A . 7 ILE HA 1 1 9 2534 1 1 7 ILE HB H -1.584 4.476 -0.099 1.00 . A A . 7 ILE HB 1 1 9 2535 1 1 7 ILE HD11 H -2.364 4.327 -3.015 1.00 . A A . 7 ILE HD11 1 1 9 2536 1 1 7 ILE HD12 H -3.014 5.956 -3.199 1.00 . A A . 7 ILE HD12 1 1 9 2537 1 1 7 ILE HD13 H -3.408 5.005 -1.767 1.00 . A A . 7 ILE HD13 1 1 9 2538 1 1 7 ILE HG12 H -1.731 6.704 -1.290 1.00 . A A . 7 ILE HG12 1 1 9 2539 1 1 7 ILE HG13 H -0.686 6.030 -2.532 1.00 . A A . 7 ILE HG13 1 1 9 2540 1 1 7 ILE HG21 H 1.003 5.976 -0.489 1.00 . A A . 7 ILE HG21 1 1 9 2541 1 1 7 ILE HG22 H 0.574 4.968 0.893 1.00 . A A . 7 ILE HG22 1 1 9 2542 1 1 7 ILE HG23 H -0.311 6.460 0.581 1.00 . A A . 7 ILE HG23 1 1 9 2543 1 1 7 ILE N N -1.093 2.653 -1.902 1.00 . A A . 7 ILE N 1 1 9 2544 1 1 7 ILE O O 2.057 3.167 -0.525 1.00 . A A . 7 ILE O 1 1 9 2545 1 1 8 ARG C C 1.933 0.284 0.514 1.00 . A A . 8 ARG C 1 1 9 2546 1 1 8 ARG CA C 1.108 1.303 1.298 1.00 . A A . 8 ARG CA 1 1 9 2547 1 1 8 ARG CB C 0.208 0.589 2.305 1.00 . A A . 8 ARG CB 1 1 9 2548 1 1 8 ARG CD C 0.289 2.366 4.083 1.00 . A A . 8 ARG CD 1 1 9 2549 1 1 8 ARG CG C -0.604 1.537 3.173 1.00 . A A . 8 ARG CG 1 1 9 2550 1 1 8 ARG CZ C 2.226 1.898 5.543 1.00 . A A . 8 ARG CZ 1 1 9 2551 1 1 8 ARG H H -0.676 2.015 0.411 1.00 . A A . 8 ARG H 1 1 9 2552 1 1 8 ARG HA H 1.780 1.963 1.831 1.00 . A A . 8 ARG HA 1 1 9 2553 1 1 8 ARG HB2 H -0.477 -0.050 1.768 1.00 . A A . 8 ARG HB2 1 1 9 2554 1 1 8 ARG HB3 H 0.823 -0.019 2.952 1.00 . A A . 8 ARG HB3 1 1 9 2555 1 1 8 ARG HD2 H 0.963 2.946 3.471 1.00 . A A . 8 ARG HD2 1 1 9 2556 1 1 8 ARG HD3 H -0.329 3.031 4.666 1.00 . A A . 8 ARG HD3 1 1 9 2557 1 1 8 ARG HE H 0.718 0.630 5.194 1.00 . A A . 8 ARG HE 1 1 9 2558 1 1 8 ARG HG2 H -1.166 2.203 2.535 1.00 . A A . 8 ARG HG2 1 1 9 2559 1 1 8 ARG HG3 H -1.283 0.960 3.779 1.00 . A A . 8 ARG HG3 1 1 9 2560 1 1 8 ARG HH11 H 2.244 3.745 4.702 1.00 . A A . 8 ARG HH11 1 1 9 2561 1 1 8 ARG HH12 H 3.602 3.379 5.719 1.00 . A A . 8 ARG HH12 1 1 9 2562 1 1 8 ARG HH21 H 2.490 0.152 6.540 1.00 . A A . 8 ARG HH21 1 1 9 2563 1 1 8 ARG HH22 H 3.747 1.332 6.756 1.00 . A A . 8 ARG HH22 1 1 9 2564 1 1 8 ARG N N 0.300 2.104 0.388 1.00 . A A . 8 ARG N 1 1 9 2565 1 1 8 ARG NE N 1.074 1.527 4.990 1.00 . A A . 8 ARG NE 1 1 9 2566 1 1 8 ARG NH1 N 2.730 3.103 5.302 1.00 . A A . 8 ARG NH1 1 1 9 2567 1 1 8 ARG NH2 N 2.872 1.062 6.346 1.00 . A A . 8 ARG NH2 1 1 9 2568 1 1 8 ARG O O 2.964 -0.183 0.984 1.00 . A A . 8 ARG O 1 1 9 2569 1 1 9 LYS C C 3.463 -0.314 -2.064 1.00 . A A . 9 LYS C 1 1 9 2570 1 1 9 LYS CA C 2.179 -0.958 -1.571 1.00 . A A . 9 LYS CA 1 1 9 2571 1 1 9 LYS CB C 1.306 -1.332 -2.764 1.00 . A A . 9 LYS CB 1 1 9 2572 1 1 9 LYS CD C 1.789 -3.773 -2.599 1.00 . A A . 9 LYS CD 1 1 9 2573 1 1 9 LYS CE C 2.195 -5.024 -3.354 1.00 . A A . 9 LYS CE 1 1 9 2574 1 1 9 LYS CG C 1.794 -2.557 -3.502 1.00 . A A . 9 LYS CG 1 1 9 2575 1 1 9 LYS H H 0.624 0.350 -0.992 1.00 . A A . 9 LYS H 1 1 9 2576 1 1 9 LYS HA H 2.417 -1.849 -1.017 1.00 . A A . 9 LYS HA 1 1 9 2577 1 1 9 LYS HB2 H 0.302 -1.521 -2.417 1.00 . A A . 9 LYS HB2 1 1 9 2578 1 1 9 LYS HB3 H 1.293 -0.501 -3.457 1.00 . A A . 9 LYS HB3 1 1 9 2579 1 1 9 LYS HD2 H 2.481 -3.610 -1.787 1.00 . A A . 9 LYS HD2 1 1 9 2580 1 1 9 LYS HD3 H 0.791 -3.904 -2.206 1.00 . A A . 9 LYS HD3 1 1 9 2581 1 1 9 LYS HE2 H 1.453 -5.229 -4.109 1.00 . A A . 9 LYS HE2 1 1 9 2582 1 1 9 LYS HE3 H 3.149 -4.851 -3.827 1.00 . A A . 9 LYS HE3 1 1 9 2583 1 1 9 LYS HG2 H 1.142 -2.739 -4.335 1.00 . A A . 9 LYS HG2 1 1 9 2584 1 1 9 LYS HG3 H 2.799 -2.382 -3.856 1.00 . A A . 9 LYS HG3 1 1 9 2585 1 1 9 LYS HZ1 H 1.395 -6.392 -1.998 1.00 . A A . 9 LYS HZ1 1 1 9 2586 1 1 9 LYS HZ2 H 3.022 -6.028 -1.724 1.00 . A A . 9 LYS HZ2 1 1 9 2587 1 1 9 LYS HZ3 H 2.588 -7.042 -3.002 1.00 . A A . 9 LYS HZ3 1 1 9 2588 1 1 9 LYS N N 1.471 -0.039 -0.689 1.00 . A A . 9 LYS N 1 1 9 2589 1 1 9 LYS NZ N 2.308 -6.202 -2.456 1.00 . A A . 9 LYS NZ 1 1 9 2590 1 1 9 LYS O O 4.480 -0.979 -2.242 1.00 . A A . 9 LYS O 1 1 9 2591 1 1 10 PHE C C 5.560 1.794 -1.529 1.00 . A A . 10 PHE C 1 1 9 2592 1 1 10 PHE CA C 4.557 1.774 -2.667 1.00 . A A . 10 PHE CA 1 1 9 2593 1 1 10 PHE CB C 4.135 3.203 -2.994 1.00 . A A . 10 PHE CB 1 1 9 2594 1 1 10 PHE CD1 C 2.960 2.270 -5.008 1.00 . A A . 10 PHE CD1 1 1 9 2595 1 1 10 PHE CD2 C 2.379 4.456 -4.260 1.00 . A A . 10 PHE CD2 1 1 9 2596 1 1 10 PHE CE1 C 2.046 2.375 -6.038 1.00 . A A . 10 PHE CE1 1 1 9 2597 1 1 10 PHE CE2 C 1.461 4.567 -5.286 1.00 . A A . 10 PHE CE2 1 1 9 2598 1 1 10 PHE CG C 3.135 3.309 -4.109 1.00 . A A . 10 PHE CG 1 1 9 2599 1 1 10 PHE CZ C 1.295 3.524 -6.176 1.00 . A A . 10 PHE CZ 1 1 9 2600 1 1 10 PHE H H 2.531 1.443 -2.179 1.00 . A A . 10 PHE H 1 1 9 2601 1 1 10 PHE HA H 5.007 1.321 -3.536 1.00 . A A . 10 PHE HA 1 1 9 2602 1 1 10 PHE HB2 H 3.686 3.642 -2.114 1.00 . A A . 10 PHE HB2 1 1 9 2603 1 1 10 PHE HB3 H 5.007 3.775 -3.269 1.00 . A A . 10 PHE HB3 1 1 9 2604 1 1 10 PHE HD1 H 3.540 1.368 -4.893 1.00 . A A . 10 PHE HD1 1 1 9 2605 1 1 10 PHE HD2 H 2.510 5.270 -3.562 1.00 . A A . 10 PHE HD2 1 1 9 2606 1 1 10 PHE HE1 H 1.919 1.559 -6.732 1.00 . A A . 10 PHE HE1 1 1 9 2607 1 1 10 PHE HE2 H 0.874 5.466 -5.392 1.00 . A A . 10 PHE HE2 1 1 9 2608 1 1 10 PHE HZ H 0.581 3.608 -6.980 1.00 . A A . 10 PHE HZ 1 1 9 2609 1 1 10 PHE N N 3.395 0.991 -2.279 1.00 . A A . 10 PHE N 1 1 9 2610 1 1 10 PHE O O 6.772 1.821 -1.736 1.00 . A A . 10 PHE O 1 1 9 2611 1 1 11 ILE C C 6.398 0.371 1.096 1.00 . A A . 11 ILE C 1 1 9 2612 1 1 11 ILE CA C 5.814 1.755 0.896 1.00 . A A . 11 ILE CA 1 1 9 2613 1 1 11 ILE CB C 4.965 2.185 2.117 1.00 . A A . 11 ILE CB 1 1 9 2614 1 1 11 ILE CD1 C 4.591 4.360 0.846 1.00 . A A . 11 ILE CD1 1 1 9 2615 1 1 11 ILE CG1 C 4.862 3.713 2.182 1.00 . A A . 11 ILE CG1 1 1 9 2616 1 1 11 ILE CG2 C 5.561 1.653 3.403 1.00 . A A . 11 ILE CG2 1 1 9 2617 1 1 11 ILE H H 4.041 1.815 -0.258 1.00 . A A . 11 ILE H 1 1 9 2618 1 1 11 ILE HA H 6.628 2.455 0.789 1.00 . A A . 11 ILE HA 1 1 9 2619 1 1 11 ILE HB H 3.977 1.770 2.007 1.00 . A A . 11 ILE HB 1 1 9 2620 1 1 11 ILE HD11 H 5.333 4.007 0.130 1.00 . A A . 11 ILE HD11 1 1 9 2621 1 1 11 ILE HD12 H 4.653 5.433 0.939 1.00 . A A . 11 ILE HD12 1 1 9 2622 1 1 11 ILE HD13 H 3.607 4.078 0.504 1.00 . A A . 11 ILE HD13 1 1 9 2623 1 1 11 ILE HG12 H 4.057 3.984 2.848 1.00 . A A . 11 ILE HG12 1 1 9 2624 1 1 11 ILE HG13 H 5.790 4.113 2.563 1.00 . A A . 11 ILE HG13 1 1 9 2625 1 1 11 ILE HG21 H 6.584 1.991 3.481 1.00 . A A . 11 ILE HG21 1 1 9 2626 1 1 11 ILE HG22 H 5.533 0.575 3.389 1.00 . A A . 11 ILE HG22 1 1 9 2627 1 1 11 ILE HG23 H 4.990 2.021 4.241 1.00 . A A . 11 ILE HG23 1 1 9 2628 1 1 11 ILE N N 5.020 1.785 -0.327 1.00 . A A . 11 ILE N 1 1 9 2629 1 1 11 ILE O O 7.537 0.217 1.535 1.00 . A A . 11 ILE O 1 1 9 2630 1 1 12 LYS C C 7.075 -2.165 -0.460 1.00 . A A . 12 LYS C 1 1 9 2631 1 1 12 LYS CA C 6.109 -2.000 0.701 1.00 . A A . 12 LYS CA 1 1 9 2632 1 1 12 LYS CB C 4.952 -2.994 0.588 1.00 . A A . 12 LYS CB 1 1 9 2633 1 1 12 LYS CD C 2.922 -4.013 1.656 1.00 . A A . 12 LYS CD 1 1 9 2634 1 1 12 LYS CE C 2.001 -4.001 2.866 1.00 . A A . 12 LYS CE 1 1 9 2635 1 1 12 LYS CG C 4.048 -3.007 1.807 1.00 . A A . 12 LYS CG 1 1 9 2636 1 1 12 LYS H H 4.694 -0.435 0.445 1.00 . A A . 12 LYS H 1 1 9 2637 1 1 12 LYS HA H 6.640 -2.178 1.625 1.00 . A A . 12 LYS HA 1 1 9 2638 1 1 12 LYS HB2 H 4.356 -2.736 -0.277 1.00 . A A . 12 LYS HB2 1 1 9 2639 1 1 12 LYS HB3 H 5.355 -3.986 0.453 1.00 . A A . 12 LYS HB3 1 1 9 2640 1 1 12 LYS HD2 H 2.349 -3.767 0.774 1.00 . A A . 12 LYS HD2 1 1 9 2641 1 1 12 LYS HD3 H 3.346 -5.000 1.548 1.00 . A A . 12 LYS HD3 1 1 9 2642 1 1 12 LYS HE2 H 2.578 -4.243 3.745 1.00 . A A . 12 LYS HE2 1 1 9 2643 1 1 12 LYS HE3 H 1.581 -3.012 2.973 1.00 . A A . 12 LYS HE3 1 1 9 2644 1 1 12 LYS HG2 H 4.636 -3.267 2.675 1.00 . A A . 12 LYS HG2 1 1 9 2645 1 1 12 LYS HG3 H 3.625 -2.021 1.939 1.00 . A A . 12 LYS HG3 1 1 9 2646 1 1 12 LYS HZ1 H 0.356 -4.799 1.860 1.00 . A A . 12 LYS HZ1 1 1 9 2647 1 1 12 LYS HZ2 H 0.249 -4.916 3.542 1.00 . A A . 12 LYS HZ2 1 1 9 2648 1 1 12 LYS HZ3 H 1.274 -5.950 2.688 1.00 . A A . 12 LYS HZ3 1 1 9 2649 1 1 12 LYS N N 5.622 -0.629 0.721 1.00 . A A . 12 LYS N 1 1 9 2650 1 1 12 LYS NZ N 0.894 -4.984 2.729 1.00 . A A . 12 LYS NZ 1 1 9 2651 1 1 12 LYS O O 7.797 -3.158 -0.560 1.00 . A A . 12 LYS O 1 1 9 2652 1 1 13 GLY C C 9.321 -0.482 -1.937 1.00 . A A . 13 GLY C 1 1 9 2653 1 1 13 GLY CA C 8.024 -1.103 -2.409 1.00 . A A . 13 GLY CA 1 1 9 2654 1 1 13 GLY H H 6.366 -0.490 -1.270 1.00 . A A . 13 GLY H 1 1 9 2655 1 1 13 GLY HA2 H 8.221 -2.101 -2.775 1.00 . A A . 13 GLY HA2 1 1 9 2656 1 1 13 GLY HA3 H 7.617 -0.504 -3.210 1.00 . A A . 13 GLY HA3 1 1 9 2657 1 1 13 GLY N N 7.060 -1.178 -1.343 1.00 . A A . 13 GLY N 1 1 9 2658 1 1 13 GLY O O 10.398 -0.901 -2.360 1.00 . A A . 13 GLY O 1 1 9 2659 1 1 14 PHE C C 11.166 0.070 0.334 1.00 . A A . 14 PHE C 1 1 9 2660 1 1 14 PHE CA C 10.390 1.113 -0.451 1.00 . A A . 14 PHE CA 1 1 9 2661 1 1 14 PHE CB C 9.952 2.213 0.494 1.00 . A A . 14 PHE CB 1 1 9 2662 1 1 14 PHE CD1 C 9.762 3.850 -1.400 1.00 . A A . 14 PHE CD1 1 1 9 2663 1 1 14 PHE CD2 C 8.294 4.060 0.460 1.00 . A A . 14 PHE CD2 1 1 9 2664 1 1 14 PHE CE1 C 9.179 4.953 -1.992 1.00 . A A . 14 PHE CE1 1 1 9 2665 1 1 14 PHE CE2 C 7.704 5.164 -0.125 1.00 . A A . 14 PHE CE2 1 1 9 2666 1 1 14 PHE CG C 9.323 3.396 -0.169 1.00 . A A . 14 PHE CG 1 1 9 2667 1 1 14 PHE CZ C 8.147 5.611 -1.354 1.00 . A A . 14 PHE CZ 1 1 9 2668 1 1 14 PHE H H 8.345 0.905 -0.829 1.00 . A A . 14 PHE H 1 1 9 2669 1 1 14 PHE HA H 11.018 1.527 -1.222 1.00 . A A . 14 PHE HA 1 1 9 2670 1 1 14 PHE HB2 H 9.232 1.808 1.188 1.00 . A A . 14 PHE HB2 1 1 9 2671 1 1 14 PHE HB3 H 10.795 2.549 1.033 1.00 . A A . 14 PHE HB3 1 1 9 2672 1 1 14 PHE HD1 H 10.567 3.333 -1.899 1.00 . A A . 14 PHE HD1 1 1 9 2673 1 1 14 PHE HD2 H 7.952 3.704 1.424 1.00 . A A . 14 PHE HD2 1 1 9 2674 1 1 14 PHE HE1 H 9.529 5.302 -2.953 1.00 . A A . 14 PHE HE1 1 1 9 2675 1 1 14 PHE HE2 H 6.898 5.677 0.378 1.00 . A A . 14 PHE HE2 1 1 9 2676 1 1 14 PHE HZ H 7.688 6.472 -1.815 1.00 . A A . 14 PHE HZ 1 1 9 2677 1 1 14 PHE N N 9.225 0.527 -1.063 1.00 . A A . 14 PHE N 1 1 9 2678 1 1 14 PHE O O 12.305 -0.262 -0.002 1.00 . A A . 14 PHE O 1 1 9 2679 1 1 15 ILE C C 11.479 -2.708 1.432 1.00 . A A . 15 ILE C 1 1 9 2680 1 1 15 ILE CA C 11.140 -1.452 2.233 1.00 . A A . 15 ILE CA 1 1 9 2681 1 1 15 ILE CB C 10.241 -1.823 3.436 1.00 . A A . 15 ILE CB 1 1 9 2682 1 1 15 ILE CD1 C 7.929 -2.678 4.101 1.00 . A A . 15 ILE CD1 1 1 9 2683 1 1 15 ILE CG1 C 8.845 -2.254 2.972 1.00 . A A . 15 ILE CG1 1 1 9 2684 1 1 15 ILE CG2 C 10.144 -0.649 4.397 1.00 . A A . 15 ILE CG2 1 1 9 2685 1 1 15 ILE H H 9.629 -0.096 1.603 1.00 . A A . 15 ILE H 1 1 9 2686 1 1 15 ILE HA H 12.059 -1.040 2.622 1.00 . A A . 15 ILE HA 1 1 9 2687 1 1 15 ILE HB H 10.708 -2.644 3.961 1.00 . A A . 15 ILE HB 1 1 9 2688 1 1 15 ILE HD11 H 6.970 -2.968 3.698 1.00 . A A . 15 ILE HD11 1 1 9 2689 1 1 15 ILE HD12 H 7.798 -1.853 4.786 1.00 . A A . 15 ILE HD12 1 1 9 2690 1 1 15 ILE HD13 H 8.367 -3.513 4.625 1.00 . A A . 15 ILE HD13 1 1 9 2691 1 1 15 ILE HG12 H 8.376 -1.430 2.458 1.00 . A A . 15 ILE HG12 1 1 9 2692 1 1 15 ILE HG13 H 8.942 -3.088 2.292 1.00 . A A . 15 ILE HG13 1 1 9 2693 1 1 15 ILE HG21 H 9.515 -0.918 5.232 1.00 . A A . 15 ILE HG21 1 1 9 2694 1 1 15 ILE HG22 H 9.719 0.202 3.885 1.00 . A A . 15 ILE HG22 1 1 9 2695 1 1 15 ILE HG23 H 11.131 -0.396 4.756 1.00 . A A . 15 ILE HG23 1 1 9 2696 1 1 15 ILE N N 10.531 -0.433 1.386 1.00 . A A . 15 ILE N 1 1 9 2697 1 1 15 ILE O O 10.602 -3.379 0.883 1.00 . A A . 15 ILE O 1 1 9 2698 1 1 16 SER C C 14.349 -4.840 1.384 1.00 . A A . 16 SER C 1 1 9 2699 1 1 16 SER CA C 13.221 -4.170 0.615 1.00 . A A . 16 SER CA 1 1 9 2700 1 1 16 SER CB C 13.681 -3.758 -0.788 1.00 . A A . 16 SER CB 1 1 9 2701 1 1 16 SER H H 13.418 -2.436 1.795 1.00 . A A . 16 SER H 1 1 9 2702 1 1 16 SER HA H 12.395 -4.860 0.530 1.00 . A A . 16 SER HA 1 1 9 2703 1 1 16 SER HB2 H 12.938 -3.112 -1.232 1.00 . A A . 16 SER HB2 1 1 9 2704 1 1 16 SER HB3 H 14.618 -3.225 -0.712 1.00 . A A . 16 SER HB3 1 1 9 2705 1 1 16 SER HG H 14.210 -5.626 -1.114 1.00 . A A . 16 SER HG 1 1 9 2706 1 1 16 SER N N 12.761 -3.010 1.349 1.00 . A A . 16 SER N 1 1 9 2707 1 1 16 SER O O 15.521 -4.455 1.190 1.00 . A A . 16 SER O 1 1 9 2708 1 1 16 SER OXT O 14.056 -5.733 2.205 1.00 . A A . 16 SER OXT 1 1 9 2709 1 1 16 SER OG O 13.864 -4.885 -1.634 1.00 . A A . 16 SER OG 1 1 10 2710 1 1 1 LYS C C -9.762 2.371 0.002 1.00 . A A . 1 LYS C 1 1 10 2711 1 1 1 LYS CA C -10.793 3.476 -0.181 1.00 . A A . 1 LYS CA 1 1 10 2712 1 1 1 LYS CB C -10.082 4.765 -0.615 1.00 . A A . 1 LYS CB 1 1 10 2713 1 1 1 LYS CD C -11.895 5.668 -2.116 1.00 . A A . 1 LYS CD 1 1 10 2714 1 1 1 LYS CE C -12.739 6.884 -2.472 1.00 . A A . 1 LYS CE 1 1 10 2715 1 1 1 LYS CG C -11.014 5.934 -0.906 1.00 . A A . 1 LYS CG 1 1 10 2716 1 1 1 LYS H1 H -10.889 3.999 1.828 1.00 . A A . 1 LYS H1 1 1 10 2717 1 1 1 LYS H2 H -11.992 2.803 1.379 1.00 . A A . 1 LYS H2 1 1 10 2718 1 1 1 LYS H3 H -12.273 4.412 0.947 1.00 . A A . 1 LYS H3 1 1 10 2719 1 1 1 LYS HA H -11.493 3.177 -0.948 1.00 . A A . 1 LYS HA 1 1 10 2720 1 1 1 LYS HB2 H -9.403 5.065 0.167 1.00 . A A . 1 LYS HB2 1 1 10 2721 1 1 1 LYS HB3 H -9.511 4.559 -1.509 1.00 . A A . 1 LYS HB3 1 1 10 2722 1 1 1 LYS HD2 H -11.268 5.420 -2.958 1.00 . A A . 1 LYS HD2 1 1 10 2723 1 1 1 LYS HD3 H -12.551 4.839 -1.896 1.00 . A A . 1 LYS HD3 1 1 10 2724 1 1 1 LYS HE2 H -13.368 6.634 -3.313 1.00 . A A . 1 LYS HE2 1 1 10 2725 1 1 1 LYS HE3 H -13.359 7.135 -1.624 1.00 . A A . 1 LYS HE3 1 1 10 2726 1 1 1 LYS HG2 H -11.643 6.100 -0.045 1.00 . A A . 1 LYS HG2 1 1 10 2727 1 1 1 LYS HG3 H -10.420 6.816 -1.092 1.00 . A A . 1 LYS HG3 1 1 10 2728 1 1 1 LYS HZ1 H -12.514 8.882 -3.043 1.00 . A A . 1 LYS HZ1 1 1 10 2729 1 1 1 LYS HZ2 H -11.324 7.857 -3.667 1.00 . A A . 1 LYS HZ2 1 1 10 2730 1 1 1 LYS HZ3 H -11.275 8.316 -2.040 1.00 . A A . 1 LYS HZ3 1 1 10 2731 1 1 1 LYS N N -11.539 3.690 1.080 1.00 . A A . 1 LYS N 1 1 10 2732 1 1 1 LYS NZ N -11.906 8.065 -2.830 1.00 . A A . 1 LYS NZ 1 1 10 2733 1 1 1 LYS O O -8.963 2.412 0.932 1.00 . A A . 1 LYS O 1 1 10 2734 1 1 2 TRP C C -7.557 0.631 -1.540 1.00 . A A . 2 TRP C 1 1 10 2735 1 1 2 TRP CA C -8.855 0.277 -0.836 1.00 . A A . 2 TRP CA 1 1 10 2736 1 1 2 TRP CB C -9.474 -0.966 -1.481 1.00 . A A . 2 TRP CB 1 1 10 2737 1 1 2 TRP CD1 C -12.028 -1.072 -1.294 1.00 . A A . 2 TRP CD1 1 1 10 2738 1 1 2 TRP CD2 C -10.941 -2.195 0.308 1.00 . A A . 2 TRP CD2 1 1 10 2739 1 1 2 TRP CE2 C -12.324 -2.331 0.526 1.00 . A A . 2 TRP CE2 1 1 10 2740 1 1 2 TRP CE3 C -10.058 -2.820 1.195 1.00 . A A . 2 TRP CE3 1 1 10 2741 1 1 2 TRP CG C -10.772 -1.385 -0.859 1.00 . A A . 2 TRP CG 1 1 10 2742 1 1 2 TRP CH2 C -11.958 -3.662 2.431 1.00 . A A . 2 TRP CH2 1 1 10 2743 1 1 2 TRP CZ2 C -12.839 -3.065 1.588 1.00 . A A . 2 TRP CZ2 1 1 10 2744 1 1 2 TRP CZ3 C -10.578 -3.548 2.247 1.00 . A A . 2 TRP CZ3 1 1 10 2745 1 1 2 TRP H H -10.445 1.414 -1.607 1.00 . A A . 2 TRP H 1 1 10 2746 1 1 2 TRP HA H -8.643 0.074 0.198 1.00 . A A . 2 TRP HA 1 1 10 2747 1 1 2 TRP HB2 H -9.657 -0.765 -2.527 1.00 . A A . 2 TRP HB2 1 1 10 2748 1 1 2 TRP HB3 H -8.781 -1.788 -1.394 1.00 . A A . 2 TRP HB3 1 1 10 2749 1 1 2 TRP HD1 H -12.238 -0.466 -2.162 1.00 . A A . 2 TRP HD1 1 1 10 2750 1 1 2 TRP HE1 H -13.942 -1.554 -0.567 1.00 . A A . 2 TRP HE1 1 1 10 2751 1 1 2 TRP HE3 H -8.988 -2.742 1.067 1.00 . A A . 2 TRP HE3 1 1 10 2752 1 1 2 TRP HH2 H -12.324 -4.236 3.262 1.00 . A A . 2 TRP HH2 1 1 10 2753 1 1 2 TRP HZ2 H -13.895 -3.173 1.756 1.00 . A A . 2 TRP HZ2 1 1 10 2754 1 1 2 TRP HZ3 H -9.916 -4.039 2.944 1.00 . A A . 2 TRP HZ3 1 1 10 2755 1 1 2 TRP N N -9.785 1.390 -0.890 1.00 . A A . 2 TRP N 1 1 10 2756 1 1 2 TRP NE1 N -12.967 -1.636 -0.465 1.00 . A A . 2 TRP NE1 1 1 10 2757 1 1 2 TRP O O -6.567 -0.095 -1.442 1.00 . A A . 2 TRP O 1 1 10 2758 1 1 3 ALA C C -5.283 2.657 -2.005 1.00 . A A . 3 ALA C 1 1 10 2759 1 1 3 ALA CA C -6.375 2.193 -2.965 1.00 . A A . 3 ALA CA 1 1 10 2760 1 1 3 ALA CB C -6.712 3.285 -3.964 1.00 . A A . 3 ALA CB 1 1 10 2761 1 1 3 ALA H H -8.378 2.295 -2.291 1.00 . A A . 3 ALA H 1 1 10 2762 1 1 3 ALA HA H -6.004 1.346 -3.519 1.00 . A A . 3 ALA HA 1 1 10 2763 1 1 3 ALA HB1 H -5.879 3.411 -4.644 1.00 . A A . 3 ALA HB1 1 1 10 2764 1 1 3 ALA HB2 H -6.892 4.210 -3.439 1.00 . A A . 3 ALA HB2 1 1 10 2765 1 1 3 ALA HB3 H -7.592 3.006 -4.522 1.00 . A A . 3 ALA HB3 1 1 10 2766 1 1 3 ALA N N -7.559 1.755 -2.245 1.00 . A A . 3 ALA N 1 1 10 2767 1 1 3 ALA O O -4.146 2.869 -2.411 1.00 . A A . 3 ALA O 1 1 10 2768 1 1 4 VAL C C -3.615 2.017 0.399 1.00 . A A . 4 VAL C 1 1 10 2769 1 1 4 VAL CA C -4.640 3.139 0.277 1.00 . A A . 4 VAL CA 1 1 10 2770 1 1 4 VAL CB C -5.306 3.384 1.641 1.00 . A A . 4 VAL CB 1 1 10 2771 1 1 4 VAL CG1 C -4.281 3.774 2.669 1.00 . A A . 4 VAL CG1 1 1 10 2772 1 1 4 VAL CG2 C -6.358 4.464 1.543 1.00 . A A . 4 VAL CG2 1 1 10 2773 1 1 4 VAL H H -6.549 2.679 -0.452 1.00 . A A . 4 VAL H 1 1 10 2774 1 1 4 VAL HA H -4.141 4.046 -0.032 1.00 . A A . 4 VAL HA 1 1 10 2775 1 1 4 VAL HB H -5.782 2.471 1.960 1.00 . A A . 4 VAL HB 1 1 10 2776 1 1 4 VAL HG11 H -3.559 2.981 2.769 1.00 . A A . 4 VAL HG11 1 1 10 2777 1 1 4 VAL HG12 H -4.776 3.943 3.610 1.00 . A A . 4 VAL HG12 1 1 10 2778 1 1 4 VAL HG13 H -3.790 4.677 2.347 1.00 . A A . 4 VAL HG13 1 1 10 2779 1 1 4 VAL HG21 H -7.141 4.150 0.870 1.00 . A A . 4 VAL HG21 1 1 10 2780 1 1 4 VAL HG22 H -5.903 5.371 1.175 1.00 . A A . 4 VAL HG22 1 1 10 2781 1 1 4 VAL HG23 H -6.771 4.643 2.524 1.00 . A A . 4 VAL HG23 1 1 10 2782 1 1 4 VAL N N -5.622 2.800 -0.727 1.00 . A A . 4 VAL N 1 1 10 2783 1 1 4 VAL O O -2.422 2.263 0.586 1.00 . A A . 4 VAL O 1 1 10 2784 1 1 5 ARG C C -2.278 -0.361 -0.955 1.00 . A A . 5 ARG C 1 1 10 2785 1 1 5 ARG CA C -3.189 -0.378 0.268 1.00 . A A . 5 ARG CA 1 1 10 2786 1 1 5 ARG CB C -3.979 -1.688 0.327 1.00 . A A . 5 ARG CB 1 1 10 2787 1 1 5 ARG CD C -3.915 -1.805 2.842 1.00 . A A . 5 ARG CD 1 1 10 2788 1 1 5 ARG CG C -4.793 -1.854 1.601 1.00 . A A . 5 ARG CG 1 1 10 2789 1 1 5 ARG CZ C -4.171 -1.968 5.294 1.00 . A A . 5 ARG CZ 1 1 10 2790 1 1 5 ARG H H -5.056 0.636 0.144 1.00 . A A . 5 ARG H 1 1 10 2791 1 1 5 ARG HA H -2.574 -0.302 1.151 1.00 . A A . 5 ARG HA 1 1 10 2792 1 1 5 ARG HB2 H -4.655 -1.724 -0.515 1.00 . A A . 5 ARG HB2 1 1 10 2793 1 1 5 ARG HB3 H -3.288 -2.515 0.257 1.00 . A A . 5 ARG HB3 1 1 10 2794 1 1 5 ARG HD2 H -3.211 -2.621 2.802 1.00 . A A . 5 ARG HD2 1 1 10 2795 1 1 5 ARG HD3 H -3.378 -0.868 2.852 1.00 . A A . 5 ARG HD3 1 1 10 2796 1 1 5 ARG HE H -5.679 -1.943 3.977 1.00 . A A . 5 ARG HE 1 1 10 2797 1 1 5 ARG HG2 H -5.518 -1.060 1.656 1.00 . A A . 5 ARG HG2 1 1 10 2798 1 1 5 ARG HG3 H -5.302 -2.805 1.569 1.00 . A A . 5 ARG HG3 1 1 10 2799 1 1 5 ARG HH11 H -2.243 -1.908 4.667 1.00 . A A . 5 ARG HH11 1 1 10 2800 1 1 5 ARG HH12 H -2.464 -1.987 6.385 1.00 . A A . 5 ARG HH12 1 1 10 2801 1 1 5 ARG HH21 H -5.960 -2.068 6.243 1.00 . A A . 5 ARG HH21 1 1 10 2802 1 1 5 ARG HH22 H -4.569 -2.085 7.278 1.00 . A A . 5 ARG HH22 1 1 10 2803 1 1 5 ARG N N -4.083 0.777 0.256 1.00 . A A . 5 ARG N 1 1 10 2804 1 1 5 ARG NE N -4.698 -1.915 4.071 1.00 . A A . 5 ARG NE 1 1 10 2805 1 1 5 ARG NH1 N -2.853 -1.955 5.461 1.00 . A A . 5 ARG NH1 1 1 10 2806 1 1 5 ARG NH2 N -4.965 -2.045 6.356 1.00 . A A . 5 ARG NH2 1 1 10 2807 1 1 5 ARG O O -1.242 -1.020 -0.979 1.00 . A A . 5 ARG O 1 1 10 2808 1 1 6 ILE C C -0.683 1.509 -2.830 1.00 . A A . 6 ILE C 1 1 10 2809 1 1 6 ILE CA C -1.861 0.592 -3.162 1.00 . A A . 6 ILE CA 1 1 10 2810 1 1 6 ILE CB C -2.697 1.203 -4.324 1.00 . A A . 6 ILE CB 1 1 10 2811 1 1 6 ILE CD1 C -4.371 -0.743 -4.043 1.00 . A A . 6 ILE CD1 1 1 10 2812 1 1 6 ILE CG1 C -3.621 0.169 -4.992 1.00 . A A . 6 ILE CG1 1 1 10 2813 1 1 6 ILE CG2 C -1.785 1.816 -5.375 1.00 . A A . 6 ILE CG2 1 1 10 2814 1 1 6 ILE H H -3.535 0.863 -1.900 1.00 . A A . 6 ILE H 1 1 10 2815 1 1 6 ILE HA H -1.480 -0.377 -3.472 1.00 . A A . 6 ILE HA 1 1 10 2816 1 1 6 ILE HB H -3.302 1.996 -3.912 1.00 . A A . 6 ILE HB 1 1 10 2817 1 1 6 ILE HD11 H -5.076 -1.341 -4.599 1.00 . A A . 6 ILE HD11 1 1 10 2818 1 1 6 ILE HD12 H -4.897 -0.150 -3.311 1.00 . A A . 6 ILE HD12 1 1 10 2819 1 1 6 ILE HD13 H -3.670 -1.393 -3.540 1.00 . A A . 6 ILE HD13 1 1 10 2820 1 1 6 ILE HG12 H -4.362 0.701 -5.574 1.00 . A A . 6 ILE HG12 1 1 10 2821 1 1 6 ILE HG13 H -3.032 -0.450 -5.654 1.00 . A A . 6 ILE HG13 1 1 10 2822 1 1 6 ILE HG21 H -2.383 2.237 -6.170 1.00 . A A . 6 ILE HG21 1 1 10 2823 1 1 6 ILE HG22 H -1.137 1.051 -5.778 1.00 . A A . 6 ILE HG22 1 1 10 2824 1 1 6 ILE HG23 H -1.186 2.592 -4.923 1.00 . A A . 6 ILE HG23 1 1 10 2825 1 1 6 ILE N N -2.672 0.403 -1.963 1.00 . A A . 6 ILE N 1 1 10 2826 1 1 6 ILE O O 0.443 1.282 -3.267 1.00 . A A . 6 ILE O 1 1 10 2827 1 1 7 ILE C C 1.019 2.553 -0.607 1.00 . A A . 7 ILE C 1 1 10 2828 1 1 7 ILE CA C 0.121 3.386 -1.512 1.00 . A A . 7 ILE CA 1 1 10 2829 1 1 7 ILE CB C -0.423 4.614 -0.730 1.00 . A A . 7 ILE CB 1 1 10 2830 1 1 7 ILE CD1 C -2.261 5.318 -2.369 1.00 . A A . 7 ILE CD1 1 1 10 2831 1 1 7 ILE CG1 C -0.963 5.685 -1.686 1.00 . A A . 7 ILE CG1 1 1 10 2832 1 1 7 ILE CG2 C 0.654 5.217 0.164 1.00 . A A . 7 ILE CG2 1 1 10 2833 1 1 7 ILE H H -1.879 2.738 -1.800 1.00 . A A . 7 ILE H 1 1 10 2834 1 1 7 ILE HA H 0.708 3.743 -2.350 1.00 . A A . 7 ILE HA 1 1 10 2835 1 1 7 ILE HB H -1.228 4.275 -0.096 1.00 . A A . 7 ILE HB 1 1 10 2836 1 1 7 ILE HD11 H -2.111 4.441 -2.979 1.00 . A A . 7 ILE HD11 1 1 10 2837 1 1 7 ILE HD12 H -2.585 6.140 -2.991 1.00 . A A . 7 ILE HD12 1 1 10 2838 1 1 7 ILE HD13 H -3.015 5.112 -1.625 1.00 . A A . 7 ILE HD13 1 1 10 2839 1 1 7 ILE HG12 H -1.130 6.597 -1.135 1.00 . A A . 7 ILE HG12 1 1 10 2840 1 1 7 ILE HG13 H -0.226 5.869 -2.454 1.00 . A A . 7 ILE HG13 1 1 10 2841 1 1 7 ILE HG21 H 1.489 5.535 -0.444 1.00 . A A . 7 ILE HG21 1 1 10 2842 1 1 7 ILE HG22 H 0.988 4.474 0.874 1.00 . A A . 7 ILE HG22 1 1 10 2843 1 1 7 ILE HG23 H 0.249 6.066 0.694 1.00 . A A . 7 ILE HG23 1 1 10 2844 1 1 7 ILE N N -0.948 2.540 -2.035 1.00 . A A . 7 ILE N 1 1 10 2845 1 1 7 ILE O O 2.244 2.662 -0.650 1.00 . A A . 7 ILE O 1 1 10 2846 1 1 8 ARG C C 1.947 -0.205 0.185 1.00 . A A . 8 ARG C 1 1 10 2847 1 1 8 ARG CA C 1.133 0.762 1.035 1.00 . A A . 8 ARG CA 1 1 10 2848 1 1 8 ARG CB C 0.184 -0.026 1.937 1.00 . A A . 8 ARG CB 1 1 10 2849 1 1 8 ARG CD C 0.208 1.676 3.795 1.00 . A A . 8 ARG CD 1 1 10 2850 1 1 8 ARG CG C -0.653 0.840 2.861 1.00 . A A . 8 ARG CG 1 1 10 2851 1 1 8 ARG CZ C -0.185 3.527 5.380 1.00 . A A . 8 ARG CZ 1 1 10 2852 1 1 8 ARG H H -0.587 1.687 0.210 1.00 . A A . 8 ARG H 1 1 10 2853 1 1 8 ARG HA H 1.809 1.338 1.650 1.00 . A A . 8 ARG HA 1 1 10 2854 1 1 8 ARG HB2 H -0.486 -0.601 1.316 1.00 . A A . 8 ARG HB2 1 1 10 2855 1 1 8 ARG HB3 H 0.766 -0.705 2.544 1.00 . A A . 8 ARG HB3 1 1 10 2856 1 1 8 ARG HD2 H 0.859 1.018 4.353 1.00 . A A . 8 ARG HD2 1 1 10 2857 1 1 8 ARG HD3 H 0.803 2.357 3.205 1.00 . A A . 8 ARG HD3 1 1 10 2858 1 1 8 ARG HE H -1.528 2.127 4.886 1.00 . A A . 8 ARG HE 1 1 10 2859 1 1 8 ARG HG2 H -1.262 1.502 2.264 1.00 . A A . 8 ARG HG2 1 1 10 2860 1 1 8 ARG HG3 H -1.290 0.201 3.453 1.00 . A A . 8 ARG HG3 1 1 10 2861 1 1 8 ARG HH11 H 1.666 3.521 4.557 1.00 . A A . 8 ARG HH11 1 1 10 2862 1 1 8 ARG HH12 H 1.364 4.799 5.683 1.00 . A A . 8 ARG HH12 1 1 10 2863 1 1 8 ARG HH21 H -1.932 3.815 6.367 1.00 . A A . 8 ARG HH21 1 1 10 2864 1 1 8 ARG HH22 H -0.687 4.974 6.707 1.00 . A A . 8 ARG HH22 1 1 10 2865 1 1 8 ARG N N 0.396 1.690 0.187 1.00 . A A . 8 ARG N 1 1 10 2866 1 1 8 ARG NE N -0.608 2.444 4.731 1.00 . A A . 8 ARG NE 1 1 10 2867 1 1 8 ARG NH1 N 1.047 3.985 5.189 1.00 . A A . 8 ARG NH1 1 1 10 2868 1 1 8 ARG NH2 N -0.999 4.155 6.219 1.00 . A A . 8 ARG NH2 1 1 10 2869 1 1 8 ARG O O 2.961 -0.729 0.632 1.00 . A A . 8 ARG O 1 1 10 2870 1 1 9 LYS C C 3.539 -0.669 -2.330 1.00 . A A . 9 LYS C 1 1 10 2871 1 1 9 LYS CA C 2.209 -1.295 -1.973 1.00 . A A . 9 LYS CA 1 1 10 2872 1 1 9 LYS CB C 1.394 -1.512 -3.245 1.00 . A A . 9 LYS CB 1 1 10 2873 1 1 9 LYS CD C 1.567 -3.988 -3.112 1.00 . A A . 9 LYS CD 1 1 10 2874 1 1 9 LYS CE C 1.768 -5.278 -3.888 1.00 . A A . 9 LYS CE 1 1 10 2875 1 1 9 LYS CG C 1.775 -2.771 -3.989 1.00 . A A . 9 LYS CG 1 1 10 2876 1 1 9 LYS H H 0.667 0.003 -1.339 1.00 . A A . 9 LYS H 1 1 10 2877 1 1 9 LYS HA H 2.378 -2.244 -1.494 1.00 . A A . 9 LYS HA 1 1 10 2878 1 1 9 LYS HB2 H 0.347 -1.571 -2.988 1.00 . A A . 9 LYS HB2 1 1 10 2879 1 1 9 LYS HB3 H 1.552 -0.667 -3.905 1.00 . A A . 9 LYS HB3 1 1 10 2880 1 1 9 LYS HD2 H 2.276 -3.953 -2.295 1.00 . A A . 9 LYS HD2 1 1 10 2881 1 1 9 LYS HD3 H 0.558 -3.958 -2.722 1.00 . A A . 9 LYS HD3 1 1 10 2882 1 1 9 LYS HE2 H 1.035 -5.326 -4.679 1.00 . A A . 9 LYS HE2 1 1 10 2883 1 1 9 LYS HE3 H 2.759 -5.274 -4.317 1.00 . A A . 9 LYS HE3 1 1 10 2884 1 1 9 LYS HG2 H 1.159 -2.860 -4.865 1.00 . A A . 9 LYS HG2 1 1 10 2885 1 1 9 LYS HG3 H 2.814 -2.714 -4.273 1.00 . A A . 9 LYS HG3 1 1 10 2886 1 1 9 LYS HZ1 H 1.652 -7.343 -3.599 1.00 . A A . 9 LYS HZ1 1 1 10 2887 1 1 9 LYS HZ2 H 0.717 -6.450 -2.511 1.00 . A A . 9 LYS HZ2 1 1 10 2888 1 1 9 LYS HZ3 H 2.396 -6.517 -2.328 1.00 . A A . 9 LYS HZ3 1 1 10 2889 1 1 9 LYS N N 1.498 -0.430 -1.046 1.00 . A A . 9 LYS N 1 1 10 2890 1 1 9 LYS NZ N 1.621 -6.479 -3.022 1.00 . A A . 9 LYS NZ 1 1 10 2891 1 1 9 LYS O O 4.564 -1.344 -2.413 1.00 . A A . 9 LYS O 1 1 10 2892 1 1 10 PHE C C 5.634 1.374 -1.615 1.00 . A A . 10 PHE C 1 1 10 2893 1 1 10 PHE CA C 4.702 1.408 -2.813 1.00 . A A . 10 PHE CA 1 1 10 2894 1 1 10 PHE CB C 4.331 2.851 -3.139 1.00 . A A . 10 PHE CB 1 1 10 2895 1 1 10 PHE CD1 C 2.411 4.051 -4.203 1.00 . A A . 10 PHE CD1 1 1 10 2896 1 1 10 PHE CD2 C 3.192 2.051 -5.233 1.00 . A A . 10 PHE CD2 1 1 10 2897 1 1 10 PHE CE1 C 1.453 4.188 -5.186 1.00 . A A . 10 PHE CE1 1 1 10 2898 1 1 10 PHE CE2 C 2.235 2.180 -6.220 1.00 . A A . 10 PHE CE2 1 1 10 2899 1 1 10 PHE CG C 3.290 2.986 -4.214 1.00 . A A . 10 PHE CG 1 1 10 2900 1 1 10 PHE CZ C 1.365 3.252 -6.198 1.00 . A A . 10 PHE CZ 1 1 10 2901 1 1 10 PHE H H 2.640 1.100 -2.478 1.00 . A A . 10 PHE H 1 1 10 2902 1 1 10 PHE HA H 5.197 0.963 -3.662 1.00 . A A . 10 PHE HA 1 1 10 2903 1 1 10 PHE HB2 H 3.942 3.319 -2.246 1.00 . A A . 10 PHE HB2 1 1 10 2904 1 1 10 PHE HB3 H 5.215 3.379 -3.460 1.00 . A A . 10 PHE HB3 1 1 10 2905 1 1 10 PHE HD1 H 2.482 4.782 -3.411 1.00 . A A . 10 PHE HD1 1 1 10 2906 1 1 10 PHE HD2 H 3.867 1.208 -5.245 1.00 . A A . 10 PHE HD2 1 1 10 2907 1 1 10 PHE HE1 H 0.771 5.024 -5.165 1.00 . A A . 10 PHE HE1 1 1 10 2908 1 1 10 PHE HE2 H 2.170 1.446 -7.010 1.00 . A A . 10 PHE HE2 1 1 10 2909 1 1 10 PHE HZ H 0.617 3.356 -6.969 1.00 . A A . 10 PHE HZ 1 1 10 2910 1 1 10 PHE N N 3.506 0.637 -2.523 1.00 . A A . 10 PHE N 1 1 10 2911 1 1 10 PHE O O 6.853 1.401 -1.751 1.00 . A A . 10 PHE O 1 1 10 2912 1 1 11 ILE C C 6.398 -0.192 0.893 1.00 . A A . 11 ILE C 1 1 10 2913 1 1 11 ILE CA C 5.775 1.186 0.812 1.00 . A A . 11 ILE CA 1 1 10 2914 1 1 11 ILE CB C 4.876 1.466 2.047 1.00 . A A . 11 ILE CB 1 1 10 2915 1 1 11 ILE CD1 C 4.672 3.779 1.023 1.00 . A A . 11 ILE CD1 1 1 10 2916 1 1 11 ILE CG1 C 4.769 2.973 2.292 1.00 . A A . 11 ILE CG1 1 1 10 2917 1 1 11 ILE CG2 C 5.430 0.785 3.283 1.00 . A A . 11 ILE CG2 1 1 10 2918 1 1 11 ILE H H 4.054 1.388 -0.409 1.00 . A A . 11 ILE H 1 1 10 2919 1 1 11 ILE HA H 6.568 1.916 0.811 1.00 . A A . 11 ILE HA 1 1 10 2920 1 1 11 ILE HB H 3.894 1.067 1.851 1.00 . A A . 11 ILE HB 1 1 10 2921 1 1 11 ILE HD11 H 3.754 3.524 0.513 1.00 . A A . 11 ILE HD11 1 1 10 2922 1 1 11 ILE HD12 H 5.518 3.528 0.388 1.00 . A A . 11 ILE HD12 1 1 10 2923 1 1 11 ILE HD13 H 4.685 4.832 1.254 1.00 . A A . 11 ILE HD13 1 1 10 2924 1 1 11 ILE HG12 H 3.886 3.175 2.881 1.00 . A A . 11 ILE HG12 1 1 10 2925 1 1 11 ILE HG13 H 5.642 3.308 2.833 1.00 . A A . 11 ILE HG13 1 1 10 2926 1 1 11 ILE HG21 H 5.388 -0.286 3.154 1.00 . A A . 11 ILE HG21 1 1 10 2927 1 1 11 ILE HG22 H 4.845 1.070 4.146 1.00 . A A . 11 ILE HG22 1 1 10 2928 1 1 11 ILE HG23 H 6.456 1.091 3.420 1.00 . A A . 11 ILE HG23 1 1 10 2929 1 1 11 ILE N N 5.033 1.320 -0.438 1.00 . A A . 11 ILE N 1 1 10 2930 1 1 11 ILE O O 7.514 -0.351 1.377 1.00 . A A . 11 ILE O 1 1 10 2931 1 1 12 LYS C C 7.337 -2.656 -0.697 1.00 . A A . 12 LYS C 1 1 10 2932 1 1 12 LYS CA C 6.209 -2.541 0.324 1.00 . A A . 12 LYS CA 1 1 10 2933 1 1 12 LYS CB C 5.093 -3.536 0.013 1.00 . A A . 12 LYS CB 1 1 10 2934 1 1 12 LYS CD C 2.987 -4.661 0.808 1.00 . A A . 12 LYS CD 1 1 10 2935 1 1 12 LYS CE C 1.987 -4.762 1.947 1.00 . A A . 12 LYS CE 1 1 10 2936 1 1 12 LYS CG C 4.063 -3.637 1.122 1.00 . A A . 12 LYS CG 1 1 10 2937 1 1 12 LYS H H 4.800 -0.977 -0.010 1.00 . A A . 12 LYS H 1 1 10 2938 1 1 12 LYS HA H 6.612 -2.763 1.302 1.00 . A A . 12 LYS HA 1 1 10 2939 1 1 12 LYS HB2 H 4.593 -3.225 -0.893 1.00 . A A . 12 LYS HB2 1 1 10 2940 1 1 12 LYS HB3 H 5.527 -4.513 -0.141 1.00 . A A . 12 LYS HB3 1 1 10 2941 1 1 12 LYS HD2 H 2.467 -4.363 -0.091 1.00 . A A . 12 LYS HD2 1 1 10 2942 1 1 12 LYS HD3 H 3.450 -5.624 0.660 1.00 . A A . 12 LYS HD3 1 1 10 2943 1 1 12 LYS HE2 H 2.519 -5.012 2.851 1.00 . A A . 12 LYS HE2 1 1 10 2944 1 1 12 LYS HE3 H 1.505 -3.802 2.070 1.00 . A A . 12 LYS HE3 1 1 10 2945 1 1 12 LYS HG2 H 4.561 -3.926 2.034 1.00 . A A . 12 LYS HG2 1 1 10 2946 1 1 12 LYS HG3 H 3.598 -2.670 1.255 1.00 . A A . 12 LYS HG3 1 1 10 2947 1 1 12 LYS HZ1 H 0.442 -5.594 0.813 1.00 . A A . 12 LYS HZ1 1 1 10 2948 1 1 12 LYS HZ2 H 0.263 -5.808 2.480 1.00 . A A . 12 LYS HZ2 1 1 10 2949 1 1 12 LYS HZ3 H 1.389 -6.735 1.626 1.00 . A A . 12 LYS HZ3 1 1 10 2950 1 1 12 LYS N N 5.694 -1.176 0.365 1.00 . A A . 12 LYS N 1 1 10 2951 1 1 12 LYS NZ N 0.948 -5.795 1.698 1.00 . A A . 12 LYS NZ 1 1 10 2952 1 1 12 LYS O O 8.090 -3.630 -0.706 1.00 . A A . 12 LYS O 1 1 10 2953 1 1 13 GLY C C 9.661 -0.719 -1.871 1.00 . A A . 13 GLY C 1 1 10 2954 1 1 13 GLY CA C 8.554 -1.562 -2.472 1.00 . A A . 13 GLY CA 1 1 10 2955 1 1 13 GLY H H 6.712 -0.993 -1.608 1.00 . A A . 13 GLY H 1 1 10 2956 1 1 13 GLY HA2 H 8.935 -2.554 -2.677 1.00 . A A . 13 GLY HA2 1 1 10 2957 1 1 13 GLY HA3 H 8.228 -1.108 -3.398 1.00 . A A . 13 GLY HA3 1 1 10 2958 1 1 13 GLY N N 7.426 -1.665 -1.572 1.00 . A A . 13 GLY N 1 1 10 2959 1 1 13 GLY O O 10.845 -0.963 -2.114 1.00 . A A . 13 GLY O 1 1 10 2960 1 1 14 PHE C C 10.950 0.479 0.690 1.00 . A A . 14 PHE C 1 1 10 2961 1 1 14 PHE CA C 10.195 1.176 -0.437 1.00 . A A . 14 PHE CA 1 1 10 2962 1 1 14 PHE CB C 9.378 2.370 0.041 1.00 . A A . 14 PHE CB 1 1 10 2963 1 1 14 PHE CD1 C 11.083 3.615 1.389 1.00 . A A . 14 PHE CD1 1 1 10 2964 1 1 14 PHE CD2 C 8.976 3.098 2.363 1.00 . A A . 14 PHE CD2 1 1 10 2965 1 1 14 PHE CE1 C 11.473 4.249 2.552 1.00 . A A . 14 PHE CE1 1 1 10 2966 1 1 14 PHE CE2 C 9.352 3.725 3.533 1.00 . A A . 14 PHE CE2 1 1 10 2967 1 1 14 PHE CG C 9.835 3.036 1.292 1.00 . A A . 14 PHE CG 1 1 10 2968 1 1 14 PHE CZ C 10.605 4.303 3.628 1.00 . A A . 14 PHE CZ 1 1 10 2969 1 1 14 PHE H H 8.302 0.412 -0.906 1.00 . A A . 14 PHE H 1 1 10 2970 1 1 14 PHE HA H 10.905 1.511 -1.179 1.00 . A A . 14 PHE HA 1 1 10 2971 1 1 14 PHE HB2 H 9.376 3.106 -0.728 1.00 . A A . 14 PHE HB2 1 1 10 2972 1 1 14 PHE HB3 H 8.363 2.042 0.200 1.00 . A A . 14 PHE HB3 1 1 10 2973 1 1 14 PHE HD1 H 11.755 3.561 0.545 1.00 . A A . 14 PHE HD1 1 1 10 2974 1 1 14 PHE HD2 H 7.997 2.640 2.271 1.00 . A A . 14 PHE HD2 1 1 10 2975 1 1 14 PHE HE1 H 12.452 4.698 2.622 1.00 . A A . 14 PHE HE1 1 1 10 2976 1 1 14 PHE HE2 H 8.670 3.765 4.370 1.00 . A A . 14 PHE HE2 1 1 10 2977 1 1 14 PHE HZ H 10.904 4.795 4.539 1.00 . A A . 14 PHE HZ 1 1 10 2978 1 1 14 PHE N N 9.268 0.272 -1.075 1.00 . A A . 14 PHE N 1 1 10 2979 1 1 14 PHE O O 12.180 0.466 0.714 1.00 . A A . 14 PHE O 1 1 10 2980 1 1 15 ILE C C 10.597 -2.385 2.432 1.00 . A A . 15 ILE C 1 1 10 2981 1 1 15 ILE CA C 10.825 -0.903 2.676 1.00 . A A . 15 ILE CA 1 1 10 2982 1 1 15 ILE CB C 10.299 -0.546 4.084 1.00 . A A . 15 ILE CB 1 1 10 2983 1 1 15 ILE CD1 C 8.200 -0.430 5.526 1.00 . A A . 15 ILE CD1 1 1 10 2984 1 1 15 ILE CG1 C 8.774 -0.660 4.145 1.00 . A A . 15 ILE CG1 1 1 10 2985 1 1 15 ILE CG2 C 10.756 0.844 4.487 1.00 . A A . 15 ILE CG2 1 1 10 2986 1 1 15 ILE H H 9.236 0.006 1.583 1.00 . A A . 15 ILE H 1 1 10 2987 1 1 15 ILE HA H 11.889 -0.712 2.657 1.00 . A A . 15 ILE HA 1 1 10 2988 1 1 15 ILE HB H 10.727 -1.250 4.783 1.00 . A A . 15 ILE HB 1 1 10 2989 1 1 15 ILE HD11 H 8.460 0.563 5.863 1.00 . A A . 15 ILE HD11 1 1 10 2990 1 1 15 ILE HD12 H 8.604 -1.160 6.212 1.00 . A A . 15 ILE HD12 1 1 10 2991 1 1 15 ILE HD13 H 7.124 -0.527 5.491 1.00 . A A . 15 ILE HD13 1 1 10 2992 1 1 15 ILE HG12 H 8.340 0.072 3.481 1.00 . A A . 15 ILE HG12 1 1 10 2993 1 1 15 ILE HG13 H 8.479 -1.649 3.823 1.00 . A A . 15 ILE HG13 1 1 10 2994 1 1 15 ILE HG21 H 10.400 1.564 3.765 1.00 . A A . 15 ILE HG21 1 1 10 2995 1 1 15 ILE HG22 H 11.834 0.873 4.521 1.00 . A A . 15 ILE HG22 1 1 10 2996 1 1 15 ILE HG23 H 10.359 1.087 5.461 1.00 . A A . 15 ILE HG23 1 1 10 2997 1 1 15 ILE N N 10.215 -0.102 1.617 1.00 . A A . 15 ILE N 1 1 10 2998 1 1 15 ILE O O 9.903 -2.771 1.492 1.00 . A A . 15 ILE O 1 1 10 2999 1 1 16 SER C C 9.881 -5.081 4.107 1.00 . A A . 16 SER C 1 1 10 3000 1 1 16 SER CA C 11.016 -4.647 3.188 1.00 . A A . 16 SER CA 1 1 10 3001 1 1 16 SER CB C 12.311 -5.366 3.568 1.00 . A A . 16 SER CB 1 1 10 3002 1 1 16 SER H H 11.779 -2.843 3.969 1.00 . A A . 16 SER H 1 1 10 3003 1 1 16 SER HA H 10.757 -4.893 2.170 1.00 . A A . 16 SER HA 1 1 10 3004 1 1 16 SER HB2 H 12.524 -5.195 4.612 1.00 . A A . 16 SER HB2 1 1 10 3005 1 1 16 SER HB3 H 12.198 -6.425 3.390 1.00 . A A . 16 SER HB3 1 1 10 3006 1 1 16 SER HG H 13.360 -3.923 2.755 1.00 . A A . 16 SER HG 1 1 10 3007 1 1 16 SER N N 11.197 -3.210 3.271 1.00 . A A . 16 SER N 1 1 10 3008 1 1 16 SER O O 10.118 -5.193 5.326 1.00 . A A . 16 SER O 1 1 10 3009 1 1 16 SER OXT O 8.756 -5.301 3.612 1.00 . A A . 16 SER OXT 1 1 10 3010 1 1 16 SER OG O 13.399 -4.887 2.796 1.00 . A A . 16 SER OG 1 1 stop_ save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:25:30 AM GMT (wattos1)