NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
429735 | 2jmy | 15099 | cing | 4-filtered-FRED | STAR | entry | full | 204 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2jmy # This FRED archive file contains, for PDB entry <2jmy>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) 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.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_2jmy _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2jmy _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1776.32 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 $CM15 A . 1 1 stop_ save_ save_CM15 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name CM15 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KWKLFKKIGAVLKVL _Entity.Number_of_monomers 15 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 LYS . 1 1 4 LEU . 1 1 5 PHE . 1 1 6 LYS . 1 1 7 LYS . 1 1 8 ILE . 1 1 9 GLY . 1 1 10 ALA . 1 1 11 VAL . 1 1 12 LEU . 1 1 13 LYS . 1 1 14 VAL . 1 1 15 LEU . 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 LYS 3 3 1 1 LEU 4 4 1 1 PHE 5 5 1 1 LYS 6 6 1 1 LYS 7 7 1 1 ILE 8 8 1 1 GLY 9 9 1 1 ALA 10 10 1 1 VAL 11 11 1 1 LEU 12 12 1 1 LYS 13 13 1 1 VAL 14 14 1 1 LEU 15 15 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type 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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LYS HA . 1 . HA 1 1 1 1 2 1 1 1 LYS QB . 1 . HB# 1 1 2 1 1 1 1 1 LYS HA . 1 . HA 1 1 2 1 2 1 1 2 TRP H . 2 . HN 1 1 3 1 1 1 1 1 LYS HA . 1 . HA 1 1 3 1 2 1 1 2 TRP HA . 2 . HA 1 1 4 1 1 1 1 1 LYS QB . 1 . HB# 1 1 4 1 2 1 1 2 TRP H . 2 . HN 1 1 5 1 1 1 1 1 LYS QB . 1 . HB# 1 1 5 1 2 1 1 2 TRP HE1 . 2 . HE1 1 1 6 1 1 1 1 1 LYS QE . 1 . HE# 1 1 6 1 2 1 1 2 TRP H . 2 . HN 1 1 7 1 1 1 1 1 LYS QE . 1 . HE# 1 1 7 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 8 1 1 1 1 1 LYS QE . 1 . HE# 1 1 8 1 2 1 1 2 TRP HE1 . 2 . HE1 1 1 9 1 1 1 1 1 LYS QE . 1 . HE# 1 1 9 1 2 1 1 2 TRP HZ2 . 2 . HZ2 1 1 10 1 1 1 1 1 LYS QG . 1 . HG# 1 1 10 1 2 1 1 2 TRP H . 2 . HN 1 1 11 1 1 1 1 1 LYS QG . 1 . HG# 1 1 11 1 2 1 1 2 TRP HE1 . 2 . HE1 1 1 12 1 1 1 1 1 LYS QG . 1 . HG# 1 1 12 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 13 1 1 1 1 1 LYS QG . 1 . HG# 1 1 13 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 14 1 1 1 1 2 TRP H . 2 . HN 1 1 14 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 15 1 1 1 1 2 TRP H . 2 . HN 1 1 15 1 2 1 1 2 TRP HE1 . 2 . HE1 1 1 16 1 1 1 1 2 TRP H . 2 . HN 1 1 16 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 17 1 1 1 1 2 TRP H . 2 . HN 1 1 17 1 2 1 1 3 LYS H . 3 . HN 1 1 18 1 1 1 1 2 TRP H . 2 . HN 1 1 18 1 2 1 1 3 LYS QB . 3 . HB# 1 1 19 1 1 1 1 2 TRP H . 2 . HN 1 1 19 1 2 1 1 4 LEU H . 4 . HN 1 1 20 1 1 1 1 2 TRP H . 2 . HN 1 1 20 1 2 1 1 5 PHE H . 5 . HN 1 1 21 1 1 1 1 2 TRP H . 2 . HN 1 1 21 1 2 1 1 5 PHE QB . 5 . HB# 1 1 22 1 1 1 1 2 TRP HA . 2 . HA 1 1 22 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 23 1 1 1 1 2 TRP HA . 2 . HA 1 1 23 1 2 1 1 2 TRP HE1 . 2 . HE1 1 1 24 1 1 1 1 2 TRP HA . 2 . HA 1 1 24 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 25 1 1 1 1 2 TRP HA . 2 . HA 1 1 25 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 26 1 1 1 1 2 TRP HA . 2 . HA 1 1 26 1 2 1 1 3 LYS H . 3 . HN 1 1 27 1 1 1 1 2 TRP HA . 2 . HA 1 1 27 1 2 1 1 3 LYS HA . 3 . HA 1 1 28 1 1 1 1 2 TRP HA . 2 . HA 1 1 28 1 2 1 1 4 LEU H . 4 . HN 1 1 29 1 1 1 1 2 TRP HA . 2 . HA 1 1 29 1 2 1 1 5 PHE H . 5 . HN 1 1 30 1 1 1 1 2 TRP HA . 2 . HA 1 1 30 1 2 1 1 5 PHE QB . 5 . HB# 1 1 31 1 1 1 1 2 TRP HA . 2 . HA 1 1 31 1 2 1 1 6 LYS H . 6 . HN 1 1 32 1 1 1 1 2 TRP QB . 2 . HB# 1 1 32 1 2 1 1 2 TRP HD1 . 2 . HD1 1 1 33 1 1 1 1 2 TRP QB . 2 . HB# 1 1 33 1 2 1 1 2 TRP HE3 . 2 . HE3 1 1 34 1 1 1 1 2 TRP QB . 2 . HB# 1 1 34 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 35 1 1 1 1 2 TRP QB . 2 . HB# 1 1 35 1 2 1 1 3 LYS H . 3 . HN 1 1 36 1 1 1 1 2 TRP QB . 2 . HB# 1 1 36 1 2 1 1 3 LYS HA . 3 . HA 1 1 37 1 1 1 1 2 TRP QB . 2 . HB# 1 1 37 1 2 1 1 4 LEU H . 4 . HN 1 1 38 1 1 1 1 2 TRP QB . 2 . HB# 1 1 38 1 2 1 1 5 PHE H . 5 . HN 1 1 39 1 1 1 1 2 TRP QB . 2 . HB# 1 1 39 1 2 1 1 6 LYS H . 6 . HN 1 1 40 1 1 1 1 2 TRP HD1 . 2 . HD1 1 1 40 1 2 1 1 3 LYS H . 3 . HN 1 1 41 1 1 1 1 2 TRP HE1 . 2 . HE1 1 1 41 1 2 1 1 4 LEU QB . 4 . HB# 1 1 42 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 42 1 2 1 1 3 LYS H . 3 . HN 1 1 43 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 43 1 2 1 1 3 LYS HA . 3 . HA 1 1 44 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 44 1 2 1 1 3 LYS QB . 3 . HB# 1 1 45 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 45 1 2 1 1 4 LEU QD . 4 . HD## 1 1 46 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 46 1 2 1 1 5 PHE H . 5 . HN 1 1 47 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 47 1 2 1 1 5 PHE HA . 5 . HA 1 1 48 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 48 1 2 1 1 5 PHE QB . 5 . HB# 1 1 49 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 49 1 2 1 1 6 LYS H . 6 . HN 1 1 50 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 50 1 2 1 1 6 LYS QB . 6 . HB# 1 1 51 1 1 1 1 2 TRP HE3 . 2 . HE3 1 1 51 1 2 1 1 6 LYS QG . 6 . HG# 1 1 52 1 1 1 1 2 TRP HH2 . 2 . HH2 1 1 52 1 2 1 1 2 TRP HZ3 . 2 . HZ3 1 1 53 1 1 1 1 2 TRP HZ2 . 2 . HZ2 1 1 53 1 2 1 1 4 LEU QB . 4 . HB# 1 1 54 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 54 1 2 1 1 3 LYS HA . 3 . HA 1 1 55 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 55 1 2 1 1 4 LEU QB . 4 . HB# 1 1 56 1 1 1 1 2 TRP HZ3 . 2 . HZ3 1 1 56 1 2 1 1 5 PHE QB . 5 . HB# 1 1 57 1 1 1 1 3 LYS H . 3 . HN 1 1 57 1 2 1 1 3 LYS HA . 3 . HA 1 1 58 1 1 1 1 3 LYS H . 3 . HN 1 1 58 1 2 1 1 3 LYS QB . 3 . HB# 1 1 59 1 1 1 1 3 LYS H . 3 . HN 1 1 59 1 2 1 1 4 LEU HA . 4 . HA 1 1 60 1 1 1 1 3 LYS H . 3 . HN 1 1 60 1 2 1 1 4 LEU QB . 4 . HB# 1 1 61 1 1 1 1 3 LYS H . 3 . HN 1 1 61 1 2 1 1 5 PHE H . 5 . HN 1 1 62 1 1 1 1 3 LYS H . 3 . HN 1 1 62 1 2 1 1 5 PHE QB . 5 . HB# 1 1 63 1 1 1 1 3 LYS HA . 3 . HA 1 1 63 1 2 1 1 3 LYS QB . 3 . HB# 1 1 64 1 1 1 1 3 LYS HA . 3 . HA 1 1 64 1 2 1 1 4 LEU H . 4 . HN 1 1 65 1 1 1 1 3 LYS HA . 3 . HA 1 1 65 1 2 1 1 5 PHE H . 5 . HN 1 1 66 1 1 1 1 3 LYS HA . 3 . HA 1 1 66 1 2 1 1 6 LYS QG . 6 . HG# 1 1 67 1 1 1 1 3 LYS QB . 3 . HB# 1 1 67 1 2 1 1 4 LEU H . 4 . HN 1 1 68 1 1 1 1 3 LYS QB . 3 . HB# 1 1 68 1 2 1 1 5 PHE H . 5 . HN 1 1 69 1 1 1 1 4 LEU H . 4 . HN 1 1 69 1 2 1 1 4 LEU QB . 4 . HB# 1 1 70 1 1 1 1 4 LEU H . 4 . HN 1 1 70 1 2 1 1 4 LEU QD . 4 . HD## 1 1 71 1 1 1 1 4 LEU H . 4 . HN 1 1 71 1 2 1 1 5 PHE H . 5 . HN 1 1 72 1 1 1 1 4 LEU H . 4 . HN 1 1 72 1 2 1 1 5 PHE HA . 5 . HA 1 1 73 1 1 1 1 4 LEU H . 4 . HN 1 1 73 1 2 1 1 5 PHE QB . 5 . HB# 1 1 74 1 1 1 1 4 LEU HA . 4 . HA 1 1 74 1 2 1 1 4 LEU QD . 4 . HD## 1 1 75 1 1 1 1 4 LEU HA . 4 . HA 1 1 75 1 2 1 1 4 LEU HG . 4 . HG 1 1 76 1 1 1 1 4 LEU HA . 4 . HA 1 1 76 1 2 1 1 5 PHE H . 5 . HN 1 1 77 1 1 1 1 4 LEU HA . 4 . HA 1 1 77 1 2 1 1 6 LYS H . 6 . HN 1 1 78 1 1 1 1 4 LEU HA . 4 . HA 1 1 78 1 2 1 1 7 LYS QB . 7 . HB# 1 1 79 1 1 1 1 4 LEU HA . 4 . HA 1 1 79 1 2 1 1 8 ILE H . 8 . HN 1 1 80 1 1 1 1 4 LEU QB . 4 . HB# 1 1 80 1 2 1 1 5 PHE H . 5 . HN 1 1 81 1 1 1 1 4 LEU QB . 4 . HB# 1 1 81 1 2 1 1 6 LYS H . 6 . HN 1 1 82 1 1 1 1 4 LEU QB . 4 . HB# 1 1 82 1 2 1 1 7 LYS H . 7 . HN 1 1 83 1 1 1 1 4 LEU QB . 4 . HB# 1 1 83 1 2 1 1 8 ILE H . 8 . HN 1 1 84 1 1 1 1 4 LEU QD . 4 . HD## 1 1 84 1 2 1 1 5 PHE H . 5 . HN 1 1 85 1 1 1 1 5 PHE H . 5 . HN 1 1 85 1 2 1 1 5 PHE QB . 5 . HB# 1 1 86 1 1 1 1 5 PHE H . 5 . HN 1 1 86 1 2 1 1 5 PHE QD . 5 . HD# 1 1 87 1 1 1 1 5 PHE H . 5 . HN 1 1 87 1 2 1 1 6 LYS H . 6 . HN 1 1 88 1 1 1 1 5 PHE H . 5 . HN 1 1 88 1 2 1 1 6 LYS QB . 6 . HB# 1 1 89 1 1 1 1 5 PHE H . 5 . HN 1 1 89 1 2 1 1 6 LYS QG . 6 . HG# 1 1 90 1 1 1 1 5 PHE H . 5 . HN 1 1 90 1 2 1 1 7 LYS H . 7 . HN 1 1 91 1 1 1 1 5 PHE H . 5 . HN 1 1 91 1 2 1 1 8 ILE HB . 8 . HB 1 1 92 1 1 1 1 5 PHE HA . 5 . HA 1 1 92 1 2 1 1 5 PHE QD . 5 . HD# 1 1 93 1 1 1 1 5 PHE HA . 5 . HA 1 1 93 1 2 1 1 6 LYS H . 6 . HN 1 1 94 1 1 1 1 5 PHE HA . 5 . HA 1 1 94 1 2 1 1 8 ILE HB . 8 . HB 1 1 95 1 1 1 1 5 PHE HA . 5 . HA 1 1 95 1 2 1 1 8 ILE QG . 8 . HG#1 1 1 96 1 1 1 1 5 PHE HA . 5 . HA 1 1 96 1 2 1 1 9 GLY H . 9 . HN 1 1 97 1 1 1 1 5 PHE QB . 5 . HB# 1 1 97 1 2 1 1 5 PHE QD . 5 . HD# 1 1 98 1 1 1 1 5 PHE QB . 5 . HB# 1 1 98 1 2 1 1 6 LYS H . 6 . HN 1 1 99 1 1 1 1 5 PHE QB . 5 . HB# 1 1 99 1 2 1 1 6 LYS HA . 6 . HA 1 1 100 1 1 1 1 5 PHE QB . 5 . HB# 1 1 100 1 2 1 1 7 LYS H . 7 . HN 1 1 101 1 1 1 1 5 PHE QB . 5 . HB# 1 1 101 1 2 1 1 8 ILE H . 8 . HN 1 1 102 1 1 1 1 5 PHE QB . 5 . HB# 1 1 102 1 2 1 1 9 GLY H . 9 . HN 1 1 103 1 1 1 1 5 PHE QD . 5 . HD# 1 1 103 1 2 1 1 6 LYS H . 6 . HN 1 1 104 1 1 1 1 6 LYS H . 6 . HN 1 1 104 1 2 1 1 6 LYS HA . 6 . HA 1 1 105 1 1 1 1 6 LYS H . 6 . HN 1 1 105 1 2 1 1 6 LYS QB . 6 . HB# 1 1 106 1 1 1 1 6 LYS H . 6 . HN 1 1 106 1 2 1 1 6 LYS QG . 6 . HG# 1 1 107 1 1 1 1 6 LYS HA . 6 . HA 1 1 107 1 2 1 1 8 ILE QG . 8 . HG#1 1 1 108 1 1 1 1 6 LYS HA . 6 . HA 1 1 108 1 2 1 1 9 GLY H . 9 . HN 1 1 109 1 1 1 1 6 LYS QB . 6 . HB# 1 1 109 1 2 1 1 9 GLY H . 9 . HN 1 1 110 1 1 1 1 6 LYS QG . 6 . HG# 1 1 110 1 2 1 1 7 LYS H . 7 . HN 1 1 111 1 1 1 1 6 LYS QG . 6 . HG# 1 1 111 1 2 1 1 7 LYS HA . 7 . HA 1 1 112 1 1 1 1 7 LYS H . 7 . HN 1 1 112 1 2 1 1 7 LYS HA . 7 . HA 1 1 113 1 1 1 1 7 LYS HA . 7 . HA 1 1 113 1 2 1 1 7 LYS QB . 7 . HB# 1 1 114 1 1 1 1 7 LYS HA . 7 . HA 1 1 114 1 2 1 1 7 LYS QG . 7 . HG# 1 1 115 1 1 1 1 7 LYS HA . 7 . HA 1 1 115 1 2 1 1 8 ILE H . 8 . HN 1 1 116 1 1 1 1 7 LYS HA . 7 . HA 1 1 116 1 2 1 1 8 ILE HA . 8 . HA 1 1 117 1 1 1 1 7 LYS HA . 7 . HA 1 1 117 1 2 1 1 9 GLY H . 9 . HN 1 1 118 1 1 1 1 7 LYS HA . 7 . HA 1 1 118 1 2 1 1 10 ALA H . 10 . HN 1 1 119 1 1 1 1 7 LYS HA . 7 . HA 1 1 119 1 2 1 1 10 ALA MB . 10 . HB# 1 1 120 1 1 1 1 7 LYS QE . 7 . HE# 1 1 120 1 2 1 1 8 ILE HA . 8 . HA 1 1 121 1 1 1 1 8 ILE H . 8 . HN 1 1 121 1 2 1 1 8 ILE HB . 8 . HB 1 1 122 1 1 1 1 8 ILE H . 8 . HN 1 1 122 1 2 1 1 9 GLY H . 9 . HN 1 1 123 1 1 1 1 8 ILE HA . 8 . HA 1 1 123 1 2 1 1 9 GLY H . 9 . HN 1 1 124 1 1 1 1 8 ILE HA . 8 . HA 1 1 124 1 2 1 1 10 ALA H . 10 . HN 1 1 125 1 1 1 1 8 ILE HA . 8 . HA 1 1 125 1 2 1 1 11 VAL H . 11 . HN 1 1 126 1 1 1 1 8 ILE HA . 8 . HA 1 1 126 1 2 1 1 11 VAL HB . 11 . HB 1 1 127 1 1 1 1 8 ILE HA . 8 . HA 1 1 127 1 2 1 1 11 VAL QG . 11 . HG## 1 1 128 1 1 1 1 8 ILE HB . 8 . HB 1 1 128 1 2 1 1 9 GLY H . 9 . HN 1 1 129 1 1 1 1 8 ILE QG . 8 . HG#1 1 1 129 1 2 1 1 9 GLY H . 9 . HN 1 1 130 1 1 1 1 9 GLY H . 9 . HN 1 1 130 1 2 1 1 10 ALA H . 10 . HN 1 1 131 1 1 1 1 9 GLY H . 9 . HN 1 1 131 1 2 1 1 10 ALA HA . 10 . HA 1 1 132 1 1 1 1 9 GLY H . 9 . HN 1 1 132 1 2 1 1 10 ALA MB . 10 . HB# 1 1 133 1 1 1 1 9 GLY H . 9 . HN 1 1 133 1 2 1 1 11 VAL H . 11 . HN 1 1 134 1 1 1 1 9 GLY H . 9 . HN 1 1 134 1 2 1 1 11 VAL QG . 11 . HG## 1 1 135 1 1 1 1 9 GLY QA . 9 . HA# 1 1 135 1 2 1 1 10 ALA H . 10 . HN 1 1 136 1 1 1 1 9 GLY QA . 9 . HA# 1 1 136 1 2 1 1 12 LEU H . 12 . HN 1 1 137 1 1 1 1 9 GLY QA . 9 . HA# 1 1 137 1 2 1 1 12 LEU QB . 12 . HB# 1 1 138 1 1 1 1 10 ALA H . 10 . HN 1 1 138 1 2 1 1 10 ALA HA . 10 . HA 1 1 139 1 1 1 1 10 ALA H . 10 . HN 1 1 139 1 2 1 1 10 ALA MB . 10 . HB# 1 1 140 1 1 1 1 10 ALA H . 10 . HN 1 1 140 1 2 1 1 11 VAL H . 11 . HN 1 1 141 1 1 1 1 10 ALA HA . 10 . HA 1 1 141 1 2 1 1 11 VAL H . 11 . HN 1 1 142 1 1 1 1 10 ALA HA . 10 . HA 1 1 142 1 2 1 1 12 LEU QB . 12 . HB# 1 1 143 1 1 1 1 10 ALA HA . 10 . HA 1 1 143 1 2 1 1 13 LYS QB . 13 . HB# 1 1 144 1 1 1 1 10 ALA MB . 10 . HB# 1 1 144 1 2 1 1 11 VAL H . 11 . HN 1 1 145 1 1 1 1 10 ALA MB . 10 . HB# 1 1 145 1 2 1 1 11 VAL HA . 11 . HA 1 1 146 1 1 1 1 10 ALA MB . 10 . HB# 1 1 146 1 2 1 1 14 VAL H . 14 . HN 1 1 147 1 1 1 1 11 VAL H . 11 . HN 1 1 147 1 2 1 1 11 VAL HA . 11 . HA 1 1 148 1 1 1 1 11 VAL H . 11 . HN 1 1 148 1 2 1 1 11 VAL HB . 11 . HB 1 1 149 1 1 1 1 11 VAL H . 11 . HN 1 1 149 1 2 1 1 12 LEU H . 12 . HN 1 1 150 1 1 1 1 11 VAL HA . 11 . HA 1 1 150 1 2 1 1 11 VAL HB . 11 . HB 1 1 151 1 1 1 1 11 VAL HA . 11 . HA 1 1 151 1 2 1 1 11 VAL QG . 11 . HG## 1 1 152 1 1 1 1 11 VAL HA . 11 . HA 1 1 152 1 2 1 1 12 LEU H . 12 . HN 1 1 153 1 1 1 1 11 VAL HA . 11 . HA 1 1 153 1 2 1 1 13 LYS QB . 13 . HB# 1 1 154 1 1 1 1 11 VAL HA . 11 . HA 1 1 154 1 2 1 1 14 VAL H . 14 . HN 1 1 155 1 1 1 1 11 VAL HA . 11 . HA 1 1 155 1 2 1 1 15 LEU H . 15 . HN 1 1 156 1 1 1 1 11 VAL HB . 11 . HB 1 1 156 1 2 1 1 12 LEU H . 12 . HN 1 1 157 1 1 1 1 11 VAL QG . 11 . HG## 1 1 157 1 2 1 1 12 LEU H . 12 . HN 1 1 158 1 1 1 1 11 VAL QG . 11 . HG## 1 1 158 1 2 1 1 12 LEU HA . 12 . HA 1 1 159 1 1 1 1 11 VAL QG . 11 . HG## 1 1 159 1 2 1 1 13 LYS H . 13 . HN 1 1 160 1 1 1 1 12 LEU H . 12 . HN 1 1 160 1 2 1 1 12 LEU HA . 12 . HA 1 1 161 1 1 1 1 12 LEU H . 12 . HN 1 1 161 1 2 1 1 13 LYS H . 13 . HN 1 1 162 1 1 1 1 12 LEU H . 12 . HN 1 1 162 1 2 1 1 14 VAL H . 14 . HN 1 1 163 1 1 1 1 12 LEU HA . 12 . HA 1 1 163 1 2 1 1 12 LEU QB . 12 . HB# 1 1 164 1 1 1 1 12 LEU QD . 12 . HD## 1 1 164 1 2 1 1 13 LYS H . 13 . HN 1 1 165 1 1 1 1 13 LYS H . 13 . HN 1 1 165 1 2 1 1 13 LYS HA . 13 . HA 1 1 166 1 1 1 1 13 LYS H . 13 . HN 1 1 166 1 2 1 1 13 LYS QB . 13 . HB# 1 1 167 1 1 1 1 13 LYS H . 13 . HN 1 1 167 1 2 1 1 14 VAL H . 14 . HN 1 1 168 1 1 1 1 13 LYS H . 13 . HN 1 1 168 1 2 1 1 14 VAL HB . 14 . HB 1 1 169 1 1 1 1 13 LYS QB . 13 . HB# 1 1 169 1 2 1 1 13 LYS QE . 13 . HE# 1 1 170 1 1 1 1 13 LYS QB . 13 . HB# 1 1 170 1 2 1 1 14 VAL H . 14 . HN 1 1 171 1 1 1 1 14 VAL H . 14 . HN 1 1 171 1 2 1 1 14 VAL HA . 14 . HA 1 1 172 1 1 1 1 14 VAL H . 14 . HN 1 1 172 1 2 1 1 14 VAL HB . 14 . HB 1 1 173 1 1 1 1 14 VAL H . 14 . HN 1 1 173 1 2 1 1 15 LEU H . 15 . HN 1 1 174 1 1 1 1 14 VAL H . 14 . HN 1 1 174 1 2 1 1 15 LEU QB . 15 . HB# 1 1 175 1 1 1 1 14 VAL HA . 14 . HA 1 1 175 1 2 1 1 14 VAL HB . 14 . HB 1 1 176 1 1 1 1 14 VAL HA . 14 . HA 1 1 176 1 2 1 1 14 VAL QG . 14 . HG## 1 1 177 1 1 1 1 14 VAL HA . 14 . HA 1 1 177 1 2 1 1 15 LEU H . 15 . HN 1 1 178 1 1 1 1 15 LEU H . 15 . HN 1 1 178 1 2 1 1 15 LEU HA . 15 . HA 1 1 179 1 1 1 1 15 LEU H . 15 . HN 1 1 179 1 2 1 1 15 LEU QB . 15 . HB# 1 1 180 1 1 1 1 15 LEU HA . 15 . HA 1 1 180 1 2 1 1 15 LEU QB . 15 . HB# 1 1 181 1 1 1 1 15 LEU HA . 15 . HA 1 1 181 1 2 1 1 15 LEU QD . 15 . HD## 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 . . . . . 2.601 1.8 2.601 1 1 2 1 . . . . . 3.326 1.8 3.326 1 1 3 1 . . . . . 4.471 1.8 4.471 1 1 4 1 . . . . . 3.319 1.8 3.319 1 1 5 1 . . . . . 6.0 1.8 6.0 1 1 6 1 . . . . . 6.0 1.8 6.0 1 1 7 1 . . . . . 5.882 1.8 5.882 1 1 8 1 . . . . . 6.0 1.8 6.0 1 1 9 1 . . . . . 6.0 1.8 6.0 1 1 10 1 . . . . . 3.708 1.8 3.708 1 1 11 1 . . . . . 6.0 1.8 6.0 1 1 12 1 . . . . . 4.979 1.8 4.979 1 1 13 1 . . . . . 6.0 1.8 6.0 1 1 14 1 . . . . . . 1.8 3.576 1 1 15 1 . . . . . 6.0 1.8 6.0 1 1 16 1 . . . . . . 1.8 4.335 1 1 17 1 . . . . . 3.7 1.8 3.7 1 1 18 1 . . . . . 6.0 1.8 6.0 1 1 19 1 . . . . . 5.016 1.8 5.016 1 1 20 1 . . . . . 6.0 1.8 6.0 1 1 21 1 . . . . . 4.994 1.8 4.994 1 1 22 1 . . . . . 4.1 1.8 4.1 1 1 23 1 . . . . . 6.0 1.8 6.0 1 1 24 1 . . . . . 2.855 1.8 2.855 1 1 25 1 . . . . . 5.5 1.8 5.5 1 1 26 1 . . . . . 3.854 1.8 3.854 1 1 27 1 . . . . . 5.796 1.8 5.796 1 1 28 1 . . . . . 5.126 1.8 5.126 1 1 29 1 . . . . . 4.175 1.8 4.175 1 1 30 1 . . . . . 3.319 1.8 3.319 1 1 31 1 . . . . . 5.35 1.8 5.35 1 1 32 1 . . . . . 2.868 1.8 2.868 1 1 33 1 . . . . . 2.963 1.8 2.963 1 1 34 1 . . . . . 4.735 1.8 4.735 1 1 35 1 . . . . . 3.483 1.8 3.483 1 1 36 1 . . . . . 4.702 1.8 4.702 1 1 37 1 . . . . . 5.327 1.8 5.327 1 1 38 1 . . . . . 5.647 1.8 5.647 1 1 39 1 . . . . . 6.0 1.8 6.0 1 1 40 1 . . . . . 5.5 1.8 5.5 1 1 41 1 . . . . . 6.0 1.8 6.0 1 1 42 1 . . . . . 6.0 1.8 6.0 1 1 43 1 . . . . . 4.674 1.8 4.674 1 1 44 1 . . . . . 5.894 1.8 5.894 1 1 45 1 . . . . . 5.388 1.8 5.388 1 1 46 1 . . . . . 6.0 1.8 6.0 1 1 47 1 . . . . . 5.817 1.8 5.817 1 1 48 1 . . . . . 3.505 1.8 3.505 1 1 49 1 . . . . . 6.0 1.8 6.0 1 1 50 1 . . . . . 5.496 1.8 5.496 1 1 51 1 . . . . . 4.771 1.8 4.771 1 1 52 1 . . . . . . 1.8 2.531 1 1 53 1 . . . . . 6.0 1.8 6.0 1 1 54 1 . . . . . 5.649 1.8 5.649 1 1 55 1 . . . . . 5.448 1.8 5.448 1 1 56 1 . . . . . 4.737 1.8 4.737 1 1 57 1 . . . . . . 1.8 2.827 1 1 58 1 . . . . . 2.952 1.8 2.952 1 1 59 1 . . . . . 4.794 1.8 4.794 1 1 60 1 . . . . . 3.878 1.8 3.878 1 1 61 1 . . . . . 4.867 1.8 4.867 1 1 62 1 . . . . . 5.211 1.8 5.211 1 1 63 1 . . . . . 2.529 1.8 2.529 1 1 64 1 . . . . . . 1.8 2.827 1 1 65 1 . . . . . 4.336 1.8 4.336 1 1 66 1 . . . . . 3.09 1.8 3.09 1 1 67 1 . . . . . 3.331 1.8 3.331 1 1 68 1 . . . . . 5.391 1.8 5.391 1 1 69 1 . . . . . . 1.8 2.74 1 1 70 1 . . . . . . 1.8 4.779 1 1 71 1 . . . . . 3.381 1.8 3.381 1 1 72 1 . . . . . 5.404 1.8 5.404 1 1 73 1 . . . . . 4.38 1.8 4.38 1 1 74 1 . . . . . 3.241 1.8 3.241 1 1 75 1 . . . . . 2.901 1.8 2.901 1 1 76 1 . . . . . . 1.8 4.009 1 1 77 1 . . . . . 5.003 1.8 5.003 1 1 78 1 . . . . . . 1.8 3.748 1 1 79 1 . . . . . 5.524 1.8 5.524 1 1 80 1 . . . . . . 1.8 3.334 1 1 81 1 . . . . . 4.042 1.8 4.042 1 1 82 1 . . . . . 3.8 1.8 3.8 1 1 83 1 . . . . . 5.263 1.8 5.263 1 1 84 1 . . . . . . 1.8 4.571 1 1 85 1 . . . . . . 1.8 2.954 1 1 86 1 . . . . . 4.304 1.8 4.304 1 1 87 1 . . . . . 3.586 1.8 3.586 1 1 88 1 . . . . . 4.22 1.8 4.22 1 1 89 1 . . . . . 6.0 1.8 6.0 1 1 90 1 . . . . . 4.653 1.8 4.653 1 1 91 1 . . . . . 4.783 1.8 4.783 1 1 92 1 . . . . . 2.9 1.8 2.9 1 1 93 1 . . . . . . 1.8 3.24 1 1 94 1 . . . . . 4.7 1.8 4.7 1 1 95 1 . . . . . 6.0 1.8 6.0 1 1 96 1 . . . . . 4.701 1.8 4.701 1 1 97 1 . . . . . 2.846 1.8 2.846 1 1 98 1 . . . . . 3.317 1.8 3.317 1 1 99 1 . . . . . 4.315 1.8 4.315 1 1 100 1 . . . . . 5.167 1.8 5.167 1 1 101 1 . . . . . 4.59 1.8 4.59 1 1 102 1 . . . . . 5.763 1.8 5.763 1 1 103 1 . . . . . 6.0 1.8 6.0 1 1 104 1 . . . . . . 1.8 2.633 1 1 105 1 . . . . . 2.721 1.8 2.721 1 1 106 1 . . . . . 3.034 1.8 3.034 1 1 107 1 . . . . . 6.0 1.8 6.0 1 1 108 1 . . . . . . 1.8 3.834 1 1 109 1 . . . . . 5.035 1.8 5.035 1 1 110 1 . . . . . 3.406 1.8 3.406 1 1 111 1 . . . . . 3.285 1.8 3.285 1 1 112 1 . . . . . 3.01 1.8 3.01 1 1 113 1 . . . . . . 1.8 2.76 1 1 114 1 . . . . . 3.175 1.8 3.175 1 1 115 1 . . . . . . 1.8 3.24 1 1 116 1 . . . . . 4.237 1.8 4.237 1 1 117 1 . . . . . 4.256 1.8 4.256 1 1 118 1 . . . . . 3.657 1.8 3.657 1 1 119 1 . . . . . 3.365 1.8 3.365 1 1 120 1 . . . . . 4.237 1.8 4.237 1 1 121 1 . . . . . 2.995 1.8 2.995 1 1 122 1 . . . . . . 1.8 3.382 1 1 123 1 . . . . . 3.263 1.8 3.263 1 1 124 1 . . . . . 4.067 1.8 4.067 1 1 125 1 . . . . . . 1.8 3.78 1 1 126 1 . . . . . 3.601 1.8 3.601 1 1 127 1 . . . . . 3.894 1.8 3.894 1 1 128 1 . . . . . 3.245 1.8 3.245 1 1 129 1 . . . . . 3.397 1.8 3.397 1 1 130 1 . . . . . . 1.8 3.256 1 1 131 1 . . . . . 6.0 1.8 6.0 1 1 132 1 . . . . . 4.846 1.8 4.846 1 1 133 1 . . . . . 5.131 1.8 5.131 1 1 134 1 . . . . . 5.276 1.8 5.276 1 1 135 1 . . . . . . 1.8 3.386 1 1 136 1 . . . . . 4.035 1.8 4.035 1 1 137 1 . . . . . 3.685 1.8 3.685 1 1 138 1 . . . . . 2.801 1.8 2.801 1 1 139 1 . . . . . 2.827 1.8 2.827 1 1 140 1 . . . . . 3.443 1.8 3.443 1 1 141 1 . . . . . 3.678 1.8 3.678 1 1 142 1 . . . . . 3.282 1.8 3.282 1 1 143 1 . . . . . 3.627 1.8 3.627 1 1 144 1 . . . . . 3.01 1.8 3.01 1 1 145 1 . . . . . 4.727 1.8 4.727 1 1 146 1 . . . . . 4.235 1.8 4.235 1 1 147 1 . . . . . . 1.8 2.999 1 1 148 1 . . . . . 2.804 1.8 2.804 1 1 149 1 . . . . . . 1.8 3.122 1 1 150 1 . . . . . 3.015 1.8 3.015 1 1 151 1 . . . . . 2.926 1.8 2.926 1 1 152 1 . . . . . . 1.8 3.649 1 1 153 1 . . . . . 4.187 1.8 4.187 1 1 154 1 . . . . . . 1.8 3.994 1 1 155 1 . . . . . 5.861 1.8 5.861 1 1 156 1 . . . . . 3.382 1.8 3.382 1 1 157 1 . . . . . 3.573 1.8 3.573 1 1 158 1 . . . . . 4.183 1.8 4.183 1 1 159 1 . . . . . 4.112 1.8 4.112 1 1 160 1 . . . . . 3.093 1.8 3.093 1 1 161 1 . . . . . 2.653 1.8 2.653 1 1 162 1 . . . . . 5.453 1.8 5.453 1 1 163 1 . . . . . 2.559 1.8 2.559 1 1 164 1 . . . . . 6.0 1.8 6.0 1 1 165 1 . . . . . 2.749 1.8 2.749 1 1 166 1 . . . . . 2.305 1.8 2.305 1 1 167 1 . . . . . . 1.8 3.328 1 1 168 1 . . . . . 4.049 1.8 4.049 1 1 169 1 . . . . . 3.607 1.8 3.607 1 1 170 1 . . . . . 3.151 1.8 3.151 1 1 171 1 . . . . . . 1.8 2.696 1 1 172 1 . . . . . 2.933 1.8 2.933 1 1 173 1 . . . . . . 1.8 3.013 1 1 174 1 . . . . . 3.851 1.8 3.851 1 1 175 1 . . . . . 2.992 1.8 2.992 1 1 176 1 . . . . . 3.202 1.8 3.202 1 1 177 1 . . . . . 3.25 1.8 3.25 1 1 178 1 . . . . . . 1.8 3.034 1 1 179 1 . . . . . 2.564 1.8 2.564 1 1 180 1 . . . . . 2.723 1.8 2.723 1 1 181 1 . . . . . 2.808 1.8 2.808 1 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 LYS C 1 1 2 TRP N 1 1 2 TRP CA 1 1 2 TRP C -98.0 -38.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 3 LYS C 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C -97.0 -37.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 3 . 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C 1 1 5 PHE N -66.99999 -7.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 4 . 1 1 4 LEU C 1 1 5 PHE N 1 1 5 PHE CA 1 1 5 PHE C -97.0 -37.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 5 . 1 1 5 PHE N 1 1 5 PHE CA 1 1 5 PHE C 1 1 6 LYS N -69.0 -9.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 6 . 1 1 5 PHE C 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C -97.0 -37.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 7 . 1 1 6 LYS N 1 1 6 LYS CA 1 1 6 LYS C 1 1 7 LYS N -61.999996 -2.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 8 . 1 1 6 LYS C 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C -101.0 -41.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 9 . 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 ILE N -65.0 -5.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 10 . 1 1 7 LYS C 1 1 8 ILE N 1 1 8 ILE CA 1 1 8 ILE C -103.0 -43.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 11 . 1 1 8 ILE N 1 1 8 ILE CA 1 1 8 ILE C 1 1 9 GLY N -57.0 2.9999998 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 12 . 1 1 8 ILE C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -100.0 -40.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 13 . 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C 1 1 10 ALA N -69.0 -9.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 14 . 1 1 9 GLY C 1 1 10 ALA N 1 1 10 ALA CA 1 1 10 ALA C -101.99999 -42.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 15 . 1 1 10 ALA N 1 1 10 ALA CA 1 1 10 ALA C 1 1 11 VAL N -60.0 0.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 16 . 1 1 10 ALA C 1 1 11 VAL N 1 1 11 VAL CA 1 1 11 VAL C -105.0 -44.999996 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 17 . 1 1 11 VAL N 1 1 11 VAL CA 1 1 11 VAL C 1 1 12 LEU N -59.0 1.0 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 18 . 1 1 11 VAL C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -95.99999 -36.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 19 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C 1 1 13 LYS N -70.0 -10.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 20 . 1 1 12 LEU C 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C -100.0 -40.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 21 . 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C 1 1 14 VAL N -61.999996 -2.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 22 . 1 1 13 LYS C 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C -115.00001 -47.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 23 . 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C 1 1 15 LEU N -64.0 20.0 . 14 . N . 14 . CA . 14 . C . 15 . N 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 -6.697 2.140 4.051 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C -6.265 3.591 4.036 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C -7.274 4.454 4.798 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C -9.454 5.635 4.385 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C -10.901 5.434 4.808 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C -8.706 4.314 4.304 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H -7.082 4.427 2.339 1.00 . A A . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H -5.795 3.331 2.050 1.00 . A A . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H -5.467 4.900 2.663 1.00 . A A . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H -5.314 3.661 4.508 1.00 . A A . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H -7.250 4.175 5.838 1.00 . A A . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H -6.985 5.488 4.704 1.00 . A A . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H -8.963 6.272 5.106 1.00 . A A . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H -9.435 6.108 3.414 1.00 . A A . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H -11.531 5.507 3.935 1.00 . A A . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H -11.002 4.451 5.243 1.00 . A A . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H -8.696 3.982 3.279 1.00 . A A . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H -9.218 3.585 4.916 1.00 . A A . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H -11.061 6.153 6.763 1.00 . A A . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H -12.367 6.568 5.772 1.00 . A A . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H -10.887 7.368 5.598 1.00 . A A . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N -6.142 4.109 2.647 1.00 . A A . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N -11.334 6.453 5.805 1.00 . A A . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O -6.329 1.369 4.935 1.00 . A A . 1 LYS O 1 1 1 25 1 1 2 TRP C C -7.200 -0.680 2.459 1.00 . A A . 2 TRP C 1 1 1 26 1 1 2 TRP CA C -8.093 0.465 2.999 1.00 . A A . 2 TRP CA 1 1 1 27 1 1 2 TRP CB C -9.437 0.497 2.288 1.00 . A A . 2 TRP CB 1 1 1 28 1 1 2 TRP CD1 C -10.664 2.467 1.342 1.00 . A A . 2 TRP CD1 1 1 1 29 1 1 2 TRP CD2 C -8.572 2.288 0.733 1.00 . A A . 2 TRP CD2 1 1 1 30 1 1 2 TRP CE2 C -9.085 3.411 0.095 1.00 . A A . 2 TRP CE2 1 1 1 31 1 1 2 TRP CE3 C -7.270 1.927 0.565 1.00 . A A . 2 TRP CE3 1 1 1 32 1 1 2 TRP CG C -9.591 1.701 1.472 1.00 . A A . 2 TRP CG 1 1 1 33 1 1 2 TRP CH2 C -6.988 3.824 -0.888 1.00 . A A . 2 TRP CH2 1 1 1 34 1 1 2 TRP CZ2 C -8.299 4.201 -0.736 1.00 . A A . 2 TRP CZ2 1 1 1 35 1 1 2 TRP CZ3 C -6.481 2.688 -0.230 1.00 . A A . 2 TRP CZ3 1 1 1 36 1 1 2 TRP H H -7.812 2.493 2.477 1.00 . A A . 2 TRP H 1 1 1 37 1 1 2 TRP HA H -8.282 0.238 3.972 1.00 . A A . 2 TRP HA 1 1 1 38 1 1 2 TRP HB2 H -9.524 -0.352 1.641 1.00 . A A . 2 TRP HB2 1 1 1 39 1 1 2 TRP HB3 H -10.228 0.481 3.016 1.00 . A A . 2 TRP HB3 1 1 1 40 1 1 2 TRP HD1 H -11.576 2.260 1.838 1.00 . A A . 2 TRP HD1 1 1 1 41 1 1 2 TRP HE1 H -11.025 4.189 0.199 1.00 . A A . 2 TRP HE1 1 1 1 42 1 1 2 TRP HE3 H -6.871 1.057 1.093 1.00 . A A . 2 TRP HE3 1 1 1 43 1 1 2 TRP HH2 H -6.323 4.401 -1.513 1.00 . A A . 2 TRP HH2 1 1 1 44 1 1 2 TRP HZ2 H -8.687 5.074 -1.242 1.00 . A A . 2 TRP HZ2 1 1 1 45 1 1 2 TRP HZ3 H -5.465 2.412 -0.345 1.00 . A A . 2 TRP HZ3 1 1 1 46 1 1 2 TRP N N -7.522 1.802 3.094 1.00 . A A . 2 TRP N 1 1 1 47 1 1 2 TRP NE1 N -10.397 3.506 0.477 1.00 . A A . 2 TRP NE1 1 1 1 48 1 1 2 TRP O O -6.338 -1.179 3.184 1.00 . A A . 2 TRP O 1 1 1 49 1 1 3 LYS C C -5.504 -1.881 -0.108 1.00 . A A . 3 LYS C 1 1 1 50 1 1 3 LYS CA C -6.722 -2.296 0.663 1.00 . A A . 3 LYS CA 1 1 1 51 1 1 3 LYS CB C -7.641 -3.146 -0.217 1.00 . A A . 3 LYS CB 1 1 1 52 1 1 3 LYS CD C -8.270 -5.372 0.769 1.00 . A A . 3 LYS CD 1 1 1 53 1 1 3 LYS CE C -8.790 -6.654 0.141 1.00 . A A . 3 LYS CE 1 1 1 54 1 1 3 LYS CG C -7.328 -4.632 -0.169 1.00 . A A . 3 LYS CG 1 1 1 55 1 1 3 LYS H H -8.163 -0.758 0.691 1.00 . A A . 3 LYS H 1 1 1 56 1 1 3 LYS HA H -6.395 -2.876 1.483 1.00 . A A . 3 LYS HA 1 1 1 57 1 1 3 LYS HB2 H -8.661 -3.003 0.107 1.00 . A A . 3 LYS HB2 1 1 1 58 1 1 3 LYS HB3 H -7.549 -2.812 -1.240 1.00 . A A . 3 LYS HB3 1 1 1 59 1 1 3 LYS HD2 H -7.738 -5.618 1.676 1.00 . A A . 3 LYS HD2 1 1 1 60 1 1 3 LYS HD3 H -9.107 -4.731 1.003 1.00 . A A . 3 LYS HD3 1 1 1 61 1 1 3 LYS HE2 H -7.966 -7.344 0.023 1.00 . A A . 3 LYS HE2 1 1 1 62 1 1 3 LYS HE3 H -9.529 -7.087 0.798 1.00 . A A . 3 LYS HE3 1 1 1 63 1 1 3 LYS HG2 H -7.429 -5.043 -1.162 1.00 . A A . 3 LYS HG2 1 1 1 64 1 1 3 LYS HG3 H -6.313 -4.765 0.176 1.00 . A A . 3 LYS HG3 1 1 1 65 1 1 3 LYS HZ1 H -8.721 -6.609 -1.947 1.00 . A A . 3 LYS HZ1 1 1 1 66 1 1 3 LYS HZ2 H -9.715 -5.420 -1.269 1.00 . A A . 3 LYS HZ2 1 1 1 67 1 1 3 LYS HZ3 H -10.236 -7.028 -1.320 1.00 . A A . 3 LYS HZ3 1 1 1 68 1 1 3 LYS N N -7.454 -1.152 1.220 1.00 . A A . 3 LYS N 1 1 1 69 1 1 3 LYS NZ N -9.408 -6.411 -1.192 1.00 . A A . 3 LYS NZ 1 1 1 70 1 1 3 LYS O O -4.641 -2.688 -0.443 1.00 . A A . 3 LYS O 1 1 1 71 1 1 4 LEU C C -3.347 0.512 0.026 1.00 . A A . 4 LEU C 1 1 1 72 1 1 4 LEU CA C -4.291 -0.052 -1.012 1.00 . A A . 4 LEU CA 1 1 1 73 1 1 4 LEU CB C -4.699 1.025 -1.974 1.00 . A A . 4 LEU CB 1 1 1 74 1 1 4 LEU CD1 C -5.582 1.292 -4.305 1.00 . A A . 4 LEU CD1 1 1 1 75 1 1 4 LEU CD2 C -3.114 1.248 -3.902 1.00 . A A . 4 LEU CD2 1 1 1 76 1 1 4 LEU CG C -4.465 0.711 -3.451 1.00 . A A . 4 LEU CG 1 1 1 77 1 1 4 LEU H H -6.127 -0.051 0.000 1.00 . A A . 4 LEU H 1 1 1 78 1 1 4 LEU HA H -3.798 -0.844 -1.552 1.00 . A A . 4 LEU HA 1 1 1 79 1 1 4 LEU HB2 H -5.746 1.217 -1.823 1.00 . A A . 4 LEU HB2 1 1 1 80 1 1 4 LEU HB3 H -4.134 1.900 -1.715 1.00 . A A . 4 LEU HB3 1 1 1 81 1 1 4 LEU HD11 H -5.784 0.629 -5.134 1.00 . A A . 4 LEU HD11 1 1 1 82 1 1 4 LEU HD12 H -5.282 2.258 -4.682 1.00 . A A . 4 LEU HD12 1 1 1 83 1 1 4 LEU HD13 H -6.473 1.399 -3.705 1.00 . A A . 4 LEU HD13 1 1 1 84 1 1 4 LEU HD21 H -2.374 1.044 -3.142 1.00 . A A . 4 LEU HD21 1 1 1 85 1 1 4 LEU HD22 H -3.186 2.314 -4.058 1.00 . A A . 4 LEU HD22 1 1 1 86 1 1 4 LEU HD23 H -2.825 0.767 -4.825 1.00 . A A . 4 LEU HD23 1 1 1 87 1 1 4 LEU HG H -4.462 -0.361 -3.590 1.00 . A A . 4 LEU HG 1 1 1 88 1 1 4 LEU N N -5.426 -0.618 -0.336 1.00 . A A . 4 LEU N 1 1 1 89 1 1 4 LEU O O -2.142 0.562 -0.185 1.00 . A A . 4 LEU O 1 1 1 90 1 1 5 PHE C C -2.124 0.244 2.639 1.00 . A A . 5 PHE C 1 1 1 91 1 1 5 PHE CA C -3.070 1.353 2.280 1.00 . A A . 5 PHE CA 1 1 1 92 1 1 5 PHE CB C -3.935 1.704 3.475 1.00 . A A . 5 PHE CB 1 1 1 93 1 1 5 PHE CD1 C -2.960 0.770 5.591 1.00 . A A . 5 PHE CD1 1 1 1 94 1 1 5 PHE CD2 C -2.614 3.075 5.096 1.00 . A A . 5 PHE CD2 1 1 1 95 1 1 5 PHE CE1 C -2.227 0.904 6.753 1.00 . A A . 5 PHE CE1 1 1 1 96 1 1 5 PHE CE2 C -1.881 3.218 6.260 1.00 . A A . 5 PHE CE2 1 1 1 97 1 1 5 PHE CG C -3.160 1.854 4.752 1.00 . A A . 5 PHE CG 1 1 1 98 1 1 5 PHE CZ C -1.687 2.131 7.090 1.00 . A A . 5 PHE CZ 1 1 1 99 1 1 5 PHE H H -4.866 0.748 1.342 1.00 . A A . 5 PHE H 1 1 1 100 1 1 5 PHE HA H -2.518 2.218 1.952 1.00 . A A . 5 PHE HA 1 1 1 101 1 1 5 PHE HB2 H -4.424 2.634 3.270 1.00 . A A . 5 PHE HB2 1 1 1 102 1 1 5 PHE HB3 H -4.678 0.926 3.612 1.00 . A A . 5 PHE HB3 1 1 1 103 1 1 5 PHE HD1 H -3.383 -0.188 5.328 1.00 . A A . 5 PHE HD1 1 1 1 104 1 1 5 PHE HD2 H -2.764 3.922 4.443 1.00 . A A . 5 PHE HD2 1 1 1 105 1 1 5 PHE HE1 H -2.077 0.052 7.400 1.00 . A A . 5 PHE HE1 1 1 1 106 1 1 5 PHE HE2 H -1.462 4.179 6.520 1.00 . A A . 5 PHE HE2 1 1 1 107 1 1 5 PHE HZ H -1.114 2.239 7.998 1.00 . A A . 5 PHE HZ 1 1 1 108 1 1 5 PHE N N -3.897 0.869 1.192 1.00 . A A . 5 PHE N 1 1 1 109 1 1 5 PHE O O -1.015 0.452 3.134 1.00 . A A . 5 PHE O 1 1 1 110 1 1 6 LYS C C -0.951 -2.383 1.355 1.00 . A A . 6 LYS C 1 1 1 111 1 1 6 LYS CA C -1.859 -2.146 2.550 1.00 . A A . 6 LYS CA 1 1 1 112 1 1 6 LYS CB C -2.821 -3.313 2.783 1.00 . A A . 6 LYS CB 1 1 1 113 1 1 6 LYS CD C -3.514 -5.368 1.512 1.00 . A A . 6 LYS CD 1 1 1 114 1 1 6 LYS CE C -4.741 -5.900 2.234 1.00 . A A . 6 LYS CE 1 1 1 115 1 1 6 LYS CG C -3.475 -3.848 1.522 1.00 . A A . 6 LYS CG 1 1 1 116 1 1 6 LYS H H -3.470 -1.002 1.915 1.00 . A A . 6 LYS H 1 1 1 117 1 1 6 LYS HA H -1.264 -1.998 3.425 1.00 . A A . 6 LYS HA 1 1 1 118 1 1 6 LYS HB2 H -2.284 -4.120 3.257 1.00 . A A . 6 LYS HB2 1 1 1 119 1 1 6 LYS HB3 H -3.605 -2.974 3.445 1.00 . A A . 6 LYS HB3 1 1 1 120 1 1 6 LYS HD2 H -3.535 -5.712 0.489 1.00 . A A . 6 LYS HD2 1 1 1 121 1 1 6 LYS HD3 H -2.628 -5.744 2.002 1.00 . A A . 6 LYS HD3 1 1 1 122 1 1 6 LYS HE2 H -5.574 -5.242 2.036 1.00 . A A . 6 LYS HE2 1 1 1 123 1 1 6 LYS HE3 H -4.966 -6.887 1.856 1.00 . A A . 6 LYS HE3 1 1 1 124 1 1 6 LYS HG2 H -4.488 -3.471 1.475 1.00 . A A . 6 LYS HG2 1 1 1 125 1 1 6 LYS HG3 H -2.919 -3.503 0.661 1.00 . A A . 6 LYS HG3 1 1 1 126 1 1 6 LYS HZ1 H -3.561 -6.305 3.910 1.00 . A A . 6 LYS HZ1 1 1 1 127 1 1 6 LYS HZ2 H -5.202 -6.652 4.128 1.00 . A A . 6 LYS HZ2 1 1 1 128 1 1 6 LYS HZ3 H -4.669 -5.047 4.139 1.00 . A A . 6 LYS HZ3 1 1 1 129 1 1 6 LYS N N -2.596 -0.945 2.332 1.00 . A A . 6 LYS N 1 1 1 130 1 1 6 LYS NZ N -4.529 -5.982 3.705 1.00 . A A . 6 LYS NZ 1 1 1 131 1 1 6 LYS O O 0.112 -2.990 1.479 1.00 . A A . 6 LYS O 1 1 1 132 1 1 7 LYS C C 0.418 -0.846 -1.091 1.00 . A A . 7 LYS C 1 1 1 133 1 1 7 LYS CA C -0.565 -1.984 -1.007 1.00 . A A . 7 LYS CA 1 1 1 134 1 1 7 LYS CB C -1.451 -2.025 -2.255 1.00 . A A . 7 LYS CB 1 1 1 135 1 1 7 LYS CD C -1.037 -1.696 -4.716 1.00 . A A . 7 LYS CD 1 1 1 136 1 1 7 LYS CE C 0.210 -0.987 -5.222 1.00 . A A . 7 LYS CE 1 1 1 137 1 1 7 LYS CG C -0.737 -2.548 -3.491 1.00 . A A . 7 LYS CG 1 1 1 138 1 1 7 LYS H H -2.218 -1.354 0.151 1.00 . A A . 7 LYS H 1 1 1 139 1 1 7 LYS HA H -0.006 -2.884 -0.937 1.00 . A A . 7 LYS HA 1 1 1 140 1 1 7 LYS HB2 H -2.299 -2.663 -2.057 1.00 . A A . 7 LYS HB2 1 1 1 141 1 1 7 LYS HB3 H -1.804 -1.026 -2.464 1.00 . A A . 7 LYS HB3 1 1 1 142 1 1 7 LYS HD2 H -1.418 -2.332 -5.500 1.00 . A A . 7 LYS HD2 1 1 1 143 1 1 7 LYS HD3 H -1.780 -0.956 -4.456 1.00 . A A . 7 LYS HD3 1 1 1 144 1 1 7 LYS HE2 H -0.078 -0.035 -5.643 1.00 . A A . 7 LYS HE2 1 1 1 145 1 1 7 LYS HE3 H 0.879 -0.823 -4.389 1.00 . A A . 7 LYS HE3 1 1 1 146 1 1 7 LYS HG2 H 0.327 -2.540 -3.310 1.00 . A A . 7 LYS HG2 1 1 1 147 1 1 7 LYS HG3 H -1.063 -3.560 -3.679 1.00 . A A . 7 LYS HG3 1 1 1 148 1 1 7 LYS HZ1 H 0.228 -2.236 -6.896 1.00 . A A . 7 LYS HZ1 1 1 1 149 1 1 7 LYS HZ2 H 1.499 -2.519 -5.817 1.00 . A A . 7 LYS HZ2 1 1 1 150 1 1 7 LYS HZ3 H 1.535 -1.163 -6.826 1.00 . A A . 7 LYS HZ3 1 1 1 151 1 1 7 LYS N N -1.365 -1.860 0.194 1.00 . A A . 7 LYS N 1 1 1 152 1 1 7 LYS NZ N 0.918 -1.782 -6.263 1.00 . A A . 7 LYS NZ 1 1 1 153 1 1 7 LYS O O 1.395 -0.903 -1.841 1.00 . A A . 7 LYS O 1 1 1 154 1 1 8 ILE C C 2.103 1.195 0.787 1.00 . A A . 8 ILE C 1 1 1 155 1 1 8 ILE CA C 1.057 1.326 -0.303 1.00 . A A . 8 ILE CA 1 1 1 156 1 1 8 ILE CB C 0.277 2.652 -0.153 1.00 . A A . 8 ILE CB 1 1 1 157 1 1 8 ILE CD1 C -1.788 3.634 -1.269 1.00 . A A . 8 ILE CD1 1 1 1 158 1 1 8 ILE CG1 C -0.428 3.000 -1.464 1.00 . A A . 8 ILE CG1 1 1 1 159 1 1 8 ILE CG2 C 1.202 3.785 0.272 1.00 . A A . 8 ILE CG2 1 1 1 160 1 1 8 ILE H H -0.616 0.175 0.289 1.00 . A A . 8 ILE H 1 1 1 161 1 1 8 ILE HA H 1.553 1.318 -1.247 1.00 . A A . 8 ILE HA 1 1 1 162 1 1 8 ILE HB H -0.466 2.520 0.620 1.00 . A A . 8 ILE HB 1 1 1 163 1 1 8 ILE HD11 H -1.666 4.651 -0.928 1.00 . A A . 8 ILE HD11 1 1 1 164 1 1 8 ILE HD12 H -2.345 3.072 -0.532 1.00 . A A . 8 ILE HD12 1 1 1 165 1 1 8 ILE HD13 H -2.326 3.630 -2.206 1.00 . A A . 8 ILE HD13 1 1 1 166 1 1 8 ILE HG12 H 0.182 3.693 -2.022 1.00 . A A . 8 ILE HG12 1 1 1 167 1 1 8 ILE HG13 H -0.562 2.098 -2.043 1.00 . A A . 8 ILE HG13 1 1 1 168 1 1 8 ILE HG21 H 1.600 3.573 1.254 1.00 . A A . 8 ILE HG21 1 1 1 169 1 1 8 ILE HG22 H 0.647 4.712 0.301 1.00 . A A . 8 ILE HG22 1 1 1 170 1 1 8 ILE HG23 H 2.013 3.874 -0.435 1.00 . A A . 8 ILE HG23 1 1 1 171 1 1 8 ILE N N 0.172 0.186 -0.305 1.00 . A A . 8 ILE N 1 1 1 172 1 1 8 ILE O O 3.233 1.661 0.646 1.00 . A A . 8 ILE O 1 1 1 173 1 1 9 GLY C C 3.733 -0.638 2.571 1.00 . A A . 9 GLY C 1 1 1 174 1 1 9 GLY CA C 2.632 0.322 2.958 1.00 . A A . 9 GLY CA 1 1 1 175 1 1 9 GLY H H 0.812 0.181 1.891 1.00 . A A . 9 GLY H 1 1 1 176 1 1 9 GLY HA2 H 3.069 1.268 3.246 1.00 . A A . 9 GLY HA2 1 1 1 177 1 1 9 GLY HA3 H 2.087 -0.086 3.796 1.00 . A A . 9 GLY HA3 1 1 1 178 1 1 9 GLY N N 1.719 0.538 1.858 1.00 . A A . 9 GLY N 1 1 1 179 1 1 9 GLY O O 4.882 -0.501 2.992 1.00 . A A . 9 GLY O 1 1 1 180 1 1 10 ALA C C 5.331 -1.934 0.324 1.00 . A A . 10 ALA C 1 1 1 181 1 1 10 ALA CA C 4.389 -2.570 1.315 1.00 . A A . 10 ALA CA 1 1 1 182 1 1 10 ALA CB C 3.756 -3.824 0.738 1.00 . A A . 10 ALA CB 1 1 1 183 1 1 10 ALA H H 2.477 -1.683 1.416 1.00 . A A . 10 ALA H 1 1 1 184 1 1 10 ALA HA H 4.964 -2.837 2.192 1.00 . A A . 10 ALA HA 1 1 1 185 1 1 10 ALA HB1 H 4.403 -4.227 -0.029 1.00 . A A . 10 ALA HB1 1 1 1 186 1 1 10 ALA HB2 H 2.797 -3.578 0.309 1.00 . A A . 10 ALA HB2 1 1 1 187 1 1 10 ALA HB3 H 3.625 -4.555 1.521 1.00 . A A . 10 ALA HB3 1 1 1 188 1 1 10 ALA N N 3.397 -1.615 1.745 1.00 . A A . 10 ALA N 1 1 1 189 1 1 10 ALA O O 6.520 -2.242 0.315 1.00 . A A . 10 ALA O 1 1 1 190 1 1 11 VAL C C 6.838 0.289 -0.607 1.00 . A A . 11 VAL C 1 1 1 191 1 1 11 VAL CA C 5.700 -0.316 -1.411 1.00 . A A . 11 VAL CA 1 1 1 192 1 1 11 VAL CB C 4.971 0.781 -2.199 1.00 . A A . 11 VAL CB 1 1 1 193 1 1 11 VAL CG1 C 5.935 1.484 -3.141 1.00 . A A . 11 VAL CG1 1 1 1 194 1 1 11 VAL CG2 C 3.796 0.191 -2.960 1.00 . A A . 11 VAL CG2 1 1 1 195 1 1 11 VAL H H 3.876 -0.761 -0.424 1.00 . A A . 11 VAL H 1 1 1 196 1 1 11 VAL HA H 6.104 -1.048 -2.099 1.00 . A A . 11 VAL HA 1 1 1 197 1 1 11 VAL HB H 4.592 1.509 -1.498 1.00 . A A . 11 VAL HB 1 1 1 198 1 1 11 VAL HG11 H 5.717 2.540 -3.156 1.00 . A A . 11 VAL HG11 1 1 1 199 1 1 11 VAL HG12 H 5.828 1.078 -4.135 1.00 . A A . 11 VAL HG12 1 1 1 200 1 1 11 VAL HG13 H 6.947 1.330 -2.795 1.00 . A A . 11 VAL HG13 1 1 1 201 1 1 11 VAL HG21 H 3.525 -0.757 -2.519 1.00 . A A . 11 VAL HG21 1 1 1 202 1 1 11 VAL HG22 H 4.074 0.042 -3.992 1.00 . A A . 11 VAL HG22 1 1 1 203 1 1 11 VAL HG23 H 2.956 0.867 -2.905 1.00 . A A . 11 VAL HG23 1 1 1 204 1 1 11 VAL N N 4.827 -1.007 -0.483 1.00 . A A . 11 VAL N 1 1 1 205 1 1 11 VAL O O 7.985 0.345 -1.053 1.00 . A A . 11 VAL O 1 1 1 206 1 1 12 LEU C C 8.638 0.219 1.630 1.00 . A A . 12 LEU C 1 1 1 207 1 1 12 LEU CA C 7.477 1.191 1.566 1.00 . A A . 12 LEU CA 1 1 1 208 1 1 12 LEU CB C 6.835 1.283 2.947 1.00 . A A . 12 LEU CB 1 1 1 209 1 1 12 LEU CD1 C 7.835 3.417 3.803 1.00 . A A . 12 LEU CD1 1 1 1 210 1 1 12 LEU CD2 C 7.124 1.638 5.410 1.00 . A A . 12 LEU CD2 1 1 1 211 1 1 12 LEU CG C 7.705 1.920 4.033 1.00 . A A . 12 LEU CG 1 1 1 212 1 1 12 LEU H H 5.582 0.541 0.927 1.00 . A A . 12 LEU H 1 1 1 213 1 1 12 LEU HA H 7.813 2.163 1.238 1.00 . A A . 12 LEU HA 1 1 1 214 1 1 12 LEU HB2 H 5.922 1.854 2.858 1.00 . A A . 12 LEU HB2 1 1 1 215 1 1 12 LEU HB3 H 6.580 0.271 3.259 1.00 . A A . 12 LEU HB3 1 1 1 216 1 1 12 LEU HD11 H 7.763 3.627 2.746 1.00 . A A . 12 LEU HD11 1 1 1 217 1 1 12 LEU HD12 H 8.791 3.756 4.173 1.00 . A A . 12 LEU HD12 1 1 1 218 1 1 12 LEU HD13 H 7.044 3.932 4.327 1.00 . A A . 12 LEU HD13 1 1 1 219 1 1 12 LEU HD21 H 6.062 1.838 5.400 1.00 . A A . 12 LEU HD21 1 1 1 220 1 1 12 LEU HD22 H 7.602 2.275 6.140 1.00 . A A . 12 LEU HD22 1 1 1 221 1 1 12 LEU HD23 H 7.293 0.603 5.668 1.00 . A A . 12 LEU HD23 1 1 1 222 1 1 12 LEU HG H 8.694 1.488 3.991 1.00 . A A . 12 LEU HG 1 1 1 223 1 1 12 LEU N N 6.504 0.668 0.626 1.00 . A A . 12 LEU N 1 1 1 224 1 1 12 LEU O O 9.804 0.599 1.742 1.00 . A A . 12 LEU O 1 1 1 225 1 1 13 LYS C C 9.913 -2.265 0.215 1.00 . A A . 13 LYS C 1 1 1 226 1 1 13 LYS CA C 9.219 -2.148 1.560 1.00 . A A . 13 LYS CA 1 1 1 227 1 1 13 LYS CB C 8.487 -3.452 1.865 1.00 . A A . 13 LYS CB 1 1 1 228 1 1 13 LYS CD C 8.976 -5.272 3.531 1.00 . A A . 13 LYS CD 1 1 1 229 1 1 13 LYS CE C 9.940 -6.376 3.937 1.00 . A A . 13 LYS CE 1 1 1 230 1 1 13 LYS CG C 9.412 -4.600 2.238 1.00 . A A . 13 LYS CG 1 1 1 231 1 1 13 LYS H H 7.317 -1.258 1.433 1.00 . A A . 13 LYS H 1 1 1 232 1 1 13 LYS HA H 9.942 -1.952 2.330 1.00 . A A . 13 LYS HA 1 1 1 233 1 1 13 LYS HB2 H 7.803 -3.283 2.684 1.00 . A A . 13 LYS HB2 1 1 1 234 1 1 13 LYS HB3 H 7.922 -3.741 0.988 1.00 . A A . 13 LYS HB3 1 1 1 235 1 1 13 LYS HD2 H 8.942 -4.533 4.317 1.00 . A A . 13 LYS HD2 1 1 1 236 1 1 13 LYS HD3 H 7.993 -5.698 3.390 1.00 . A A . 13 LYS HD3 1 1 1 237 1 1 13 LYS HE2 H 9.541 -7.324 3.607 1.00 . A A . 13 LYS HE2 1 1 1 238 1 1 13 LYS HE3 H 10.891 -6.200 3.455 1.00 . A A . 13 LYS HE3 1 1 1 239 1 1 13 LYS HG2 H 9.401 -5.331 1.445 1.00 . A A . 13 LYS HG2 1 1 1 240 1 1 13 LYS HG3 H 10.414 -4.216 2.363 1.00 . A A . 13 LYS HG3 1 1 1 241 1 1 13 LYS HZ1 H 9.828 -5.532 5.845 1.00 . A A . 13 LYS HZ1 1 1 1 242 1 1 13 LYS HZ2 H 11.151 -6.564 5.629 1.00 . A A . 13 LYS HZ2 1 1 1 243 1 1 13 LYS HZ3 H 9.599 -7.209 5.822 1.00 . A A . 13 LYS HZ3 1 1 1 244 1 1 13 LYS N N 8.272 -1.053 1.536 1.00 . A A . 13 LYS N 1 1 1 245 1 1 13 LYS NZ N 10.144 -6.424 5.412 1.00 . A A . 13 LYS NZ 1 1 1 246 1 1 13 LYS O O 11.098 -2.584 0.128 1.00 . A A . 13 LYS O 1 1 1 247 1 1 14 VAL C C 10.485 -0.842 -2.526 1.00 . A A . 14 VAL C 1 1 1 248 1 1 14 VAL CA C 9.634 -2.064 -2.189 1.00 . A A . 14 VAL CA 1 1 1 249 1 1 14 VAL CB C 8.444 -2.184 -3.169 1.00 . A A . 14 VAL CB 1 1 1 250 1 1 14 VAL CG1 C 8.266 -0.922 -4.007 1.00 . A A . 14 VAL CG1 1 1 1 251 1 1 14 VAL CG2 C 8.603 -3.405 -4.062 1.00 . A A . 14 VAL CG2 1 1 1 252 1 1 14 VAL H H 8.216 -1.754 -0.685 1.00 . A A . 14 VAL H 1 1 1 253 1 1 14 VAL HA H 10.233 -2.946 -2.274 1.00 . A A . 14 VAL HA 1 1 1 254 1 1 14 VAL HB H 7.546 -2.317 -2.575 1.00 . A A . 14 VAL HB 1 1 1 255 1 1 14 VAL HG11 H 8.263 -0.058 -3.359 1.00 . A A . 14 VAL HG11 1 1 1 256 1 1 14 VAL HG12 H 7.330 -0.975 -4.543 1.00 . A A . 14 VAL HG12 1 1 1 257 1 1 14 VAL HG13 H 9.081 -0.840 -4.712 1.00 . A A . 14 VAL HG13 1 1 1 258 1 1 14 VAL HG21 H 9.258 -4.118 -3.582 1.00 . A A . 14 VAL HG21 1 1 1 259 1 1 14 VAL HG22 H 9.029 -3.106 -5.008 1.00 . A A . 14 VAL HG22 1 1 1 260 1 1 14 VAL HG23 H 7.637 -3.859 -4.228 1.00 . A A . 14 VAL HG23 1 1 1 261 1 1 14 VAL N N 9.145 -2.000 -0.832 1.00 . A A . 14 VAL N 1 1 1 262 1 1 14 VAL O O 11.086 -0.760 -3.595 1.00 . A A . 14 VAL O 1 1 1 263 1 1 15 LEU C C 12.662 1.217 -1.162 1.00 . A A . 15 LEU C 1 1 1 264 1 1 15 LEU CA C 11.268 1.336 -1.770 1.00 . A A . 15 LEU CA 1 1 1 265 1 1 15 LEU CB C 10.498 2.481 -1.115 1.00 . A A . 15 LEU CB 1 1 1 266 1 1 15 LEU CD1 C 9.235 3.607 -2.965 1.00 . A A . 15 LEU CD1 1 1 1 267 1 1 15 LEU CD2 C 10.161 4.964 -1.079 1.00 . A A . 15 LEU CD2 1 1 1 268 1 1 15 LEU CG C 10.373 3.746 -1.966 1.00 . A A . 15 LEU CG 1 1 1 269 1 1 15 LEU H H 10.006 -0.024 -0.774 1.00 . A A . 15 LEU H 1 1 1 270 1 1 15 LEU HA H 11.358 1.532 -2.828 1.00 . A A . 15 LEU HA 1 1 1 271 1 1 15 LEU HB2 H 9.502 2.121 -0.884 1.00 . A A . 15 LEU HB2 1 1 1 272 1 1 15 LEU HB3 H 10.992 2.740 -0.191 1.00 . A A . 15 LEU HB3 1 1 1 273 1 1 15 LEU HD11 H 9.269 4.428 -3.666 1.00 . A A . 15 LEU HD11 1 1 1 274 1 1 15 LEU HD12 H 8.291 3.621 -2.440 1.00 . A A . 15 LEU HD12 1 1 1 275 1 1 15 LEU HD13 H 9.337 2.673 -3.497 1.00 . A A . 15 LEU HD13 1 1 1 276 1 1 15 LEU HD21 H 11.117 5.405 -0.838 1.00 . A A . 15 LEU HD21 1 1 1 277 1 1 15 LEU HD22 H 9.662 4.665 -0.169 1.00 . A A . 15 LEU HD22 1 1 1 278 1 1 15 LEU HD23 H 9.552 5.688 -1.601 1.00 . A A . 15 LEU HD23 1 1 1 279 1 1 15 LEU HG H 11.288 3.891 -2.521 1.00 . A A . 15 LEU HG 1 1 1 280 1 1 15 LEU N N 10.515 0.105 -1.598 1.00 . A A . 15 LEU N 1 1 1 281 1 1 15 LEU O O 13.636 1.611 -1.836 1.00 . A A . 15 LEU O 1 1 1 282 1 1 15 LEU OXT O 12.768 0.730 -0.016 1.00 . A A . 15 LEU OXT 1 1 2 283 1 1 1 LYS C C -6.696 1.790 4.208 1.00 . A A . 1 LYS C 1 1 2 284 1 1 1 LYS CA C -6.350 3.264 4.237 1.00 . A A . 1 LYS CA 1 1 2 285 1 1 1 LYS CB C -7.373 4.028 5.079 1.00 . A A . 1 LYS CB 1 1 2 286 1 1 1 LYS CD C -9.820 4.306 5.581 1.00 . A A . 1 LYS CD 1 1 2 287 1 1 1 LYS CE C -11.223 3.962 5.112 1.00 . A A . 1 LYS CE 1 1 2 288 1 1 1 LYS CG C -8.784 4.004 4.511 1.00 . A A . 1 LYS CG 1 1 2 289 1 1 1 LYS H1 H -5.867 3.153 2.239 1.00 . A A . 1 LYS H1 1 1 2 290 1 1 1 LYS H2 H -5.782 4.729 2.909 1.00 . A A . 1 LYS H2 1 1 2 291 1 1 1 LYS H3 H -7.306 4.018 2.575 1.00 . A A . 1 LYS H3 1 1 2 292 1 1 1 LYS HA H -5.385 3.372 4.668 1.00 . A A . 1 LYS HA 1 1 2 293 1 1 1 LYS HB2 H -7.402 3.594 6.065 1.00 . A A . 1 LYS HB2 1 1 2 294 1 1 1 LYS HB3 H -7.057 5.057 5.156 1.00 . A A . 1 LYS HB3 1 1 2 295 1 1 1 LYS HD2 H -9.593 3.723 6.462 1.00 . A A . 1 LYS HD2 1 1 2 296 1 1 1 LYS HD3 H -9.777 5.358 5.824 1.00 . A A . 1 LYS HD3 1 1 2 297 1 1 1 LYS HE2 H -11.930 4.574 5.651 1.00 . A A . 1 LYS HE2 1 1 2 298 1 1 1 LYS HE3 H -11.297 4.173 4.055 1.00 . A A . 1 LYS HE3 1 1 2 299 1 1 1 LYS HG2 H -8.861 4.747 3.731 1.00 . A A . 1 LYS HG2 1 1 2 300 1 1 1 LYS HG3 H -8.980 3.025 4.100 1.00 . A A . 1 LYS HG3 1 1 2 301 1 1 1 LYS HZ1 H -11.021 2.166 6.162 1.00 . A A . 1 LYS HZ1 1 1 2 302 1 1 1 LYS HZ2 H -11.302 1.963 4.507 1.00 . A A . 1 LYS HZ2 1 1 2 303 1 1 1 LYS HZ3 H -12.570 2.420 5.529 1.00 . A A . 1 LYS HZ3 1 1 2 304 1 1 1 LYS N N -6.324 3.843 2.866 1.00 . A A . 1 LYS N 1 1 2 305 1 1 1 LYS NZ N -11.552 2.528 5.343 1.00 . A A . 1 LYS NZ 1 1 2 306 1 1 1 LYS O O -6.252 1.009 5.050 1.00 . A A . 1 LYS O 1 1 2 307 1 1 2 TRP C C -7.090 -1.000 2.542 1.00 . A A . 2 TRP C 1 1 2 308 1 1 2 TRP CA C -8.030 0.076 3.140 1.00 . A A . 2 TRP CA 1 1 2 309 1 1 2 TRP CB C -9.391 0.059 2.458 1.00 . A A . 2 TRP CB 1 1 2 310 1 1 2 TRP CD1 C -10.743 1.986 1.600 1.00 . A A . 2 TRP CD1 1 1 2 311 1 1 2 TRP CD2 C -8.656 1.947 0.951 1.00 . A A . 2 TRP CD2 1 1 2 312 1 1 2 TRP CE2 C -9.242 3.061 0.360 1.00 . A A . 2 TRP CE2 1 1 2 313 1 1 2 TRP CE3 C -7.339 1.666 0.747 1.00 . A A . 2 TRP CE3 1 1 2 314 1 1 2 TRP CG C -9.627 1.279 1.685 1.00 . A A . 2 TRP CG 1 1 2 315 1 1 2 TRP CH2 C -7.189 3.623 -0.643 1.00 . A A . 2 TRP CH2 1 1 2 316 1 1 2 TRP CZ2 C -8.517 3.922 -0.456 1.00 . A A . 2 TRP CZ2 1 1 2 317 1 1 2 TRP CZ3 C -6.608 2.496 -0.033 1.00 . A A . 2 TRP CZ3 1 1 2 318 1 1 2 TRP H H -7.886 2.134 2.689 1.00 . A A . 2 TRP H 1 1 2 319 1 1 2 TRP HA H -8.184 -0.191 4.108 1.00 . A A . 2 TRP HA 1 1 2 320 1 1 2 TRP HB2 H -9.447 -0.773 1.784 1.00 . A A . 2 TRP HB2 1 1 2 321 1 1 2 TRP HB3 H -10.163 -0.024 3.201 1.00 . A A . 2 TRP HB3 1 1 2 322 1 1 2 TRP HD1 H -11.632 1.712 2.104 1.00 . A A . 2 TRP HD1 1 1 2 323 1 1 2 TRP HE1 H -11.220 3.725 0.524 1.00 . A A . 2 TRP HE1 1 1 2 324 1 1 2 TRP HE3 H -6.882 0.803 1.238 1.00 . A A . 2 TRP HE3 1 1 2 325 1 1 2 TRP HH2 H -6.569 4.259 -1.259 1.00 . A A . 2 TRP HH2 1 1 2 326 1 1 2 TRP HZ2 H -8.962 4.787 -0.925 1.00 . A A . 2 TRP HZ2 1 1 2 327 1 1 2 TRP HZ3 H -5.580 2.282 -0.175 1.00 . A A . 2 TRP HZ3 1 1 2 328 1 1 2 TRP N N -7.533 1.439 3.268 1.00 . A A . 2 TRP N 1 1 2 329 1 1 2 TRP NE1 N -10.550 3.068 0.767 1.00 . A A . 2 TRP NE1 1 1 2 330 1 1 2 TRP O O -6.189 -1.477 3.231 1.00 . A A . 2 TRP O 1 1 2 331 1 1 3 LYS C C -5.393 -2.022 -0.101 1.00 . A A . 3 LYS C 1 1 2 332 1 1 3 LYS CA C -6.569 -2.524 0.681 1.00 . A A . 3 LYS CA 1 1 2 333 1 1 3 LYS CB C -7.462 -3.397 -0.202 1.00 . A A . 3 LYS CB 1 1 2 334 1 1 3 LYS CD C -9.472 -4.895 -0.370 1.00 . A A . 3 LYS CD 1 1 2 335 1 1 3 LYS CE C -10.161 -3.997 -1.384 1.00 . A A . 3 LYS CE 1 1 2 336 1 1 3 LYS CG C -8.573 -4.099 0.561 1.00 . A A . 3 LYS CG 1 1 2 337 1 1 3 LYS H H -8.087 -1.067 0.791 1.00 . A A . 3 LYS H 1 1 2 338 1 1 3 LYS HA H -6.192 -3.111 1.475 1.00 . A A . 3 LYS HA 1 1 2 339 1 1 3 LYS HB2 H -7.914 -2.775 -0.962 1.00 . A A . 3 LYS HB2 1 1 2 340 1 1 3 LYS HB3 H -6.852 -4.149 -0.680 1.00 . A A . 3 LYS HB3 1 1 2 341 1 1 3 LYS HD2 H -8.874 -5.623 -0.898 1.00 . A A . 3 LYS HD2 1 1 2 342 1 1 3 LYS HD3 H -10.223 -5.402 0.218 1.00 . A A . 3 LYS HD3 1 1 2 343 1 1 3 LYS HE2 H -10.478 -3.092 -0.888 1.00 . A A . 3 LYS HE2 1 1 2 344 1 1 3 LYS HE3 H -9.456 -3.750 -2.165 1.00 . A A . 3 LYS HE3 1 1 2 345 1 1 3 LYS HG2 H -8.132 -4.772 1.282 1.00 . A A . 3 LYS HG2 1 1 2 346 1 1 3 LYS HG3 H -9.167 -3.357 1.075 1.00 . A A . 3 LYS HG3 1 1 2 347 1 1 3 LYS HZ1 H -12.218 -4.337 -1.517 1.00 . A A . 3 LYS HZ1 1 1 2 348 1 1 3 LYS HZ2 H -11.274 -5.688 -1.898 1.00 . A A . 3 LYS HZ2 1 1 2 349 1 1 3 LYS HZ3 H -11.413 -4.416 -3.004 1.00 . A A . 3 LYS HZ3 1 1 2 350 1 1 3 LYS N N -7.347 -1.442 1.292 1.00 . A A . 3 LYS N 1 1 2 351 1 1 3 LYS NZ N -11.349 -4.655 -1.993 1.00 . A A . 3 LYS NZ 1 1 2 352 1 1 3 LYS O O -4.501 -2.773 -0.488 1.00 . A A . 3 LYS O 1 1 2 353 1 1 4 LEU C C -3.352 0.467 0.076 1.00 . A A . 4 LEU C 1 1 2 354 1 1 4 LEU CA C -4.293 -0.102 -0.962 1.00 . A A . 4 LEU CA 1 1 2 355 1 1 4 LEU CB C -4.776 0.990 -1.870 1.00 . A A . 4 LEU CB 1 1 2 356 1 1 4 LEU CD1 C -5.670 1.385 -4.178 1.00 . A A . 4 LEU CD1 1 1 2 357 1 1 4 LEU CD2 C -3.200 1.302 -3.794 1.00 . A A . 4 LEU CD2 1 1 2 358 1 1 4 LEU CG C -4.552 0.753 -3.364 1.00 . A A . 4 LEU CG 1 1 2 359 1 1 4 LEU H H -6.100 -0.229 0.093 1.00 . A A . 4 LEU H 1 1 2 360 1 1 4 LEU HA H -3.775 -0.848 -1.546 1.00 . A A . 4 LEU HA 1 1 2 361 1 1 4 LEU HB2 H -5.828 1.117 -1.695 1.00 . A A . 4 LEU HB2 1 1 2 362 1 1 4 LEU HB3 H -4.255 1.882 -1.583 1.00 . A A . 4 LEU HB3 1 1 2 363 1 1 4 LEU HD11 H -6.535 0.739 -4.163 1.00 . A A . 4 LEU HD11 1 1 2 364 1 1 4 LEU HD12 H -5.340 1.521 -5.198 1.00 . A A . 4 LEU HD12 1 1 2 365 1 1 4 LEU HD13 H -5.928 2.343 -3.752 1.00 . A A . 4 LEU HD13 1 1 2 366 1 1 4 LEU HD21 H -3.327 2.296 -4.196 1.00 . A A . 4 LEU HD21 1 1 2 367 1 1 4 LEU HD22 H -2.774 0.659 -4.550 1.00 . A A . 4 LEU HD22 1 1 2 368 1 1 4 LEU HD23 H -2.540 1.342 -2.940 1.00 . A A . 4 LEU HD23 1 1 2 369 1 1 4 LEU HG H -4.559 -0.310 -3.558 1.00 . A A . 4 LEU HG 1 1 2 370 1 1 4 LEU N N -5.380 -0.749 -0.283 1.00 . A A . 4 LEU N 1 1 2 371 1 1 4 LEU O O -2.155 0.579 -0.157 1.00 . A A . 4 LEU O 1 1 2 372 1 1 5 PHE C C -2.066 0.163 2.660 1.00 . A A . 5 PHE C 1 1 2 373 1 1 5 PHE CA C -3.065 1.243 2.352 1.00 . A A . 5 PHE CA 1 1 2 374 1 1 5 PHE CB C -3.921 1.522 3.572 1.00 . A A . 5 PHE CB 1 1 2 375 1 1 5 PHE CD1 C -2.861 0.601 5.653 1.00 . A A . 5 PHE CD1 1 1 2 376 1 1 5 PHE CD2 C -2.628 2.927 5.191 1.00 . A A . 5 PHE CD2 1 1 2 377 1 1 5 PHE CE1 C -2.109 0.750 6.803 1.00 . A A . 5 PHE CE1 1 1 2 378 1 1 5 PHE CE2 C -1.879 3.085 6.342 1.00 . A A . 5 PHE CE2 1 1 2 379 1 1 5 PHE CG C -3.127 1.687 4.837 1.00 . A A . 5 PHE CG 1 1 2 380 1 1 5 PHE CZ C -1.619 1.994 7.149 1.00 . A A . 5 PHE CZ 1 1 2 381 1 1 5 PHE H H -4.850 0.589 1.429 1.00 . A A . 5 PHE H 1 1 2 382 1 1 5 PHE HA H -2.555 2.139 2.041 1.00 . A A . 5 PHE HA 1 1 2 383 1 1 5 PHE HB2 H -4.463 2.428 3.398 1.00 . A A . 5 PHE HB2 1 1 2 384 1 1 5 PHE HB3 H -4.618 0.702 3.708 1.00 . A A . 5 PHE HB3 1 1 2 385 1 1 5 PHE HD1 H -3.246 -0.372 5.384 1.00 . A A . 5 PHE HD1 1 1 2 386 1 1 5 PHE HD2 H -2.829 3.777 4.557 1.00 . A A . 5 PHE HD2 1 1 2 387 1 1 5 PHE HE1 H -1.909 -0.105 7.432 1.00 . A A . 5 PHE HE1 1 1 2 388 1 1 5 PHE HE2 H -1.496 4.058 6.609 1.00 . A A . 5 PHE HE2 1 1 2 389 1 1 5 PHE HZ H -1.032 2.113 8.047 1.00 . A A . 5 PHE HZ 1 1 2 390 1 1 5 PHE N N -3.891 0.759 1.265 1.00 . A A . 5 PHE N 1 1 2 391 1 1 5 PHE O O -0.961 0.403 3.146 1.00 . A A . 5 PHE O 1 1 2 392 1 1 6 LYS C C -0.813 -2.371 1.260 1.00 . A A . 6 LYS C 1 1 2 393 1 1 6 LYS CA C -1.699 -2.207 2.483 1.00 . A A . 6 LYS CA 1 1 2 394 1 1 6 LYS CB C -2.603 -3.421 2.705 1.00 . A A . 6 LYS CB 1 1 2 395 1 1 6 LYS CD C -3.261 -5.470 1.408 1.00 . A A . 6 LYS CD 1 1 2 396 1 1 6 LYS CE C -4.538 -6.018 0.793 1.00 . A A . 6 LYS CE 1 1 2 397 1 1 6 LYS CG C -3.265 -3.951 1.445 1.00 . A A . 6 LYS CG 1 1 2 398 1 1 6 LYS H H -3.368 -1.115 1.911 1.00 . A A . 6 LYS H 1 1 2 399 1 1 6 LYS HA H -1.089 -2.057 3.348 1.00 . A A . 6 LYS HA 1 1 2 400 1 1 6 LYS HB2 H -2.021 -4.216 3.144 1.00 . A A . 6 LYS HB2 1 1 2 401 1 1 6 LYS HB3 H -3.386 -3.135 3.395 1.00 . A A . 6 LYS HB3 1 1 2 402 1 1 6 LYS HD2 H -2.419 -5.805 0.819 1.00 . A A . 6 LYS HD2 1 1 2 403 1 1 6 LYS HD3 H -3.168 -5.845 2.417 1.00 . A A . 6 LYS HD3 1 1 2 404 1 1 6 LYS HE2 H -4.922 -6.803 1.428 1.00 . A A . 6 LYS HE2 1 1 2 405 1 1 6 LYS HE3 H -5.265 -5.221 0.731 1.00 . A A . 6 LYS HE3 1 1 2 406 1 1 6 LYS HG2 H -4.288 -3.602 1.422 1.00 . A A . 6 LYS HG2 1 1 2 407 1 1 6 LYS HG3 H -2.735 -3.575 0.581 1.00 . A A . 6 LYS HG3 1 1 2 408 1 1 6 LYS HZ1 H -5.155 -7.075 -0.900 1.00 . A A . 6 LYS HZ1 1 1 2 409 1 1 6 LYS HZ2 H -3.506 -7.233 -0.556 1.00 . A A . 6 LYS HZ2 1 1 2 410 1 1 6 LYS HZ3 H -4.094 -5.800 -1.236 1.00 . A A . 6 LYS HZ3 1 1 2 411 1 1 6 LYS N N -2.491 -1.034 2.318 1.00 . A A . 6 LYS N 1 1 2 412 1 1 6 LYS NZ N -4.307 -6.570 -0.571 1.00 . A A . 6 LYS NZ 1 1 2 413 1 1 6 LYS O O 0.275 -2.942 1.338 1.00 . A A . 6 LYS O 1 1 2 414 1 1 7 LYS C C 0.442 -0.701 -1.159 1.00 . A A . 7 LYS C 1 1 2 415 1 1 7 LYS CA C -0.500 -1.875 -1.096 1.00 . A A . 7 LYS CA 1 1 2 416 1 1 7 LYS CB C -1.414 -1.900 -2.322 1.00 . A A . 7 LYS CB 1 1 2 417 1 1 7 LYS CD C -0.257 -1.077 -4.394 1.00 . A A . 7 LYS CD 1 1 2 418 1 1 7 LYS CE C 1.056 -1.329 -5.117 1.00 . A A . 7 LYS CE 1 1 2 419 1 1 7 LYS CG C -0.702 -2.297 -3.604 1.00 . A A . 7 LYS CG 1 1 2 420 1 1 7 LYS H H -2.145 -1.346 0.123 1.00 . A A . 7 LYS H 1 1 2 421 1 1 7 LYS HA H 0.091 -2.757 -1.072 1.00 . A A . 7 LYS HA 1 1 2 422 1 1 7 LYS HB2 H -2.213 -2.605 -2.147 1.00 . A A . 7 LYS HB2 1 1 2 423 1 1 7 LYS HB3 H -1.836 -0.916 -2.461 1.00 . A A . 7 LYS HB3 1 1 2 424 1 1 7 LYS HD2 H -1.016 -0.836 -5.123 1.00 . A A . 7 LYS HD2 1 1 2 425 1 1 7 LYS HD3 H -0.130 -0.247 -3.715 1.00 . A A . 7 LYS HD3 1 1 2 426 1 1 7 LYS HE2 H 1.871 -1.130 -4.437 1.00 . A A . 7 LYS HE2 1 1 2 427 1 1 7 LYS HE3 H 1.090 -2.365 -5.426 1.00 . A A . 7 LYS HE3 1 1 2 428 1 1 7 LYS HG2 H 0.167 -2.889 -3.355 1.00 . A A . 7 LYS HG2 1 1 2 429 1 1 7 LYS HG3 H -1.376 -2.883 -4.212 1.00 . A A . 7 LYS HG3 1 1 2 430 1 1 7 LYS HZ1 H 0.773 -0.917 -7.145 1.00 . A A . 7 LYS HZ1 1 1 2 431 1 1 7 LYS HZ2 H 2.213 -0.294 -6.515 1.00 . A A . 7 LYS HZ2 1 1 2 432 1 1 7 LYS HZ3 H 0.740 0.456 -6.155 1.00 . A A . 7 LYS HZ3 1 1 2 433 1 1 7 LYS N N -1.274 -1.821 0.128 1.00 . A A . 7 LYS N 1 1 2 434 1 1 7 LYS NZ N 1.206 -0.461 -6.317 1.00 . A A . 7 LYS NZ 1 1 2 435 1 1 7 LYS O O 1.405 -0.700 -1.928 1.00 . A A . 7 LYS O 1 1 2 436 1 1 8 ILE C C 2.071 1.348 0.785 1.00 . A A . 8 ILE C 1 1 2 437 1 1 8 ILE CA C 1.024 1.464 -0.308 1.00 . A A . 8 ILE CA 1 1 2 438 1 1 8 ILE CB C 0.201 2.762 -0.138 1.00 . A A . 8 ILE CB 1 1 2 439 1 1 8 ILE CD1 C -1.806 3.836 -1.278 1.00 . A A . 8 ILE CD1 1 1 2 440 1 1 8 ILE CG1 C -0.481 3.129 -1.458 1.00 . A A . 8 ILE CG1 1 1 2 441 1 1 8 ILE CG2 C 1.078 3.910 0.345 1.00 . A A . 8 ILE CG2 1 1 2 442 1 1 8 ILE H H -0.598 0.238 0.275 1.00 . A A . 8 ILE H 1 1 2 443 1 1 8 ILE HA H 1.526 1.490 -1.249 1.00 . A A . 8 ILE HA 1 1 2 444 1 1 8 ILE HB H -0.558 2.582 0.609 1.00 . A A . 8 ILE HB 1 1 2 445 1 1 8 ILE HD11 H -1.805 4.754 -1.847 1.00 . A A . 8 ILE HD11 1 1 2 446 1 1 8 ILE HD12 H -1.954 4.061 -0.233 1.00 . A A . 8 ILE HD12 1 1 2 447 1 1 8 ILE HD13 H -2.604 3.198 -1.626 1.00 . A A . 8 ILE HD13 1 1 2 448 1 1 8 ILE HG12 H 0.169 3.783 -2.021 1.00 . A A . 8 ILE HG12 1 1 2 449 1 1 8 ILE HG13 H -0.658 2.228 -2.026 1.00 . A A . 8 ILE HG13 1 1 2 450 1 1 8 ILE HG21 H 1.451 3.683 1.334 1.00 . A A . 8 ILE HG21 1 1 2 451 1 1 8 ILE HG22 H 0.495 4.819 0.378 1.00 . A A . 8 ILE HG22 1 1 2 452 1 1 8 ILE HG23 H 1.909 4.039 -0.333 1.00 . A A . 8 ILE HG23 1 1 2 453 1 1 8 ILE N N 0.178 0.296 -0.333 1.00 . A A . 8 ILE N 1 1 2 454 1 1 8 ILE O O 3.181 1.866 0.664 1.00 . A A . 8 ILE O 1 1 2 455 1 1 9 GLY C C 3.695 -0.568 2.563 1.00 . A A . 9 GLY C 1 1 2 456 1 1 9 GLY CA C 2.626 0.436 2.933 1.00 . A A . 9 GLY CA 1 1 2 457 1 1 9 GLY H H 0.820 0.248 1.853 1.00 . A A . 9 GLY H 1 1 2 458 1 1 9 GLY HA2 H 3.095 1.377 3.188 1.00 . A A . 9 GLY HA2 1 1 2 459 1 1 9 GLY HA3 H 2.079 0.070 3.788 1.00 . A A . 9 GLY HA3 1 1 2 460 1 1 9 GLY N N 1.711 0.645 1.835 1.00 . A A . 9 GLY N 1 1 2 461 1 1 9 GLY O O 4.841 -0.481 3.006 1.00 . A A . 9 GLY O 1 1 2 462 1 1 10 ALA C C 5.270 -1.920 0.333 1.00 . A A . 10 ALA C 1 1 2 463 1 1 10 ALA CA C 4.294 -2.520 1.313 1.00 . A A . 10 ALA CA 1 1 2 464 1 1 10 ALA CB C 3.622 -3.749 0.728 1.00 . A A . 10 ALA CB 1 1 2 465 1 1 10 ALA H H 2.419 -1.555 1.381 1.00 . A A . 10 ALA H 1 1 2 466 1 1 10 ALA HA H 4.847 -2.805 2.196 1.00 . A A . 10 ALA HA 1 1 2 467 1 1 10 ALA HB1 H 2.679 -3.468 0.285 1.00 . A A . 10 ALA HB1 1 1 2 468 1 1 10 ALA HB2 H 3.454 -4.473 1.511 1.00 . A A . 10 ALA HB2 1 1 2 469 1 1 10 ALA HB3 H 4.264 -4.177 -0.029 1.00 . A A . 10 ALA HB3 1 1 2 470 1 1 10 ALA N N 3.333 -1.526 1.727 1.00 . A A . 10 ALA N 1 1 2 471 1 1 10 ALA O O 6.451 -2.250 0.355 1.00 . A A . 10 ALA O 1 1 2 472 1 1 11 VAL C C 6.842 0.250 -0.602 1.00 . A A . 11 VAL C 1 1 2 473 1 1 11 VAL CA C 5.713 -0.348 -1.421 1.00 . A A . 11 VAL CA 1 1 2 474 1 1 11 VAL CB C 5.028 0.748 -2.250 1.00 . A A . 11 VAL CB 1 1 2 475 1 1 11 VAL CG1 C 6.028 1.398 -3.192 1.00 . A A . 11 VAL CG1 1 1 2 476 1 1 11 VAL CG2 C 3.850 0.170 -3.015 1.00 . A A . 11 VAL CG2 1 1 2 477 1 1 11 VAL H H 3.857 -0.734 -0.470 1.00 . A A . 11 VAL H 1 1 2 478 1 1 11 VAL HA H 6.119 -1.102 -2.082 1.00 . A A . 11 VAL HA 1 1 2 479 1 1 11 VAL HB H 4.658 1.504 -1.574 1.00 . A A . 11 VAL HB 1 1 2 480 1 1 11 VAL HG11 H 7.029 1.234 -2.818 1.00 . A A . 11 VAL HG11 1 1 2 481 1 1 11 VAL HG12 H 5.834 2.459 -3.247 1.00 . A A . 11 VAL HG12 1 1 2 482 1 1 11 VAL HG13 H 5.934 0.962 -4.174 1.00 . A A . 11 VAL HG13 1 1 2 483 1 1 11 VAL HG21 H 4.130 0.018 -4.047 1.00 . A A . 11 VAL HG21 1 1 2 484 1 1 11 VAL HG22 H 3.018 0.857 -2.965 1.00 . A A . 11 VAL HG22 1 1 2 485 1 1 11 VAL HG23 H 3.566 -0.774 -2.575 1.00 . A A . 11 VAL HG23 1 1 2 486 1 1 11 VAL N N 4.803 -1.000 -0.502 1.00 . A A . 11 VAL N 1 1 2 487 1 1 11 VAL O O 7.996 0.280 -1.025 1.00 . A A . 11 VAL O 1 1 2 488 1 1 12 LEU C C 8.611 0.208 1.648 1.00 . A A . 12 LEU C 1 1 2 489 1 1 12 LEU CA C 7.453 1.181 1.564 1.00 . A A . 12 LEU CA 1 1 2 490 1 1 12 LEU CB C 6.797 1.286 2.937 1.00 . A A . 12 LEU CB 1 1 2 491 1 1 12 LEU CD1 C 7.452 3.396 4.121 1.00 . A A . 12 LEU CD1 1 1 2 492 1 1 12 LEU CD2 C 7.375 1.234 5.375 1.00 . A A . 12 LEU CD2 1 1 2 493 1 1 12 LEU CG C 7.670 1.894 4.036 1.00 . A A . 12 LEU CG 1 1 2 494 1 1 12 LEU H H 5.558 0.554 0.901 1.00 . A A . 12 LEU H 1 1 2 495 1 1 12 LEU HA H 7.796 2.151 1.235 1.00 . A A . 12 LEU HA 1 1 2 496 1 1 12 LEU HB2 H 5.900 1.882 2.840 1.00 . A A . 12 LEU HB2 1 1 2 497 1 1 12 LEU HB3 H 6.511 0.280 3.242 1.00 . A A . 12 LEU HB3 1 1 2 498 1 1 12 LEU HD11 H 7.798 3.757 5.078 1.00 . A A . 12 LEU HD11 1 1 2 499 1 1 12 LEU HD12 H 6.399 3.614 4.013 1.00 . A A . 12 LEU HD12 1 1 2 500 1 1 12 LEU HD13 H 8.003 3.885 3.331 1.00 . A A . 12 LEU HD13 1 1 2 501 1 1 12 LEU HD21 H 6.468 1.647 5.788 1.00 . A A . 12 LEU HD21 1 1 2 502 1 1 12 LEU HD22 H 8.195 1.417 6.054 1.00 . A A . 12 LEU HD22 1 1 2 503 1 1 12 LEU HD23 H 7.256 0.170 5.234 1.00 . A A . 12 LEU HD23 1 1 2 504 1 1 12 LEU HG H 8.709 1.721 3.797 1.00 . A A . 12 LEU HG 1 1 2 505 1 1 12 LEU N N 6.490 0.659 0.615 1.00 . A A . 12 LEU N 1 1 2 506 1 1 12 LEU O O 9.776 0.587 1.764 1.00 . A A . 12 LEU O 1 1 2 507 1 1 13 LYS C C 9.875 -2.313 0.264 1.00 . A A . 13 LYS C 1 1 2 508 1 1 13 LYS CA C 9.193 -2.157 1.611 1.00 . A A . 13 LYS CA 1 1 2 509 1 1 13 LYS CB C 8.466 -3.452 1.961 1.00 . A A . 13 LYS CB 1 1 2 510 1 1 13 LYS CD C 8.974 -3.703 4.409 1.00 . A A . 13 LYS CD 1 1 2 511 1 1 13 LYS CE C 8.408 -4.336 5.669 1.00 . A A . 13 LYS CE 1 1 2 512 1 1 13 LYS CG C 7.891 -3.469 3.369 1.00 . A A . 13 LYS CG 1 1 2 513 1 1 13 LYS H H 7.289 -1.272 1.461 1.00 . A A . 13 LYS H 1 1 2 514 1 1 13 LYS HA H 9.923 -1.940 2.368 1.00 . A A . 13 LYS HA 1 1 2 515 1 1 13 LYS HB2 H 7.652 -3.587 1.259 1.00 . A A . 13 LYS HB2 1 1 2 516 1 1 13 LYS HB3 H 9.155 -4.277 1.864 1.00 . A A . 13 LYS HB3 1 1 2 517 1 1 13 LYS HD2 H 9.723 -4.361 3.993 1.00 . A A . 13 LYS HD2 1 1 2 518 1 1 13 LYS HD3 H 9.426 -2.755 4.664 1.00 . A A . 13 LYS HD3 1 1 2 519 1 1 13 LYS HE2 H 7.926 -5.265 5.406 1.00 . A A . 13 LYS HE2 1 1 2 520 1 1 13 LYS HE3 H 9.220 -4.535 6.353 1.00 . A A . 13 LYS HE3 1 1 2 521 1 1 13 LYS HG2 H 7.417 -2.520 3.565 1.00 . A A . 13 LYS HG2 1 1 2 522 1 1 13 LYS HG3 H 7.159 -4.261 3.439 1.00 . A A . 13 LYS HG3 1 1 2 523 1 1 13 LYS HZ1 H 7.593 -2.457 6.082 1.00 . A A . 13 LYS HZ1 1 1 2 524 1 1 13 LYS HZ2 H 7.490 -3.546 7.372 1.00 . A A . 13 LYS HZ2 1 1 2 525 1 1 13 LYS HZ3 H 6.452 -3.707 6.047 1.00 . A A . 13 LYS HZ3 1 1 2 526 1 1 13 LYS N N 8.244 -1.064 1.566 1.00 . A A . 13 LYS N 1 1 2 527 1 1 13 LYS NZ N 7.416 -3.449 6.340 1.00 . A A . 13 LYS NZ 1 1 2 528 1 1 13 LYS O O 11.058 -2.642 0.177 1.00 . A A . 13 LYS O 1 1 2 529 1 1 14 VAL C C 10.386 -0.954 -2.549 1.00 . A A . 14 VAL C 1 1 2 530 1 1 14 VAL CA C 9.579 -2.187 -2.144 1.00 . A A . 14 VAL CA 1 1 2 531 1 1 14 VAL CB C 8.384 -2.397 -3.105 1.00 . A A . 14 VAL CB 1 1 2 532 1 1 14 VAL CG1 C 8.191 -1.214 -4.049 1.00 . A A . 14 VAL CG1 1 1 2 533 1 1 14 VAL CG2 C 8.548 -3.690 -3.888 1.00 . A A . 14 VAL CG2 1 1 2 534 1 1 14 VAL H H 8.171 -1.825 -0.641 1.00 . A A . 14 VAL H 1 1 2 535 1 1 14 VAL HA H 10.208 -3.053 -2.193 1.00 . A A . 14 VAL HA 1 1 2 536 1 1 14 VAL HB H 7.491 -2.485 -2.497 1.00 . A A . 14 VAL HB 1 1 2 537 1 1 14 VAL HG11 H 8.175 -0.297 -3.479 1.00 . A A . 14 VAL HG11 1 1 2 538 1 1 14 VAL HG12 H 7.258 -1.325 -4.580 1.00 . A A . 14 VAL HG12 1 1 2 539 1 1 14 VAL HG13 H 9.006 -1.183 -4.757 1.00 . A A . 14 VAL HG13 1 1 2 540 1 1 14 VAL HG21 H 8.097 -4.504 -3.340 1.00 . A A . 14 VAL HG21 1 1 2 541 1 1 14 VAL HG22 H 9.599 -3.893 -4.033 1.00 . A A . 14 VAL HG22 1 1 2 542 1 1 14 VAL HG23 H 8.065 -3.593 -4.849 1.00 . A A . 14 VAL HG23 1 1 2 543 1 1 14 VAL N N 9.100 -2.078 -0.786 1.00 . A A . 14 VAL N 1 1 2 544 1 1 14 VAL O O 10.912 -0.879 -3.659 1.00 . A A . 14 VAL O 1 1 2 545 1 1 15 LEU C C 12.471 1.311 -1.071 1.00 . A A . 15 LEU C 1 1 2 546 1 1 15 LEU CA C 11.184 1.249 -1.890 1.00 . A A . 15 LEU CA 1 1 2 547 1 1 15 LEU CB C 10.278 2.428 -1.548 1.00 . A A . 15 LEU CB 1 1 2 548 1 1 15 LEU CD1 C 9.168 2.808 -3.763 1.00 . A A . 15 LEU CD1 1 1 2 549 1 1 15 LEU CD2 C 9.431 4.707 -2.157 1.00 . A A . 15 LEU CD2 1 1 2 550 1 1 15 LEU CG C 10.050 3.423 -2.687 1.00 . A A . 15 LEU CG 1 1 2 551 1 1 15 LEU H H 10.016 -0.108 -0.781 1.00 . A A . 15 LEU H 1 1 2 552 1 1 15 LEU HA H 11.434 1.292 -2.941 1.00 . A A . 15 LEU HA 1 1 2 553 1 1 15 LEU HB2 H 9.316 2.030 -1.243 1.00 . A A . 15 LEU HB2 1 1 2 554 1 1 15 LEU HB3 H 10.707 2.961 -0.713 1.00 . A A . 15 LEU HB3 1 1 2 555 1 1 15 LEU HD11 H 9.227 1.731 -3.705 1.00 . A A . 15 LEU HD11 1 1 2 556 1 1 15 LEU HD12 H 9.506 3.135 -4.735 1.00 . A A . 15 LEU HD12 1 1 2 557 1 1 15 LEU HD13 H 8.145 3.122 -3.614 1.00 . A A . 15 LEU HD13 1 1 2 558 1 1 15 LEU HD21 H 9.677 4.821 -1.112 1.00 . A A . 15 LEU HD21 1 1 2 559 1 1 15 LEU HD22 H 8.358 4.664 -2.272 1.00 . A A . 15 LEU HD22 1 1 2 560 1 1 15 LEU HD23 H 9.817 5.549 -2.712 1.00 . A A . 15 LEU HD23 1 1 2 561 1 1 15 LEU HG H 11.001 3.669 -3.136 1.00 . A A . 15 LEU HG 1 1 2 562 1 1 15 LEU N N 10.465 0.010 -1.642 1.00 . A A . 15 LEU N 1 1 2 563 1 1 15 LEU O O 12.525 0.660 -0.006 1.00 . A A . 15 LEU O 1 1 2 564 1 1 15 LEU OXT O 13.412 2.010 -1.501 1.00 . A A . 15 LEU OXT 1 1 3 565 1 1 1 LYS C C -6.661 2.061 4.180 1.00 . A A . 1 LYS C 1 1 3 566 1 1 1 LYS CA C -6.262 3.523 4.178 1.00 . A A . 1 LYS CA 1 1 3 567 1 1 1 LYS CB C -7.225 4.334 5.045 1.00 . A A . 1 LYS CB 1 1 3 568 1 1 1 LYS CD C -9.676 4.448 5.603 1.00 . A A . 1 LYS CD 1 1 3 569 1 1 1 LYS CE C -10.520 5.712 5.551 1.00 . A A . 1 LYS CE 1 1 3 570 1 1 1 LYS CG C -8.639 4.423 4.489 1.00 . A A . 1 LYS CG 1 1 3 571 1 1 1 LYS H1 H -7.244 4.265 2.524 1.00 . A A . 1 LYS H1 1 1 3 572 1 1 1 LYS H2 H -5.813 3.388 2.174 1.00 . A A . 1 LYS H2 1 1 3 573 1 1 1 LYS H3 H -5.712 4.973 2.822 1.00 . A A . 1 LYS H3 1 1 3 574 1 1 1 LYS HA H -5.279 3.600 4.576 1.00 . A A . 1 LYS HA 1 1 3 575 1 1 1 LYS HB2 H -7.279 3.876 6.019 1.00 . A A . 1 LYS HB2 1 1 3 576 1 1 1 LYS HB3 H -6.840 5.336 5.148 1.00 . A A . 1 LYS HB3 1 1 3 577 1 1 1 LYS HD2 H -10.325 3.591 5.496 1.00 . A A . 1 LYS HD2 1 1 3 578 1 1 1 LYS HD3 H -9.170 4.403 6.556 1.00 . A A . 1 LYS HD3 1 1 3 579 1 1 1 LYS HE2 H -9.898 6.556 5.803 1.00 . A A . 1 LYS HE2 1 1 3 580 1 1 1 LYS HE3 H -10.903 5.834 4.548 1.00 . A A . 1 LYS HE3 1 1 3 581 1 1 1 LYS HG2 H -8.729 5.326 3.905 1.00 . A A . 1 LYS HG2 1 1 3 582 1 1 1 LYS HG3 H -8.822 3.566 3.859 1.00 . A A . 1 LYS HG3 1 1 3 583 1 1 1 LYS HZ1 H -11.409 5.085 7.335 1.00 . A A . 1 LYS HZ1 1 1 3 584 1 1 1 LYS HZ2 H -12.491 5.224 6.042 1.00 . A A . 1 LYS HZ2 1 1 3 585 1 1 1 LYS HZ3 H -11.917 6.613 6.816 1.00 . A A . 1 LYS HZ3 1 1 3 586 1 1 1 LYS N N -6.258 4.088 2.800 1.00 . A A . 1 LYS N 1 1 3 587 1 1 1 LYS NZ N -11.665 5.655 6.502 1.00 . A A . 1 LYS NZ 1 1 3 588 1 1 1 LYS O O -6.238 1.283 5.033 1.00 . A A . 1 LYS O 1 1 3 589 1 1 2 TRP C C -7.169 -0.744 2.575 1.00 . A A . 2 TRP C 1 1 3 590 1 1 2 TRP CA C -8.066 0.375 3.160 1.00 . A A . 2 TRP CA 1 1 3 591 1 1 2 TRP CB C -9.433 0.389 2.491 1.00 . A A . 2 TRP CB 1 1 3 592 1 1 2 TRP CD1 C -10.728 2.344 1.606 1.00 . A A . 2 TRP CD1 1 1 3 593 1 1 2 TRP CD2 C -8.647 2.225 0.945 1.00 . A A . 2 TRP CD2 1 1 3 594 1 1 2 TRP CE2 C -9.201 3.347 0.340 1.00 . A A . 2 TRP CE2 1 1 3 595 1 1 2 TRP CE3 C -7.341 1.897 0.738 1.00 . A A . 2 TRP CE3 1 1 3 596 1 1 2 TRP CG C -9.634 1.603 1.698 1.00 . A A . 2 TRP CG 1 1 3 597 1 1 2 TRP CH2 C -7.139 3.826 -0.687 1.00 . A A . 2 TRP CH2 1 1 3 598 1 1 2 TRP CZ2 C -8.455 4.170 -0.496 1.00 . A A . 2 TRP CZ2 1 1 3 599 1 1 2 TRP CZ3 C -6.591 2.692 -0.062 1.00 . A A . 2 TRP CZ3 1 1 3 600 1 1 2 TRP H H -7.854 2.416 2.666 1.00 . A A . 2 TRP H 1 1 3 601 1 1 2 TRP HA H -8.219 0.132 4.136 1.00 . A A . 2 TRP HA 1 1 3 602 1 1 2 TRP HB2 H -9.522 -0.452 1.835 1.00 . A A . 2 TRP HB2 1 1 3 603 1 1 2 TRP HB3 H -10.200 0.347 3.243 1.00 . A A . 2 TRP HB3 1 1 3 604 1 1 2 TRP HD1 H -11.622 2.107 2.121 1.00 . A A . 2 TRP HD1 1 1 3 605 1 1 2 TRP HE1 H -11.155 4.077 0.503 1.00 . A A . 2 TRP HE1 1 1 3 606 1 1 2 TRP HE3 H -6.908 1.028 1.239 1.00 . A A . 2 TRP HE3 1 1 3 607 1 1 2 TRP HH2 H -6.504 4.430 -1.317 1.00 . A A . 2 TRP HH2 1 1 3 608 1 1 2 TRP HZ2 H -8.875 5.041 -0.977 1.00 . A A . 2 TRP HZ2 1 1 3 609 1 1 2 TRP HZ3 H -5.570 2.443 -0.205 1.00 . A A . 2 TRP HZ3 1 1 3 610 1 1 2 TRP N N -7.521 1.722 3.255 1.00 . A A . 2 TRP N 1 1 3 611 1 1 2 TRP NE1 N -10.506 3.403 0.754 1.00 . A A . 2 TRP NE1 1 1 3 612 1 1 2 TRP O O -6.280 -1.241 3.266 1.00 . A A . 2 TRP O 1 1 3 613 1 1 3 LYS C C -5.533 -1.878 -0.067 1.00 . A A . 3 LYS C 1 1 3 614 1 1 3 LYS CA C -6.716 -2.322 0.739 1.00 . A A . 3 LYS CA 1 1 3 615 1 1 3 LYS CB C -7.647 -3.183 -0.117 1.00 . A A . 3 LYS CB 1 1 3 616 1 1 3 LYS CD C -7.590 -5.094 -1.747 1.00 . A A . 3 LYS CD 1 1 3 617 1 1 3 LYS CE C -7.839 -6.592 -1.699 1.00 . A A . 3 LYS CE 1 1 3 618 1 1 3 LYS CG C -7.096 -4.568 -0.410 1.00 . A A . 3 LYS CG 1 1 3 619 1 1 3 LYS H H -8.183 -0.810 0.833 1.00 . A A . 3 LYS H 1 1 3 620 1 1 3 LYS HA H -6.352 -2.904 1.542 1.00 . A A . 3 LYS HA 1 1 3 621 1 1 3 LYS HB2 H -8.590 -3.295 0.397 1.00 . A A . 3 LYS HB2 1 1 3 622 1 1 3 LYS HB3 H -7.818 -2.680 -1.058 1.00 . A A . 3 LYS HB3 1 1 3 623 1 1 3 LYS HD2 H -8.511 -4.593 -2.002 1.00 . A A . 3 LYS HD2 1 1 3 624 1 1 3 LYS HD3 H -6.844 -4.885 -2.502 1.00 . A A . 3 LYS HD3 1 1 3 625 1 1 3 LYS HE2 H -6.962 -7.078 -1.300 1.00 . A A . 3 LYS HE2 1 1 3 626 1 1 3 LYS HE3 H -8.681 -6.782 -1.049 1.00 . A A . 3 LYS HE3 1 1 3 627 1 1 3 LYS HG2 H -6.017 -4.519 -0.430 1.00 . A A . 3 LYS HG2 1 1 3 628 1 1 3 LYS HG3 H -7.412 -5.243 0.372 1.00 . A A . 3 LYS HG3 1 1 3 629 1 1 3 LYS HZ1 H -7.731 -8.107 -3.132 1.00 . A A . 3 LYS HZ1 1 1 3 630 1 1 3 LYS HZ2 H -7.712 -6.547 -3.783 1.00 . A A . 3 LYS HZ2 1 1 3 631 1 1 3 LYS HZ3 H -9.159 -7.200 -3.200 1.00 . A A . 3 LYS HZ3 1 1 3 632 1 1 3 LYS N N -7.452 -1.200 1.335 1.00 . A A . 3 LYS N 1 1 3 633 1 1 3 LYS NZ N -8.131 -7.150 -3.048 1.00 . A A . 3 LYS NZ 1 1 3 634 1 1 3 LYS O O -4.675 -2.669 -0.453 1.00 . A A . 3 LYS O 1 1 3 635 1 1 4 LEU C C -3.391 0.519 0.055 1.00 . A A . 4 LEU C 1 1 3 636 1 1 4 LEU CA C -4.366 -0.020 -0.968 1.00 . A A . 4 LEU CA 1 1 3 637 1 1 4 LEU CB C -4.818 1.088 -1.874 1.00 . A A . 4 LEU CB 1 1 3 638 1 1 4 LEU CD1 C -5.243 -0.505 -3.774 1.00 . A A . 4 LEU CD1 1 1 3 639 1 1 4 LEU CD2 C -5.308 1.963 -4.168 1.00 . A A . 4 LEU CD2 1 1 3 640 1 1 4 LEU CG C -4.652 0.841 -3.377 1.00 . A A . 4 LEU CG 1 1 3 641 1 1 4 LEU H H -6.164 -0.056 0.112 1.00 . A A . 4 LEU H 1 1 3 642 1 1 4 LEU HA H -3.888 -0.791 -1.550 1.00 . A A . 4 LEU HA 1 1 3 643 1 1 4 LEU HB2 H -5.855 1.270 -1.670 1.00 . A A . 4 LEU HB2 1 1 3 644 1 1 4 LEU HB3 H -4.244 1.954 -1.605 1.00 . A A . 4 LEU HB3 1 1 3 645 1 1 4 LEU HD11 H -6.320 -0.434 -3.790 1.00 . A A . 4 LEU HD11 1 1 3 646 1 1 4 LEU HD12 H -4.942 -1.257 -3.059 1.00 . A A . 4 LEU HD12 1 1 3 647 1 1 4 LEU HD13 H -4.884 -0.778 -4.756 1.00 . A A . 4 LEU HD13 1 1 3 648 1 1 4 LEU HD21 H -5.728 1.564 -5.079 1.00 . A A . 4 LEU HD21 1 1 3 649 1 1 4 LEU HD22 H -4.569 2.713 -4.409 1.00 . A A . 4 LEU HD22 1 1 3 650 1 1 4 LEU HD23 H -6.094 2.409 -3.575 1.00 . A A . 4 LEU HD23 1 1 3 651 1 1 4 LEU HG H -3.602 0.832 -3.620 1.00 . A A . 4 LEU HG 1 1 3 652 1 1 4 LEU N N -5.470 -0.611 -0.267 1.00 . A A . 4 LEU N 1 1 3 653 1 1 4 LEU O O -2.189 0.556 -0.182 1.00 . A A . 4 LEU O 1 1 3 654 1 1 5 PHE C C -2.122 0.211 2.650 1.00 . A A . 5 PHE C 1 1 3 655 1 1 5 PHE CA C -3.063 1.333 2.314 1.00 . A A . 5 PHE CA 1 1 3 656 1 1 5 PHE CB C -3.906 1.687 3.521 1.00 . A A . 5 PHE CB 1 1 3 657 1 1 5 PHE CD1 C -2.855 0.810 5.625 1.00 . A A . 5 PHE CD1 1 1 3 658 1 1 5 PHE CD2 C -2.588 3.118 5.093 1.00 . A A . 5 PHE CD2 1 1 3 659 1 1 5 PHE CE1 C -2.100 0.983 6.770 1.00 . A A . 5 PHE CE1 1 1 3 660 1 1 5 PHE CE2 C -1.835 3.298 6.238 1.00 . A A . 5 PHE CE2 1 1 3 661 1 1 5 PHE CG C -3.106 1.876 4.777 1.00 . A A . 5 PHE CG 1 1 3 662 1 1 5 PHE CZ C -1.590 2.228 7.077 1.00 . A A . 5 PHE CZ 1 1 3 663 1 1 5 PHE H H -4.881 0.758 1.403 1.00 . A A . 5 PHE H 1 1 3 664 1 1 5 PHE HA H -2.507 2.194 1.982 1.00 . A A . 5 PHE HA 1 1 3 665 1 1 5 PHE HB2 H -4.419 2.603 3.311 1.00 . A A . 5 PHE HB2 1 1 3 666 1 1 5 PHE HB3 H -4.630 0.896 3.689 1.00 . A A . 5 PHE HB3 1 1 3 667 1 1 5 PHE HD1 H -3.256 -0.163 5.385 1.00 . A A . 5 PHE HD1 1 1 3 668 1 1 5 PHE HD2 H -2.777 3.951 4.434 1.00 . A A . 5 PHE HD2 1 1 3 669 1 1 5 PHE HE1 H -1.911 0.144 7.423 1.00 . A A . 5 PHE HE1 1 1 3 670 1 1 5 PHE HE2 H -1.437 4.274 6.476 1.00 . A A . 5 PHE HE2 1 1 3 671 1 1 5 PHE HZ H -1.000 2.366 7.971 1.00 . A A . 5 PHE HZ 1 1 3 672 1 1 5 PHE N N -3.912 0.869 1.236 1.00 . A A . 5 PHE N 1 1 3 673 1 1 5 PHE O O -1.010 0.406 3.143 1.00 . A A . 5 PHE O 1 1 3 674 1 1 6 LYS C C -0.964 -2.400 1.322 1.00 . A A . 6 LYS C 1 1 3 675 1 1 6 LYS CA C -1.867 -2.177 2.523 1.00 . A A . 6 LYS CA 1 1 3 676 1 1 6 LYS CB C -2.829 -3.346 2.741 1.00 . A A . 6 LYS CB 1 1 3 677 1 1 6 LYS CD C -3.490 -5.389 1.434 1.00 . A A . 6 LYS CD 1 1 3 678 1 1 6 LYS CE C -2.081 -5.956 1.348 1.00 . A A . 6 LYS CE 1 1 3 679 1 1 6 LYS CG C -3.479 -3.869 1.472 1.00 . A A . 6 LYS CG 1 1 3 680 1 1 6 LYS H H -3.475 -1.020 1.913 1.00 . A A . 6 LYS H 1 1 3 681 1 1 6 LYS HA H -1.268 -2.046 3.398 1.00 . A A . 6 LYS HA 1 1 3 682 1 1 6 LYS HB2 H -2.295 -4.158 3.209 1.00 . A A . 6 LYS HB2 1 1 3 683 1 1 6 LYS HB3 H -3.617 -3.012 3.403 1.00 . A A . 6 LYS HB3 1 1 3 684 1 1 6 LYS HD2 H -3.961 -5.759 2.333 1.00 . A A . 6 LYS HD2 1 1 3 685 1 1 6 LYS HD3 H -4.052 -5.714 0.570 1.00 . A A . 6 LYS HD3 1 1 3 686 1 1 6 LYS HE2 H -1.901 -6.288 0.336 1.00 . A A . 6 LYS HE2 1 1 3 687 1 1 6 LYS HE3 H -1.376 -5.177 1.600 1.00 . A A . 6 LYS HE3 1 1 3 688 1 1 6 LYS HG2 H -4.497 -3.510 1.435 1.00 . A A . 6 LYS HG2 1 1 3 689 1 1 6 LYS HG3 H -2.932 -3.499 0.616 1.00 . A A . 6 LYS HG3 1 1 3 690 1 1 6 LYS HZ1 H -2.077 -7.999 1.781 1.00 . A A . 6 LYS HZ1 1 1 3 691 1 1 6 LYS HZ2 H -2.534 -7.024 3.085 1.00 . A A . 6 LYS HZ2 1 1 3 692 1 1 6 LYS HZ3 H -0.908 -7.117 2.629 1.00 . A A . 6 LYS HZ3 1 1 3 693 1 1 6 LYS N N -2.600 -0.972 2.326 1.00 . A A . 6 LYS N 1 1 3 694 1 1 6 LYS NZ N -1.886 -7.105 2.275 1.00 . A A . 6 LYS NZ 1 1 3 695 1 1 6 LYS O O 0.099 -3.010 1.438 1.00 . A A . 6 LYS O 1 1 3 696 1 1 7 LYS C C 0.414 -0.841 -1.107 1.00 . A A . 7 LYS C 1 1 3 697 1 1 7 LYS CA C -0.565 -1.986 -1.031 1.00 . A A . 7 LYS CA 1 1 3 698 1 1 7 LYS CB C -1.443 -2.073 -2.291 1.00 . A A . 7 LYS CB 1 1 3 699 1 1 7 LYS CD C -1.869 -1.016 -4.534 1.00 . A A . 7 LYS CD 1 1 3 700 1 1 7 LYS CE C -0.641 -0.761 -5.393 1.00 . A A . 7 LYS CE 1 1 3 701 1 1 7 LYS CG C -1.578 -0.767 -3.062 1.00 . A A . 7 LYS CG 1 1 3 702 1 1 7 LYS H H -2.230 -1.353 0.120 1.00 . A A . 7 LYS H 1 1 3 703 1 1 7 LYS HA H 0.005 -2.875 -0.941 1.00 . A A . 7 LYS HA 1 1 3 704 1 1 7 LYS HB2 H -1.017 -2.810 -2.956 1.00 . A A . 7 LYS HB2 1 1 3 705 1 1 7 LYS HB3 H -2.432 -2.396 -2.001 1.00 . A A . 7 LYS HB3 1 1 3 706 1 1 7 LYS HD2 H -2.179 -2.043 -4.663 1.00 . A A . 7 LYS HD2 1 1 3 707 1 1 7 LYS HD3 H -2.662 -0.355 -4.851 1.00 . A A . 7 LYS HD3 1 1 3 708 1 1 7 LYS HE2 H 0.240 -0.862 -4.775 1.00 . A A . 7 LYS HE2 1 1 3 709 1 1 7 LYS HE3 H -0.612 -1.495 -6.185 1.00 . A A . 7 LYS HE3 1 1 3 710 1 1 7 LYS HG2 H -2.384 -0.193 -2.636 1.00 . A A . 7 LYS HG2 1 1 3 711 1 1 7 LYS HG3 H -0.657 -0.213 -2.979 1.00 . A A . 7 LYS HG3 1 1 3 712 1 1 7 LYS HZ1 H -1.608 0.829 -6.343 1.00 . A A . 7 LYS HZ1 1 1 3 713 1 1 7 LYS HZ2 H 0.014 0.648 -6.788 1.00 . A A . 7 LYS HZ2 1 1 3 714 1 1 7 LYS HZ3 H -0.380 1.309 -5.282 1.00 . A A . 7 LYS HZ3 1 1 3 715 1 1 7 LYS N N -1.376 -1.864 0.163 1.00 . A A . 7 LYS N 1 1 3 716 1 1 7 LYS NZ N -0.655 0.602 -5.993 1.00 . A A . 7 LYS NZ 1 1 3 717 1 1 7 LYS O O 1.392 -0.892 -1.855 1.00 . A A . 7 LYS O 1 1 3 718 1 1 8 ILE C C 2.085 1.207 0.782 1.00 . A A . 8 ILE C 1 1 3 719 1 1 8 ILE CA C 1.043 1.331 -0.315 1.00 . A A . 8 ILE CA 1 1 3 720 1 1 8 ILE CB C 0.259 2.656 -0.175 1.00 . A A . 8 ILE CB 1 1 3 721 1 1 8 ILE CD1 C -1.552 4.013 -1.338 1.00 . A A . 8 ILE CD1 1 1 3 722 1 1 8 ILE CG1 C -0.444 2.994 -1.490 1.00 . A A . 8 ILE CG1 1 1 3 723 1 1 8 ILE CG2 C 1.178 3.795 0.246 1.00 . A A . 8 ILE CG2 1 1 3 724 1 1 8 ILE H H -0.630 0.175 0.272 1.00 . A A . 8 ILE H 1 1 3 725 1 1 8 ILE HA H 1.545 1.322 -1.258 1.00 . A A . 8 ILE HA 1 1 3 726 1 1 8 ILE HB H -0.486 2.525 0.596 1.00 . A A . 8 ILE HB 1 1 3 727 1 1 8 ILE HD11 H -1.530 4.424 -0.340 1.00 . A A . 8 ILE HD11 1 1 3 728 1 1 8 ILE HD12 H -2.506 3.536 -1.511 1.00 . A A . 8 ILE HD12 1 1 3 729 1 1 8 ILE HD13 H -1.412 4.807 -2.057 1.00 . A A . 8 ILE HD13 1 1 3 730 1 1 8 ILE HG12 H 0.279 3.393 -2.185 1.00 . A A . 8 ILE HG12 1 1 3 731 1 1 8 ILE HG13 H -0.875 2.093 -1.902 1.00 . A A . 8 ILE HG13 1 1 3 732 1 1 8 ILE HG21 H 1.583 3.587 1.226 1.00 . A A . 8 ILE HG21 1 1 3 733 1 1 8 ILE HG22 H 0.617 4.718 0.275 1.00 . A A . 8 ILE HG22 1 1 3 734 1 1 8 ILE HG23 H 1.986 3.887 -0.465 1.00 . A A . 8 ILE HG23 1 1 3 735 1 1 8 ILE N N 0.163 0.189 -0.319 1.00 . A A . 8 ILE N 1 1 3 736 1 1 8 ILE O O 3.214 1.677 0.645 1.00 . A A . 8 ILE O 1 1 3 737 1 1 9 GLY C C 3.724 -0.600 2.581 1.00 . A A . 9 GLY C 1 1 3 738 1 1 9 GLY CA C 2.604 0.345 2.960 1.00 . A A . 9 GLY CA 1 1 3 739 1 1 9 GLY H H 0.791 0.194 1.883 1.00 . A A . 9 GLY H 1 1 3 740 1 1 9 GLY HA2 H 3.026 1.295 3.255 1.00 . A A . 9 GLY HA2 1 1 3 741 1 1 9 GLY HA3 H 2.058 -0.073 3.792 1.00 . A A . 9 GLY HA3 1 1 3 742 1 1 9 GLY N N 1.697 0.552 1.854 1.00 . A A . 9 GLY N 1 1 3 743 1 1 9 GLY O O 4.866 -0.446 3.015 1.00 . A A . 9 GLY O 1 1 3 744 1 1 10 ALA C C 5.326 -1.894 0.299 1.00 . A A . 10 ALA C 1 1 3 745 1 1 10 ALA CA C 4.412 -2.526 1.320 1.00 . A A . 10 ALA CA 1 1 3 746 1 1 10 ALA CB C 3.788 -3.799 0.775 1.00 . A A . 10 ALA CB 1 1 3 747 1 1 10 ALA H H 2.491 -1.657 1.413 1.00 . A A . 10 ALA H 1 1 3 748 1 1 10 ALA HA H 5.003 -2.771 2.191 1.00 . A A . 10 ALA HA 1 1 3 749 1 1 10 ALA HB1 H 4.450 -4.231 0.038 1.00 . A A . 10 ALA HB1 1 1 3 750 1 1 10 ALA HB2 H 2.839 -3.567 0.316 1.00 . A A . 10 ALA HB2 1 1 3 751 1 1 10 ALA HB3 H 3.639 -4.502 1.581 1.00 . A A . 10 ALA HB3 1 1 3 752 1 1 10 ALA N N 3.406 -1.579 1.748 1.00 . A A . 10 ALA N 1 1 3 753 1 1 10 ALA O O 6.516 -2.197 0.260 1.00 . A A . 10 ALA O 1 1 3 754 1 1 11 VAL C C 6.816 0.295 -0.709 1.00 . A A . 11 VAL C 1 1 3 755 1 1 11 VAL CA C 5.633 -0.289 -1.469 1.00 . A A . 11 VAL CA 1 1 3 756 1 1 11 VAL CB C 4.858 0.816 -2.225 1.00 . A A . 11 VAL CB 1 1 3 757 1 1 11 VAL CG1 C 5.249 2.209 -1.746 1.00 . A A . 11 VAL CG1 1 1 3 758 1 1 11 VAL CG2 C 5.069 0.683 -3.726 1.00 . A A . 11 VAL CG2 1 1 3 759 1 1 11 VAL H H 3.845 -0.739 -0.421 1.00 . A A . 11 VAL H 1 1 3 760 1 1 11 VAL HA H 5.997 -1.025 -2.174 1.00 . A A . 11 VAL HA 1 1 3 761 1 1 11 VAL HB H 3.807 0.680 -2.022 1.00 . A A . 11 VAL HB 1 1 3 762 1 1 11 VAL HG11 H 6.232 2.455 -2.118 1.00 . A A . 11 VAL HG11 1 1 3 763 1 1 11 VAL HG12 H 5.257 2.230 -0.666 1.00 . A A . 11 VAL HG12 1 1 3 764 1 1 11 VAL HG13 H 4.534 2.930 -2.114 1.00 . A A . 11 VAL HG13 1 1 3 765 1 1 11 VAL HG21 H 6.112 0.484 -3.926 1.00 . A A . 11 VAL HG21 1 1 3 766 1 1 11 VAL HG22 H 4.777 1.601 -4.213 1.00 . A A . 11 VAL HG22 1 1 3 767 1 1 11 VAL HG23 H 4.468 -0.132 -4.102 1.00 . A A . 11 VAL HG23 1 1 3 768 1 1 11 VAL N N 4.794 -0.978 -0.505 1.00 . A A . 11 VAL N 1 1 3 769 1 1 11 VAL O O 7.939 0.359 -1.210 1.00 . A A . 11 VAL O 1 1 3 770 1 1 12 LEU C C 8.680 0.156 1.512 1.00 . A A . 12 LEU C 1 1 3 771 1 1 12 LEU CA C 7.545 1.157 1.456 1.00 . A A . 12 LEU CA 1 1 3 772 1 1 12 LEU CB C 6.934 1.294 2.846 1.00 . A A . 12 LEU CB 1 1 3 773 1 1 12 LEU CD1 C 7.211 3.127 4.542 1.00 . A A . 12 LEU CD1 1 1 3 774 1 1 12 LEU CD2 C 8.199 0.870 4.973 1.00 . A A . 12 LEU CD2 1 1 3 775 1 1 12 LEU CG C 7.855 1.902 3.908 1.00 . A A . 12 LEU CG 1 1 3 776 1 1 12 LEU H H 5.624 0.521 0.876 1.00 . A A . 12 LEU H 1 1 3 777 1 1 12 LEU HA H 7.902 2.114 1.104 1.00 . A A . 12 LEU HA 1 1 3 778 1 1 12 LEU HB2 H 6.046 1.905 2.769 1.00 . A A . 12 LEU HB2 1 1 3 779 1 1 12 LEU HB3 H 6.639 0.299 3.176 1.00 . A A . 12 LEU HB3 1 1 3 780 1 1 12 LEU HD11 H 7.512 3.197 5.577 1.00 . A A . 12 LEU HD11 1 1 3 781 1 1 12 LEU HD12 H 6.136 3.038 4.484 1.00 . A A . 12 LEU HD12 1 1 3 782 1 1 12 LEU HD13 H 7.528 4.013 4.013 1.00 . A A . 12 LEU HD13 1 1 3 783 1 1 12 LEU HD21 H 7.453 0.897 5.754 1.00 . A A . 12 LEU HD21 1 1 3 784 1 1 12 LEU HD22 H 9.168 1.094 5.393 1.00 . A A . 12 LEU HD22 1 1 3 785 1 1 12 LEU HD23 H 8.218 -0.114 4.528 1.00 . A A . 12 LEU HD23 1 1 3 786 1 1 12 LEU HG H 8.775 2.217 3.438 1.00 . A A . 12 LEU HG 1 1 3 787 1 1 12 LEU N N 6.537 0.651 0.543 1.00 . A A . 12 LEU N 1 1 3 788 1 1 12 LEU O O 9.860 0.504 1.472 1.00 . A A . 12 LEU O 1 1 3 789 1 1 13 LYS C C 9.950 -2.297 0.292 1.00 . A A . 13 LYS C 1 1 3 790 1 1 13 LYS CA C 9.202 -2.223 1.609 1.00 . A A . 13 LYS CA 1 1 3 791 1 1 13 LYS CB C 8.423 -3.520 1.818 1.00 . A A . 13 LYS CB 1 1 3 792 1 1 13 LYS CD C 8.505 -5.854 2.744 1.00 . A A . 13 LYS CD 1 1 3 793 1 1 13 LYS CE C 8.645 -5.861 4.258 1.00 . A A . 13 LYS CE 1 1 3 794 1 1 13 LYS CG C 9.303 -4.722 2.116 1.00 . A A . 13 LYS CG 1 1 3 795 1 1 13 LYS H H 7.312 -1.294 1.577 1.00 . A A . 13 LYS H 1 1 3 796 1 1 13 LYS HA H 9.892 -2.076 2.420 1.00 . A A . 13 LYS HA 1 1 3 797 1 1 13 LYS HB2 H 7.738 -3.385 2.640 1.00 . A A . 13 LYS HB2 1 1 3 798 1 1 13 LYS HB3 H 7.856 -3.726 0.917 1.00 . A A . 13 LYS HB3 1 1 3 799 1 1 13 LYS HD2 H 7.463 -5.730 2.490 1.00 . A A . 13 LYS HD2 1 1 3 800 1 1 13 LYS HD3 H 8.865 -6.795 2.353 1.00 . A A . 13 LYS HD3 1 1 3 801 1 1 13 LYS HE2 H 9.695 -5.853 4.509 1.00 . A A . 13 LYS HE2 1 1 3 802 1 1 13 LYS HE3 H 8.174 -4.973 4.654 1.00 . A A . 13 LYS HE3 1 1 3 803 1 1 13 LYS HG2 H 9.741 -5.074 1.194 1.00 . A A . 13 LYS HG2 1 1 3 804 1 1 13 LYS HG3 H 10.086 -4.424 2.798 1.00 . A A . 13 LYS HG3 1 1 3 805 1 1 13 LYS HZ1 H 7.257 -7.422 4.248 1.00 . A A . 13 LYS HZ1 1 1 3 806 1 1 13 LYS HZ2 H 7.597 -6.816 5.791 1.00 . A A . 13 LYS HZ2 1 1 3 807 1 1 13 LYS HZ3 H 8.719 -7.809 5.007 1.00 . A A . 13 LYS HZ3 1 1 3 808 1 1 13 LYS N N 8.278 -1.106 1.576 1.00 . A A . 13 LYS N 1 1 3 809 1 1 13 LYS NZ N 8.010 -7.060 4.869 1.00 . A A . 13 LYS NZ 1 1 3 810 1 1 13 LYS O O 11.143 -2.595 0.241 1.00 . A A . 13 LYS O 1 1 3 811 1 1 14 VAL C C 10.556 -0.776 -2.391 1.00 . A A . 14 VAL C 1 1 3 812 1 1 14 VAL CA C 9.732 -2.033 -2.114 1.00 . A A . 14 VAL CA 1 1 3 813 1 1 14 VAL CB C 8.556 -2.152 -3.108 1.00 . A A . 14 VAL CB 1 1 3 814 1 1 14 VAL CG1 C 8.668 -1.153 -4.256 1.00 . A A . 14 VAL CG1 1 1 3 815 1 1 14 VAL CG2 C 8.452 -3.572 -3.640 1.00 . A A . 14 VAL CG2 1 1 3 816 1 1 14 VAL H H 8.274 -1.789 -0.641 1.00 . A A . 14 VAL H 1 1 3 817 1 1 14 VAL HA H 10.354 -2.896 -2.211 1.00 . A A . 14 VAL HA 1 1 3 818 1 1 14 VAL HB H 7.647 -1.934 -2.557 1.00 . A A . 14 VAL HB 1 1 3 819 1 1 14 VAL HG11 H 7.832 -1.282 -4.927 1.00 . A A . 14 VAL HG11 1 1 3 820 1 1 14 VAL HG12 H 9.589 -1.324 -4.794 1.00 . A A . 14 VAL HG12 1 1 3 821 1 1 14 VAL HG13 H 8.662 -0.149 -3.861 1.00 . A A . 14 VAL HG13 1 1 3 822 1 1 14 VAL HG21 H 9.443 -3.984 -3.766 1.00 . A A . 14 VAL HG21 1 1 3 823 1 1 14 VAL HG22 H 7.941 -3.564 -4.592 1.00 . A A . 14 VAL HG22 1 1 3 824 1 1 14 VAL HG23 H 7.896 -4.179 -2.941 1.00 . A A . 14 VAL HG23 1 1 3 825 1 1 14 VAL N N 9.211 -2.018 -0.769 1.00 . A A . 14 VAL N 1 1 3 826 1 1 14 VAL O O 11.215 -0.661 -3.424 1.00 . A A . 14 VAL O 1 1 3 827 1 1 15 LEU C C 12.675 1.256 -1.146 1.00 . A A . 15 LEU C 1 1 3 828 1 1 15 LEU CA C 11.216 1.416 -1.566 1.00 . A A . 15 LEU CA 1 1 3 829 1 1 15 LEU CB C 10.523 2.464 -0.697 1.00 . A A . 15 LEU CB 1 1 3 830 1 1 15 LEU CD1 C 8.829 3.676 -2.091 1.00 . A A . 15 LEU CD1 1 1 3 831 1 1 15 LEU CD2 C 10.203 4.933 -0.421 1.00 . A A . 15 LEU CD2 1 1 3 832 1 1 15 LEU CG C 10.184 3.775 -1.407 1.00 . A A . 15 LEU CG 1 1 3 833 1 1 15 LEU H H 9.952 -0.003 -0.661 1.00 . A A . 15 LEU H 1 1 3 834 1 1 15 LEU HA H 11.179 1.733 -2.597 1.00 . A A . 15 LEU HA 1 1 3 835 1 1 15 LEU HB2 H 9.604 2.028 -0.325 1.00 . A A . 15 LEU HB2 1 1 3 836 1 1 15 LEU HB3 H 11.162 2.687 0.143 1.00 . A A . 15 LEU HB3 1 1 3 837 1 1 15 LEU HD11 H 8.595 2.639 -2.278 1.00 . A A . 15 LEU HD11 1 1 3 838 1 1 15 LEU HD12 H 8.859 4.214 -3.029 1.00 . A A . 15 LEU HD12 1 1 3 839 1 1 15 LEU HD13 H 8.072 4.108 -1.453 1.00 . A A . 15 LEU HD13 1 1 3 840 1 1 15 LEU HD21 H 10.829 4.679 0.421 1.00 . A A . 15 LEU HD21 1 1 3 841 1 1 15 LEU HD22 H 9.198 5.130 -0.077 1.00 . A A . 15 LEU HD22 1 1 3 842 1 1 15 LEU HD23 H 10.595 5.815 -0.908 1.00 . A A . 15 LEU HD23 1 1 3 843 1 1 15 LEU HG H 10.928 3.968 -2.167 1.00 . A A . 15 LEU HG 1 1 3 844 1 1 15 LEU N N 10.499 0.157 -1.454 1.00 . A A . 15 LEU N 1 1 3 845 1 1 15 LEU O O 13.559 1.735 -1.887 1.00 . A A . 15 LEU O 1 1 3 846 1 1 15 LEU OXT O 12.920 0.653 -0.080 1.00 . A A . 15 LEU OXT 1 1 4 847 1 1 1 LYS C C -6.648 2.240 3.936 1.00 . A A . 1 LYS C 1 1 4 848 1 1 1 LYS CA C -6.235 3.693 3.827 1.00 . A A . 1 LYS CA 1 1 4 849 1 1 1 LYS CB C -7.196 4.579 4.627 1.00 . A A . 1 LYS CB 1 1 4 850 1 1 1 LYS CD C -8.459 6.158 3.142 1.00 . A A . 1 LYS CD 1 1 4 851 1 1 1 LYS CE C -8.658 7.360 4.049 1.00 . A A . 1 LYS CE 1 1 4 852 1 1 1 LYS CG C -8.516 4.860 3.926 1.00 . A A . 1 LYS CG 1 1 4 853 1 1 1 LYS H1 H -5.731 3.417 1.850 1.00 . A A . 1 LYS H1 1 1 4 854 1 1 1 LYS H2 H -5.686 5.048 2.378 1.00 . A A . 1 LYS H2 1 1 4 855 1 1 1 LYS H3 H -7.189 4.278 2.093 1.00 . A A . 1 LYS H3 1 1 4 856 1 1 1 LYS HA H -5.255 3.788 4.227 1.00 . A A . 1 LYS HA 1 1 4 857 1 1 1 LYS HB2 H -7.413 4.092 5.563 1.00 . A A . 1 LYS HB2 1 1 4 858 1 1 1 LYS HB3 H -6.713 5.523 4.828 1.00 . A A . 1 LYS HB3 1 1 4 859 1 1 1 LYS HD2 H -7.495 6.237 2.663 1.00 . A A . 1 LYS HD2 1 1 4 860 1 1 1 LYS HD3 H -9.236 6.152 2.392 1.00 . A A . 1 LYS HD3 1 1 4 861 1 1 1 LYS HE2 H -9.087 8.165 3.472 1.00 . A A . 1 LYS HE2 1 1 4 862 1 1 1 LYS HE3 H -9.336 7.086 4.844 1.00 . A A . 1 LYS HE3 1 1 4 863 1 1 1 LYS HG2 H -8.732 4.049 3.247 1.00 . A A . 1 LYS HG2 1 1 4 864 1 1 1 LYS HG3 H -9.298 4.930 4.668 1.00 . A A . 1 LYS HG3 1 1 4 865 1 1 1 LYS HZ1 H -7.330 8.861 4.637 1.00 . A A . 1 LYS HZ1 1 1 4 866 1 1 1 LYS HZ2 H -6.570 7.447 4.105 1.00 . A A . 1 LYS HZ2 1 1 4 867 1 1 1 LYS HZ3 H -7.299 7.492 5.631 1.00 . A A . 1 LYS HZ3 1 1 4 868 1 1 1 LYS N N -6.210 4.150 2.409 1.00 . A A . 1 LYS N 1 1 4 869 1 1 1 LYS NZ N -7.375 7.823 4.647 1.00 . A A . 1 LYS NZ 1 1 4 870 1 1 1 LYS O O -6.254 1.531 4.863 1.00 . A A . 1 LYS O 1 1 4 871 1 1 2 TRP C C -7.129 -0.684 2.545 1.00 . A A . 2 TRP C 1 1 4 872 1 1 2 TRP CA C -8.032 0.480 3.027 1.00 . A A . 2 TRP CA 1 1 4 873 1 1 2 TRP CB C -9.391 0.440 2.344 1.00 . A A . 2 TRP CB 1 1 4 874 1 1 2 TRP CD1 C -10.675 2.316 1.286 1.00 . A A . 2 TRP CD1 1 1 4 875 1 1 2 TRP CD2 C -8.583 2.151 0.669 1.00 . A A . 2 TRP CD2 1 1 4 876 1 1 2 TRP CE2 C -9.130 3.220 -0.032 1.00 . A A . 2 TRP CE2 1 1 4 877 1 1 2 TRP CE3 C -7.272 1.811 0.508 1.00 . A A . 2 TRP CE3 1 1 4 878 1 1 2 TRP CG C -9.581 1.586 1.452 1.00 . A A . 2 TRP CG 1 1 4 879 1 1 2 TRP CH2 C -7.047 3.620 -1.058 1.00 . A A . 2 TRP CH2 1 1 4 880 1 1 2 TRP CZ2 C -8.368 3.977 -0.917 1.00 . A A . 2 TRP CZ2 1 1 4 881 1 1 2 TRP CZ3 C -6.509 2.542 -0.338 1.00 . A A . 2 TRP CZ3 1 1 4 882 1 1 2 TRP H H -7.801 2.469 2.364 1.00 . A A . 2 TRP H 1 1 4 883 1 1 2 TRP HA H -8.194 0.318 4.019 1.00 . A A . 2 TRP HA 1 1 4 884 1 1 2 TRP HB2 H -9.476 -0.453 1.758 1.00 . A A . 2 TRP HB2 1 1 4 885 1 1 2 TRP HB3 H -10.166 0.460 3.090 1.00 . A A . 2 TRP HB3 1 1 4 886 1 1 2 TRP HD1 H -11.575 2.118 1.805 1.00 . A A . 2 TRP HD1 1 1 4 887 1 1 2 TRP HE1 H -11.094 3.955 0.044 1.00 . A A . 2 TRP HE1 1 1 4 888 1 1 2 TRP HE3 H -6.847 0.983 1.081 1.00 . A A . 2 TRP HE3 1 1 4 889 1 1 2 TRP HH2 H -6.400 4.175 -1.721 1.00 . A A . 2 TRP HH2 1 1 4 890 1 1 2 TRP HZ2 H -8.780 4.806 -1.471 1.00 . A A . 2 TRP HZ2 1 1 4 891 1 1 2 TRP HZ3 H -5.484 2.282 -0.448 1.00 . A A . 2 TRP HZ3 1 1 4 892 1 1 2 TRP N N -7.485 1.828 3.019 1.00 . A A . 2 TRP N 1 1 4 893 1 1 2 TRP NE1 N -10.443 3.305 0.357 1.00 . A A . 2 TRP NE1 1 1 4 894 1 1 2 TRP O O -6.233 -1.109 3.274 1.00 . A A . 2 TRP O 1 1 4 895 1 1 3 LYS C C -5.483 -2.026 0.026 1.00 . A A . 3 LYS C 1 1 4 896 1 1 3 LYS CA C -6.670 -2.416 0.854 1.00 . A A . 3 LYS CA 1 1 4 897 1 1 3 LYS CB C -7.586 -3.346 0.052 1.00 . A A . 3 LYS CB 1 1 4 898 1 1 3 LYS CD C -7.868 -5.235 1.695 1.00 . A A . 3 LYS CD 1 1 4 899 1 1 3 LYS CE C -8.847 -6.312 2.145 1.00 . A A . 3 LYS CE 1 1 4 900 1 1 3 LYS CG C -8.567 -4.133 0.910 1.00 . A A . 3 LYS CG 1 1 4 901 1 1 3 LYS H H -8.144 -0.910 0.817 1.00 . A A . 3 LYS H 1 1 4 902 1 1 3 LYS HA H -6.310 -2.929 1.702 1.00 . A A . 3 LYS HA 1 1 4 903 1 1 3 LYS HB2 H -8.154 -2.753 -0.651 1.00 . A A . 3 LYS HB2 1 1 4 904 1 1 3 LYS HB3 H -6.975 -4.048 -0.495 1.00 . A A . 3 LYS HB3 1 1 4 905 1 1 3 LYS HD2 H -7.115 -5.689 1.069 1.00 . A A . 3 LYS HD2 1 1 4 906 1 1 3 LYS HD3 H -7.402 -4.800 2.565 1.00 . A A . 3 LYS HD3 1 1 4 907 1 1 3 LYS HE2 H -9.837 -6.049 1.805 1.00 . A A . 3 LYS HE2 1 1 4 908 1 1 3 LYS HE3 H -8.555 -7.253 1.702 1.00 . A A . 3 LYS HE3 1 1 4 909 1 1 3 LYS HG2 H -9.045 -3.459 1.605 1.00 . A A . 3 LYS HG2 1 1 4 910 1 1 3 LYS HG3 H -9.313 -4.578 0.266 1.00 . A A . 3 LYS HG3 1 1 4 911 1 1 3 LYS HZ1 H -8.237 -5.767 4.072 1.00 . A A . 3 LYS HZ1 1 1 4 912 1 1 3 LYS HZ2 H -8.559 -7.418 3.895 1.00 . A A . 3 LYS HZ2 1 1 4 913 1 1 3 LYS HZ3 H -9.836 -6.314 3.987 1.00 . A A . 3 LYS HZ3 1 1 4 914 1 1 3 LYS N N -7.411 -1.251 1.351 1.00 . A A . 3 LYS N 1 1 4 915 1 1 3 LYS NZ N -8.871 -6.463 3.628 1.00 . A A . 3 LYS NZ 1 1 4 916 1 1 3 LYS O O -4.603 -2.832 -0.275 1.00 . A A . 3 LYS O 1 1 4 917 1 1 4 LEU C C -3.394 0.425 -0.076 1.00 . A A . 4 LEU C 1 1 4 918 1 1 4 LEU CA C -4.355 -0.240 -1.038 1.00 . A A . 4 LEU CA 1 1 4 919 1 1 4 LEU CB C -4.827 0.748 -2.060 1.00 . A A . 4 LEU CB 1 1 4 920 1 1 4 LEU CD1 C -5.552 1.240 -4.409 1.00 . A A . 4 LEU CD1 1 1 4 921 1 1 4 LEU CD2 C -3.398 0.033 -3.993 1.00 . A A . 4 LEU CD2 1 1 4 922 1 1 4 LEU CG C -4.823 0.255 -3.507 1.00 . A A . 4 LEU CG 1 1 4 923 1 1 4 LEU H H -6.162 -0.216 0.016 1.00 . A A . 4 LEU H 1 1 4 924 1 1 4 LEU HA H -3.854 -1.055 -1.537 1.00 . A A . 4 LEU HA 1 1 4 925 1 1 4 LEU HB2 H -5.827 1.028 -1.800 1.00 . A A . 4 LEU HB2 1 1 4 926 1 1 4 LEU HB3 H -4.185 1.605 -1.985 1.00 . A A . 4 LEU HB3 1 1 4 927 1 1 4 LEU HD11 H -5.303 1.036 -5.439 1.00 . A A . 4 LEU HD11 1 1 4 928 1 1 4 LEU HD12 H -5.253 2.247 -4.159 1.00 . A A . 4 LEU HD12 1 1 4 929 1 1 4 LEU HD13 H -6.617 1.135 -4.268 1.00 . A A . 4 LEU HD13 1 1 4 930 1 1 4 LEU HD21 H -3.283 0.461 -4.977 1.00 . A A . 4 LEU HD21 1 1 4 931 1 1 4 LEU HD22 H -3.196 -1.027 -4.036 1.00 . A A . 4 LEU HD22 1 1 4 932 1 1 4 LEU HD23 H -2.705 0.505 -3.310 1.00 . A A . 4 LEU HD23 1 1 4 933 1 1 4 LEU HG H -5.344 -0.689 -3.557 1.00 . A A . 4 LEU HG 1 1 4 934 1 1 4 LEU N N -5.450 -0.786 -0.293 1.00 . A A . 4 LEU N 1 1 4 935 1 1 4 LEU O O -2.198 0.488 -0.336 1.00 . A A . 4 LEU O 1 1 4 936 1 1 5 PHE C C -2.087 0.379 2.528 1.00 . A A . 5 PHE C 1 1 4 937 1 1 5 PHE CA C -3.046 1.451 2.090 1.00 . A A . 5 PHE CA 1 1 4 938 1 1 5 PHE CB C -3.855 1.956 3.276 1.00 . A A . 5 PHE CB 1 1 4 939 1 1 5 PHE CD1 C -2.757 1.388 5.465 1.00 . A A . 5 PHE CD1 1 1 4 940 1 1 5 PHE CD2 C -2.458 3.584 4.587 1.00 . A A . 5 PHE CD2 1 1 4 941 1 1 5 PHE CE1 C -1.965 1.710 6.551 1.00 . A A . 5 PHE CE1 1 1 4 942 1 1 5 PHE CE2 C -1.667 3.915 5.673 1.00 . A A . 5 PHE CE2 1 1 4 943 1 1 5 PHE CG C -3.012 2.318 4.472 1.00 . A A . 5 PHE CG 1 1 4 944 1 1 5 PHE CZ C -1.420 2.976 6.657 1.00 . A A . 5 PHE CZ 1 1 4 945 1 1 5 PHE H H -4.868 0.732 1.281 1.00 . A A . 5 PHE H 1 1 4 946 1 1 5 PHE HA H -2.495 2.264 1.644 1.00 . A A . 5 PHE HA 1 1 4 947 1 1 5 PHE HB2 H -4.383 2.834 2.967 1.00 . A A . 5 PHE HB2 1 1 4 948 1 1 5 PHE HB3 H -4.568 1.192 3.574 1.00 . A A . 5 PHE HB3 1 1 4 949 1 1 5 PHE HD1 H -3.185 0.400 5.385 1.00 . A A . 5 PHE HD1 1 1 4 950 1 1 5 PHE HD2 H -2.648 4.317 3.816 1.00 . A A . 5 PHE HD2 1 1 4 951 1 1 5 PHE HE1 H -1.775 0.976 7.319 1.00 . A A . 5 PHE HE1 1 1 4 952 1 1 5 PHE HE2 H -1.242 4.905 5.753 1.00 . A A . 5 PHE HE2 1 1 4 953 1 1 5 PHE HZ H -0.801 3.230 7.505 1.00 . A A . 5 PHE HZ 1 1 4 954 1 1 5 PHE N N -3.909 0.862 1.082 1.00 . A A . 5 PHE N 1 1 4 955 1 1 5 PHE O O -0.973 0.638 2.981 1.00 . A A . 5 PHE O 1 1 4 956 1 1 6 LYS C C -0.862 -2.275 1.433 1.00 . A A . 6 LYS C 1 1 4 957 1 1 6 LYS CA C -1.777 -2.004 2.618 1.00 . A A . 6 LYS CA 1 1 4 958 1 1 6 LYS CB C -2.697 -3.185 2.933 1.00 . A A . 6 LYS CB 1 1 4 959 1 1 6 LYS CD C -3.435 -5.335 1.867 1.00 . A A . 6 LYS CD 1 1 4 960 1 1 6 LYS CE C -3.002 -6.058 0.600 1.00 . A A . 6 LYS CE 1 1 4 961 1 1 6 LYS CG C -3.337 -3.825 1.716 1.00 . A A . 6 LYS CG 1 1 4 962 1 1 6 LYS H H -3.421 -0.948 1.916 1.00 . A A . 6 LYS H 1 1 4 963 1 1 6 LYS HA H -1.185 -1.778 3.479 1.00 . A A . 6 LYS HA 1 1 4 964 1 1 6 LYS HB2 H -2.133 -3.940 3.457 1.00 . A A . 6 LYS HB2 1 1 4 965 1 1 6 LYS HB3 H -3.492 -2.829 3.575 1.00 . A A . 6 LYS HB3 1 1 4 966 1 1 6 LYS HD2 H -2.799 -5.649 2.681 1.00 . A A . 6 LYS HD2 1 1 4 967 1 1 6 LYS HD3 H -4.459 -5.597 2.088 1.00 . A A . 6 LYS HD3 1 1 4 968 1 1 6 LYS HE2 H -3.883 -6.415 0.087 1.00 . A A . 6 LYS HE2 1 1 4 969 1 1 6 LYS HE3 H -2.471 -5.364 -0.034 1.00 . A A . 6 LYS HE3 1 1 4 970 1 1 6 LYS HG2 H -4.333 -3.421 1.606 1.00 . A A . 6 LYS HG2 1 1 4 971 1 1 6 LYS HG3 H -2.749 -3.592 0.838 1.00 . A A . 6 LYS HG3 1 1 4 972 1 1 6 LYS HZ1 H -1.834 -7.208 1.899 1.00 . A A . 6 LYS HZ1 1 1 4 973 1 1 6 LYS HZ2 H -1.260 -7.178 0.308 1.00 . A A . 6 LYS HZ2 1 1 4 974 1 1 6 LYS HZ3 H -2.616 -8.110 0.700 1.00 . A A . 6 LYS HZ3 1 1 4 975 1 1 6 LYS N N -2.545 -0.841 2.320 1.00 . A A . 6 LYS N 1 1 4 976 1 1 6 LYS NZ N -2.116 -7.220 0.898 1.00 . A A . 6 LYS NZ 1 1 4 977 1 1 6 LYS O O 0.238 -2.806 1.587 1.00 . A A . 6 LYS O 1 1 4 978 1 1 7 LYS C C 0.444 -0.815 -1.050 1.00 . A A . 7 LYS C 1 1 4 979 1 1 7 LYS CA C -0.510 -1.983 -0.952 1.00 . A A . 7 LYS CA 1 1 4 980 1 1 7 LYS CB C -1.402 -2.071 -2.191 1.00 . A A . 7 LYS CB 1 1 4 981 1 1 7 LYS CD C 0.129 -3.449 -3.636 1.00 . A A . 7 LYS CD 1 1 4 982 1 1 7 LYS CE C 1.610 -3.208 -3.885 1.00 . A A . 7 LYS CE 1 1 4 983 1 1 7 LYS CG C -0.633 -2.140 -3.501 1.00 . A A . 7 LYS CG 1 1 4 984 1 1 7 LYS H H -2.188 -1.387 0.183 1.00 . A A . 7 LYS H 1 1 4 985 1 1 7 LYS HA H 0.075 -2.866 -0.862 1.00 . A A . 7 LYS HA 1 1 4 986 1 1 7 LYS HB2 H -2.016 -2.956 -2.114 1.00 . A A . 7 LYS HB2 1 1 4 987 1 1 7 LYS HB3 H -2.041 -1.202 -2.220 1.00 . A A . 7 LYS HB3 1 1 4 988 1 1 7 LYS HD2 H 0.016 -4.017 -2.724 1.00 . A A . 7 LYS HD2 1 1 4 989 1 1 7 LYS HD3 H -0.281 -4.008 -4.464 1.00 . A A . 7 LYS HD3 1 1 4 990 1 1 7 LYS HE2 H 1.913 -2.328 -3.341 1.00 . A A . 7 LYS HE2 1 1 4 991 1 1 7 LYS HE3 H 2.166 -4.062 -3.527 1.00 . A A . 7 LYS HE3 1 1 4 992 1 1 7 LYS HG2 H -1.332 -2.058 -4.319 1.00 . A A . 7 LYS HG2 1 1 4 993 1 1 7 LYS HG3 H 0.066 -1.318 -3.540 1.00 . A A . 7 LYS HG3 1 1 4 994 1 1 7 LYS HZ1 H 2.909 -2.780 -5.464 1.00 . A A . 7 LYS HZ1 1 1 4 995 1 1 7 LYS HZ2 H 1.330 -2.225 -5.706 1.00 . A A . 7 LYS HZ2 1 1 4 996 1 1 7 LYS HZ3 H 1.680 -3.872 -5.865 1.00 . A A . 7 LYS HZ3 1 1 4 997 1 1 7 LYS N N -1.310 -1.845 0.246 1.00 . A A . 7 LYS N 1 1 4 998 1 1 7 LYS NZ N 1.903 -3.008 -5.332 1.00 . A A . 7 LYS NZ 1 1 4 999 1 1 7 LYS O O 1.398 -0.835 -1.826 1.00 . A A . 7 LYS O 1 1 4 1000 1 1 8 ILE C C 2.119 1.217 0.865 1.00 . A A . 8 ILE C 1 1 4 1001 1 1 8 ILE CA C 1.063 1.352 -0.219 1.00 . A A . 8 ILE CA 1 1 4 1002 1 1 8 ILE CB C 0.264 2.665 -0.039 1.00 . A A . 8 ILE CB 1 1 4 1003 1 1 8 ILE CD1 C -1.679 3.861 -1.183 1.00 . A A . 8 ILE CD1 1 1 4 1004 1 1 8 ILE CG1 C -0.400 3.065 -1.358 1.00 . A A . 8 ILE CG1 1 1 4 1005 1 1 8 ILE CG2 C 1.163 3.783 0.468 1.00 . A A . 8 ILE CG2 1 1 4 1006 1 1 8 ILE H H -0.559 0.153 0.389 1.00 . A A . 8 ILE H 1 1 4 1007 1 1 8 ILE HA H 1.554 1.369 -1.167 1.00 . A A . 8 ILE HA 1 1 4 1008 1 1 8 ILE HB H -0.502 2.493 0.703 1.00 . A A . 8 ILE HB 1 1 4 1009 1 1 8 ILE HD11 H -1.434 4.872 -0.891 1.00 . A A . 8 ILE HD11 1 1 4 1010 1 1 8 ILE HD12 H -2.288 3.402 -0.419 1.00 . A A . 8 ILE HD12 1 1 4 1011 1 1 8 ILE HD13 H -2.224 3.879 -2.116 1.00 . A A . 8 ILE HD13 1 1 4 1012 1 1 8 ILE HG12 H 0.287 3.668 -1.931 1.00 . A A . 8 ILE HG12 1 1 4 1013 1 1 8 ILE HG13 H -0.639 2.172 -1.916 1.00 . A A . 8 ILE HG13 1 1 4 1014 1 1 8 ILE HG21 H 1.434 3.585 1.495 1.00 . A A . 8 ILE HG21 1 1 4 1015 1 1 8 ILE HG22 H 0.639 4.725 0.407 1.00 . A A . 8 ILE HG22 1 1 4 1016 1 1 8 ILE HG23 H 2.058 3.828 -0.136 1.00 . A A . 8 ILE HG23 1 1 4 1017 1 1 8 ILE N N 0.202 0.196 -0.229 1.00 . A A . 8 ILE N 1 1 4 1018 1 1 8 ILE O O 3.233 1.728 0.740 1.00 . A A . 8 ILE O 1 1 4 1019 1 1 9 GLY C C 3.768 -0.705 2.580 1.00 . A A . 9 GLY C 1 1 4 1020 1 1 9 GLY CA C 2.687 0.264 2.999 1.00 . A A . 9 GLY CA 1 1 4 1021 1 1 9 GLY H H 0.871 0.108 1.930 1.00 . A A . 9 GLY H 1 1 4 1022 1 1 9 GLY HA2 H 3.141 1.201 3.289 1.00 . A A . 9 GLY HA2 1 1 4 1023 1 1 9 GLY HA3 H 2.150 -0.148 3.841 1.00 . A A . 9 GLY HA3 1 1 4 1024 1 1 9 GLY N N 1.763 0.499 1.911 1.00 . A A . 9 GLY N 1 1 4 1025 1 1 9 GLY O O 4.922 -0.602 2.994 1.00 . A A . 9 GLY O 1 1 4 1026 1 1 10 ALA C C 5.296 -1.932 0.266 1.00 . A A . 10 ALA C 1 1 4 1027 1 1 10 ALA CA C 4.381 -2.599 1.259 1.00 . A A . 10 ALA CA 1 1 4 1028 1 1 10 ALA CB C 3.727 -3.833 0.662 1.00 . A A . 10 ALA CB 1 1 4 1029 1 1 10 ALA H H 2.486 -1.689 1.402 1.00 . A A . 10 ALA H 1 1 4 1030 1 1 10 ALA HA H 4.972 -2.887 2.119 1.00 . A A . 10 ALA HA 1 1 4 1031 1 1 10 ALA HB1 H 2.755 -3.572 0.272 1.00 . A A . 10 ALA HB1 1 1 4 1032 1 1 10 ALA HB2 H 3.620 -4.589 1.425 1.00 . A A . 10 ALA HB2 1 1 4 1033 1 1 10 ALA HB3 H 4.347 -4.213 -0.138 1.00 . A A . 10 ALA HB3 1 1 4 1034 1 1 10 ALA N N 3.407 -1.648 1.728 1.00 . A A . 10 ALA N 1 1 4 1035 1 1 10 ALA O O 6.481 -2.246 0.200 1.00 . A A . 10 ALA O 1 1 4 1036 1 1 11 VAL C C 6.763 0.358 -0.591 1.00 . A A . 11 VAL C 1 1 4 1037 1 1 11 VAL CA C 5.615 -0.232 -1.395 1.00 . A A . 11 VAL CA 1 1 4 1038 1 1 11 VAL CB C 4.850 0.883 -2.127 1.00 . A A . 11 VAL CB 1 1 4 1039 1 1 11 VAL CG1 C 5.791 1.673 -3.022 1.00 . A A . 11 VAL CG1 1 1 4 1040 1 1 11 VAL CG2 C 3.698 0.294 -2.926 1.00 . A A . 11 VAL CG2 1 1 4 1041 1 1 11 VAL H H 3.830 -0.711 -0.363 1.00 . A A . 11 VAL H 1 1 4 1042 1 1 11 VAL HA H 6.009 -0.934 -2.115 1.00 . A A . 11 VAL HA 1 1 4 1043 1 1 11 VAL HB H 4.441 1.555 -1.388 1.00 . A A . 11 VAL HB 1 1 4 1044 1 1 11 VAL HG11 H 5.643 2.729 -2.856 1.00 . A A . 11 VAL HG11 1 1 4 1045 1 1 11 VAL HG12 H 5.587 1.437 -4.056 1.00 . A A . 11 VAL HG12 1 1 4 1046 1 1 11 VAL HG13 H 6.813 1.412 -2.788 1.00 . A A . 11 VAL HG13 1 1 4 1047 1 1 11 VAL HG21 H 2.810 0.886 -2.767 1.00 . A A . 11 VAL HG21 1 1 4 1048 1 1 11 VAL HG22 H 3.517 -0.720 -2.601 1.00 . A A . 11 VAL HG22 1 1 4 1049 1 1 11 VAL HG23 H 3.949 0.295 -3.977 1.00 . A A . 11 VAL HG23 1 1 4 1050 1 1 11 VAL N N 4.773 -0.963 -0.473 1.00 . A A . 11 VAL N 1 1 4 1051 1 1 11 VAL O O 7.885 0.491 -1.074 1.00 . A A . 11 VAL O 1 1 4 1052 1 1 12 LEU C C 8.599 0.146 1.686 1.00 . A A . 12 LEU C 1 1 4 1053 1 1 12 LEU CA C 7.453 1.141 1.620 1.00 . A A . 12 LEU CA 1 1 4 1054 1 1 12 LEU CB C 6.817 1.257 3.001 1.00 . A A . 12 LEU CB 1 1 4 1055 1 1 12 LEU CD1 C 5.058 2.290 4.468 1.00 . A A . 12 LEU CD1 1 1 4 1056 1 1 12 LEU CD2 C 6.605 3.750 3.155 1.00 . A A . 12 LEU CD2 1 1 4 1057 1 1 12 LEU CG C 5.849 2.431 3.176 1.00 . A A . 12 LEU CG 1 1 4 1058 1 1 12 LEU H H 5.559 0.462 1.004 1.00 . A A . 12 LEU H 1 1 4 1059 1 1 12 LEU HA H 7.811 2.104 1.288 1.00 . A A . 12 LEU HA 1 1 4 1060 1 1 12 LEU HB2 H 6.279 0.329 3.195 1.00 . A A . 12 LEU HB2 1 1 4 1061 1 1 12 LEU HB3 H 7.606 1.353 3.731 1.00 . A A . 12 LEU HB3 1 1 4 1062 1 1 12 LEU HD11 H 4.837 1.247 4.644 1.00 . A A . 12 LEU HD11 1 1 4 1063 1 1 12 LEU HD12 H 4.135 2.846 4.387 1.00 . A A . 12 LEU HD12 1 1 4 1064 1 1 12 LEU HD13 H 5.641 2.678 5.291 1.00 . A A . 12 LEU HD13 1 1 4 1065 1 1 12 LEU HD21 H 5.901 4.567 3.086 1.00 . A A . 12 LEU HD21 1 1 4 1066 1 1 12 LEU HD22 H 7.268 3.773 2.303 1.00 . A A . 12 LEU HD22 1 1 4 1067 1 1 12 LEU HD23 H 7.183 3.849 4.063 1.00 . A A . 12 LEU HD23 1 1 4 1068 1 1 12 LEU HG H 5.148 2.434 2.354 1.00 . A A . 12 LEU HG 1 1 4 1069 1 1 12 LEU N N 6.466 0.641 0.679 1.00 . A A . 12 LEU N 1 1 4 1070 1 1 12 LEU O O 9.758 0.502 1.896 1.00 . A A . 12 LEU O 1 1 4 1071 1 1 13 LYS C C 9.894 -2.280 0.164 1.00 . A A . 13 LYS C 1 1 4 1072 1 1 13 LYS CA C 9.174 -2.218 1.496 1.00 . A A . 13 LYS CA 1 1 4 1073 1 1 13 LYS CB C 8.427 -3.528 1.734 1.00 . A A . 13 LYS CB 1 1 4 1074 1 1 13 LYS CD C 9.566 -5.155 3.271 1.00 . A A . 13 LYS CD 1 1 4 1075 1 1 13 LYS CE C 10.998 -5.612 3.499 1.00 . A A . 13 LYS CE 1 1 4 1076 1 1 13 LYS CG C 9.336 -4.743 1.828 1.00 . A A . 13 LYS CG 1 1 4 1077 1 1 13 LYS H H 7.287 -1.304 1.311 1.00 . A A . 13 LYS H 1 1 4 1078 1 1 13 LYS HA H 9.879 -2.053 2.288 1.00 . A A . 13 LYS HA 1 1 4 1079 1 1 13 LYS HB2 H 7.868 -3.449 2.655 1.00 . A A . 13 LYS HB2 1 1 4 1080 1 1 13 LYS HB3 H 7.737 -3.684 0.917 1.00 . A A . 13 LYS HB3 1 1 4 1081 1 1 13 LYS HD2 H 9.361 -4.312 3.913 1.00 . A A . 13 LYS HD2 1 1 4 1082 1 1 13 LYS HD3 H 8.895 -5.966 3.514 1.00 . A A . 13 LYS HD3 1 1 4 1083 1 1 13 LYS HE2 H 11.496 -5.686 2.544 1.00 . A A . 13 LYS HE2 1 1 4 1084 1 1 13 LYS HE3 H 11.503 -4.879 4.112 1.00 . A A . 13 LYS HE3 1 1 4 1085 1 1 13 LYS HG2 H 8.875 -5.564 1.299 1.00 . A A . 13 LYS HG2 1 1 4 1086 1 1 13 LYS HG3 H 10.287 -4.505 1.373 1.00 . A A . 13 LYS HG3 1 1 4 1087 1 1 13 LYS HZ1 H 11.690 -6.887 5.004 1.00 . A A . 13 LYS HZ1 1 1 4 1088 1 1 13 LYS HZ2 H 11.422 -7.657 3.523 1.00 . A A . 13 LYS HZ2 1 1 4 1089 1 1 13 LYS HZ3 H 10.110 -7.221 4.497 1.00 . A A . 13 LYS HZ3 1 1 4 1090 1 1 13 LYS N N 8.233 -1.114 1.487 1.00 . A A . 13 LYS N 1 1 4 1091 1 1 13 LYS NZ N 11.058 -6.937 4.179 1.00 . A A . 13 LYS NZ 1 1 4 1092 1 1 13 LYS O O 11.095 -2.543 0.087 1.00 . A A . 13 LYS O 1 1 4 1093 1 1 14 VAL C C 10.502 -0.792 -2.471 1.00 . A A . 14 VAL C 1 1 4 1094 1 1 14 VAL CA C 9.625 -2.014 -2.234 1.00 . A A . 14 VAL CA 1 1 4 1095 1 1 14 VAL CB C 8.437 -2.014 -3.212 1.00 . A A . 14 VAL CB 1 1 4 1096 1 1 14 VAL CG1 C 8.874 -1.672 -4.633 1.00 . A A . 14 VAL CG1 1 1 4 1097 1 1 14 VAL CG2 C 7.722 -3.355 -3.178 1.00 . A A . 14 VAL CG2 1 1 4 1098 1 1 14 VAL H H 8.189 -1.809 -0.734 1.00 . A A . 14 VAL H 1 1 4 1099 1 1 14 VAL HA H 10.197 -2.901 -2.379 1.00 . A A . 14 VAL HA 1 1 4 1100 1 1 14 VAL HB H 7.739 -1.258 -2.872 1.00 . A A . 14 VAL HB 1 1 4 1101 1 1 14 VAL HG11 H 8.005 -1.612 -5.271 1.00 . A A . 14 VAL HG11 1 1 4 1102 1 1 14 VAL HG12 H 9.536 -2.441 -5.001 1.00 . A A . 14 VAL HG12 1 1 4 1103 1 1 14 VAL HG13 H 9.388 -0.722 -4.635 1.00 . A A . 14 VAL HG13 1 1 4 1104 1 1 14 VAL HG21 H 6.662 -3.200 -3.315 1.00 . A A . 14 VAL HG21 1 1 4 1105 1 1 14 VAL HG22 H 7.895 -3.830 -2.224 1.00 . A A . 14 VAL HG22 1 1 4 1106 1 1 14 VAL HG23 H 8.099 -3.986 -3.969 1.00 . A A . 14 VAL HG23 1 1 4 1107 1 1 14 VAL N N 9.128 -2.019 -0.881 1.00 . A A . 14 VAL N 1 1 4 1108 1 1 14 VAL O O 11.321 -0.753 -3.390 1.00 . A A . 14 VAL O 1 1 4 1109 1 1 15 LEU C C 12.535 1.223 -1.476 1.00 . A A . 15 LEU C 1 1 4 1110 1 1 15 LEU CA C 11.041 1.451 -1.684 1.00 . A A . 15 LEU CA 1 1 4 1111 1 1 15 LEU CB C 10.495 2.402 -0.620 1.00 . A A . 15 LEU CB 1 1 4 1112 1 1 15 LEU CD1 C 8.849 4.074 -1.507 1.00 . A A . 15 LEU CD1 1 1 4 1113 1 1 15 LEU CD2 C 10.680 4.819 0.027 1.00 . A A . 15 LEU CD2 1 1 4 1114 1 1 15 LEU CG C 10.291 3.847 -1.079 1.00 . A A . 15 LEU CG 1 1 4 1115 1 1 15 LEU H H 9.633 0.084 -0.923 1.00 . A A . 15 LEU H 1 1 4 1116 1 1 15 LEU HA H 10.883 1.886 -2.659 1.00 . A A . 15 LEU HA 1 1 4 1117 1 1 15 LEU HB2 H 9.542 2.011 -0.285 1.00 . A A . 15 LEU HB2 1 1 4 1118 1 1 15 LEU HB3 H 11.175 2.404 0.217 1.00 . A A . 15 LEU HB3 1 1 4 1119 1 1 15 LEU HD11 H 8.812 4.863 -2.243 1.00 . A A . 15 LEU HD11 1 1 4 1120 1 1 15 LEU HD12 H 8.258 4.354 -0.647 1.00 . A A . 15 LEU HD12 1 1 4 1121 1 1 15 LEU HD13 H 8.454 3.164 -1.934 1.00 . A A . 15 LEU HD13 1 1 4 1122 1 1 15 LEU HD21 H 9.934 4.795 0.807 1.00 . A A . 15 LEU HD21 1 1 4 1123 1 1 15 LEU HD22 H 10.744 5.818 -0.379 1.00 . A A . 15 LEU HD22 1 1 4 1124 1 1 15 LEU HD23 H 11.637 4.535 0.436 1.00 . A A . 15 LEU HD23 1 1 4 1125 1 1 15 LEU HG H 10.925 4.039 -1.932 1.00 . A A . 15 LEU HG 1 1 4 1126 1 1 15 LEU N N 10.305 0.200 -1.621 1.00 . A A . 15 LEU N 1 1 4 1127 1 1 15 LEU O O 12.903 0.620 -0.446 1.00 . A A . 15 LEU O 1 1 4 1128 1 1 15 LEU OXT O 13.325 1.654 -2.342 1.00 . A A . 15 LEU OXT 1 1 5 1129 1 1 1 LYS C C -6.817 2.556 3.503 1.00 . A A . 1 LYS C 1 1 5 1130 1 1 1 LYS CA C -6.321 3.988 3.424 1.00 . A A . 1 LYS CA 1 1 5 1131 1 1 1 LYS CB C -7.280 4.919 4.173 1.00 . A A . 1 LYS CB 1 1 5 1132 1 1 1 LYS CD C -9.610 5.859 4.210 1.00 . A A . 1 LYS CD 1 1 5 1133 1 1 1 LYS CE C -10.498 6.862 3.494 1.00 . A A . 1 LYS CE 1 1 5 1134 1 1 1 LYS CG C -8.448 5.421 3.335 1.00 . A A . 1 LYS CG 1 1 5 1135 1 1 1 LYS H1 H -5.704 5.376 2.031 1.00 . A A . 1 LYS H1 1 1 5 1136 1 1 1 LYS H2 H -7.132 4.529 1.603 1.00 . A A . 1 LYS H2 1 1 5 1137 1 1 1 LYS H3 H -5.610 3.749 1.503 1.00 . A A . 1 LYS H3 1 1 5 1138 1 1 1 LYS HA H -5.362 4.031 3.884 1.00 . A A . 1 LYS HA 1 1 5 1139 1 1 1 LYS HB2 H -7.683 4.387 5.019 1.00 . A A . 1 LYS HB2 1 1 5 1140 1 1 1 LYS HB3 H -6.727 5.776 4.528 1.00 . A A . 1 LYS HB3 1 1 5 1141 1 1 1 LYS HD2 H -10.200 4.992 4.469 1.00 . A A . 1 LYS HD2 1 1 5 1142 1 1 1 LYS HD3 H -9.220 6.313 5.109 1.00 . A A . 1 LYS HD3 1 1 5 1143 1 1 1 LYS HE2 H -10.941 7.520 4.227 1.00 . A A . 1 LYS HE2 1 1 5 1144 1 1 1 LYS HE3 H -9.890 7.440 2.813 1.00 . A A . 1 LYS HE3 1 1 5 1145 1 1 1 LYS HG2 H -8.119 6.263 2.743 1.00 . A A . 1 LYS HG2 1 1 5 1146 1 1 1 LYS HG3 H -8.779 4.626 2.683 1.00 . A A . 1 LYS HG3 1 1 5 1147 1 1 1 LYS HZ1 H -12.264 6.902 2.378 1.00 . A A . 1 LYS HZ1 1 1 5 1148 1 1 1 LYS HZ2 H -12.088 5.517 3.332 1.00 . A A . 1 LYS HZ2 1 1 5 1149 1 1 1 LYS HZ3 H -11.185 5.685 1.911 1.00 . A A . 1 LYS HZ3 1 1 5 1150 1 1 1 LYS N N -6.181 4.452 2.013 1.00 . A A . 1 LYS N 1 1 5 1151 1 1 1 LYS NZ N -11.584 6.195 2.724 1.00 . A A . 1 LYS NZ 1 1 5 1152 1 1 1 LYS O O -6.538 1.836 4.460 1.00 . A A . 1 LYS O 1 1 5 1153 1 1 2 TRP C C -7.340 -0.354 2.081 1.00 . A A . 2 TRP C 1 1 5 1154 1 1 2 TRP CA C -8.213 0.859 2.487 1.00 . A A . 2 TRP CA 1 1 5 1155 1 1 2 TRP CB C -9.512 0.893 1.694 1.00 . A A . 2 TRP CB 1 1 5 1156 1 1 2 TRP CD1 C -10.591 2.839 0.541 1.00 . A A . 2 TRP CD1 1 1 5 1157 1 1 2 TRP CD2 C -8.474 2.537 0.083 1.00 . A A . 2 TRP CD2 1 1 5 1158 1 1 2 TRP CE2 C -8.895 3.633 -0.660 1.00 . A A . 2 TRP CE2 1 1 5 1159 1 1 2 TRP CE3 C -7.179 2.114 0.022 1.00 . A A . 2 TRP CE3 1 1 5 1160 1 1 2 TRP CG C -9.562 2.043 0.790 1.00 . A A . 2 TRP CG 1 1 5 1161 1 1 2 TRP CH2 C -6.725 3.894 -1.530 1.00 . A A . 2 TRP CH2 1 1 5 1162 1 1 2 TRP CZ2 C -8.026 4.334 -1.488 1.00 . A A . 2 TRP CZ2 1 1 5 1163 1 1 2 TRP CZ3 C -6.310 2.788 -0.766 1.00 . A A . 2 TRP CZ3 1 1 5 1164 1 1 2 TRP H H -7.821 2.828 1.839 1.00 . A A . 2 TRP H 1 1 5 1165 1 1 2 TRP HA H -8.468 0.712 3.461 1.00 . A A . 2 TRP HA 1 1 5 1166 1 1 2 TRP HB2 H -9.599 0.004 1.103 1.00 . A A . 2 TRP HB2 1 1 5 1167 1 1 2 TRP HB3 H -10.345 0.961 2.372 1.00 . A A . 2 TRP HB3 1 1 5 1168 1 1 2 TRP HD1 H -11.540 2.703 0.990 1.00 . A A . 2 TRP HD1 1 1 5 1169 1 1 2 TRP HE1 H -10.804 4.492 -0.733 1.00 . A A . 2 TRP HE1 1 1 5 1170 1 1 2 TRP HE3 H -6.851 1.268 0.633 1.00 . A A . 2 TRP HE3 1 1 5 1171 1 1 2 TRP HH2 H -5.998 4.403 -2.147 1.00 . A A . 2 TRP HH2 1 1 5 1172 1 1 2 TRP HZ2 H -8.343 5.184 -2.074 1.00 . A A . 2 TRP HZ2 1 1 5 1173 1 1 2 TRP HZ3 H -5.300 2.464 -0.796 1.00 . A A . 2 TRP HZ3 1 1 5 1174 1 1 2 TRP N N -7.596 2.179 2.521 1.00 . A A . 2 TRP N 1 1 5 1175 1 1 2 TRP NE1 N -10.224 3.805 -0.371 1.00 . A A . 2 TRP NE1 1 1 5 1176 1 1 2 TRP O O -6.540 -0.830 2.885 1.00 . A A . 2 TRP O 1 1 5 1177 1 1 3 LYS C C -5.558 -1.802 -0.288 1.00 . A A . 3 LYS C 1 1 5 1178 1 1 3 LYS CA C -6.835 -2.113 0.431 1.00 . A A . 3 LYS CA 1 1 5 1179 1 1 3 LYS CB C -7.739 -2.984 -0.445 1.00 . A A . 3 LYS CB 1 1 5 1180 1 1 3 LYS CD C -7.915 -5.165 0.794 1.00 . A A . 3 LYS CD 1 1 5 1181 1 1 3 LYS CE C -8.749 -6.376 0.412 1.00 . A A . 3 LYS CE 1 1 5 1182 1 1 3 LYS CG C -7.364 -4.456 -0.434 1.00 . A A . 3 LYS CG 1 1 5 1183 1 1 3 LYS H H -8.210 -0.525 0.269 1.00 . A A . 3 LYS H 1 1 5 1184 1 1 3 LYS HA H -6.584 -2.648 1.307 1.00 . A A . 3 LYS HA 1 1 5 1185 1 1 3 LYS HB2 H -8.756 -2.891 -0.096 1.00 . A A . 3 LYS HB2 1 1 5 1186 1 1 3 LYS HB3 H -7.684 -2.628 -1.463 1.00 . A A . 3 LYS HB3 1 1 5 1187 1 1 3 LYS HD2 H -7.090 -5.490 1.412 1.00 . A A . 3 LYS HD2 1 1 5 1188 1 1 3 LYS HD3 H -8.532 -4.474 1.351 1.00 . A A . 3 LYS HD3 1 1 5 1189 1 1 3 LYS HE2 H -9.411 -6.614 1.232 1.00 . A A . 3 LYS HE2 1 1 5 1190 1 1 3 LYS HE3 H -9.333 -6.133 -0.463 1.00 . A A . 3 LYS HE3 1 1 5 1191 1 1 3 LYS HG2 H -7.765 -4.925 -1.319 1.00 . A A . 3 LYS HG2 1 1 5 1192 1 1 3 LYS HG3 H -6.287 -4.543 -0.435 1.00 . A A . 3 LYS HG3 1 1 5 1193 1 1 3 LYS HZ1 H -6.986 -7.260 -0.276 1.00 . A A . 3 LYS HZ1 1 1 5 1194 1 1 3 LYS HZ2 H -8.375 -8.178 -0.576 1.00 . A A . 3 LYS HZ2 1 1 5 1195 1 1 3 LYS HZ3 H -7.731 -8.108 0.986 1.00 . A A . 3 LYS HZ3 1 1 5 1196 1 1 3 LYS N N -7.547 -0.906 0.864 1.00 . A A . 3 LYS N 1 1 5 1197 1 1 3 LYS NZ N -7.902 -7.564 0.116 1.00 . A A . 3 LYS NZ 1 1 5 1198 1 1 3 LYS O O -4.712 -2.664 -0.512 1.00 . A A . 3 LYS O 1 1 5 1199 1 1 4 LEU C C -3.313 0.510 -0.181 1.00 . A A . 4 LEU C 1 1 5 1200 1 1 4 LEU CA C -4.216 -0.092 -1.234 1.00 . A A . 4 LEU CA 1 1 5 1201 1 1 4 LEU CB C -4.521 0.926 -2.291 1.00 . A A . 4 LEU CB 1 1 5 1202 1 1 4 LEU CD1 C -5.558 0.363 -4.507 1.00 . A A . 4 LEU CD1 1 1 5 1203 1 1 4 LEU CD2 C -3.307 1.450 -4.427 1.00 . A A . 4 LEU CD2 1 1 5 1204 1 1 4 LEU CG C -4.254 0.480 -3.733 1.00 . A A . 4 LEU CG 1 1 5 1205 1 1 4 LEU H H -6.107 0.052 -0.342 1.00 . A A . 4 LEU H 1 1 5 1206 1 1 4 LEU HA H -3.725 -0.939 -1.687 1.00 . A A . 4 LEU HA 1 1 5 1207 1 1 4 LEU HB2 H -5.558 1.190 -2.197 1.00 . A A . 4 LEU HB2 1 1 5 1208 1 1 4 LEU HB3 H -3.913 1.784 -2.078 1.00 . A A . 4 LEU HB3 1 1 5 1209 1 1 4 LEU HD11 H -6.332 -0.013 -3.855 1.00 . A A . 4 LEU HD11 1 1 5 1210 1 1 4 LEU HD12 H -5.424 -0.316 -5.337 1.00 . A A . 4 LEU HD12 1 1 5 1211 1 1 4 LEU HD13 H -5.843 1.336 -4.882 1.00 . A A . 4 LEU HD13 1 1 5 1212 1 1 4 LEU HD21 H -2.292 1.237 -4.129 1.00 . A A . 4 LEU HD21 1 1 5 1213 1 1 4 LEU HD22 H -3.561 2.462 -4.148 1.00 . A A . 4 LEU HD22 1 1 5 1214 1 1 4 LEU HD23 H -3.399 1.337 -5.496 1.00 . A A . 4 LEU HD23 1 1 5 1215 1 1 4 LEU HG H -3.786 -0.494 -3.720 1.00 . A A . 4 LEU HG 1 1 5 1216 1 1 4 LEU N N -5.410 -0.565 -0.596 1.00 . A A . 4 LEU N 1 1 5 1217 1 1 4 LEU O O -2.095 0.511 -0.326 1.00 . A A . 4 LEU O 1 1 5 1218 1 1 5 PHE C C -2.251 0.396 2.515 1.00 . A A . 5 PHE C 1 1 5 1219 1 1 5 PHE CA C -3.135 1.503 2.021 1.00 . A A . 5 PHE CA 1 1 5 1220 1 1 5 PHE CB C -4.050 1.978 3.134 1.00 . A A . 5 PHE CB 1 1 5 1221 1 1 5 PHE CD1 C -3.173 1.288 5.383 1.00 . A A . 5 PHE CD1 1 1 5 1222 1 1 5 PHE CD2 C -2.792 3.523 4.646 1.00 . A A . 5 PHE CD2 1 1 5 1223 1 1 5 PHE CE1 C -2.490 1.554 6.554 1.00 . A A . 5 PHE CE1 1 1 5 1224 1 1 5 PHE CE2 C -2.110 3.797 5.815 1.00 . A A . 5 PHE CE2 1 1 5 1225 1 1 5 PHE CG C -3.331 2.270 4.419 1.00 . A A . 5 PHE CG 1 1 5 1226 1 1 5 PHE CZ C -1.959 2.811 6.771 1.00 . A A . 5 PHE CZ 1 1 5 1227 1 1 5 PHE H H -4.895 0.887 1.023 1.00 . A A . 5 PHE H 1 1 5 1228 1 1 5 PHE HA H -2.533 2.320 1.660 1.00 . A A . 5 PHE HA 1 1 5 1229 1 1 5 PHE HB2 H -4.527 2.878 2.808 1.00 . A A . 5 PHE HB2 1 1 5 1230 1 1 5 PHE HB3 H -4.803 1.219 3.324 1.00 . A A . 5 PHE HB3 1 1 5 1231 1 1 5 PHE HD1 H -3.589 0.306 5.214 1.00 . A A . 5 PHE HD1 1 1 5 1232 1 1 5 PHE HD2 H -2.909 4.291 3.896 1.00 . A A . 5 PHE HD2 1 1 5 1233 1 1 5 PHE HE1 H -2.373 0.782 7.300 1.00 . A A . 5 PHE HE1 1 1 5 1234 1 1 5 PHE HE2 H -1.696 4.781 5.983 1.00 . A A . 5 PHE HE2 1 1 5 1235 1 1 5 PHE HZ H -1.425 3.022 7.686 1.00 . A A . 5 PHE HZ 1 1 5 1236 1 1 5 PHE N N -3.915 0.966 0.923 1.00 . A A . 5 PHE N 1 1 5 1237 1 1 5 PHE O O -1.166 0.607 3.056 1.00 . A A . 5 PHE O 1 1 5 1238 1 1 6 LYS C C -1.078 -2.324 1.496 1.00 . A A . 6 LYS C 1 1 5 1239 1 1 6 LYS CA C -2.060 -1.999 2.607 1.00 . A A . 6 LYS CA 1 1 5 1240 1 1 6 LYS CB C -3.069 -3.124 2.842 1.00 . A A . 6 LYS CB 1 1 5 1241 1 1 6 LYS CD C -3.781 -5.221 1.653 1.00 . A A . 6 LYS CD 1 1 5 1242 1 1 6 LYS CE C -2.524 -5.905 1.138 1.00 . A A . 6 LYS CE 1 1 5 1243 1 1 6 LYS CG C -3.664 -3.707 1.574 1.00 . A A . 6 LYS CG 1 1 5 1244 1 1 6 LYS H H -3.595 -0.859 1.801 1.00 . A A . 6 LYS H 1 1 5 1245 1 1 6 LYS HA H -1.523 -1.810 3.513 1.00 . A A . 6 LYS HA 1 1 5 1246 1 1 6 LYS HB2 H -2.588 -3.919 3.389 1.00 . A A . 6 LYS HB2 1 1 5 1247 1 1 6 LYS HB3 H -3.881 -2.726 3.435 1.00 . A A . 6 LYS HB3 1 1 5 1248 1 1 6 LYS HD2 H -3.937 -5.507 2.682 1.00 . A A . 6 LYS HD2 1 1 5 1249 1 1 6 LYS HD3 H -4.623 -5.540 1.056 1.00 . A A . 6 LYS HD3 1 1 5 1250 1 1 6 LYS HE2 H -2.131 -5.333 0.311 1.00 . A A . 6 LYS HE2 1 1 5 1251 1 1 6 LYS HE3 H -1.794 -5.935 1.934 1.00 . A A . 6 LYS HE3 1 1 5 1252 1 1 6 LYS HG2 H -4.651 -3.287 1.435 1.00 . A A . 6 LYS HG2 1 1 5 1253 1 1 6 LYS HG3 H -3.037 -3.444 0.732 1.00 . A A . 6 LYS HG3 1 1 5 1254 1 1 6 LYS HZ1 H -3.613 -7.305 0.035 1.00 . A A . 6 LYS HZ1 1 1 5 1255 1 1 6 LYS HZ2 H -3.003 -7.907 1.492 1.00 . A A . 6 LYS HZ2 1 1 5 1256 1 1 6 LYS HZ3 H -1.968 -7.674 0.175 1.00 . A A . 6 LYS HZ3 1 1 5 1257 1 1 6 LYS N N -2.744 -0.798 2.265 1.00 . A A . 6 LYS N 1 1 5 1258 1 1 6 LYS NZ N -2.796 -7.295 0.678 1.00 . A A . 6 LYS NZ 1 1 5 1259 1 1 6 LYS O O -0.018 -2.903 1.735 1.00 . A A . 6 LYS O 1 1 5 1260 1 1 7 LYS C C 0.464 -0.971 -0.926 1.00 . A A . 7 LYS C 1 1 5 1261 1 1 7 LYS CA C -0.537 -2.099 -0.856 1.00 . A A . 7 LYS CA 1 1 5 1262 1 1 7 LYS CB C -1.331 -2.207 -2.161 1.00 . A A . 7 LYS CB 1 1 5 1263 1 1 7 LYS CD C 0.539 -3.110 -3.590 1.00 . A A . 7 LYS CD 1 1 5 1264 1 1 7 LYS CE C 0.597 -1.930 -4.548 1.00 . A A . 7 LYS CE 1 1 5 1265 1 1 7 LYS CG C -0.871 -3.340 -3.066 1.00 . A A . 7 LYS CG 1 1 5 1266 1 1 7 LYS H H -2.266 -1.398 0.138 1.00 . A A . 7 LYS H 1 1 5 1267 1 1 7 LYS HA H 0.005 -3.000 -0.691 1.00 . A A . 7 LYS HA 1 1 5 1268 1 1 7 LYS HB2 H -2.372 -2.368 -1.922 1.00 . A A . 7 LYS HB2 1 1 5 1269 1 1 7 LYS HB3 H -1.237 -1.279 -2.705 1.00 . A A . 7 LYS HB3 1 1 5 1270 1 1 7 LYS HD2 H 1.195 -2.916 -2.756 1.00 . A A . 7 LYS HD2 1 1 5 1271 1 1 7 LYS HD3 H 0.868 -3.999 -4.108 1.00 . A A . 7 LYS HD3 1 1 5 1272 1 1 7 LYS HE2 H -0.016 -1.133 -4.158 1.00 . A A . 7 LYS HE2 1 1 5 1273 1 1 7 LYS HE3 H 1.621 -1.593 -4.621 1.00 . A A . 7 LYS HE3 1 1 5 1274 1 1 7 LYS HG2 H -0.888 -4.263 -2.505 1.00 . A A . 7 LYS HG2 1 1 5 1275 1 1 7 LYS HG3 H -1.549 -3.415 -3.904 1.00 . A A . 7 LYS HG3 1 1 5 1276 1 1 7 LYS HZ1 H -0.786 -2.819 -5.839 1.00 . A A . 7 LYS HZ1 1 1 5 1277 1 1 7 LYS HZ2 H 0.811 -2.889 -6.392 1.00 . A A . 7 LYS HZ2 1 1 5 1278 1 1 7 LYS HZ3 H -0.048 -1.435 -6.473 1.00 . A A . 7 LYS HZ3 1 1 5 1279 1 1 7 LYS N N -1.418 -1.895 0.273 1.00 . A A . 7 LYS N 1 1 5 1280 1 1 7 LYS NZ N 0.109 -2.293 -5.908 1.00 . A A . 7 LYS NZ 1 1 5 1281 1 1 7 LYS O O 1.430 -1.027 -1.686 1.00 . A A . 7 LYS O 1 1 5 1282 1 1 8 ILE C C 2.186 1.004 0.998 1.00 . A A . 8 ILE C 1 1 5 1283 1 1 8 ILE CA C 1.148 1.172 -0.093 1.00 . A A . 8 ILE CA 1 1 5 1284 1 1 8 ILE CB C 0.397 2.512 0.079 1.00 . A A . 8 ILE CB 1 1 5 1285 1 1 8 ILE CD1 C 0.673 3.250 -2.343 1.00 . A A . 8 ILE CD1 1 1 5 1286 1 1 8 ILE CG1 C -0.291 2.903 -1.229 1.00 . A A . 8 ILE CG1 1 1 5 1287 1 1 8 ILE CG2 C 1.341 3.616 0.539 1.00 . A A . 8 ILE CG2 1 1 5 1288 1 1 8 ILE H H -0.540 0.042 0.489 1.00 . A A . 8 ILE H 1 1 5 1289 1 1 8 ILE HA H 1.648 1.169 -1.033 1.00 . A A . 8 ILE HA 1 1 5 1290 1 1 8 ILE HB H -0.354 2.379 0.842 1.00 . A A . 8 ILE HB 1 1 5 1291 1 1 8 ILE HD11 H 0.681 2.454 -3.072 1.00 . A A . 8 ILE HD11 1 1 5 1292 1 1 8 ILE HD12 H 1.665 3.374 -1.934 1.00 . A A . 8 ILE HD12 1 1 5 1293 1 1 8 ILE HD13 H 0.362 4.169 -2.815 1.00 . A A . 8 ILE HD13 1 1 5 1294 1 1 8 ILE HG12 H -0.904 2.081 -1.566 1.00 . A A . 8 ILE HG12 1 1 5 1295 1 1 8 ILE HG13 H -0.919 3.764 -1.052 1.00 . A A . 8 ILE HG13 1 1 5 1296 1 1 8 ILE HG21 H 1.709 3.383 1.528 1.00 . A A . 8 ILE HG21 1 1 5 1297 1 1 8 ILE HG22 H 0.811 4.556 0.564 1.00 . A A . 8 ILE HG22 1 1 5 1298 1 1 8 ILE HG23 H 2.173 3.689 -0.147 1.00 . A A . 8 ILE HG23 1 1 5 1299 1 1 8 ILE N N 0.244 0.050 -0.112 1.00 . A A . 8 ILE N 1 1 5 1300 1 1 8 ILE O O 3.340 1.404 0.848 1.00 . A A . 8 ILE O 1 1 5 1301 1 1 9 GLY C C 3.822 -0.736 2.752 1.00 . A A . 9 GLY C 1 1 5 1302 1 1 9 GLY CA C 2.672 0.144 3.184 1.00 . A A . 9 GLY CA 1 1 5 1303 1 1 9 GLY H H 0.843 0.082 2.121 1.00 . A A . 9 GLY H 1 1 5 1304 1 1 9 GLY HA2 H 3.059 1.088 3.540 1.00 . A A . 9 GLY HA2 1 1 5 1305 1 1 9 GLY HA3 H 2.133 -0.343 3.984 1.00 . A A . 9 GLY HA3 1 1 5 1306 1 1 9 GLY N N 1.768 0.388 2.081 1.00 . A A . 9 GLY N 1 1 5 1307 1 1 9 GLY O O 4.975 -0.524 3.133 1.00 . A A . 9 GLY O 1 1 5 1308 1 1 10 ALA C C 5.369 -1.920 0.376 1.00 . A A . 10 ALA C 1 1 5 1309 1 1 10 ALA CA C 4.549 -2.609 1.441 1.00 . A A . 10 ALA CA 1 1 5 1310 1 1 10 ALA CB C 3.968 -3.914 0.925 1.00 . A A . 10 ALA CB 1 1 5 1311 1 1 10 ALA H H 2.592 -1.844 1.628 1.00 . A A . 10 ALA H 1 1 5 1312 1 1 10 ALA HA H 5.199 -2.821 2.279 1.00 . A A . 10 ALA HA 1 1 5 1313 1 1 10 ALA HB1 H 3.941 -4.638 1.725 1.00 . A A . 10 ALA HB1 1 1 5 1314 1 1 10 ALA HB2 H 4.590 -4.288 0.122 1.00 . A A . 10 ALA HB2 1 1 5 1315 1 1 10 ALA HB3 H 2.968 -3.743 0.556 1.00 . A A . 10 ALA HB3 1 1 5 1316 1 1 10 ALA N N 3.517 -1.723 1.926 1.00 . A A . 10 ALA N 1 1 5 1317 1 1 10 ALA O O 6.555 -2.199 0.226 1.00 . A A . 10 ALA O 1 1 5 1318 1 1 11 VAL C C 6.728 0.352 -0.651 1.00 . A A . 11 VAL C 1 1 5 1319 1 1 11 VAL CA C 5.510 -0.244 -1.340 1.00 . A A . 11 VAL CA 1 1 5 1320 1 1 11 VAL CB C 4.653 0.859 -2.006 1.00 . A A . 11 VAL CB 1 1 5 1321 1 1 11 VAL CG1 C 5.031 2.248 -1.502 1.00 . A A . 11 VAL CG1 1 1 5 1322 1 1 11 VAL CG2 C 4.773 0.784 -3.520 1.00 . A A . 11 VAL CG2 1 1 5 1323 1 1 11 VAL H H 3.818 -0.764 -0.173 1.00 . A A . 11 VAL H 1 1 5 1324 1 1 11 VAL HA H 5.842 -0.949 -2.089 1.00 . A A . 11 VAL HA 1 1 5 1325 1 1 11 VAL HB H 3.622 0.682 -1.742 1.00 . A A . 11 VAL HB 1 1 5 1326 1 1 11 VAL HG11 H 6.022 2.499 -1.850 1.00 . A A . 11 VAL HG11 1 1 5 1327 1 1 11 VAL HG12 H 5.016 2.255 -0.423 1.00 . A A . 11 VAL HG12 1 1 5 1328 1 1 11 VAL HG13 H 4.324 2.973 -1.877 1.00 . A A . 11 VAL HG13 1 1 5 1329 1 1 11 VAL HG21 H 3.811 0.987 -3.968 1.00 . A A . 11 VAL HG21 1 1 5 1330 1 1 11 VAL HG22 H 5.102 -0.204 -3.806 1.00 . A A . 11 VAL HG22 1 1 5 1331 1 1 11 VAL HG23 H 5.490 1.515 -3.861 1.00 . A A . 11 VAL HG23 1 1 5 1332 1 1 11 VAL N N 4.761 -0.983 -0.342 1.00 . A A . 11 VAL N 1 1 5 1333 1 1 11 VAL O O 7.814 0.444 -1.223 1.00 . A A . 11 VAL O 1 1 5 1334 1 1 12 LEU C C 8.741 0.208 1.428 1.00 . A A . 12 LEU C 1 1 5 1335 1 1 12 LEU CA C 7.588 1.191 1.473 1.00 . A A . 12 LEU CA 1 1 5 1336 1 1 12 LEU CB C 7.077 1.289 2.906 1.00 . A A . 12 LEU CB 1 1 5 1337 1 1 12 LEU CD1 C 5.330 2.157 4.481 1.00 . A A . 12 LEU CD1 1 1 5 1338 1 1 12 LEU CD2 C 6.691 3.757 3.120 1.00 . A A . 12 LEU CD2 1 1 5 1339 1 1 12 LEU CG C 6.036 2.383 3.153 1.00 . A A . 12 LEU CG 1 1 5 1340 1 1 12 LEU H H 5.644 0.528 1.016 1.00 . A A . 12 LEU H 1 1 5 1341 1 1 12 LEU HA H 7.903 2.160 1.118 1.00 . A A . 12 LEU HA 1 1 5 1342 1 1 12 LEU HB2 H 6.634 0.326 3.164 1.00 . A A . 12 LEU HB2 1 1 5 1343 1 1 12 LEU HB3 H 7.918 1.465 3.558 1.00 . A A . 12 LEU HB3 1 1 5 1344 1 1 12 LEU HD11 H 4.351 2.612 4.449 1.00 . A A . 12 LEU HD11 1 1 5 1345 1 1 12 LEU HD12 H 5.910 2.603 5.276 1.00 . A A . 12 LEU HD12 1 1 5 1346 1 1 12 LEU HD13 H 5.230 1.097 4.660 1.00 . A A . 12 LEU HD13 1 1 5 1347 1 1 12 LEU HD21 H 6.919 4.070 4.129 1.00 . A A . 12 LEU HD21 1 1 5 1348 1 1 12 LEU HD22 H 6.015 4.467 2.666 1.00 . A A . 12 LEU HD22 1 1 5 1349 1 1 12 LEU HD23 H 7.602 3.708 2.543 1.00 . A A . 12 LEU HD23 1 1 5 1350 1 1 12 LEU HG H 5.293 2.347 2.370 1.00 . A A . 12 LEU HG 1 1 5 1351 1 1 12 LEU N N 6.528 0.681 0.623 1.00 . A A . 12 LEU N 1 1 5 1352 1 1 12 LEU O O 9.909 0.576 1.314 1.00 . A A . 12 LEU O 1 1 5 1353 1 1 13 LYS C C 9.927 -2.242 0.063 1.00 . A A . 13 LYS C 1 1 5 1354 1 1 13 LYS CA C 9.299 -2.165 1.443 1.00 . A A . 13 LYS CA 1 1 5 1355 1 1 13 LYS CB C 8.560 -3.467 1.734 1.00 . A A . 13 LYS CB 1 1 5 1356 1 1 13 LYS CD C 7.119 -4.756 3.340 1.00 . A A . 13 LYS CD 1 1 5 1357 1 1 13 LYS CE C 6.826 -5.021 4.808 1.00 . A A . 13 LYS CE 1 1 5 1358 1 1 13 LYS CG C 8.055 -3.572 3.164 1.00 . A A . 13 LYS CG 1 1 5 1359 1 1 13 LYS H H 7.400 -1.264 1.563 1.00 . A A . 13 LYS H 1 1 5 1360 1 1 13 LYS HA H 10.058 -2.003 2.186 1.00 . A A . 13 LYS HA 1 1 5 1361 1 1 13 LYS HB2 H 7.710 -3.534 1.065 1.00 . A A . 13 LYS HB2 1 1 5 1362 1 1 13 LYS HB3 H 9.224 -4.296 1.544 1.00 . A A . 13 LYS HB3 1 1 5 1363 1 1 13 LYS HD2 H 6.190 -4.548 2.830 1.00 . A A . 13 LYS HD2 1 1 5 1364 1 1 13 LYS HD3 H 7.579 -5.634 2.910 1.00 . A A . 13 LYS HD3 1 1 5 1365 1 1 13 LYS HE2 H 6.809 -6.087 4.973 1.00 . A A . 13 LYS HE2 1 1 5 1366 1 1 13 LYS HE3 H 7.611 -4.578 5.404 1.00 . A A . 13 LYS HE3 1 1 5 1367 1 1 13 LYS HG2 H 8.899 -3.693 3.826 1.00 . A A . 13 LYS HG2 1 1 5 1368 1 1 13 LYS HG3 H 7.524 -2.665 3.415 1.00 . A A . 13 LYS HG3 1 1 5 1369 1 1 13 LYS HZ1 H 5.539 -4.209 6.240 1.00 . A A . 13 LYS HZ1 1 1 5 1370 1 1 13 LYS HZ2 H 4.756 -5.133 5.060 1.00 . A A . 13 LYS HZ2 1 1 5 1371 1 1 13 LYS HZ3 H 5.316 -3.582 4.684 1.00 . A A . 13 LYS HZ3 1 1 5 1372 1 1 13 LYS N N 8.360 -1.062 1.495 1.00 . A A . 13 LYS N 1 1 5 1373 1 1 13 LYS NZ N 5.518 -4.446 5.227 1.00 . A A . 13 LYS NZ 1 1 5 1374 1 1 13 LYS O O 11.093 -2.602 -0.096 1.00 . A A . 13 LYS O 1 1 5 1375 1 1 14 VAL C C 10.365 -0.691 -2.654 1.00 . A A . 14 VAL C 1 1 5 1376 1 1 14 VAL CA C 9.527 -1.920 -2.313 1.00 . A A . 14 VAL CA 1 1 5 1377 1 1 14 VAL CB C 8.271 -1.995 -3.213 1.00 . A A . 14 VAL CB 1 1 5 1378 1 1 14 VAL CG1 C 8.159 -0.792 -4.143 1.00 . A A . 14 VAL CG1 1 1 5 1379 1 1 14 VAL CG2 C 8.254 -3.293 -4.007 1.00 . A A . 14 VAL CG2 1 1 5 1380 1 1 14 VAL H H 8.210 -1.632 -0.723 1.00 . A A . 14 VAL H 1 1 5 1381 1 1 14 VAL HA H 10.111 -2.803 -2.468 1.00 . A A . 14 VAL HA 1 1 5 1382 1 1 14 VAL HB H 7.407 -1.992 -2.557 1.00 . A A . 14 VAL HB 1 1 5 1383 1 1 14 VAL HG11 H 8.971 -0.810 -4.856 1.00 . A A . 14 VAL HG11 1 1 5 1384 1 1 14 VAL HG12 H 8.209 0.118 -3.564 1.00 . A A . 14 VAL HG12 1 1 5 1385 1 1 14 VAL HG13 H 7.218 -0.831 -4.670 1.00 . A A . 14 VAL HG13 1 1 5 1386 1 1 14 VAL HG21 H 8.921 -4.006 -3.546 1.00 . A A . 14 VAL HG21 1 1 5 1387 1 1 14 VAL HG22 H 8.577 -3.099 -5.019 1.00 . A A . 14 VAL HG22 1 1 5 1388 1 1 14 VAL HG23 H 7.252 -3.694 -4.019 1.00 . A A . 14 VAL HG23 1 1 5 1389 1 1 14 VAL N N 9.119 -1.902 -0.930 1.00 . A A . 14 VAL N 1 1 5 1390 1 1 14 VAL O O 10.890 -0.568 -3.760 1.00 . A A . 14 VAL O 1 1 5 1391 1 1 15 LEU C C 12.567 1.378 -1.155 1.00 . A A . 15 LEU C 1 1 5 1392 1 1 15 LEU CA C 11.223 1.448 -1.873 1.00 . A A . 15 LEU CA 1 1 5 1393 1 1 15 LEU CB C 10.398 2.620 -1.343 1.00 . A A . 15 LEU CB 1 1 5 1394 1 1 15 LEU CD1 C 11.564 4.405 -2.662 1.00 . A A . 15 LEU CD1 1 1 5 1395 1 1 15 LEU CD2 C 9.512 3.312 -3.582 1.00 . A A . 15 LEU CD2 1 1 5 1396 1 1 15 LEU CG C 10.219 3.782 -2.320 1.00 . A A . 15 LEU CG 1 1 5 1397 1 1 15 LEU H H 10.020 0.058 -0.842 1.00 . A A . 15 LEU H 1 1 5 1398 1 1 15 LEU HA H 11.394 1.590 -2.931 1.00 . A A . 15 LEU HA 1 1 5 1399 1 1 15 LEU HB2 H 9.418 2.241 -1.076 1.00 . A A . 15 LEU HB2 1 1 5 1400 1 1 15 LEU HB3 H 10.874 2.996 -0.450 1.00 . A A . 15 LEU HB3 1 1 5 1401 1 1 15 LEU HD11 H 11.930 3.985 -3.588 1.00 . A A . 15 LEU HD11 1 1 5 1402 1 1 15 LEU HD12 H 12.268 4.200 -1.870 1.00 . A A . 15 LEU HD12 1 1 5 1403 1 1 15 LEU HD13 H 11.447 5.473 -2.773 1.00 . A A . 15 LEU HD13 1 1 5 1404 1 1 15 LEU HD21 H 8.898 2.455 -3.353 1.00 . A A . 15 LEU HD21 1 1 5 1405 1 1 15 LEU HD22 H 10.248 3.040 -4.325 1.00 . A A . 15 LEU HD22 1 1 5 1406 1 1 15 LEU HD23 H 8.891 4.108 -3.965 1.00 . A A . 15 LEU HD23 1 1 5 1407 1 1 15 LEU HG H 9.607 4.543 -1.857 1.00 . A A . 15 LEU HG 1 1 5 1408 1 1 15 LEU N N 10.471 0.217 -1.695 1.00 . A A . 15 LEU N 1 1 5 1409 1 1 15 LEU O O 13.607 1.349 -1.847 1.00 . A A . 15 LEU O 1 1 5 1410 1 1 15 LEU OXT O 12.570 1.352 0.094 1.00 . A A . 15 LEU OXT 1 1 6 1411 1 1 1 LYS C C -6.875 2.130 3.890 1.00 . A A . 1 LYS C 1 1 6 1412 1 1 1 LYS CA C -6.584 3.633 3.813 1.00 . A A . 1 LYS CA 1 1 6 1413 1 1 1 LYS CB C -6.239 4.049 2.378 1.00 . A A . 1 LYS CB 1 1 6 1414 1 1 1 LYS CD C -6.468 6.122 0.973 1.00 . A A . 1 LYS CD 1 1 6 1415 1 1 1 LYS CE C -7.317 6.610 -0.190 1.00 . A A . 1 LYS CE 1 1 6 1416 1 1 1 LYS CG C -7.200 5.073 1.795 1.00 . A A . 1 LYS CG 1 1 6 1417 1 1 1 LYS H1 H -4.654 4.298 4.134 1.00 . A A . 1 LYS H1 1 1 6 1418 1 1 1 LYS H2 H -5.239 3.202 5.316 1.00 . A A . 1 LYS H2 1 1 6 1419 1 1 1 LYS H3 H -5.794 4.824 5.297 1.00 . A A . 1 LYS H3 1 1 6 1420 1 1 1 LYS HA H -7.468 4.168 4.128 1.00 . A A . 1 LYS HA 1 1 6 1421 1 1 1 LYS HB2 H -5.246 4.474 2.366 1.00 . A A . 1 LYS HB2 1 1 6 1422 1 1 1 LYS HB3 H -6.253 3.175 1.749 1.00 . A A . 1 LYS HB3 1 1 6 1423 1 1 1 LYS HD2 H -6.230 6.961 1.609 1.00 . A A . 1 LYS HD2 1 1 6 1424 1 1 1 LYS HD3 H -5.557 5.689 0.586 1.00 . A A . 1 LYS HD3 1 1 6 1425 1 1 1 LYS HE2 H -8.027 5.840 -0.449 1.00 . A A . 1 LYS HE2 1 1 6 1426 1 1 1 LYS HE3 H -7.849 7.499 0.117 1.00 . A A . 1 LYS HE3 1 1 6 1427 1 1 1 LYS HG2 H -7.912 4.566 1.162 1.00 . A A . 1 LYS HG2 1 1 6 1428 1 1 1 LYS HG3 H -7.722 5.563 2.605 1.00 . A A . 1 LYS HG3 1 1 6 1429 1 1 1 LYS HZ1 H -6.538 7.947 -1.595 1.00 . A A . 1 LYS HZ1 1 1 6 1430 1 1 1 LYS HZ2 H -6.843 6.403 -2.215 1.00 . A A . 1 LYS HZ2 1 1 6 1431 1 1 1 LYS HZ3 H -5.499 6.664 -1.222 1.00 . A A . 1 LYS HZ3 1 1 6 1432 1 1 1 LYS N N -5.466 4.023 4.720 1.00 . A A . 1 LYS N 1 1 6 1433 1 1 1 LYS NZ N -6.491 6.928 -1.389 1.00 . A A . 1 LYS NZ 1 1 6 1434 1 1 1 LYS O O -6.386 1.440 4.783 1.00 . A A . 1 LYS O 1 1 6 1435 1 1 2 TRP C C -7.192 -0.858 2.507 1.00 . A A . 2 TRP C 1 1 6 1436 1 1 2 TRP CA C -8.164 0.248 2.996 1.00 . A A . 2 TRP CA 1 1 6 1437 1 1 2 TRP CB C -9.520 0.101 2.326 1.00 . A A . 2 TRP CB 1 1 6 1438 1 1 2 TRP CD1 C -10.935 1.824 1.197 1.00 . A A . 2 TRP CD1 1 1 6 1439 1 1 2 TRP CD2 C -8.838 1.795 0.584 1.00 . A A . 2 TRP CD2 1 1 6 1440 1 1 2 TRP CE2 C -9.464 2.786 -0.161 1.00 . A A . 2 TRP CE2 1 1 6 1441 1 1 2 TRP CE3 C -7.507 1.551 0.436 1.00 . A A . 2 TRP CE3 1 1 6 1442 1 1 2 TRP CG C -9.790 1.191 1.393 1.00 . A A . 2 TRP CG 1 1 6 1443 1 1 2 TRP CH2 C -7.424 3.303 -1.210 1.00 . A A . 2 TRP CH2 1 1 6 1444 1 1 2 TRP CZ2 C -8.766 3.559 -1.082 1.00 . A A . 2 TRP CZ2 1 1 6 1445 1 1 2 TRP CZ3 C -6.804 2.300 -0.445 1.00 . A A . 2 TRP CZ3 1 1 6 1446 1 1 2 TRP H H -8.133 2.265 2.351 1.00 . A A . 2 TRP H 1 1 6 1447 1 1 2 TRP HA H -8.316 0.066 3.985 1.00 . A A . 2 TRP HA 1 1 6 1448 1 1 2 TRP HB2 H -9.552 -0.817 1.776 1.00 . A A . 2 TRP HB2 1 1 6 1449 1 1 2 TRP HB3 H -10.291 0.102 3.076 1.00 . A A . 2 TRP HB3 1 1 6 1450 1 1 2 TRP HD1 H -11.820 1.579 1.725 1.00 . A A . 2 TRP HD1 1 1 6 1451 1 1 2 TRP HE1 H -11.471 3.369 -0.114 1.00 . A A . 2 TRP HE1 1 1 6 1452 1 1 2 TRP HE3 H -7.018 0.785 1.045 1.00 . A A . 2 TRP HE3 1 1 6 1453 1 1 2 TRP HH2 H -6.824 3.876 -1.901 1.00 . A A . 2 TRP HH2 1 1 6 1454 1 1 2 TRP HZ2 H -9.243 4.330 -1.670 1.00 . A A . 2 TRP HZ2 1 1 6 1455 1 1 2 TRP HZ3 H -5.764 2.121 -0.542 1.00 . A A . 2 TRP HZ3 1 1 6 1456 1 1 2 TRP N N -7.725 1.648 2.988 1.00 . A A . 2 TRP N 1 1 6 1457 1 1 2 TRP NE1 N -10.777 2.787 0.226 1.00 . A A . 2 TRP NE1 1 1 6 1458 1 1 2 TRP O O -6.286 -1.249 3.241 1.00 . A A . 2 TRP O 1 1 6 1459 1 1 3 LYS C C -5.468 -2.122 -0.004 1.00 . A A . 3 LYS C 1 1 6 1460 1 1 3 LYS CA C -6.652 -2.556 0.800 1.00 . A A . 3 LYS CA 1 1 6 1461 1 1 3 LYS CB C -7.531 -3.496 -0.026 1.00 . A A . 3 LYS CB 1 1 6 1462 1 1 3 LYS CD C -8.992 -5.540 -0.069 1.00 . A A . 3 LYS CD 1 1 6 1463 1 1 3 LYS CE C -8.084 -6.718 -0.386 1.00 . A A . 3 LYS CE 1 1 6 1464 1 1 3 LYS CG C -8.290 -4.515 0.808 1.00 . A A . 3 LYS CG 1 1 6 1465 1 1 3 LYS H H -8.193 -1.118 0.776 1.00 . A A . 3 LYS H 1 1 6 1466 1 1 3 LYS HA H -6.289 -3.076 1.645 1.00 . A A . 3 LYS HA 1 1 6 1467 1 1 3 LYS HB2 H -8.250 -2.907 -0.576 1.00 . A A . 3 LYS HB2 1 1 6 1468 1 1 3 LYS HB3 H -6.907 -4.030 -0.728 1.00 . A A . 3 LYS HB3 1 1 6 1469 1 1 3 LYS HD2 H -9.868 -5.903 0.448 1.00 . A A . 3 LYS HD2 1 1 6 1470 1 1 3 LYS HD3 H -9.287 -5.065 -0.993 1.00 . A A . 3 LYS HD3 1 1 6 1471 1 1 3 LYS HE2 H -8.180 -6.958 -1.434 1.00 . A A . 3 LYS HE2 1 1 6 1472 1 1 3 LYS HE3 H -7.063 -6.437 -0.175 1.00 . A A . 3 LYS HE3 1 1 6 1473 1 1 3 LYS HG2 H -7.593 -5.026 1.455 1.00 . A A . 3 LYS HG2 1 1 6 1474 1 1 3 LYS HG3 H -9.028 -3.999 1.405 1.00 . A A . 3 LYS HG3 1 1 6 1475 1 1 3 LYS HZ1 H -9.405 -7.841 0.780 1.00 . A A . 3 LYS HZ1 1 1 6 1476 1 1 3 LYS HZ2 H -7.783 -8.012 1.227 1.00 . A A . 3 LYS HZ2 1 1 6 1477 1 1 3 LYS HZ3 H -8.361 -8.777 -0.167 1.00 . A A . 3 LYS HZ3 1 1 6 1478 1 1 3 LYS N N -7.443 -1.427 1.306 1.00 . A A . 3 LYS N 1 1 6 1479 1 1 3 LYS NZ N -8.432 -7.921 0.420 1.00 . A A . 3 LYS NZ 1 1 6 1480 1 1 3 LYS O O -4.568 -2.900 -0.309 1.00 . A A . 3 LYS O 1 1 6 1481 1 1 4 LEU C C -3.437 0.375 -0.027 1.00 . A A . 4 LEU C 1 1 6 1482 1 1 4 LEU CA C -4.362 -0.293 -1.021 1.00 . A A . 4 LEU CA 1 1 6 1483 1 1 4 LEU CB C -4.839 0.696 -2.039 1.00 . A A . 4 LEU CB 1 1 6 1484 1 1 4 LEU CD1 C -5.411 1.194 -4.430 1.00 . A A . 4 LEU CD1 1 1 6 1485 1 1 4 LEU CD2 C -3.113 0.393 -3.838 1.00 . A A . 4 LEU CD2 1 1 6 1486 1 1 4 LEU CG C -4.595 0.308 -3.500 1.00 . A A . 4 LEU CG 1 1 6 1487 1 1 4 LEU H H -6.184 -0.326 0.012 1.00 . A A . 4 LEU H 1 1 6 1488 1 1 4 LEU HA H -3.835 -1.090 -1.519 1.00 . A A . 4 LEU HA 1 1 6 1489 1 1 4 LEU HB2 H -5.894 0.829 -1.891 1.00 . A A . 4 LEU HB2 1 1 6 1490 1 1 4 LEU HB3 H -4.328 1.618 -1.838 1.00 . A A . 4 LEU HB3 1 1 6 1491 1 1 4 LEU HD11 H -6.194 1.682 -3.868 1.00 . A A . 4 LEU HD11 1 1 6 1492 1 1 4 LEU HD12 H -5.851 0.589 -5.209 1.00 . A A . 4 LEU HD12 1 1 6 1493 1 1 4 LEU HD13 H -4.767 1.940 -4.872 1.00 . A A . 4 LEU HD13 1 1 6 1494 1 1 4 LEU HD21 H -2.763 -0.575 -4.165 1.00 . A A . 4 LEU HD21 1 1 6 1495 1 1 4 LEU HD22 H -2.559 0.697 -2.962 1.00 . A A . 4 LEU HD22 1 1 6 1496 1 1 4 LEU HD23 H -2.962 1.115 -4.626 1.00 . A A . 4 LEU HD23 1 1 6 1497 1 1 4 LEU HG H -4.915 -0.713 -3.649 1.00 . A A . 4 LEU HG 1 1 6 1498 1 1 4 LEU N N -5.457 -0.875 -0.302 1.00 . A A . 4 LEU N 1 1 6 1499 1 1 4 LEU O O -2.238 0.470 -0.254 1.00 . A A . 4 LEU O 1 1 6 1500 1 1 5 PHE C C -2.171 0.318 2.571 1.00 . A A . 5 PHE C 1 1 6 1501 1 1 5 PHE CA C -3.183 1.353 2.176 1.00 . A A . 5 PHE CA 1 1 6 1502 1 1 5 PHE CB C -4.049 1.706 3.375 1.00 . A A . 5 PHE CB 1 1 6 1503 1 1 5 PHE CD1 C -2.650 3.073 4.947 1.00 . A A . 5 PHE CD1 1 1 6 1504 1 1 5 PHE CD2 C -3.153 0.821 5.548 1.00 . A A . 5 PHE CD2 1 1 6 1505 1 1 5 PHE CE1 C -1.921 3.225 6.110 1.00 . A A . 5 PHE CE1 1 1 6 1506 1 1 5 PHE CE2 C -2.426 0.968 6.715 1.00 . A A . 5 PHE CE2 1 1 6 1507 1 1 5 PHE CG C -3.273 1.872 4.653 1.00 . A A . 5 PHE CG 1 1 6 1508 1 1 5 PHE CZ C -1.810 2.171 6.996 1.00 . A A . 5 PHE CZ 1 1 6 1509 1 1 5 PHE H H -4.953 0.611 1.292 1.00 . A A . 5 PHE H 1 1 6 1510 1 1 5 PHE HA H -2.687 2.230 1.797 1.00 . A A . 5 PHE HA 1 1 6 1511 1 1 5 PHE HB2 H -4.551 2.626 3.169 1.00 . A A . 5 PHE HB2 1 1 6 1512 1 1 5 PHE HB3 H -4.781 0.919 3.521 1.00 . A A . 5 PHE HB3 1 1 6 1513 1 1 5 PHE HD1 H -2.737 3.897 4.254 1.00 . A A . 5 PHE HD1 1 1 6 1514 1 1 5 PHE HD2 H -3.634 -0.119 5.329 1.00 . A A . 5 PHE HD2 1 1 6 1515 1 1 5 PHE HE1 H -1.440 4.167 6.328 1.00 . A A . 5 PHE HE1 1 1 6 1516 1 1 5 PHE HE2 H -2.341 0.142 7.405 1.00 . A A . 5 PHE HE2 1 1 6 1517 1 1 5 PHE HZ H -1.240 2.288 7.906 1.00 . A A . 5 PHE HZ 1 1 6 1518 1 1 5 PHE N N -3.994 0.771 1.125 1.00 . A A . 5 PHE N 1 1 6 1519 1 1 5 PHE O O -1.067 0.611 3.030 1.00 . A A . 5 PHE O 1 1 6 1520 1 1 6 LYS C C -0.861 -2.290 1.426 1.00 . A A . 6 LYS C 1 1 6 1521 1 1 6 LYS CA C -1.784 -2.054 2.609 1.00 . A A . 6 LYS CA 1 1 6 1522 1 1 6 LYS CB C -2.677 -3.259 2.901 1.00 . A A . 6 LYS CB 1 1 6 1523 1 1 6 LYS CD C -3.256 -5.406 1.726 1.00 . A A . 6 LYS CD 1 1 6 1524 1 1 6 LYS CE C -2.580 -5.990 0.496 1.00 . A A . 6 LYS CE 1 1 6 1525 1 1 6 LYS CG C -3.305 -3.886 1.670 1.00 . A A . 6 LYS CG 1 1 6 1526 1 1 6 LYS H H -3.466 -1.034 1.948 1.00 . A A . 6 LYS H 1 1 6 1527 1 1 6 LYS HA H -1.200 -1.829 3.475 1.00 . A A . 6 LYS HA 1 1 6 1528 1 1 6 LYS HB2 H -2.096 -4.011 3.410 1.00 . A A . 6 LYS HB2 1 1 6 1529 1 1 6 LYS HB3 H -3.479 -2.932 3.550 1.00 . A A . 6 LYS HB3 1 1 6 1530 1 1 6 LYS HD2 H -2.704 -5.709 2.603 1.00 . A A . 6 LYS HD2 1 1 6 1531 1 1 6 LYS HD3 H -4.265 -5.787 1.786 1.00 . A A . 6 LYS HD3 1 1 6 1532 1 1 6 LYS HE2 H -2.979 -6.977 0.314 1.00 . A A . 6 LYS HE2 1 1 6 1533 1 1 6 LYS HE3 H -2.794 -5.355 -0.352 1.00 . A A . 6 LYS HE3 1 1 6 1534 1 1 6 LYS HG2 H -4.338 -3.570 1.615 1.00 . A A . 6 LYS HG2 1 1 6 1535 1 1 6 LYS HG3 H -2.775 -3.547 0.791 1.00 . A A . 6 LYS HG3 1 1 6 1536 1 1 6 LYS HZ1 H -0.669 -6.465 -0.200 1.00 . A A . 6 LYS HZ1 1 1 6 1537 1 1 6 LYS HZ2 H -0.878 -6.724 1.458 1.00 . A A . 6 LYS HZ2 1 1 6 1538 1 1 6 LYS HZ3 H -0.704 -5.150 0.864 1.00 . A A . 6 LYS HZ3 1 1 6 1539 1 1 6 LYS N N -2.585 -0.908 2.340 1.00 . A A . 6 LYS N 1 1 6 1540 1 1 6 LYS NZ N -1.104 -6.089 0.666 1.00 . A A . 6 LYS NZ 1 1 6 1541 1 1 6 LYS O O 0.248 -2.800 1.581 1.00 . A A . 6 LYS O 1 1 6 1542 1 1 7 LYS C C 0.442 -0.817 -1.044 1.00 . A A . 7 LYS C 1 1 6 1543 1 1 7 LYS CA C -0.496 -1.993 -0.953 1.00 . A A . 7 LYS CA 1 1 6 1544 1 1 7 LYS CB C -1.366 -2.095 -2.210 1.00 . A A . 7 LYS CB 1 1 6 1545 1 1 7 LYS CD C 0.423 -2.722 -3.874 1.00 . A A . 7 LYS CD 1 1 6 1546 1 1 7 LYS CE C 0.250 -1.483 -4.738 1.00 . A A . 7 LYS CE 1 1 6 1547 1 1 7 LYS CG C -0.884 -3.135 -3.212 1.00 . A A . 7 LYS CG 1 1 6 1548 1 1 7 LYS H H -2.200 -1.427 0.167 1.00 . A A . 7 LYS H 1 1 6 1549 1 1 7 LYS HA H 0.098 -2.866 -0.854 1.00 . A A . 7 LYS HA 1 1 6 1550 1 1 7 LYS HB2 H -2.371 -2.355 -1.914 1.00 . A A . 7 LYS HB2 1 1 6 1551 1 1 7 LYS HB3 H -1.384 -1.134 -2.700 1.00 . A A . 7 LYS HB3 1 1 6 1552 1 1 7 LYS HD2 H 1.155 -2.516 -3.109 1.00 . A A . 7 LYS HD2 1 1 6 1553 1 1 7 LYS HD3 H 0.770 -3.537 -4.494 1.00 . A A . 7 LYS HD3 1 1 6 1554 1 1 7 LYS HE2 H -0.260 -0.725 -4.164 1.00 . A A . 7 LYS HE2 1 1 6 1555 1 1 7 LYS HE3 H 1.226 -1.120 -5.023 1.00 . A A . 7 LYS HE3 1 1 6 1556 1 1 7 LYS HG2 H -0.731 -4.072 -2.696 1.00 . A A . 7 LYS HG2 1 1 6 1557 1 1 7 LYS HG3 H -1.638 -3.263 -3.973 1.00 . A A . 7 LYS HG3 1 1 6 1558 1 1 7 LYS HZ1 H -1.091 -0.931 -6.243 1.00 . A A . 7 LYS HZ1 1 1 6 1559 1 1 7 LYS HZ2 H -1.189 -2.562 -5.802 1.00 . A A . 7 LYS HZ2 1 1 6 1560 1 1 7 LYS HZ3 H 0.102 -2.019 -6.752 1.00 . A A . 7 LYS HZ3 1 1 6 1561 1 1 7 LYS N N -1.312 -1.867 0.238 1.00 . A A . 7 LYS N 1 1 6 1562 1 1 7 LYS NZ N -0.537 -1.769 -5.970 1.00 . A A . 7 LYS NZ 1 1 6 1563 1 1 7 LYS O O 1.442 -0.850 -1.763 1.00 . A A . 7 LYS O 1 1 6 1564 1 1 8 ILE C C 2.044 1.284 0.763 1.00 . A A . 8 ILE C 1 1 6 1565 1 1 8 ILE CA C 0.963 1.394 -0.295 1.00 . A A . 8 ILE CA 1 1 6 1566 1 1 8 ILE CB C 0.133 2.683 -0.100 1.00 . A A . 8 ILE CB 1 1 6 1567 1 1 8 ILE CD1 C -1.922 3.788 -1.117 1.00 . A A . 8 ILE CD1 1 1 6 1568 1 1 8 ILE CG1 C -0.656 2.998 -1.372 1.00 . A A . 8 ILE CG1 1 1 6 1569 1 1 8 ILE CG2 C 1.027 3.859 0.275 1.00 . A A . 8 ILE CG2 1 1 6 1570 1 1 8 ILE H H -0.674 0.190 0.280 1.00 . A A . 8 ILE H 1 1 6 1571 1 1 8 ILE HA H 1.432 1.419 -1.250 1.00 . A A . 8 ILE HA 1 1 6 1572 1 1 8 ILE HB H -0.562 2.517 0.711 1.00 . A A . 8 ILE HB 1 1 6 1573 1 1 8 ILE HD11 H -1.683 4.677 -0.553 1.00 . A A . 8 ILE HD11 1 1 6 1574 1 1 8 ILE HD12 H -2.617 3.181 -0.557 1.00 . A A . 8 ILE HD12 1 1 6 1575 1 1 8 ILE HD13 H -2.367 4.068 -2.060 1.00 . A A . 8 ILE HD13 1 1 6 1576 1 1 8 ILE HG12 H -0.036 3.574 -2.041 1.00 . A A . 8 ILE HG12 1 1 6 1577 1 1 8 ILE HG13 H -0.934 2.071 -1.853 1.00 . A A . 8 ILE HG13 1 1 6 1578 1 1 8 ILE HG21 H 1.451 3.689 1.254 1.00 . A A . 8 ILE HG21 1 1 6 1579 1 1 8 ILE HG22 H 0.442 4.767 0.289 1.00 . A A . 8 ILE HG22 1 1 6 1580 1 1 8 ILE HG23 H 1.821 3.953 -0.450 1.00 . A A . 8 ILE HG23 1 1 6 1581 1 1 8 ILE N N 0.130 0.221 -0.292 1.00 . A A . 8 ILE N 1 1 6 1582 1 1 8 ILE O O 3.171 1.742 0.576 1.00 . A A . 8 ILE O 1 1 6 1583 1 1 9 GLY C C 3.723 -0.527 2.511 1.00 . A A . 9 GLY C 1 1 6 1584 1 1 9 GLY CA C 2.642 0.444 2.928 1.00 . A A . 9 GLY CA 1 1 6 1585 1 1 9 GLY H H 0.789 0.287 1.923 1.00 . A A . 9 GLY H 1 1 6 1586 1 1 9 GLY HA2 H 3.094 1.391 3.185 1.00 . A A . 9 GLY HA2 1 1 6 1587 1 1 9 GLY HA3 H 2.127 0.049 3.790 1.00 . A A . 9 GLY HA3 1 1 6 1588 1 1 9 GLY N N 1.694 0.645 1.857 1.00 . A A . 9 GLY N 1 1 6 1589 1 1 9 GLY O O 4.891 -0.393 2.880 1.00 . A A . 9 GLY O 1 1 6 1590 1 1 10 ALA C C 5.276 -1.819 0.291 1.00 . A A . 10 ALA C 1 1 6 1591 1 1 10 ALA CA C 4.315 -2.473 1.252 1.00 . A A . 10 ALA CA 1 1 6 1592 1 1 10 ALA CB C 3.653 -3.687 0.625 1.00 . A A . 10 ALA CB 1 1 6 1593 1 1 10 ALA H H 2.413 -1.572 1.419 1.00 . A A . 10 ALA H 1 1 6 1594 1 1 10 ALA HA H 4.879 -2.787 2.121 1.00 . A A . 10 ALA HA 1 1 6 1595 1 1 10 ALA HB1 H 2.705 -3.399 0.194 1.00 . A A . 10 ALA HB1 1 1 6 1596 1 1 10 ALA HB2 H 3.491 -4.441 1.381 1.00 . A A . 10 ALA HB2 1 1 6 1597 1 1 10 ALA HB3 H 4.296 -4.084 -0.149 1.00 . A A . 10 ALA HB3 1 1 6 1598 1 1 10 ALA N N 3.346 -1.509 1.711 1.00 . A A . 10 ALA N 1 1 6 1599 1 1 10 ALA O O 6.439 -2.201 0.221 1.00 . A A . 10 ALA O 1 1 6 1600 1 1 11 VAL C C 6.916 0.362 -0.502 1.00 . A A . 11 VAL C 1 1 6 1601 1 1 11 VAL CA C 5.715 -0.093 -1.315 1.00 . A A . 11 VAL CA 1 1 6 1602 1 1 11 VAL CB C 5.047 1.118 -1.983 1.00 . A A . 11 VAL CB 1 1 6 1603 1 1 11 VAL CG1 C 6.029 1.816 -2.910 1.00 . A A . 11 VAL CG1 1 1 6 1604 1 1 11 VAL CG2 C 3.800 0.683 -2.735 1.00 . A A . 11 VAL CG2 1 1 6 1605 1 1 11 VAL H H 3.888 -0.497 -0.317 1.00 . A A . 11 VAL H 1 1 6 1606 1 1 11 VAL HA H 6.045 -0.788 -2.073 1.00 . A A . 11 VAL HA 1 1 6 1607 1 1 11 VAL HB H 4.755 1.813 -1.212 1.00 . A A . 11 VAL HB 1 1 6 1608 1 1 11 VAL HG11 H 7.038 1.566 -2.615 1.00 . A A . 11 VAL HG11 1 1 6 1609 1 1 11 VAL HG12 H 5.888 2.884 -2.843 1.00 . A A . 11 VAL HG12 1 1 6 1610 1 1 11 VAL HG13 H 5.859 1.492 -3.925 1.00 . A A . 11 VAL HG13 1 1 6 1611 1 1 11 VAL HG21 H 2.999 1.378 -2.533 1.00 . A A . 11 VAL HG21 1 1 6 1612 1 1 11 VAL HG22 H 3.512 -0.305 -2.409 1.00 . A A . 11 VAL HG22 1 1 6 1613 1 1 11 VAL HG23 H 4.005 0.667 -3.795 1.00 . A A . 11 VAL HG23 1 1 6 1614 1 1 11 VAL N N 4.819 -0.797 -0.421 1.00 . A A . 11 VAL N 1 1 6 1615 1 1 11 VAL O O 8.053 0.353 -0.973 1.00 . A A . 11 VAL O 1 1 6 1616 1 1 12 LEU C C 8.761 0.019 1.690 1.00 . A A . 12 LEU C 1 1 6 1617 1 1 12 LEU CA C 7.679 1.081 1.702 1.00 . A A . 12 LEU CA 1 1 6 1618 1 1 12 LEU CB C 7.085 1.153 3.105 1.00 . A A . 12 LEU CB 1 1 6 1619 1 1 12 LEU CD1 C 7.307 3.576 3.709 1.00 . A A . 12 LEU CD1 1 1 6 1620 1 1 12 LEU CD2 C 5.384 2.818 2.304 1.00 . A A . 12 LEU CD2 1 1 6 1621 1 1 12 LEU CG C 6.330 2.444 3.435 1.00 . A A . 12 LEU CG 1 1 6 1622 1 1 12 LEU H H 5.717 0.630 1.076 1.00 . A A . 12 LEU H 1 1 6 1623 1 1 12 LEU HA H 8.086 2.038 1.416 1.00 . A A . 12 LEU HA 1 1 6 1624 1 1 12 LEU HB2 H 6.404 0.310 3.219 1.00 . A A . 12 LEU HB2 1 1 6 1625 1 1 12 LEU HB3 H 7.887 1.038 3.818 1.00 . A A . 12 LEU HB3 1 1 6 1626 1 1 12 LEU HD11 H 6.782 4.518 3.691 1.00 . A A . 12 LEU HD11 1 1 6 1627 1 1 12 LEU HD12 H 8.077 3.579 2.951 1.00 . A A . 12 LEU HD12 1 1 6 1628 1 1 12 LEU HD13 H 7.760 3.434 4.679 1.00 . A A . 12 LEU HD13 1 1 6 1629 1 1 12 LEU HD21 H 5.946 2.939 1.390 1.00 . A A . 12 LEU HD21 1 1 6 1630 1 1 12 LEU HD22 H 4.883 3.744 2.545 1.00 . A A . 12 LEU HD22 1 1 6 1631 1 1 12 LEU HD23 H 4.652 2.035 2.175 1.00 . A A . 12 LEU HD23 1 1 6 1632 1 1 12 LEU HG H 5.741 2.289 4.328 1.00 . A A . 12 LEU HG 1 1 6 1633 1 1 12 LEU N N 6.642 0.693 0.759 1.00 . A A . 12 LEU N 1 1 6 1634 1 1 12 LEU O O 9.951 0.302 1.830 1.00 . A A . 12 LEU O 1 1 6 1635 1 1 13 LYS C C 9.880 -2.432 0.115 1.00 . A A . 13 LYS C 1 1 6 1636 1 1 13 LYS CA C 9.179 -2.368 1.459 1.00 . A A . 13 LYS CA 1 1 6 1637 1 1 13 LYS CB C 8.364 -3.641 1.668 1.00 . A A . 13 LYS CB 1 1 6 1638 1 1 13 LYS CD C 7.268 -5.173 3.334 1.00 . A A . 13 LYS CD 1 1 6 1639 1 1 13 LYS CE C 6.952 -5.382 4.807 1.00 . A A . 13 LYS CE 1 1 6 1640 1 1 13 LYS CG C 7.776 -3.765 3.065 1.00 . A A . 13 LYS CG 1 1 6 1641 1 1 13 LYS H H 7.336 -1.343 1.391 1.00 . A A . 13 LYS H 1 1 6 1642 1 1 13 LYS HA H 9.905 -2.274 2.245 1.00 . A A . 13 LYS HA 1 1 6 1643 1 1 13 LYS HB2 H 7.550 -3.648 0.955 1.00 . A A . 13 LYS HB2 1 1 6 1644 1 1 13 LYS HB3 H 8.997 -4.496 1.487 1.00 . A A . 13 LYS HB3 1 1 6 1645 1 1 13 LYS HD2 H 6.371 -5.338 2.757 1.00 . A A . 13 LYS HD2 1 1 6 1646 1 1 13 LYS HD3 H 8.027 -5.882 3.034 1.00 . A A . 13 LYS HD3 1 1 6 1647 1 1 13 LYS HE2 H 7.081 -4.445 5.328 1.00 . A A . 13 LYS HE2 1 1 6 1648 1 1 13 LYS HE3 H 5.926 -5.706 4.899 1.00 . A A . 13 LYS HE3 1 1 6 1649 1 1 13 LYS HG2 H 8.540 -3.524 3.789 1.00 . A A . 13 LYS HG2 1 1 6 1650 1 1 13 LYS HG3 H 6.955 -3.071 3.163 1.00 . A A . 13 LYS HG3 1 1 6 1651 1 1 13 LYS HZ1 H 7.712 -7.323 4.953 1.00 . A A . 13 LYS HZ1 1 1 6 1652 1 1 13 LYS HZ2 H 7.611 -6.513 6.435 1.00 . A A . 13 LYS HZ2 1 1 6 1653 1 1 13 LYS HZ3 H 8.835 -6.115 5.337 1.00 . A A . 13 LYS HZ3 1 1 6 1654 1 1 13 LYS N N 8.306 -1.212 1.508 1.00 . A A . 13 LYS N 1 1 6 1655 1 1 13 LYS NZ N 7.839 -6.404 5.427 1.00 . A A . 13 LYS NZ 1 1 6 1656 1 1 13 LYS O O 11.055 -2.787 0.016 1.00 . A A . 13 LYS O 1 1 6 1657 1 1 14 VAL C C 10.526 -0.863 -2.515 1.00 . A A . 14 VAL C 1 1 6 1658 1 1 14 VAL CA C 9.624 -2.072 -2.272 1.00 . A A . 14 VAL CA 1 1 6 1659 1 1 14 VAL CB C 8.431 -2.066 -3.250 1.00 . A A . 14 VAL CB 1 1 6 1660 1 1 14 VAL CG1 C 8.770 -1.363 -4.561 1.00 . A A . 14 VAL CG1 1 1 6 1661 1 1 14 VAL CG2 C 7.955 -3.487 -3.511 1.00 . A A . 14 VAL CG2 1 1 6 1662 1 1 14 VAL H H 8.211 -1.804 -0.756 1.00 . A A . 14 VAL H 1 1 6 1663 1 1 14 VAL HA H 10.184 -2.970 -2.418 1.00 . A A . 14 VAL HA 1 1 6 1664 1 1 14 VAL HB H 7.623 -1.527 -2.772 1.00 . A A . 14 VAL HB 1 1 6 1665 1 1 14 VAL HG11 H 8.839 -0.300 -4.391 1.00 . A A . 14 VAL HG11 1 1 6 1666 1 1 14 VAL HG12 H 7.995 -1.563 -5.287 1.00 . A A . 14 VAL HG12 1 1 6 1667 1 1 14 VAL HG13 H 9.714 -1.731 -4.933 1.00 . A A . 14 VAL HG13 1 1 6 1668 1 1 14 VAL HG21 H 7.644 -3.580 -4.542 1.00 . A A . 14 VAL HG21 1 1 6 1669 1 1 14 VAL HG22 H 7.120 -3.711 -2.863 1.00 . A A . 14 VAL HG22 1 1 6 1670 1 1 14 VAL HG23 H 8.760 -4.178 -3.313 1.00 . A A . 14 VAL HG23 1 1 6 1671 1 1 14 VAL N N 9.132 -2.077 -0.916 1.00 . A A . 14 VAL N 1 1 6 1672 1 1 14 VAL O O 11.187 -0.757 -3.548 1.00 . A A . 14 VAL O 1 1 6 1673 1 1 15 LEU C C 12.748 1.014 -1.109 1.00 . A A . 15 LEU C 1 1 6 1674 1 1 15 LEU CA C 11.331 1.254 -1.626 1.00 . A A . 15 LEU CA 1 1 6 1675 1 1 15 LEU CB C 10.646 2.350 -0.812 1.00 . A A . 15 LEU CB 1 1 6 1676 1 1 15 LEU CD1 C 8.982 4.180 -1.229 1.00 . A A . 15 LEU CD1 1 1 6 1677 1 1 15 LEU CD2 C 11.430 4.686 -1.281 1.00 . A A . 15 LEU CD2 1 1 6 1678 1 1 15 LEU CG C 10.361 3.644 -1.578 1.00 . A A . 15 LEU CG 1 1 6 1679 1 1 15 LEU H H 9.982 -0.110 -0.759 1.00 . A A . 15 LEU H 1 1 6 1680 1 1 15 LEU HA H 11.380 1.560 -2.659 1.00 . A A . 15 LEU HA 1 1 6 1681 1 1 15 LEU HB2 H 9.706 1.953 -0.447 1.00 . A A . 15 LEU HB2 1 1 6 1682 1 1 15 LEU HB3 H 11.270 2.587 0.037 1.00 . A A . 15 LEU HB3 1 1 6 1683 1 1 15 LEU HD11 H 9.039 4.757 -0.317 1.00 . A A . 15 LEU HD11 1 1 6 1684 1 1 15 LEU HD12 H 8.299 3.354 -1.089 1.00 . A A . 15 LEU HD12 1 1 6 1685 1 1 15 LEU HD13 H 8.626 4.810 -2.031 1.00 . A A . 15 LEU HD13 1 1 6 1686 1 1 15 LEU HD21 H 11.443 4.898 -0.222 1.00 . A A . 15 LEU HD21 1 1 6 1687 1 1 15 LEU HD22 H 11.212 5.592 -1.827 1.00 . A A . 15 LEU HD22 1 1 6 1688 1 1 15 LEU HD23 H 12.395 4.307 -1.582 1.00 . A A . 15 LEU HD23 1 1 6 1689 1 1 15 LEU HG H 10.380 3.438 -2.638 1.00 . A A . 15 LEU HG 1 1 6 1690 1 1 15 LEU N N 10.535 0.041 -1.549 1.00 . A A . 15 LEU N 1 1 6 1691 1 1 15 LEU O O 13.640 0.740 -1.940 1.00 . A A . 15 LEU O 1 1 6 1692 1 1 15 LEU OXT O 12.954 1.105 0.119 1.00 . A A . 15 LEU OXT 1 1 7 1693 1 1 1 LYS C C -7.648 2.374 2.150 1.00 . A A . 1 LYS C 1 1 7 1694 1 1 1 LYS CA C -7.647 3.664 1.355 1.00 . A A . 1 LYS CA 1 1 7 1695 1 1 1 LYS CB C -8.976 4.403 1.531 1.00 . A A . 1 LYS CB 1 1 7 1696 1 1 1 LYS CD C -11.451 4.473 1.105 1.00 . A A . 1 LYS CD 1 1 7 1697 1 1 1 LYS CE C -11.858 5.217 -0.157 1.00 . A A . 1 LYS CE 1 1 7 1698 1 1 1 LYS CG C -10.164 3.693 0.901 1.00 . A A . 1 LYS CG 1 1 7 1699 1 1 1 LYS H1 H -6.546 2.859 -0.187 1.00 . A A . 1 LYS H1 1 1 7 1700 1 1 1 LYS H2 H -7.335 4.335 -0.565 1.00 . A A . 1 LYS H2 1 1 7 1701 1 1 1 LYS H3 H -8.237 2.881 -0.458 1.00 . A A . 1 LYS H3 1 1 7 1702 1 1 1 LYS HA H -6.857 4.271 1.715 1.00 . A A . 1 LYS HA 1 1 7 1703 1 1 1 LYS HB2 H -9.173 4.517 2.587 1.00 . A A . 1 LYS HB2 1 1 7 1704 1 1 1 LYS HB3 H -8.890 5.382 1.084 1.00 . A A . 1 LYS HB3 1 1 7 1705 1 1 1 LYS HD2 H -12.240 3.786 1.375 1.00 . A A . 1 LYS HD2 1 1 7 1706 1 1 1 LYS HD3 H -11.306 5.189 1.902 1.00 . A A . 1 LYS HD3 1 1 7 1707 1 1 1 LYS HE2 H -12.300 6.161 0.122 1.00 . A A . 1 LYS HE2 1 1 7 1708 1 1 1 LYS HE3 H -10.976 5.396 -0.754 1.00 . A A . 1 LYS HE3 1 1 7 1709 1 1 1 LYS HG2 H -9.986 3.585 -0.158 1.00 . A A . 1 LYS HG2 1 1 7 1710 1 1 1 LYS HG3 H -10.267 2.717 1.352 1.00 . A A . 1 LYS HG3 1 1 7 1711 1 1 1 LYS HZ1 H -12.549 4.426 -1.965 1.00 . A A . 1 LYS HZ1 1 1 7 1712 1 1 1 LYS HZ2 H -13.782 4.883 -0.902 1.00 . A A . 1 LYS HZ2 1 1 7 1713 1 1 1 LYS HZ3 H -12.904 3.466 -0.617 1.00 . A A . 1 LYS HZ3 1 1 7 1714 1 1 1 LYS N N -7.422 3.411 -0.094 1.00 . A A . 1 LYS N 1 1 7 1715 1 1 1 LYS NZ N -12.843 4.444 -0.967 1.00 . A A . 1 LYS NZ 1 1 7 1716 1 1 1 LYS O O -7.107 2.303 3.252 1.00 . A A . 1 LYS O 1 1 7 1717 1 1 2 TRP C C -7.278 -0.927 1.958 1.00 . A A . 2 TRP C 1 1 7 1718 1 1 2 TRP CA C -8.426 0.076 2.244 1.00 . A A . 2 TRP CA 1 1 7 1719 1 1 2 TRP CB C -9.775 -0.533 1.938 1.00 . A A . 2 TRP CB 1 1 7 1720 1 1 2 TRP CD1 C -11.591 0.474 0.522 1.00 . A A . 2 TRP CD1 1 1 7 1721 1 1 2 TRP CD2 C -9.653 0.237 -0.450 1.00 . A A . 2 TRP CD2 1 1 7 1722 1 1 2 TRP CE2 C -10.521 0.738 -1.406 1.00 . A A . 2 TRP CE2 1 1 7 1723 1 1 2 TRP CE3 C -8.359 0.004 -0.750 1.00 . A A . 2 TRP CE3 1 1 7 1724 1 1 2 TRP CG C -10.358 0.032 0.722 1.00 . A A . 2 TRP CG 1 1 7 1725 1 1 2 TRP CH2 C -8.791 0.742 -2.989 1.00 . A A . 2 TRP CH2 1 1 7 1726 1 1 2 TRP CZ2 C -10.104 1.004 -2.704 1.00 . A A . 2 TRP CZ2 1 1 7 1727 1 1 2 TRP CZ3 C -7.926 0.255 -1.996 1.00 . A A . 2 TRP CZ3 1 1 7 1728 1 1 2 TRP H H -8.729 1.543 0.745 1.00 . A A . 2 TRP H 1 1 7 1729 1 1 2 TRP HA H -8.419 0.283 3.248 1.00 . A A . 2 TRP HA 1 1 7 1730 1 1 2 TRP HB2 H -9.657 -1.596 1.786 1.00 . A A . 2 TRP HB2 1 1 7 1731 1 1 2 TRP HB3 H -10.451 -0.354 2.758 1.00 . A A . 2 TRP HB3 1 1 7 1732 1 1 2 TRP HD1 H -12.333 0.480 1.281 1.00 . A A . 2 TRP HD1 1 1 7 1733 1 1 2 TRP HE1 H -12.522 1.225 -1.193 1.00 . A A . 2 TRP HE1 1 1 7 1734 1 1 2 TRP HE3 H -7.664 -0.310 0.034 1.00 . A A . 2 TRP HE3 1 1 7 1735 1 1 2 TRP HH2 H -8.400 0.929 -3.978 1.00 . A A . 2 TRP HH2 1 1 7 1736 1 1 2 TRP HZ2 H -10.775 1.378 -3.463 1.00 . A A . 2 TRP HZ2 1 1 7 1737 1 1 2 TRP HZ3 H -6.920 0.039 -2.218 1.00 . A A . 2 TRP HZ3 1 1 7 1738 1 1 2 TRP N N -8.293 1.380 1.593 1.00 . A A . 2 TRP N 1 1 7 1739 1 1 2 TRP NE1 N -11.723 0.887 -0.785 1.00 . A A . 2 TRP NE1 1 1 7 1740 1 1 2 TRP O O -6.252 -0.895 2.637 1.00 . A A . 2 TRP O 1 1 7 1741 1 1 3 LYS C C -5.330 -2.231 -0.240 1.00 . A A . 3 LYS C 1 1 7 1742 1 1 3 LYS CA C -6.438 -2.820 0.615 1.00 . A A . 3 LYS CA 1 1 7 1743 1 1 3 LYS CB C -7.082 -3.998 -0.110 1.00 . A A . 3 LYS CB 1 1 7 1744 1 1 3 LYS CD C -6.047 -5.930 -1.346 1.00 . A A . 3 LYS CD 1 1 7 1745 1 1 3 LYS CE C -4.697 -6.629 -1.390 1.00 . A A . 3 LYS CE 1 1 7 1746 1 1 3 LYS CG C -6.303 -5.298 0.014 1.00 . A A . 3 LYS CG 1 1 7 1747 1 1 3 LYS H H -8.270 -1.811 0.445 1.00 . A A . 3 LYS H 1 1 7 1748 1 1 3 LYS HA H -6.009 -3.159 1.530 1.00 . A A . 3 LYS HA 1 1 7 1749 1 1 3 LYS HB2 H -8.071 -4.155 0.293 1.00 . A A . 3 LYS HB2 1 1 7 1750 1 1 3 LYS HB3 H -7.166 -3.750 -1.158 1.00 . A A . 3 LYS HB3 1 1 7 1751 1 1 3 LYS HD2 H -6.822 -6.653 -1.548 1.00 . A A . 3 LYS HD2 1 1 7 1752 1 1 3 LYS HD3 H -6.067 -5.158 -2.100 1.00 . A A . 3 LYS HD3 1 1 7 1753 1 1 3 LYS HE2 H -4.060 -6.203 -0.630 1.00 . A A . 3 LYS HE2 1 1 7 1754 1 1 3 LYS HE3 H -4.844 -7.680 -1.188 1.00 . A A . 3 LYS HE3 1 1 7 1755 1 1 3 LYS HG2 H -5.355 -5.095 0.488 1.00 . A A . 3 LYS HG2 1 1 7 1756 1 1 3 LYS HG3 H -6.870 -5.989 0.621 1.00 . A A . 3 LYS HG3 1 1 7 1757 1 1 3 LYS HZ1 H -4.742 -6.254 -3.445 1.00 . A A . 3 LYS HZ1 1 1 7 1758 1 1 3 LYS HZ2 H -3.551 -7.360 -2.976 1.00 . A A . 3 LYS HZ2 1 1 7 1759 1 1 3 LYS HZ3 H -3.335 -5.709 -2.680 1.00 . A A . 3 LYS HZ3 1 1 7 1760 1 1 3 LYS N N -7.450 -1.822 0.959 1.00 . A A . 3 LYS N 1 1 7 1761 1 1 3 LYS NZ N -4.034 -6.477 -2.715 1.00 . A A . 3 LYS NZ 1 1 7 1762 1 1 3 LYS O O -4.395 -2.919 -0.649 1.00 . A A . 3 LYS O 1 1 7 1763 1 1 4 LEU C C -3.451 0.341 -0.181 1.00 . A A . 4 LEU C 1 1 7 1764 1 1 4 LEU CA C -4.425 -0.195 -1.179 1.00 . A A . 4 LEU CA 1 1 7 1765 1 1 4 LEU CB C -5.032 1.010 -1.854 1.00 . A A . 4 LEU CB 1 1 7 1766 1 1 4 LEU CD1 C -5.369 -0.434 -3.912 1.00 . A A . 4 LEU CD1 1 1 7 1767 1 1 4 LEU CD2 C -6.137 1.955 -3.904 1.00 . A A . 4 LEU CD2 1 1 7 1768 1 1 4 LEU CG C -5.092 0.974 -3.392 1.00 . A A . 4 LEU CG 1 1 7 1769 1 1 4 LEU H H -6.160 -0.479 -0.033 1.00 . A A . 4 LEU H 1 1 7 1770 1 1 4 LEU HA H -3.951 -0.839 -1.895 1.00 . A A . 4 LEU HA 1 1 7 1771 1 1 4 LEU HB2 H -6.028 1.155 -1.446 1.00 . A A . 4 LEU HB2 1 1 7 1772 1 1 4 LEU HB3 H -4.429 1.850 -1.564 1.00 . A A . 4 LEU HB3 1 1 7 1773 1 1 4 LEU HD11 H -5.635 -1.081 -3.089 1.00 . A A . 4 LEU HD11 1 1 7 1774 1 1 4 LEU HD12 H -4.485 -0.818 -4.398 1.00 . A A . 4 LEU HD12 1 1 7 1775 1 1 4 LEU HD13 H -6.183 -0.403 -4.622 1.00 . A A . 4 LEU HD13 1 1 7 1776 1 1 4 LEU HD21 H -6.687 1.504 -4.717 1.00 . A A . 4 LEU HD21 1 1 7 1777 1 1 4 LEU HD22 H -5.646 2.851 -4.255 1.00 . A A . 4 LEU HD22 1 1 7 1778 1 1 4 LEU HD23 H -6.817 2.208 -3.105 1.00 . A A . 4 LEU HD23 1 1 7 1779 1 1 4 LEU HG H -4.133 1.281 -3.782 1.00 . A A . 4 LEU HG 1 1 7 1780 1 1 4 LEU N N -5.422 -0.946 -0.439 1.00 . A A . 4 LEU N 1 1 7 1781 1 1 4 LEU O O -2.237 0.244 -0.314 1.00 . A A . 4 LEU O 1 1 7 1782 1 1 5 PHE C C -2.399 0.403 2.489 1.00 . A A . 5 PHE C 1 1 7 1783 1 1 5 PHE CA C -3.384 1.425 1.987 1.00 . A A . 5 PHE CA 1 1 7 1784 1 1 5 PHE CB C -4.462 1.699 3.012 1.00 . A A . 5 PHE CB 1 1 7 1785 1 1 5 PHE CD1 C -4.693 4.193 2.889 1.00 . A A . 5 PHE CD1 1 1 7 1786 1 1 5 PHE CD2 C -3.992 3.220 4.949 1.00 . A A . 5 PHE CD2 1 1 7 1787 1 1 5 PHE CE1 C -4.613 5.452 3.453 1.00 . A A . 5 PHE CE1 1 1 7 1788 1 1 5 PHE CE2 C -3.910 4.476 5.519 1.00 . A A . 5 PHE CE2 1 1 7 1789 1 1 5 PHE CG C -4.384 3.064 3.629 1.00 . A A . 5 PHE CG 1 1 7 1790 1 1 5 PHE CZ C -4.221 5.594 4.770 1.00 . A A . 5 PHE CZ 1 1 7 1791 1 1 5 PHE H H -5.035 0.860 0.866 1.00 . A A . 5 PHE H 1 1 7 1792 1 1 5 PHE HA H -2.884 2.331 1.709 1.00 . A A . 5 PHE HA 1 1 7 1793 1 1 5 PHE HB2 H -5.427 1.593 2.504 1.00 . A A . 5 PHE HB2 1 1 7 1794 1 1 5 PHE HB3 H -4.394 0.962 3.795 1.00 . A A . 5 PHE HB3 1 1 7 1795 1 1 5 PHE HD1 H -4.997 4.083 1.859 1.00 . A A . 5 PHE HD1 1 1 7 1796 1 1 5 PHE HD2 H -3.749 2.346 5.536 1.00 . A A . 5 PHE HD2 1 1 7 1797 1 1 5 PHE HE1 H -4.856 6.325 2.865 1.00 . A A . 5 PHE HE1 1 1 7 1798 1 1 5 PHE HE2 H -3.604 4.584 6.549 1.00 . A A . 5 PHE HE2 1 1 7 1799 1 1 5 PHE HZ H -4.157 6.577 5.213 1.00 . A A . 5 PHE HZ 1 1 7 1800 1 1 5 PHE N N -4.059 0.874 0.853 1.00 . A A . 5 PHE N 1 1 7 1801 1 1 5 PHE O O -1.298 0.710 2.945 1.00 . A A . 5 PHE O 1 1 7 1802 1 1 6 LYS C C -1.058 -2.273 1.594 1.00 . A A . 6 LYS C 1 1 7 1803 1 1 6 LYS CA C -2.066 -1.979 2.698 1.00 . A A . 6 LYS CA 1 1 7 1804 1 1 6 LYS CB C -3.017 -3.155 2.947 1.00 . A A . 6 LYS CB 1 1 7 1805 1 1 6 LYS CD C -3.378 -5.502 2.118 1.00 . A A . 6 LYS CD 1 1 7 1806 1 1 6 LYS CE C -4.677 -5.817 2.843 1.00 . A A . 6 LYS CE 1 1 7 1807 1 1 6 LYS CG C -3.296 -4.033 1.733 1.00 . A A . 6 LYS CG 1 1 7 1808 1 1 6 LYS H H -3.699 -0.962 1.941 1.00 . A A . 6 LYS H 1 1 7 1809 1 1 6 LYS HA H -1.546 -1.747 3.605 1.00 . A A . 6 LYS HA 1 1 7 1810 1 1 6 LYS HB2 H -2.606 -3.775 3.726 1.00 . A A . 6 LYS HB2 1 1 7 1811 1 1 6 LYS HB3 H -3.962 -2.746 3.283 1.00 . A A . 6 LYS HB3 1 1 7 1812 1 1 6 LYS HD2 H -3.322 -6.102 1.222 1.00 . A A . 6 LYS HD2 1 1 7 1813 1 1 6 LYS HD3 H -2.547 -5.741 2.765 1.00 . A A . 6 LYS HD3 1 1 7 1814 1 1 6 LYS HE2 H -5.151 -4.889 3.127 1.00 . A A . 6 LYS HE2 1 1 7 1815 1 1 6 LYS HE3 H -5.325 -6.361 2.172 1.00 . A A . 6 LYS HE3 1 1 7 1816 1 1 6 LYS HG2 H -4.238 -3.735 1.303 1.00 . A A . 6 LYS HG2 1 1 7 1817 1 1 6 LYS HG3 H -2.510 -3.903 1.007 1.00 . A A . 6 LYS HG3 1 1 7 1818 1 1 6 LYS HZ1 H -5.286 -6.601 4.681 1.00 . A A . 6 LYS HZ1 1 1 7 1819 1 1 6 LYS HZ2 H -3.630 -6.270 4.593 1.00 . A A . 6 LYS HZ2 1 1 7 1820 1 1 6 LYS HZ3 H -4.263 -7.625 3.804 1.00 . A A . 6 LYS HZ3 1 1 7 1821 1 1 6 LYS N N -2.831 -0.828 2.338 1.00 . A A . 6 LYS N 1 1 7 1822 1 1 6 LYS NZ N -4.448 -6.635 4.065 1.00 . A A . 6 LYS NZ 1 1 7 1823 1 1 6 LYS O O 0.000 -2.851 1.840 1.00 . A A . 6 LYS O 1 1 7 1824 1 1 7 LYS C C 0.462 -0.862 -0.877 1.00 . A A . 7 LYS C 1 1 7 1825 1 1 7 LYS CA C -0.489 -2.023 -0.763 1.00 . A A . 7 LYS CA 1 1 7 1826 1 1 7 LYS CB C -1.282 -2.198 -2.060 1.00 . A A . 7 LYS CB 1 1 7 1827 1 1 7 LYS CD C -0.897 -2.040 -4.539 1.00 . A A . 7 LYS CD 1 1 7 1828 1 1 7 LYS CE C -0.751 -0.527 -4.515 1.00 . A A . 7 LYS CE 1 1 7 1829 1 1 7 LYS CG C -0.434 -2.665 -3.233 1.00 . A A . 7 LYS CG 1 1 7 1830 1 1 7 LYS H H -2.242 -1.346 0.228 1.00 . A A . 7 LYS H 1 1 7 1831 1 1 7 LYS HA H 0.096 -2.894 -0.583 1.00 . A A . 7 LYS HA 1 1 7 1832 1 1 7 LYS HB2 H -2.063 -2.927 -1.897 1.00 . A A . 7 LYS HB2 1 1 7 1833 1 1 7 LYS HB3 H -1.733 -1.253 -2.324 1.00 . A A . 7 LYS HB3 1 1 7 1834 1 1 7 LYS HD2 H -0.301 -2.435 -5.348 1.00 . A A . 7 LYS HD2 1 1 7 1835 1 1 7 LYS HD3 H -1.936 -2.290 -4.698 1.00 . A A . 7 LYS HD3 1 1 7 1836 1 1 7 LYS HE2 H -1.582 -0.106 -3.968 1.00 . A A . 7 LYS HE2 1 1 7 1837 1 1 7 LYS HE3 H 0.172 -0.275 -4.014 1.00 . A A . 7 LYS HE3 1 1 7 1838 1 1 7 LYS HG2 H 0.593 -2.385 -3.057 1.00 . A A . 7 LYS HG2 1 1 7 1839 1 1 7 LYS HG3 H -0.508 -3.739 -3.313 1.00 . A A . 7 LYS HG3 1 1 7 1840 1 1 7 LYS HZ1 H -0.073 -0.481 -6.490 1.00 . A A . 7 LYS HZ1 1 1 7 1841 1 1 7 LYS HZ2 H -0.425 1.044 -5.852 1.00 . A A . 7 LYS HZ2 1 1 7 1842 1 1 7 LYS HZ3 H -1.682 0.009 -6.306 1.00 . A A . 7 LYS HZ3 1 1 7 1843 1 1 7 LYS N N -1.385 -1.835 0.369 1.00 . A A . 7 LYS N 1 1 7 1844 1 1 7 LYS NZ N -0.732 0.052 -5.887 1.00 . A A . 7 LYS NZ 1 1 7 1845 1 1 7 LYS O O 1.455 -0.924 -1.605 1.00 . A A . 7 LYS O 1 1 7 1846 1 1 8 ILE C C 2.121 1.232 0.876 1.00 . A A . 8 ILE C 1 1 7 1847 1 1 8 ILE CA C 1.030 1.351 -0.170 1.00 . A A . 8 ILE CA 1 1 7 1848 1 1 8 ILE CB C 0.226 2.660 0.017 1.00 . A A . 8 ILE CB 1 1 7 1849 1 1 8 ILE CD1 C -1.692 3.929 -1.070 1.00 . A A . 8 ILE CD1 1 1 7 1850 1 1 8 ILE CG1 C -0.501 3.020 -1.279 1.00 . A A . 8 ILE CG1 1 1 7 1851 1 1 8 ILE CG2 C 1.133 3.803 0.453 1.00 . A A . 8 ILE CG2 1 1 7 1852 1 1 8 ILE H H -0.620 0.184 0.436 1.00 . A A . 8 ILE H 1 1 7 1853 1 1 8 ILE HA H 1.487 1.355 -1.131 1.00 . A A . 8 ILE HA 1 1 7 1854 1 1 8 ILE HB H -0.507 2.497 0.794 1.00 . A A . 8 ILE HB 1 1 7 1855 1 1 8 ILE HD11 H -1.767 4.620 -1.897 1.00 . A A . 8 ILE HD11 1 1 7 1856 1 1 8 ILE HD12 H -1.567 4.481 -0.150 1.00 . A A . 8 ILE HD12 1 1 7 1857 1 1 8 ILE HD13 H -2.593 3.336 -1.015 1.00 . A A . 8 ILE HD13 1 1 7 1858 1 1 8 ILE HG12 H 0.187 3.523 -1.943 1.00 . A A . 8 ILE HG12 1 1 7 1859 1 1 8 ILE HG13 H -0.852 2.114 -1.750 1.00 . A A . 8 ILE HG13 1 1 7 1860 1 1 8 ILE HG21 H 1.538 3.588 1.431 1.00 . A A . 8 ILE HG21 1 1 7 1861 1 1 8 ILE HG22 H 0.563 4.720 0.494 1.00 . A A . 8 ILE HG22 1 1 7 1862 1 1 8 ILE HG23 H 1.941 3.913 -0.256 1.00 . A A . 8 ILE HG23 1 1 7 1863 1 1 8 ILE N N 0.175 0.193 -0.141 1.00 . A A . 8 ILE N 1 1 7 1864 1 1 8 ILE O O 3.239 1.715 0.690 1.00 . A A . 8 ILE O 1 1 7 1865 1 1 9 GLY C C 3.838 -0.621 2.564 1.00 . A A . 9 GLY C 1 1 7 1866 1 1 9 GLY CA C 2.762 0.342 3.010 1.00 . A A . 9 GLY CA 1 1 7 1867 1 1 9 GLY H H 0.899 0.175 2.022 1.00 . A A . 9 GLY H 1 1 7 1868 1 1 9 GLY HA2 H 3.214 1.288 3.274 1.00 . A A . 9 GLY HA2 1 1 7 1869 1 1 9 GLY HA3 H 2.260 -0.067 3.875 1.00 . A A . 9 GLY HA3 1 1 7 1870 1 1 9 GLY N N 1.796 0.554 1.955 1.00 . A A . 9 GLY N 1 1 7 1871 1 1 9 GLY O O 5.011 -0.484 2.916 1.00 . A A . 9 GLY O 1 1 7 1872 1 1 10 ALA C C 5.369 -1.882 0.318 1.00 . A A . 10 ALA C 1 1 7 1873 1 1 10 ALA CA C 4.420 -2.555 1.278 1.00 . A A . 10 ALA CA 1 1 7 1874 1 1 10 ALA CB C 3.752 -3.758 0.636 1.00 . A A . 10 ALA CB 1 1 7 1875 1 1 10 ALA H H 2.516 -1.666 1.487 1.00 . A A . 10 ALA H 1 1 7 1876 1 1 10 ALA HA H 4.994 -2.884 2.136 1.00 . A A . 10 ALA HA 1 1 7 1877 1 1 10 ALA HB1 H 4.374 -4.123 -0.169 1.00 . A A . 10 ALA HB1 1 1 7 1878 1 1 10 ALA HB2 H 2.788 -3.469 0.246 1.00 . A A . 10 ALA HB2 1 1 7 1879 1 1 10 ALA HB3 H 3.626 -4.536 1.373 1.00 . A A . 10 ALA HB3 1 1 7 1880 1 1 10 ALA N N 3.453 -1.599 1.763 1.00 . A A . 10 ALA N 1 1 7 1881 1 1 10 ALA O O 6.540 -2.242 0.246 1.00 . A A . 10 ALA O 1 1 7 1882 1 1 11 VAL C C 6.952 0.351 -0.470 1.00 . A A . 11 VAL C 1 1 7 1883 1 1 11 VAL CA C 5.771 -0.144 -1.286 1.00 . A A . 11 VAL CA 1 1 7 1884 1 1 11 VAL CB C 5.072 1.042 -1.968 1.00 . A A . 11 VAL CB 1 1 7 1885 1 1 11 VAL CG1 C 6.045 1.780 -2.874 1.00 . A A . 11 VAL CG1 1 1 7 1886 1 1 11 VAL CG2 C 3.859 0.561 -2.746 1.00 . A A . 11 VAL CG2 1 1 7 1887 1 1 11 VAL H H 3.955 -0.585 -0.284 1.00 . A A . 11 VAL H 1 1 7 1888 1 1 11 VAL HA H 6.127 -0.835 -2.036 1.00 . A A . 11 VAL HA 1 1 7 1889 1 1 11 VAL HB H 4.736 1.726 -1.203 1.00 . A A . 11 VAL HB 1 1 7 1890 1 1 11 VAL HG11 H 5.835 1.537 -3.904 1.00 . A A . 11 VAL HG11 1 1 7 1891 1 1 11 VAL HG12 H 7.056 1.481 -2.631 1.00 . A A . 11 VAL HG12 1 1 7 1892 1 1 11 VAL HG13 H 5.939 2.844 -2.725 1.00 . A A . 11 VAL HG13 1 1 7 1893 1 1 11 VAL HG21 H 3.072 1.296 -2.676 1.00 . A A . 11 VAL HG21 1 1 7 1894 1 1 11 VAL HG22 H 3.516 -0.375 -2.328 1.00 . A A . 11 VAL HG22 1 1 7 1895 1 1 11 VAL HG23 H 4.129 0.416 -3.781 1.00 . A A . 11 VAL HG23 1 1 7 1896 1 1 11 VAL N N 4.890 -0.868 -0.392 1.00 . A A . 11 VAL N 1 1 7 1897 1 1 11 VAL O O 8.085 0.397 -0.945 1.00 . A A . 11 VAL O 1 1 7 1898 1 1 12 LEU C C 8.828 0.056 1.671 1.00 . A A . 12 LEU C 1 1 7 1899 1 1 12 LEU CA C 7.696 1.061 1.739 1.00 . A A . 12 LEU CA 1 1 7 1900 1 1 12 LEU CB C 7.117 1.054 3.150 1.00 . A A . 12 LEU CB 1 1 7 1901 1 1 12 LEU CD1 C 5.529 1.998 4.845 1.00 . A A . 12 LEU CD1 1 1 7 1902 1 1 12 LEU CD2 C 6.623 3.511 3.182 1.00 . A A . 12 LEU CD2 1 1 7 1903 1 1 12 LEU CG C 6.055 2.121 3.425 1.00 . A A . 12 LEU CG 1 1 7 1904 1 1 12 LEU H H 5.752 0.539 1.120 1.00 . A A . 12 LEU H 1 1 7 1905 1 1 12 LEU HA H 8.050 2.047 1.480 1.00 . A A . 12 LEU HA 1 1 7 1906 1 1 12 LEU HB2 H 6.672 0.072 3.319 1.00 . A A . 12 LEU HB2 1 1 7 1907 1 1 12 LEU HB3 H 7.926 1.190 3.852 1.00 . A A . 12 LEU HB3 1 1 7 1908 1 1 12 LEU HD11 H 6.349 1.783 5.516 1.00 . A A . 12 LEU HD11 1 1 7 1909 1 1 12 LEU HD12 H 4.806 1.197 4.894 1.00 . A A . 12 LEU HD12 1 1 7 1910 1 1 12 LEU HD13 H 5.060 2.926 5.137 1.00 . A A . 12 LEU HD13 1 1 7 1911 1 1 12 LEU HD21 H 6.450 3.797 2.155 1.00 . A A . 12 LEU HD21 1 1 7 1912 1 1 12 LEU HD22 H 7.685 3.506 3.380 1.00 . A A . 12 LEU HD22 1 1 7 1913 1 1 12 LEU HD23 H 6.138 4.218 3.840 1.00 . A A . 12 LEU HD23 1 1 7 1914 1 1 12 LEU HG H 5.225 1.975 2.748 1.00 . A A . 12 LEU HG 1 1 7 1915 1 1 12 LEU N N 6.671 0.649 0.798 1.00 . A A . 12 LEU N 1 1 7 1916 1 1 12 LEU O O 10.007 0.394 1.776 1.00 . A A . 12 LEU O 1 1 7 1917 1 1 13 LYS C C 9.964 -2.350 -0.012 1.00 . A A . 13 LYS C 1 1 7 1918 1 1 13 LYS CA C 9.345 -2.307 1.374 1.00 . A A . 13 LYS CA 1 1 7 1919 1 1 13 LYS CB C 8.602 -3.615 1.636 1.00 . A A . 13 LYS CB 1 1 7 1920 1 1 13 LYS CD C 6.970 -4.754 3.171 1.00 . A A . 13 LYS CD 1 1 7 1921 1 1 13 LYS CE C 6.220 -4.605 4.485 1.00 . A A . 13 LYS CE 1 1 7 1922 1 1 13 LYS CG C 8.120 -3.765 3.070 1.00 . A A . 13 LYS CG 1 1 7 1923 1 1 13 LYS H H 7.458 -1.366 1.395 1.00 . A A . 13 LYS H 1 1 7 1924 1 1 13 LYS HA H 10.113 -2.177 2.113 1.00 . A A . 13 LYS HA 1 1 7 1925 1 1 13 LYS HB2 H 7.742 -3.658 0.981 1.00 . A A . 13 LYS HB2 1 1 7 1926 1 1 13 LYS HB3 H 9.259 -4.440 1.409 1.00 . A A . 13 LYS HB3 1 1 7 1927 1 1 13 LYS HD2 H 6.285 -4.579 2.355 1.00 . A A . 13 LYS HD2 1 1 7 1928 1 1 13 LYS HD3 H 7.364 -5.758 3.104 1.00 . A A . 13 LYS HD3 1 1 7 1929 1 1 13 LYS HE2 H 6.939 -4.551 5.290 1.00 . A A . 13 LYS HE2 1 1 7 1930 1 1 13 LYS HE3 H 5.646 -3.690 4.455 1.00 . A A . 13 LYS HE3 1 1 7 1931 1 1 13 LYS HG2 H 8.939 -4.118 3.679 1.00 . A A . 13 LYS HG2 1 1 7 1932 1 1 13 LYS HG3 H 7.789 -2.803 3.431 1.00 . A A . 13 LYS HG3 1 1 7 1933 1 1 13 LYS HZ1 H 5.525 -6.194 5.649 1.00 . A A . 13 LYS HZ1 1 1 7 1934 1 1 13 LYS HZ2 H 5.395 -6.459 3.984 1.00 . A A . 13 LYS HZ2 1 1 7 1935 1 1 13 LYS HZ3 H 4.315 -5.415 4.759 1.00 . A A . 13 LYS HZ3 1 1 7 1936 1 1 13 LYS N N 8.423 -1.193 1.479 1.00 . A A . 13 LYS N 1 1 7 1937 1 1 13 LYS NZ N 5.300 -5.749 4.737 1.00 . A A . 13 LYS NZ 1 1 7 1938 1 1 13 LYS O O 11.135 -2.689 -0.182 1.00 . A A . 13 LYS O 1 1 7 1939 1 1 14 VAL C C 10.393 -0.749 -2.704 1.00 . A A . 14 VAL C 1 1 7 1940 1 1 14 VAL CA C 9.570 -1.997 -2.384 1.00 . A A . 14 VAL CA 1 1 7 1941 1 1 14 VAL CB C 8.331 -2.087 -3.307 1.00 . A A . 14 VAL CB 1 1 7 1942 1 1 14 VAL CG1 C 8.178 -0.851 -4.187 1.00 . A A . 14 VAL CG1 1 1 7 1943 1 1 14 VAL CG2 C 8.389 -3.348 -4.157 1.00 . A A . 14 VAL CG2 1 1 7 1944 1 1 14 VAL H H 8.237 -1.750 -0.791 1.00 . A A . 14 VAL H 1 1 7 1945 1 1 14 VAL HA H 10.174 -2.866 -2.540 1.00 . A A . 14 VAL HA 1 1 7 1946 1 1 14 VAL HB H 7.456 -2.153 -2.672 1.00 . A A . 14 VAL HB 1 1 7 1947 1 1 14 VAL HG11 H 7.235 -0.896 -4.711 1.00 . A A . 14 VAL HG11 1 1 7 1948 1 1 14 VAL HG12 H 8.986 -0.816 -4.903 1.00 . A A . 14 VAL HG12 1 1 7 1949 1 1 14 VAL HG13 H 8.205 0.035 -3.571 1.00 . A A . 14 VAL HG13 1 1 7 1950 1 1 14 VAL HG21 H 7.404 -3.569 -4.542 1.00 . A A . 14 VAL HG21 1 1 7 1951 1 1 14 VAL HG22 H 8.733 -4.174 -3.553 1.00 . A A . 14 VAL HG22 1 1 7 1952 1 1 14 VAL HG23 H 9.071 -3.195 -4.981 1.00 . A A . 14 VAL HG23 1 1 7 1953 1 1 14 VAL N N 9.151 -2.005 -1.001 1.00 . A A . 14 VAL N 1 1 7 1954 1 1 14 VAL O O 10.908 -0.594 -3.811 1.00 . A A . 14 VAL O 1 1 7 1955 1 1 15 LEU C C 12.714 1.183 -1.540 1.00 . A A . 15 LEU C 1 1 7 1956 1 1 15 LEU CA C 11.238 1.377 -1.875 1.00 . A A . 15 LEU CA 1 1 7 1957 1 1 15 LEU CB C 10.620 2.438 -0.966 1.00 . A A . 15 LEU CB 1 1 7 1958 1 1 15 LEU CD1 C 8.906 3.766 -2.223 1.00 . A A . 15 LEU CD1 1 1 7 1959 1 1 15 LEU CD2 C 10.478 4.922 -0.658 1.00 . A A . 15 LEU CD2 1 1 7 1960 1 1 15 LEU CG C 10.311 3.775 -1.644 1.00 . A A . 15 LEU CG 1 1 7 1961 1 1 15 LEU H H 10.058 -0.048 -0.870 1.00 . A A . 15 LEU H 1 1 7 1962 1 1 15 LEU HA H 11.148 1.699 -2.902 1.00 . A A . 15 LEU HA 1 1 7 1963 1 1 15 LEU HB2 H 9.696 2.035 -0.568 1.00 . A A . 15 LEU HB2 1 1 7 1964 1 1 15 LEU HB3 H 11.296 2.621 -0.145 1.00 . A A . 15 LEU HB3 1 1 7 1965 1 1 15 LEU HD11 H 8.891 4.336 -3.141 1.00 . A A . 15 LEU HD11 1 1 7 1966 1 1 15 LEU HD12 H 8.221 4.208 -1.515 1.00 . A A . 15 LEU HD12 1 1 7 1967 1 1 15 LEU HD13 H 8.605 2.749 -2.427 1.00 . A A . 15 LEU HD13 1 1 7 1968 1 1 15 LEU HD21 H 11.504 4.965 -0.325 1.00 . A A . 15 LEU HD21 1 1 7 1969 1 1 15 LEU HD22 H 9.829 4.763 0.191 1.00 . A A . 15 LEU HD22 1 1 7 1970 1 1 15 LEU HD23 H 10.217 5.851 -1.142 1.00 . A A . 15 LEU HD23 1 1 7 1971 1 1 15 LEU HG H 11.006 3.927 -2.457 1.00 . A A . 15 LEU HG 1 1 7 1972 1 1 15 LEU N N 10.499 0.136 -1.723 1.00 . A A . 15 LEU N 1 1 7 1973 1 1 15 LEU O O 13.528 2.044 -1.936 1.00 . A A . 15 LEU O 1 1 7 1974 1 1 15 LEU OXT O 13.043 0.173 -0.882 1.00 . A A . 15 LEU OXT 1 1 8 1975 1 1 1 LYS C C -7.630 2.102 2.544 1.00 . A A . 1 LYS C 1 1 8 1976 1 1 1 LYS CA C -7.741 3.423 1.817 1.00 . A A . 1 LYS CA 1 1 8 1977 1 1 1 LYS CB C -9.000 4.170 2.263 1.00 . A A . 1 LYS CB 1 1 8 1978 1 1 1 LYS CD C -11.263 4.280 1.163 1.00 . A A . 1 LYS CD 1 1 8 1979 1 1 1 LYS CE C -10.685 4.634 -0.198 1.00 . A A . 1 LYS CE 1 1 8 1980 1 1 1 LYS CG C -10.298 3.427 1.974 1.00 . A A . 1 LYS CG 1 1 8 1981 1 1 1 LYS H1 H -7.519 4.130 -0.103 1.00 . A A . 1 LYS H1 1 1 8 1982 1 1 1 LYS H2 H -8.761 2.962 0.088 1.00 . A A . 1 LYS H2 1 1 8 1983 1 1 1 LYS H3 H -7.115 2.477 0.100 1.00 . A A . 1 LYS H3 1 1 8 1984 1 1 1 LYS HA H -6.883 4.006 2.052 1.00 . A A . 1 LYS HA 1 1 8 1985 1 1 1 LYS HB2 H -8.941 4.336 3.325 1.00 . A A . 1 LYS HB2 1 1 8 1986 1 1 1 LYS HB3 H -9.034 5.121 1.758 1.00 . A A . 1 LYS HB3 1 1 8 1987 1 1 1 LYS HD2 H -12.180 3.730 1.020 1.00 . A A . 1 LYS HD2 1 1 8 1988 1 1 1 LYS HD3 H -11.468 5.191 1.707 1.00 . A A . 1 LYS HD3 1 1 8 1989 1 1 1 LYS HE2 H -11.135 5.556 -0.537 1.00 . A A . 1 LYS HE2 1 1 8 1990 1 1 1 LYS HE3 H -9.618 4.772 -0.098 1.00 . A A . 1 LYS HE3 1 1 8 1991 1 1 1 LYS HG2 H -10.077 2.531 1.421 1.00 . A A . 1 LYS HG2 1 1 8 1992 1 1 1 LYS HG3 H -10.767 3.167 2.912 1.00 . A A . 1 LYS HG3 1 1 8 1993 1 1 1 LYS HZ1 H -10.045 3.139 -1.509 1.00 . A A . 1 LYS HZ1 1 1 8 1994 1 1 1 LYS HZ2 H -11.414 3.977 -2.042 1.00 . A A . 1 LYS HZ2 1 1 8 1995 1 1 1 LYS HZ3 H -11.553 2.831 -0.805 1.00 . A A . 1 LYS HZ3 1 1 8 1996 1 1 1 LYS N N -7.789 3.231 0.343 1.00 . A A . 1 LYS N 1 1 8 1997 1 1 1 LYS NZ N -10.942 3.571 -1.209 1.00 . A A . 1 LYS NZ 1 1 8 1998 1 1 1 LYS O O -7.026 2.006 3.611 1.00 . A A . 1 LYS O 1 1 8 1999 1 1 2 TRP C C -7.112 -1.168 2.164 1.00 . A A . 2 TRP C 1 1 8 2000 1 1 2 TRP CA C -8.284 -0.235 2.565 1.00 . A A . 2 TRP CA 1 1 8 2001 1 1 2 TRP CB C -9.619 -0.895 2.319 1.00 . A A . 2 TRP CB 1 1 8 2002 1 1 2 TRP CD1 C -11.563 0.065 1.049 1.00 . A A . 2 TRP CD1 1 1 8 2003 1 1 2 TRP CD2 C -9.677 -0.040 -0.043 1.00 . A A . 2 TRP CD2 1 1 8 2004 1 1 2 TRP CE2 C -10.626 0.445 -0.928 1.00 . A A . 2 TRP CE2 1 1 8 2005 1 1 2 TRP CE3 C -8.394 -0.195 -0.428 1.00 . A A . 2 TRP CE3 1 1 8 2006 1 1 2 TRP CG C -10.299 -0.320 1.160 1.00 . A A . 2 TRP CG 1 1 8 2007 1 1 2 TRP CH2 C -8.998 0.592 -2.611 1.00 . A A . 2 TRP CH2 1 1 8 2008 1 1 2 TRP CZ2 C -10.304 0.775 -2.238 1.00 . A A . 2 TRP CZ2 1 1 8 2009 1 1 2 TRP CZ3 C -8.051 0.118 -1.688 1.00 . A A . 2 TRP CZ3 1 1 8 2010 1 1 2 TRP H H -8.748 1.281 1.158 1.00 . A A . 2 TRP H 1 1 8 2011 1 1 2 TRP HA H -8.220 -0.073 3.576 1.00 . A A . 2 TRP HA 1 1 8 2012 1 1 2 TRP HB2 H -9.463 -1.945 2.122 1.00 . A A . 2 TRP HB2 1 1 8 2013 1 1 2 TRP HB3 H -10.252 -0.774 3.183 1.00 . A A . 2 TRP HB3 1 1 8 2014 1 1 2 TRP HD1 H -12.256 0.008 1.850 1.00 . A A . 2 TRP HD1 1 1 8 2015 1 1 2 TRP HE1 H -12.632 0.821 -0.580 1.00 . A A . 2 TRP HE1 1 1 8 2016 1 1 2 TRP HE3 H -7.637 -0.498 0.301 1.00 . A A . 2 TRP HE3 1 1 8 2017 1 1 2 TRP HH2 H -8.678 0.831 -3.613 1.00 . A A . 2 TRP HH2 1 1 8 2018 1 1 2 TRP HZ2 H -11.037 1.139 -2.943 1.00 . A A . 2 TRP HZ2 1 1 8 2019 1 1 2 TRP HZ3 H -7.050 -0.036 -1.977 1.00 . A A . 2 TRP HZ3 1 1 8 2020 1 1 2 TRP N N -8.254 1.102 1.973 1.00 . A A . 2 TRP N 1 1 8 2021 1 1 2 TRP NE1 N -11.795 0.513 -0.233 1.00 . A A . 2 TRP NE1 1 1 8 2022 1 1 2 TRP O O -6.045 -1.112 2.775 1.00 . A A . 2 TRP O 1 1 8 2023 1 1 3 LYS C C -5.259 -2.296 -0.204 1.00 . A A . 3 LYS C 1 1 8 2024 1 1 3 LYS CA C -6.279 -2.968 0.696 1.00 . A A . 3 LYS CA 1 1 8 2025 1 1 3 LYS CB C -6.914 -4.149 -0.029 1.00 . A A . 3 LYS CB 1 1 8 2026 1 1 3 LYS CD C -8.345 -5.015 1.846 1.00 . A A . 3 LYS CD 1 1 8 2027 1 1 3 LYS CE C -8.851 -6.269 2.542 1.00 . A A . 3 LYS CE 1 1 8 2028 1 1 3 LYS CG C -7.217 -5.332 0.876 1.00 . A A . 3 LYS CG 1 1 8 2029 1 1 3 LYS H H -8.162 -2.044 0.686 1.00 . A A . 3 LYS H 1 1 8 2030 1 1 3 LYS HA H -5.775 -3.317 1.567 1.00 . A A . 3 LYS HA 1 1 8 2031 1 1 3 LYS HB2 H -7.837 -3.819 -0.480 1.00 . A A . 3 LYS HB2 1 1 8 2032 1 1 3 LYS HB3 H -6.243 -4.480 -0.807 1.00 . A A . 3 LYS HB3 1 1 8 2033 1 1 3 LYS HD2 H -7.982 -4.324 2.592 1.00 . A A . 3 LYS HD2 1 1 8 2034 1 1 3 LYS HD3 H -9.160 -4.563 1.300 1.00 . A A . 3 LYS HD3 1 1 8 2035 1 1 3 LYS HE2 H -9.449 -5.977 3.391 1.00 . A A . 3 LYS HE2 1 1 8 2036 1 1 3 LYS HE3 H -9.460 -6.829 1.848 1.00 . A A . 3 LYS HE3 1 1 8 2037 1 1 3 LYS HG2 H -7.505 -6.175 0.267 1.00 . A A . 3 LYS HG2 1 1 8 2038 1 1 3 LYS HG3 H -6.328 -5.578 1.439 1.00 . A A . 3 LYS HG3 1 1 8 2039 1 1 3 LYS HZ1 H -7.514 -7.856 2.296 1.00 . A A . 3 LYS HZ1 1 1 8 2040 1 1 3 LYS HZ2 H -7.998 -7.610 3.898 1.00 . A A . 3 LYS HZ2 1 1 8 2041 1 1 3 LYS HZ3 H -6.883 -6.559 3.182 1.00 . A A . 3 LYS HZ3 1 1 8 2042 1 1 3 LYS N N -7.310 -2.033 1.145 1.00 . A A . 3 LYS N 1 1 8 2043 1 1 3 LYS NZ N -7.733 -7.133 3.012 1.00 . A A . 3 LYS NZ 1 1 8 2044 1 1 3 LYS O O -4.330 -2.925 -0.706 1.00 . A A . 3 LYS O 1 1 8 2045 1 1 4 LEU C C -3.493 0.343 -0.143 1.00 . A A . 4 LEU C 1 1 8 2046 1 1 4 LEU CA C -4.507 -0.180 -1.106 1.00 . A A . 4 LEU CA 1 1 8 2047 1 1 4 LEU CB C -5.205 1.030 -1.673 1.00 . A A . 4 LEU CB 1 1 8 2048 1 1 4 LEU CD1 C -5.583 -0.310 -3.796 1.00 . A A . 4 LEU CD1 1 1 8 2049 1 1 4 LEU CD2 C -6.490 2.020 -3.594 1.00 . A A . 4 LEU CD2 1 1 8 2050 1 1 4 LEU CG C -5.358 1.079 -3.205 1.00 . A A . 4 LEU CG 1 1 8 2051 1 1 4 LEU H H -6.145 -0.592 0.139 1.00 . A A . 4 LEU H 1 1 8 2052 1 1 4 LEU HA H -4.057 -0.769 -1.883 1.00 . A A . 4 LEU HA 1 1 8 2053 1 1 4 LEU HB2 H -6.179 1.106 -1.201 1.00 . A A . 4 LEU HB2 1 1 8 2054 1 1 4 LEU HB3 H -4.622 1.880 -1.370 1.00 . A A . 4 LEU HB3 1 1 8 2055 1 1 4 LEU HD11 H -5.768 -1.018 -3.002 1.00 . A A . 4 LEU HD11 1 1 8 2056 1 1 4 LEU HD12 H -4.705 -0.612 -4.348 1.00 . A A . 4 LEU HD12 1 1 8 2057 1 1 4 LEU HD13 H -6.434 -0.286 -4.461 1.00 . A A . 4 LEU HD13 1 1 8 2058 1 1 4 LEU HD21 H -7.132 2.185 -2.742 1.00 . A A . 4 LEU HD21 1 1 8 2059 1 1 4 LEU HD22 H -7.063 1.582 -4.397 1.00 . A A . 4 LEU HD22 1 1 8 2060 1 1 4 LEU HD23 H -6.077 2.963 -3.922 1.00 . A A . 4 LEU HD23 1 1 8 2061 1 1 4 LEU HG H -4.445 1.470 -3.631 1.00 . A A . 4 LEU HG 1 1 8 2062 1 1 4 LEU N N -5.417 -1.008 -0.338 1.00 . A A . 4 LEU N 1 1 8 2063 1 1 4 LEU O O -2.284 0.266 -0.335 1.00 . A A . 4 LEU O 1 1 8 2064 1 1 5 PHE C C -2.331 0.326 2.475 1.00 . A A . 5 PHE C 1 1 8 2065 1 1 5 PHE CA C -3.339 1.363 2.053 1.00 . A A . 5 PHE CA 1 1 8 2066 1 1 5 PHE CB C -4.369 1.607 3.133 1.00 . A A . 5 PHE CB 1 1 8 2067 1 1 5 PHE CD1 C -3.803 3.095 5.072 1.00 . A A . 5 PHE CD1 1 1 8 2068 1 1 5 PHE CD2 C -4.628 4.101 3.074 1.00 . A A . 5 PHE CD2 1 1 8 2069 1 1 5 PHE CE1 C -3.698 4.340 5.661 1.00 . A A . 5 PHE CE1 1 1 8 2070 1 1 5 PHE CE2 C -4.528 5.350 3.658 1.00 . A A . 5 PHE CE2 1 1 8 2071 1 1 5 PHE CG C -4.269 2.961 3.773 1.00 . A A . 5 PHE CG 1 1 8 2072 1 1 5 PHE CZ C -4.061 5.469 4.953 1.00 . A A . 5 PHE CZ 1 1 8 2073 1 1 5 PHE H H -5.037 0.809 0.993 1.00 . A A . 5 PHE H 1 1 8 2074 1 1 5 PHE HA H -2.852 2.275 1.775 1.00 . A A . 5 PHE HA 1 1 8 2075 1 1 5 PHE HB2 H -5.357 1.505 2.670 1.00 . A A . 5 PHE HB2 1 1 8 2076 1 1 5 PHE HB3 H -4.260 0.855 3.898 1.00 . A A . 5 PHE HB3 1 1 8 2077 1 1 5 PHE HD1 H -3.519 2.212 5.626 1.00 . A A . 5 PHE HD1 1 1 8 2078 1 1 5 PHE HD2 H -4.990 4.010 2.061 1.00 . A A . 5 PHE HD2 1 1 8 2079 1 1 5 PHE HE1 H -3.334 4.430 6.674 1.00 . A A . 5 PHE HE1 1 1 8 2080 1 1 5 PHE HE2 H -4.812 6.231 3.103 1.00 . A A . 5 PHE HE2 1 1 8 2081 1 1 5 PHE HZ H -3.980 6.444 5.411 1.00 . A A . 5 PHE HZ 1 1 8 2082 1 1 5 PHE N N -4.061 0.839 0.933 1.00 . A A . 5 PHE N 1 1 8 2083 1 1 5 PHE O O -1.199 0.619 2.860 1.00 . A A . 5 PHE O 1 1 8 2084 1 1 6 LYS C C -1.001 -2.277 1.489 1.00 . A A . 6 LYS C 1 1 8 2085 1 1 6 LYS CA C -2.000 -2.063 2.618 1.00 . A A . 6 LYS CA 1 1 8 2086 1 1 6 LYS CB C -2.932 -3.269 2.783 1.00 . A A . 6 LYS CB 1 1 8 2087 1 1 6 LYS CD C -2.380 -5.391 1.546 1.00 . A A . 6 LYS CD 1 1 8 2088 1 1 6 LYS CE C -2.473 -6.127 0.219 1.00 . A A . 6 LYS CE 1 1 8 2089 1 1 6 LYS CG C -3.154 -4.083 1.513 1.00 . A A . 6 LYS CG 1 1 8 2090 1 1 6 LYS H H -3.674 -1.023 1.989 1.00 . A A . 6 LYS H 1 1 8 2091 1 1 6 LYS HA H -1.479 -1.888 3.537 1.00 . A A . 6 LYS HA 1 1 8 2092 1 1 6 LYS HB2 H -2.525 -3.923 3.538 1.00 . A A . 6 LYS HB2 1 1 8 2093 1 1 6 LYS HB3 H -3.896 -2.905 3.117 1.00 . A A . 6 LYS HB3 1 1 8 2094 1 1 6 LYS HD2 H -1.342 -5.179 1.755 1.00 . A A . 6 LYS HD2 1 1 8 2095 1 1 6 LYS HD3 H -2.785 -6.019 2.326 1.00 . A A . 6 LYS HD3 1 1 8 2096 1 1 6 LYS HE2 H -2.522 -7.188 0.412 1.00 . A A . 6 LYS HE2 1 1 8 2097 1 1 6 LYS HE3 H -3.374 -5.813 -0.289 1.00 . A A . 6 LYS HE3 1 1 8 2098 1 1 6 LYS HG2 H -4.207 -4.303 1.418 1.00 . A A . 6 LYS HG2 1 1 8 2099 1 1 6 LYS HG3 H -2.831 -3.505 0.663 1.00 . A A . 6 LYS HG3 1 1 8 2100 1 1 6 LYS HZ1 H -1.171 -4.821 -0.763 1.00 . A A . 6 LYS HZ1 1 1 8 2101 1 1 6 LYS HZ2 H -1.450 -6.266 -1.596 1.00 . A A . 6 LYS HZ2 1 1 8 2102 1 1 6 LYS HZ3 H -0.440 -6.256 -0.239 1.00 . A A . 6 LYS HZ3 1 1 8 2103 1 1 6 LYS N N -2.781 -0.902 2.332 1.00 . A A . 6 LYS N 1 1 8 2104 1 1 6 LYS NZ N -1.301 -5.848 -0.656 1.00 . A A . 6 LYS NZ 1 1 8 2105 1 1 6 LYS O O 0.070 -2.850 1.690 1.00 . A A . 6 LYS O 1 1 8 2106 1 1 7 LYS C C 0.458 -0.730 -0.941 1.00 . A A . 7 LYS C 1 1 8 2107 1 1 7 LYS CA C -0.478 -1.909 -0.862 1.00 . A A . 7 LYS CA 1 1 8 2108 1 1 7 LYS CB C -1.289 -2.035 -2.153 1.00 . A A . 7 LYS CB 1 1 8 2109 1 1 7 LYS CD C 0.200 -3.741 -3.241 1.00 . A A . 7 LYS CD 1 1 8 2110 1 1 7 LYS CE C 1.627 -3.638 -2.727 1.00 . A A . 7 LYS CE 1 1 8 2111 1 1 7 LYS CG C -0.446 -2.372 -3.372 1.00 . A A . 7 LYS CG 1 1 8 2112 1 1 7 LYS H H -2.229 -1.314 0.186 1.00 . A A . 7 LYS H 1 1 8 2113 1 1 7 LYS HA H 0.120 -2.780 -0.734 1.00 . A A . 7 LYS HA 1 1 8 2114 1 1 7 LYS HB2 H -2.027 -2.813 -2.026 1.00 . A A . 7 LYS HB2 1 1 8 2115 1 1 7 LYS HB3 H -1.795 -1.099 -2.339 1.00 . A A . 7 LYS HB3 1 1 8 2116 1 1 7 LYS HD2 H -0.378 -4.336 -2.549 1.00 . A A . 7 LYS HD2 1 1 8 2117 1 1 7 LYS HD3 H 0.208 -4.218 -4.209 1.00 . A A . 7 LYS HD3 1 1 8 2118 1 1 7 LYS HE2 H 2.274 -3.375 -3.550 1.00 . A A . 7 LYS HE2 1 1 8 2119 1 1 7 LYS HE3 H 1.670 -2.864 -1.975 1.00 . A A . 7 LYS HE3 1 1 8 2120 1 1 7 LYS HG2 H -1.078 -2.366 -4.248 1.00 . A A . 7 LYS HG2 1 1 8 2121 1 1 7 LYS HG3 H 0.329 -1.626 -3.479 1.00 . A A . 7 LYS HG3 1 1 8 2122 1 1 7 LYS HZ1 H 3.108 -5.058 -2.335 1.00 . A A . 7 LYS HZ1 1 1 8 2123 1 1 7 LYS HZ2 H 1.562 -5.717 -2.530 1.00 . A A . 7 LYS HZ2 1 1 8 2124 1 1 7 LYS HZ3 H 1.961 -4.906 -1.101 1.00 . A A . 7 LYS HZ3 1 1 8 2125 1 1 7 LYS N N -1.356 -1.788 0.292 1.00 . A A . 7 LYS N 1 1 8 2126 1 1 7 LYS NZ N 2.097 -4.919 -2.132 1.00 . A A . 7 LYS NZ 1 1 8 2127 1 1 7 LYS O O 1.421 -0.735 -1.709 1.00 . A A . 7 LYS O 1 1 8 2128 1 1 8 ILE C C 2.117 1.309 0.935 1.00 . A A . 8 ILE C 1 1 8 2129 1 1 8 ILE CA C 1.035 1.440 -0.121 1.00 . A A . 8 ILE CA 1 1 8 2130 1 1 8 ILE CB C 0.215 2.736 0.085 1.00 . A A . 8 ILE CB 1 1 8 2131 1 1 8 ILE CD1 C -1.340 4.369 -1.096 1.00 . A A . 8 ILE CD1 1 1 8 2132 1 1 8 ILE CG1 C -0.466 3.141 -1.223 1.00 . A A . 8 ILE CG1 1 1 8 2133 1 1 8 ILE CG2 C 1.094 3.871 0.599 1.00 . A A . 8 ILE CG2 1 1 8 2134 1 1 8 ILE H H -0.578 0.222 0.475 1.00 . A A . 8 ILE H 1 1 8 2135 1 1 8 ILE HA H 1.504 1.473 -1.078 1.00 . A A . 8 ILE HA 1 1 8 2136 1 1 8 ILE HB H -0.546 2.538 0.828 1.00 . A A . 8 ILE HB 1 1 8 2137 1 1 8 ILE HD11 H -0.717 5.251 -1.070 1.00 . A A . 8 ILE HD11 1 1 8 2138 1 1 8 ILE HD12 H -1.916 4.309 -0.185 1.00 . A A . 8 ILE HD12 1 1 8 2139 1 1 8 ILE HD13 H -2.008 4.425 -1.942 1.00 . A A . 8 ILE HD13 1 1 8 2140 1 1 8 ILE HG12 H 0.289 3.347 -1.966 1.00 . A A . 8 ILE HG12 1 1 8 2141 1 1 8 ILE HG13 H -1.087 2.325 -1.565 1.00 . A A . 8 ILE HG13 1 1 8 2142 1 1 8 ILE HG21 H 1.472 3.616 1.579 1.00 . A A . 8 ILE HG21 1 1 8 2143 1 1 8 ILE HG22 H 0.511 4.778 0.662 1.00 . A A . 8 ILE HG22 1 1 8 2144 1 1 8 ILE HG23 H 1.921 4.020 -0.078 1.00 . A A . 8 ILE HG23 1 1 8 2145 1 1 8 ILE N N 0.192 0.274 -0.130 1.00 . A A . 8 ILE N 1 1 8 2146 1 1 8 ILE O O 3.221 1.830 0.784 1.00 . A A . 8 ILE O 1 1 8 2147 1 1 9 GLY C C 3.828 -0.620 2.601 1.00 . A A . 9 GLY C 1 1 8 2148 1 1 9 GLY CA C 2.754 0.351 3.042 1.00 . A A . 9 GLY CA 1 1 8 2149 1 1 9 GLY H H 0.911 0.173 2.022 1.00 . A A . 9 GLY H 1 1 8 2150 1 1 9 GLY HA2 H 3.214 1.292 3.315 1.00 . A A . 9 GLY HA2 1 1 8 2151 1 1 9 GLY HA3 H 2.244 -0.056 3.902 1.00 . A A . 9 GLY HA3 1 1 8 2152 1 1 9 GLY N N 1.797 0.579 1.982 1.00 . A A . 9 GLY N 1 1 8 2153 1 1 9 GLY O O 4.991 -0.515 2.991 1.00 . A A . 9 GLY O 1 1 8 2154 1 1 10 ALA C C 5.343 -1.887 0.296 1.00 . A A . 10 ALA C 1 1 8 2155 1 1 10 ALA CA C 4.410 -2.534 1.286 1.00 . A A . 10 ALA CA 1 1 8 2156 1 1 10 ALA CB C 3.737 -3.754 0.685 1.00 . A A . 10 ALA CB 1 1 8 2157 1 1 10 ALA H H 2.518 -1.614 1.463 1.00 . A A . 10 ALA H 1 1 8 2158 1 1 10 ALA HA H 4.996 -2.839 2.144 1.00 . A A . 10 ALA HA 1 1 8 2159 1 1 10 ALA HB1 H 3.625 -4.516 1.444 1.00 . A A . 10 ALA HB1 1 1 8 2160 1 1 10 ALA HB2 H 4.346 -4.136 -0.121 1.00 . A A . 10 ALA HB2 1 1 8 2161 1 1 10 ALA HB3 H 2.765 -3.479 0.304 1.00 . A A . 10 ALA HB3 1 1 8 2162 1 1 10 ALA N N 3.448 -1.570 1.766 1.00 . A A . 10 ALA N 1 1 8 2163 1 1 10 ALA O O 6.517 -2.237 0.229 1.00 . A A . 10 ALA O 1 1 8 2164 1 1 11 VAL C C 6.901 0.330 -0.577 1.00 . A A . 11 VAL C 1 1 8 2165 1 1 11 VAL CA C 5.722 -0.206 -1.370 1.00 . A A . 11 VAL CA 1 1 8 2166 1 1 11 VAL CB C 5.008 0.945 -2.095 1.00 . A A . 11 VAL CB 1 1 8 2167 1 1 11 VAL CG1 C 5.969 1.656 -3.032 1.00 . A A . 11 VAL CG1 1 1 8 2168 1 1 11 VAL CG2 C 3.796 0.420 -2.846 1.00 . A A . 11 VAL CG2 1 1 8 2169 1 1 11 VAL H H 3.915 -0.625 -0.341 1.00 . A A . 11 VAL H 1 1 8 2170 1 1 11 VAL HA H 6.080 -0.922 -2.096 1.00 . A A . 11 VAL HA 1 1 8 2171 1 1 11 VAL HB H 4.668 1.654 -1.355 1.00 . A A . 11 VAL HB 1 1 8 2172 1 1 11 VAL HG11 H 6.985 1.410 -2.756 1.00 . A A . 11 VAL HG11 1 1 8 2173 1 1 11 VAL HG12 H 5.823 2.723 -2.956 1.00 . A A . 11 VAL HG12 1 1 8 2174 1 1 11 VAL HG13 H 5.785 1.336 -4.047 1.00 . A A . 11 VAL HG13 1 1 8 2175 1 1 11 VAL HG21 H 2.973 1.106 -2.725 1.00 . A A . 11 VAL HG21 1 1 8 2176 1 1 11 VAL HG22 H 3.522 -0.547 -2.450 1.00 . A A . 11 VAL HG22 1 1 8 2177 1 1 11 VAL HG23 H 4.037 0.326 -3.895 1.00 . A A . 11 VAL HG23 1 1 8 2178 1 1 11 VAL N N 4.851 -0.904 -0.446 1.00 . A A . 11 VAL N 1 1 8 2179 1 1 11 VAL O O 8.030 0.383 -1.061 1.00 . A A . 11 VAL O 1 1 8 2180 1 1 12 LEU C C 8.767 0.100 1.618 1.00 . A A . 12 LEU C 1 1 8 2181 1 1 12 LEU CA C 7.639 1.113 1.611 1.00 . A A . 12 LEU CA 1 1 8 2182 1 1 12 LEU CB C 7.040 1.188 3.010 1.00 . A A . 12 LEU CB 1 1 8 2183 1 1 12 LEU CD1 C 5.509 2.302 4.654 1.00 . A A . 12 LEU CD1 1 1 8 2184 1 1 12 LEU CD2 C 6.592 3.649 2.847 1.00 . A A . 12 LEU CD2 1 1 8 2185 1 1 12 LEU CG C 6.004 2.296 3.216 1.00 . A A . 12 LEU CG 1 1 8 2186 1 1 12 LEU H H 5.705 0.539 1.011 1.00 . A A . 12 LEU H 1 1 8 2187 1 1 12 LEU HA H 8.001 2.081 1.302 1.00 . A A . 12 LEU HA 1 1 8 2188 1 1 12 LEU HB2 H 6.566 0.228 3.217 1.00 . A A . 12 LEU HB2 1 1 8 2189 1 1 12 LEU HB3 H 7.841 1.335 3.718 1.00 . A A . 12 LEU HB3 1 1 8 2190 1 1 12 LEU HD11 H 6.335 2.103 5.320 1.00 . A A . 12 LEU HD11 1 1 8 2191 1 1 12 LEU HD12 H 4.754 1.541 4.778 1.00 . A A . 12 LEU HD12 1 1 8 2192 1 1 12 LEU HD13 H 5.087 3.270 4.884 1.00 . A A . 12 LEU HD13 1 1 8 2193 1 1 12 LEU HD21 H 7.664 3.622 2.970 1.00 . A A . 12 LEU HD21 1 1 8 2194 1 1 12 LEU HD22 H 6.175 4.410 3.489 1.00 . A A . 12 LEU HD22 1 1 8 2195 1 1 12 LEU HD23 H 6.354 3.876 1.817 1.00 . A A . 12 LEU HD23 1 1 8 2196 1 1 12 LEU HG H 5.156 2.111 2.572 1.00 . A A . 12 LEU HG 1 1 8 2197 1 1 12 LEU N N 6.621 0.657 0.683 1.00 . A A . 12 LEU N 1 1 8 2198 1 1 12 LEU O O 9.945 0.438 1.733 1.00 . A A . 12 LEU O 1 1 8 2199 1 1 13 LYS C C 9.972 -2.352 0.099 1.00 . A A . 13 LYS C 1 1 8 2200 1 1 13 LYS CA C 9.283 -2.276 1.450 1.00 . A A . 13 LYS CA 1 1 8 2201 1 1 13 LYS CB C 8.521 -3.574 1.704 1.00 . A A . 13 LYS CB 1 1 8 2202 1 1 13 LYS CD C 9.015 -3.985 4.135 1.00 . A A . 13 LYS CD 1 1 8 2203 1 1 13 LYS CE C 9.300 -2.782 5.021 1.00 . A A . 13 LYS CE 1 1 8 2204 1 1 13 LYS CG C 7.940 -3.678 3.105 1.00 . A A . 13 LYS CG 1 1 8 2205 1 1 13 LYS H H 7.399 -1.332 1.379 1.00 . A A . 13 LYS H 1 1 8 2206 1 1 13 LYS HA H 10.012 -2.131 2.225 1.00 . A A . 13 LYS HA 1 1 8 2207 1 1 13 LYS HB2 H 7.709 -3.638 0.992 1.00 . A A . 13 LYS HB2 1 1 8 2208 1 1 13 LYS HB3 H 9.190 -4.407 1.549 1.00 . A A . 13 LYS HB3 1 1 8 2209 1 1 13 LYS HD2 H 8.683 -4.804 4.754 1.00 . A A . 13 LYS HD2 1 1 8 2210 1 1 13 LYS HD3 H 9.923 -4.266 3.622 1.00 . A A . 13 LYS HD3 1 1 8 2211 1 1 13 LYS HE2 H 10.032 -3.062 5.763 1.00 . A A . 13 LYS HE2 1 1 8 2212 1 1 13 LYS HE3 H 9.695 -1.985 4.407 1.00 . A A . 13 LYS HE3 1 1 8 2213 1 1 13 LYS HG2 H 7.468 -2.741 3.358 1.00 . A A . 13 LYS HG2 1 1 8 2214 1 1 13 LYS HG3 H 7.204 -4.469 3.119 1.00 . A A . 13 LYS HG3 1 1 8 2215 1 1 13 LYS HZ1 H 7.613 -1.556 5.147 1.00 . A A . 13 LYS HZ1 1 1 8 2216 1 1 13 LYS HZ2 H 8.317 -1.908 6.644 1.00 . A A . 13 LYS HZ2 1 1 8 2217 1 1 13 LYS HZ3 H 7.402 -3.084 5.843 1.00 . A A . 13 LYS HZ3 1 1 8 2218 1 1 13 LYS N N 8.363 -1.155 1.477 1.00 . A A . 13 LYS N 1 1 8 2219 1 1 13 LYS NZ N 8.072 -2.299 5.712 1.00 . A A . 13 LYS NZ 1 1 8 2220 1 1 13 LYS O O 11.163 -2.650 0.001 1.00 . A A . 13 LYS O 1 1 8 2221 1 1 14 VAL C C 10.502 -0.856 -2.609 1.00 . A A . 14 VAL C 1 1 8 2222 1 1 14 VAL CA C 9.678 -2.104 -2.299 1.00 . A A . 14 VAL CA 1 1 8 2223 1 1 14 VAL CB C 8.479 -2.227 -3.268 1.00 . A A . 14 VAL CB 1 1 8 2224 1 1 14 VAL CG1 C 8.649 -1.356 -4.508 1.00 . A A . 14 VAL CG1 1 1 8 2225 1 1 14 VAL CG2 C 8.264 -3.680 -3.662 1.00 . A A . 14 VAL CG2 1 1 8 2226 1 1 14 VAL H H 8.263 -1.849 -0.779 1.00 . A A . 14 VAL H 1 1 8 2227 1 1 14 VAL HA H 10.294 -2.971 -2.407 1.00 . A A . 14 VAL HA 1 1 8 2228 1 1 14 VAL HB H 7.596 -1.892 -2.737 1.00 . A A . 14 VAL HB 1 1 8 2229 1 1 14 VAL HG11 H 8.680 -0.317 -4.217 1.00 . A A . 14 VAL HG11 1 1 8 2230 1 1 14 VAL HG12 H 7.816 -1.516 -5.178 1.00 . A A . 14 VAL HG12 1 1 8 2231 1 1 14 VAL HG13 H 9.569 -1.617 -5.009 1.00 . A A . 14 VAL HG13 1 1 8 2232 1 1 14 VAL HG21 H 7.416 -3.752 -4.326 1.00 . A A . 14 VAL HG21 1 1 8 2233 1 1 14 VAL HG22 H 8.079 -4.269 -2.775 1.00 . A A . 14 VAL HG22 1 1 8 2234 1 1 14 VAL HG23 H 9.147 -4.051 -4.162 1.00 . A A . 14 VAL HG23 1 1 8 2235 1 1 14 VAL N N 9.196 -2.078 -0.938 1.00 . A A . 14 VAL N 1 1 8 2236 1 1 14 VAL O O 11.130 -0.749 -3.662 1.00 . A A . 14 VAL O 1 1 8 2237 1 1 15 LEU C C 12.660 1.183 -1.373 1.00 . A A . 15 LEU C 1 1 8 2238 1 1 15 LEU CA C 11.208 1.335 -1.815 1.00 . A A . 15 LEU CA 1 1 8 2239 1 1 15 LEU CB C 10.508 2.411 -0.987 1.00 . A A . 15 LEU CB 1 1 8 2240 1 1 15 LEU CD1 C 8.811 4.231 -1.293 1.00 . A A . 15 LEU CD1 1 1 8 2241 1 1 15 LEU CD2 C 11.246 4.737 -1.558 1.00 . A A . 15 LEU CD2 1 1 8 2242 1 1 15 LEU CG C 10.158 3.691 -1.748 1.00 . A A . 15 LEU CG 1 1 8 2243 1 1 15 LEU H H 9.961 -0.068 -0.863 1.00 . A A . 15 LEU H 1 1 8 2244 1 1 15 LEU HA H 11.185 1.621 -2.856 1.00 . A A . 15 LEU HA 1 1 8 2245 1 1 15 LEU HB2 H 9.592 1.982 -0.596 1.00 . A A . 15 LEU HB2 1 1 8 2246 1 1 15 LEU HB3 H 11.146 2.672 -0.156 1.00 . A A . 15 LEU HB3 1 1 8 2247 1 1 15 LEU HD11 H 8.100 3.421 -1.233 1.00 . A A . 15 LEU HD11 1 1 8 2248 1 1 15 LEU HD12 H 8.460 4.966 -2.003 1.00 . A A . 15 LEU HD12 1 1 8 2249 1 1 15 LEU HD13 H 8.917 4.691 -0.322 1.00 . A A . 15 LEU HD13 1 1 8 2250 1 1 15 LEU HD21 H 10.946 5.659 -2.035 1.00 . A A . 15 LEU HD21 1 1 8 2251 1 1 15 LEU HD22 H 12.166 4.385 -2.002 1.00 . A A . 15 LEU HD22 1 1 8 2252 1 1 15 LEU HD23 H 11.399 4.910 -0.503 1.00 . A A . 15 LEU HD23 1 1 8 2253 1 1 15 LEU HG H 10.088 3.467 -2.802 1.00 . A A . 15 LEU HG 1 1 8 2254 1 1 15 LEU N N 10.484 0.084 -1.674 1.00 . A A . 15 LEU N 1 1 8 2255 1 1 15 LEU O O 12.898 1.073 -0.151 1.00 . A A . 15 LEU O 1 1 8 2256 1 1 15 LEU OXT O 13.548 1.173 -2.252 1.00 . A A . 15 LEU OXT 1 1 9 2257 1 1 1 LYS C C -6.652 1.733 4.384 1.00 . A A . 1 LYS C 1 1 9 2258 1 1 1 LYS CA C -6.229 3.188 4.498 1.00 . A A . 1 LYS CA 1 1 9 2259 1 1 1 LYS CB C -7.069 3.904 5.567 1.00 . A A . 1 LYS CB 1 1 9 2260 1 1 1 LYS CD C -8.273 6.000 6.267 1.00 . A A . 1 LYS CD 1 1 9 2261 1 1 1 LYS CE C -9.683 6.489 5.983 1.00 . A A . 1 LYS CE 1 1 9 2262 1 1 1 LYS CG C -7.709 5.204 5.101 1.00 . A A . 1 LYS CG 1 1 9 2263 1 1 1 LYS H1 H -5.881 4.815 3.283 1.00 . A A . 1 LYS H1 1 1 9 2264 1 1 1 LYS H2 H -7.382 4.031 3.010 1.00 . A A . 1 LYS H2 1 1 9 2265 1 1 1 LYS H3 H -5.924 3.312 2.464 1.00 . A A . 1 LYS H3 1 1 9 2266 1 1 1 LYS HA H -5.202 3.213 4.784 1.00 . A A . 1 LYS HA 1 1 9 2267 1 1 1 LYS HB2 H -7.858 3.241 5.892 1.00 . A A . 1 LYS HB2 1 1 9 2268 1 1 1 LYS HB3 H -6.434 4.127 6.413 1.00 . A A . 1 LYS HB3 1 1 9 2269 1 1 1 LYS HD2 H -8.292 5.372 7.145 1.00 . A A . 1 LYS HD2 1 1 9 2270 1 1 1 LYS HD3 H -7.636 6.854 6.447 1.00 . A A . 1 LYS HD3 1 1 9 2271 1 1 1 LYS HE2 H -9.853 6.461 4.917 1.00 . A A . 1 LYS HE2 1 1 9 2272 1 1 1 LYS HE3 H -10.385 5.831 6.474 1.00 . A A . 1 LYS HE3 1 1 9 2273 1 1 1 LYS HG2 H -6.962 5.800 4.598 1.00 . A A . 1 LYS HG2 1 1 9 2274 1 1 1 LYS HG3 H -8.509 4.971 4.413 1.00 . A A . 1 LYS HG3 1 1 9 2275 1 1 1 LYS HZ1 H -10.917 8.085 6.525 1.00 . A A . 1 LYS HZ1 1 1 9 2276 1 1 1 LYS HZ2 H -9.455 8.559 5.821 1.00 . A A . 1 LYS HZ2 1 1 9 2277 1 1 1 LYS HZ3 H -9.480 7.995 7.416 1.00 . A A . 1 LYS HZ3 1 1 9 2278 1 1 1 LYS N N -6.367 3.901 3.197 1.00 . A A . 1 LYS N 1 1 9 2279 1 1 1 LYS NZ N -9.899 7.879 6.471 1.00 . A A . 1 LYS NZ 1 1 9 2280 1 1 1 LYS O O -6.284 0.899 5.210 1.00 . A A . 1 LYS O 1 1 9 2281 1 1 2 TRP C C -7.109 -0.969 2.557 1.00 . A A . 2 TRP C 1 1 9 2282 1 1 2 TRP CA C -8.014 0.115 3.196 1.00 . A A . 2 TRP CA 1 1 9 2283 1 1 2 TRP CB C -9.372 0.182 2.508 1.00 . A A . 2 TRP CB 1 1 9 2284 1 1 2 TRP CD1 C -10.644 2.210 1.759 1.00 . A A . 2 TRP CD1 1 1 9 2285 1 1 2 TRP CD2 C -8.561 2.114 1.100 1.00 . A A . 2 TRP CD2 1 1 9 2286 1 1 2 TRP CE2 C -9.100 3.281 0.569 1.00 . A A . 2 TRP CE2 1 1 9 2287 1 1 2 TRP CE3 C -7.258 1.786 0.876 1.00 . A A . 2 TRP CE3 1 1 9 2288 1 1 2 TRP CG C -9.558 1.451 1.801 1.00 . A A . 2 TRP CG 1 1 9 2289 1 1 2 TRP CH2 C -7.026 3.804 -0.413 1.00 . A A . 2 TRP CH2 1 1 9 2290 1 1 2 TRP CZ2 C -8.338 4.151 -0.204 1.00 . A A . 2 TRP CZ2 1 1 9 2291 1 1 2 TRP CZ3 C -6.492 2.622 0.137 1.00 . A A . 2 TRP CZ3 1 1 9 2292 1 1 2 TRP H H -7.764 2.173 2.813 1.00 . A A . 2 TRP H 1 1 9 2293 1 1 2 TRP HA H -8.185 -0.189 4.150 1.00 . A A . 2 TRP HA 1 1 9 2294 1 1 2 TRP HB2 H -9.455 -0.610 1.793 1.00 . A A . 2 TRP HB2 1 1 9 2295 1 1 2 TRP HB3 H -10.151 0.090 3.245 1.00 . A A . 2 TRP HB3 1 1 9 2296 1 1 2 TRP HD1 H -11.543 1.948 2.251 1.00 . A A . 2 TRP HD1 1 1 9 2297 1 1 2 TRP HE1 H -11.049 4.021 0.776 1.00 . A A . 2 TRP HE1 1 1 9 2298 1 1 2 TRP HE3 H -6.839 0.881 1.322 1.00 . A A . 2 TRP HE3 1 1 9 2299 1 1 2 TRP HH2 H -6.379 4.442 -0.997 1.00 . A A . 2 TRP HH2 1 1 9 2300 1 1 2 TRP HZ2 H -8.746 5.057 -0.626 1.00 . A A . 2 TRP HZ2 1 1 9 2301 1 1 2 TRP HZ3 H -5.474 2.370 -0.021 1.00 . A A . 2 TRP HZ3 1 1 9 2302 1 1 2 TRP N N -7.468 1.451 3.389 1.00 . A A . 2 TRP N 1 1 9 2303 1 1 2 TRP NE1 N -10.407 3.323 0.983 1.00 . A A . 2 TRP NE1 1 1 9 2304 1 1 2 TRP O O -6.218 -1.493 3.225 1.00 . A A . 2 TRP O 1 1 9 2305 1 1 3 LYS C C -5.457 -1.948 -0.135 1.00 . A A . 3 LYS C 1 1 9 2306 1 1 3 LYS CA C -6.637 -2.446 0.644 1.00 . A A . 3 LYS CA 1 1 9 2307 1 1 3 LYS CB C -7.558 -3.270 -0.258 1.00 . A A . 3 LYS CB 1 1 9 2308 1 1 3 LYS CD C -7.632 -5.187 -1.881 1.00 . A A . 3 LYS CD 1 1 9 2309 1 1 3 LYS CE C -6.827 -4.815 -3.115 1.00 . A A . 3 LYS CE 1 1 9 2310 1 1 3 LYS CG C -6.998 -4.638 -0.612 1.00 . A A . 3 LYS CG 1 1 9 2311 1 1 3 LYS H H -8.114 -0.951 0.809 1.00 . A A . 3 LYS H 1 1 9 2312 1 1 3 LYS HA H -6.268 -3.064 1.417 1.00 . A A . 3 LYS HA 1 1 9 2313 1 1 3 LYS HB2 H -8.502 -3.411 0.245 1.00 . A A . 3 LYS HB2 1 1 9 2314 1 1 3 LYS HB3 H -7.726 -2.725 -1.174 1.00 . A A . 3 LYS HB3 1 1 9 2315 1 1 3 LYS HD2 H -7.684 -6.263 -1.809 1.00 . A A . 3 LYS HD2 1 1 9 2316 1 1 3 LYS HD3 H -8.630 -4.783 -1.976 1.00 . A A . 3 LYS HD3 1 1 9 2317 1 1 3 LYS HE2 H -7.327 -5.205 -3.988 1.00 . A A . 3 LYS HE2 1 1 9 2318 1 1 3 LYS HE3 H -6.775 -3.738 -3.183 1.00 . A A . 3 LYS HE3 1 1 9 2319 1 1 3 LYS HG2 H -5.932 -4.553 -0.764 1.00 . A A . 3 LYS HG2 1 1 9 2320 1 1 3 LYS HG3 H -7.194 -5.319 0.202 1.00 . A A . 3 LYS HG3 1 1 9 2321 1 1 3 LYS HZ1 H -5.429 -6.243 -2.507 1.00 . A A . 3 LYS HZ1 1 1 9 2322 1 1 3 LYS HZ2 H -4.801 -4.677 -2.619 1.00 . A A . 3 LYS HZ2 1 1 9 2323 1 1 3 LYS HZ3 H -5.104 -5.568 -4.025 1.00 . A A . 3 LYS HZ3 1 1 9 2324 1 1 3 LYS N N -7.384 -1.362 1.295 1.00 . A A . 3 LYS N 1 1 9 2325 1 1 3 LYS NZ N -5.443 -5.364 -3.063 1.00 . A A . 3 LYS NZ 1 1 9 2326 1 1 3 LYS O O -4.579 -2.704 -0.544 1.00 . A A . 3 LYS O 1 1 9 2327 1 1 4 LEU C C -3.370 0.484 0.094 1.00 . A A . 4 LEU C 1 1 9 2328 1 1 4 LEU CA C -4.327 -0.033 -0.955 1.00 . A A . 4 LEU CA 1 1 9 2329 1 1 4 LEU CB C -4.793 1.101 -1.820 1.00 . A A . 4 LEU CB 1 1 9 2330 1 1 4 LEU CD1 C -5.359 -0.453 -3.708 1.00 . A A . 4 LEU CD1 1 1 9 2331 1 1 4 LEU CD2 C -5.368 2.021 -4.078 1.00 . A A . 4 LEU CD2 1 1 9 2332 1 1 4 LEU CG C -4.710 0.871 -3.331 1.00 . A A . 4 LEU CG 1 1 9 2333 1 1 4 LEU H H -6.130 -0.150 0.107 1.00 . A A . 4 LEU H 1 1 9 2334 1 1 4 LEU HA H -3.830 -0.769 -1.565 1.00 . A A . 4 LEU HA 1 1 9 2335 1 1 4 LEU HB2 H -5.814 1.307 -1.562 1.00 . A A . 4 LEU HB2 1 1 9 2336 1 1 4 LEU HB3 H -4.185 1.950 -1.568 1.00 . A A . 4 LEU HB3 1 1 9 2337 1 1 4 LEU HD11 H -5.899 -0.338 -4.637 1.00 . A A . 4 LEU HD11 1 1 9 2338 1 1 4 LEU HD12 H -6.042 -0.754 -2.929 1.00 . A A . 4 LEU HD12 1 1 9 2339 1 1 4 LEU HD13 H -4.595 -1.207 -3.828 1.00 . A A . 4 LEU HD13 1 1 9 2340 1 1 4 LEU HD21 H -6.289 2.292 -3.584 1.00 . A A . 4 LEU HD21 1 1 9 2341 1 1 4 LEU HD22 H -5.581 1.717 -5.092 1.00 . A A . 4 LEU HD22 1 1 9 2342 1 1 4 LEU HD23 H -4.702 2.871 -4.090 1.00 . A A . 4 LEU HD23 1 1 9 2343 1 1 4 LEU HG H -3.672 0.832 -3.626 1.00 . A A . 4 LEU HG 1 1 9 2344 1 1 4 LEU N N -5.422 -0.674 -0.286 1.00 . A A . 4 LEU N 1 1 9 2345 1 1 4 LEU O O -2.169 0.561 -0.133 1.00 . A A . 4 LEU O 1 1 9 2346 1 1 5 PHE C C -2.099 0.097 2.678 1.00 . A A . 5 PHE C 1 1 9 2347 1 1 5 PHE CA C -3.070 1.205 2.386 1.00 . A A . 5 PHE CA 1 1 9 2348 1 1 5 PHE CB C -3.926 1.480 3.604 1.00 . A A . 5 PHE CB 1 1 9 2349 1 1 5 PHE CD1 C -2.846 0.547 5.669 1.00 . A A . 5 PHE CD1 1 1 9 2350 1 1 5 PHE CD2 C -2.655 2.883 5.240 1.00 . A A . 5 PHE CD2 1 1 9 2351 1 1 5 PHE CE1 C -2.095 0.693 6.821 1.00 . A A . 5 PHE CE1 1 1 9 2352 1 1 5 PHE CE2 C -1.907 3.038 6.392 1.00 . A A . 5 PHE CE2 1 1 9 2353 1 1 5 PHE CG C -3.133 1.641 4.869 1.00 . A A . 5 PHE CG 1 1 9 2354 1 1 5 PHE CZ C -1.626 1.941 7.183 1.00 . A A . 5 PHE CZ 1 1 9 2355 1 1 5 PHE H H -4.870 0.626 1.444 1.00 . A A . 5 PHE H 1 1 9 2356 1 1 5 PHE HA H -2.537 2.096 2.098 1.00 . A A . 5 PHE HA 1 1 9 2357 1 1 5 PHE HB2 H -4.467 2.387 3.430 1.00 . A A . 5 PHE HB2 1 1 9 2358 1 1 5 PHE HB3 H -4.625 0.662 3.738 1.00 . A A . 5 PHE HB3 1 1 9 2359 1 1 5 PHE HD1 H -3.215 -0.428 5.387 1.00 . A A . 5 PHE HD1 1 1 9 2360 1 1 5 PHE HD2 H -2.873 3.738 4.618 1.00 . A A . 5 PHE HD2 1 1 9 2361 1 1 5 PHE HE1 H -1.878 -0.166 7.437 1.00 . A A . 5 PHE HE1 1 1 9 2362 1 1 5 PHE HE2 H -1.541 4.015 6.672 1.00 . A A . 5 PHE HE2 1 1 9 2363 1 1 5 PHE HZ H -1.039 2.059 8.081 1.00 . A A . 5 PHE HZ 1 1 9 2364 1 1 5 PHE N N -3.904 0.769 1.287 1.00 . A A . 5 PHE N 1 1 9 2365 1 1 5 PHE O O -0.997 0.300 3.185 1.00 . A A . 5 PHE O 1 1 9 2366 1 1 6 LYS C C -0.864 -2.425 1.250 1.00 . A A . 6 LYS C 1 1 9 2367 1 1 6 LYS CA C -1.779 -2.274 2.451 1.00 . A A . 6 LYS CA 1 1 9 2368 1 1 6 LYS CB C -2.710 -3.476 2.615 1.00 . A A . 6 LYS CB 1 1 9 2369 1 1 6 LYS CD C -3.327 -5.478 1.227 1.00 . A A . 6 LYS CD 1 1 9 2370 1 1 6 LYS CE C -3.737 -5.956 -0.158 1.00 . A A . 6 LYS CE 1 1 9 2371 1 1 6 LYS CG C -3.341 -3.960 1.321 1.00 . A A . 6 LYS CG 1 1 9 2372 1 1 6 LYS H H -3.416 -1.137 1.882 1.00 . A A . 6 LYS H 1 1 9 2373 1 1 6 LYS HA H -1.189 -2.162 3.334 1.00 . A A . 6 LYS HA 1 1 9 2374 1 1 6 LYS HB2 H -2.156 -4.292 3.050 1.00 . A A . 6 LYS HB2 1 1 9 2375 1 1 6 LYS HB3 H -3.508 -3.192 3.287 1.00 . A A . 6 LYS HB3 1 1 9 2376 1 1 6 LYS HD2 H -2.329 -5.833 1.437 1.00 . A A . 6 LYS HD2 1 1 9 2377 1 1 6 LYS HD3 H -4.015 -5.881 1.955 1.00 . A A . 6 LYS HD3 1 1 9 2378 1 1 6 LYS HE2 H -4.743 -6.345 -0.106 1.00 . A A . 6 LYS HE2 1 1 9 2379 1 1 6 LYS HE3 H -3.712 -5.116 -0.837 1.00 . A A . 6 LYS HE3 1 1 9 2380 1 1 6 LYS HG2 H -4.366 -3.617 1.291 1.00 . A A . 6 LYS HG2 1 1 9 2381 1 1 6 LYS HG3 H -2.795 -3.548 0.483 1.00 . A A . 6 LYS HG3 1 1 9 2382 1 1 6 LYS HZ1 H -2.150 -6.617 -1.344 1.00 . A A . 6 LYS HZ1 1 1 9 2383 1 1 6 LYS HZ2 H -3.384 -7.758 -1.153 1.00 . A A . 6 LYS HZ2 1 1 9 2384 1 1 6 LYS HZ3 H -2.309 -7.456 0.116 1.00 . A A . 6 LYS HZ3 1 1 9 2385 1 1 6 LYS N N -2.543 -1.082 2.300 1.00 . A A . 6 LYS N 1 1 9 2386 1 1 6 LYS NZ N -2.832 -7.021 -0.670 1.00 . A A . 6 LYS NZ 1 1 9 2387 1 1 6 LYS O O 0.215 -3.010 1.351 1.00 . A A . 6 LYS O 1 1 9 2388 1 1 7 LYS C C 0.453 -0.715 -1.147 1.00 . A A . 7 LYS C 1 1 9 2389 1 1 7 LYS CA C -0.458 -1.918 -1.081 1.00 . A A . 7 LYS CA 1 1 9 2390 1 1 7 LYS CB C -1.311 -2.051 -2.347 1.00 . A A . 7 LYS CB 1 1 9 2391 1 1 7 LYS CD C -0.963 -0.392 -4.199 1.00 . A A . 7 LYS CD 1 1 9 2392 1 1 7 LYS CE C -1.438 0.913 -4.818 1.00 . A A . 7 LYS CE 1 1 9 2393 1 1 7 LYS CG C -1.741 -0.725 -2.935 1.00 . A A . 7 LYS CG 1 1 9 2394 1 1 7 LYS H H -2.149 -1.371 0.075 1.00 . A A . 7 LYS H 1 1 9 2395 1 1 7 LYS HA H 0.161 -2.766 -0.996 1.00 . A A . 7 LYS HA 1 1 9 2396 1 1 7 LYS HB2 H -0.743 -2.586 -3.094 1.00 . A A . 7 LYS HB2 1 1 9 2397 1 1 7 LYS HB3 H -2.198 -2.620 -2.109 1.00 . A A . 7 LYS HB3 1 1 9 2398 1 1 7 LYS HD2 H 0.083 -0.301 -3.953 1.00 . A A . 7 LYS HD2 1 1 9 2399 1 1 7 LYS HD3 H -1.098 -1.190 -4.914 1.00 . A A . 7 LYS HD3 1 1 9 2400 1 1 7 LYS HE2 H -2.297 0.709 -5.441 1.00 . A A . 7 LYS HE2 1 1 9 2401 1 1 7 LYS HE3 H -1.722 1.590 -4.026 1.00 . A A . 7 LYS HE3 1 1 9 2402 1 1 7 LYS HG2 H -2.790 -0.774 -3.172 1.00 . A A . 7 LYS HG2 1 1 9 2403 1 1 7 LYS HG3 H -1.567 0.044 -2.202 1.00 . A A . 7 LYS HG3 1 1 9 2404 1 1 7 LYS HZ1 H -0.361 1.123 -6.596 1.00 . A A . 7 LYS HZ1 1 1 9 2405 1 1 7 LYS HZ2 H 0.551 1.423 -5.203 1.00 . A A . 7 LYS HZ2 1 1 9 2406 1 1 7 LYS HZ3 H -0.568 2.571 -5.744 1.00 . A A . 7 LYS HZ3 1 1 9 2407 1 1 7 LYS N N -1.281 -1.859 0.108 1.00 . A A . 7 LYS N 1 1 9 2408 1 1 7 LYS NZ N -0.380 1.552 -5.648 1.00 . A A . 7 LYS NZ 1 1 9 2409 1 1 7 LYS O O 1.412 -0.688 -1.920 1.00 . A A . 7 LYS O 1 1 9 2410 1 1 8 ILE C C 2.057 1.360 0.771 1.00 . A A . 8 ILE C 1 1 9 2411 1 1 8 ILE CA C 0.986 1.464 -0.298 1.00 . A A . 8 ILE CA 1 1 9 2412 1 1 8 ILE CB C 0.140 2.741 -0.091 1.00 . A A . 8 ILE CB 1 1 9 2413 1 1 8 ILE CD1 C -1.867 3.933 -1.103 1.00 . A A . 8 ILE CD1 1 1 9 2414 1 1 8 ILE CG1 C -0.663 3.051 -1.354 1.00 . A A . 8 ILE CG1 1 1 9 2415 1 1 8 ILE CG2 C 1.020 3.925 0.286 1.00 . A A . 8 ILE CG2 1 1 9 2416 1 1 8 ILE H H -0.604 0.201 0.296 1.00 . A A . 8 ILE H 1 1 9 2417 1 1 8 ILE HA H 1.466 1.513 -1.248 1.00 . A A . 8 ILE HA 1 1 9 2418 1 1 8 ILE HB H -0.545 2.560 0.724 1.00 . A A . 8 ILE HB 1 1 9 2419 1 1 8 ILE HD11 H -2.767 3.400 -1.373 1.00 . A A . 8 ILE HD11 1 1 9 2420 1 1 8 ILE HD12 H -1.788 4.829 -1.700 1.00 . A A . 8 ILE HD12 1 1 9 2421 1 1 8 ILE HD13 H -1.907 4.199 -0.057 1.00 . A A . 8 ILE HD13 1 1 9 2422 1 1 8 ILE HG12 H -0.026 3.556 -2.064 1.00 . A A . 8 ILE HG12 1 1 9 2423 1 1 8 ILE HG13 H -1.013 2.125 -1.786 1.00 . A A . 8 ILE HG13 1 1 9 2424 1 1 8 ILE HG21 H 1.504 3.724 1.232 1.00 . A A . 8 ILE HG21 1 1 9 2425 1 1 8 ILE HG22 H 0.412 4.812 0.374 1.00 . A A . 8 ILE HG22 1 1 9 2426 1 1 8 ILE HG23 H 1.770 4.076 -0.477 1.00 . A A . 8 ILE HG23 1 1 9 2427 1 1 8 ILE N N 0.167 0.277 -0.318 1.00 . A A . 8 ILE N 1 1 9 2428 1 1 8 ILE O O 3.169 1.867 0.615 1.00 . A A . 8 ILE O 1 1 9 2429 1 1 9 GLY C C 3.714 -0.522 2.555 1.00 . A A . 9 GLY C 1 1 9 2430 1 1 9 GLY CA C 2.653 0.489 2.926 1.00 . A A . 9 GLY CA 1 1 9 2431 1 1 9 GLY H H 0.821 0.296 1.888 1.00 . A A . 9 GLY H 1 1 9 2432 1 1 9 GLY HA2 H 3.126 1.433 3.157 1.00 . A A . 9 GLY HA2 1 1 9 2433 1 1 9 GLY HA3 H 2.121 0.138 3.797 1.00 . A A . 9 GLY HA3 1 1 9 2434 1 1 9 GLY N N 1.715 0.682 1.843 1.00 . A A . 9 GLY N 1 1 9 2435 1 1 9 GLY O O 4.862 -0.440 2.995 1.00 . A A . 9 GLY O 1 1 9 2436 1 1 10 ALA C C 5.281 -1.895 0.332 1.00 . A A . 10 ALA C 1 1 9 2437 1 1 10 ALA CA C 4.300 -2.484 1.313 1.00 . A A . 10 ALA CA 1 1 9 2438 1 1 10 ALA CB C 3.620 -3.710 0.733 1.00 . A A . 10 ALA CB 1 1 9 2439 1 1 10 ALA H H 2.429 -1.509 1.383 1.00 . A A . 10 ALA H 1 1 9 2440 1 1 10 ALA HA H 4.850 -2.770 2.199 1.00 . A A . 10 ALA HA 1 1 9 2441 1 1 10 ALA HB1 H 2.679 -3.424 0.289 1.00 . A A . 10 ALA HB1 1 1 9 2442 1 1 10 ALA HB2 H 3.447 -4.430 1.518 1.00 . A A . 10 ALA HB2 1 1 9 2443 1 1 10 ALA HB3 H 4.259 -4.146 -0.022 1.00 . A A . 10 ALA HB3 1 1 9 2444 1 1 10 ALA N N 3.346 -1.482 1.725 1.00 . A A . 10 ALA N 1 1 9 2445 1 1 10 ALA O O 6.461 -2.232 0.359 1.00 . A A . 10 ALA O 1 1 9 2446 1 1 11 VAL C C 6.869 0.261 -0.619 1.00 . A A . 11 VAL C 1 1 9 2447 1 1 11 VAL CA C 5.738 -0.341 -1.435 1.00 . A A . 11 VAL CA 1 1 9 2448 1 1 11 VAL CB C 5.059 0.748 -2.277 1.00 . A A . 11 VAL CB 1 1 9 2449 1 1 11 VAL CG1 C 6.065 1.395 -3.215 1.00 . A A . 11 VAL CG1 1 1 9 2450 1 1 11 VAL CG2 C 3.888 0.163 -3.047 1.00 . A A . 11 VAL CG2 1 1 9 2451 1 1 11 VAL H H 3.877 -0.709 -0.485 1.00 . A A . 11 VAL H 1 1 9 2452 1 1 11 VAL HA H 6.142 -1.104 -2.086 1.00 . A A . 11 VAL HA 1 1 9 2453 1 1 11 VAL HB H 4.681 1.508 -1.610 1.00 . A A . 11 VAL HB 1 1 9 2454 1 1 11 VAL HG11 H 5.895 2.460 -3.248 1.00 . A A . 11 VAL HG11 1 1 9 2455 1 1 11 VAL HG12 H 5.952 0.980 -4.205 1.00 . A A . 11 VAL HG12 1 1 9 2456 1 1 11 VAL HG13 H 7.065 1.201 -2.853 1.00 . A A . 11 VAL HG13 1 1 9 2457 1 1 11 VAL HG21 H 3.080 0.877 -3.070 1.00 . A A . 11 VAL HG21 1 1 9 2458 1 1 11 VAL HG22 H 3.558 -0.743 -2.561 1.00 . A A . 11 VAL HG22 1 1 9 2459 1 1 11 VAL HG23 H 4.199 -0.064 -4.057 1.00 . A A . 11 VAL HG23 1 1 9 2460 1 1 11 VAL N N 4.822 -0.980 -0.511 1.00 . A A . 11 VAL N 1 1 9 2461 1 1 11 VAL O O 8.022 0.291 -1.044 1.00 . A A . 11 VAL O 1 1 9 2462 1 1 12 LEU C C 8.637 0.214 1.637 1.00 . A A . 12 LEU C 1 1 9 2463 1 1 12 LEU CA C 7.485 1.195 1.545 1.00 . A A . 12 LEU CA 1 1 9 2464 1 1 12 LEU CB C 6.827 1.313 2.916 1.00 . A A . 12 LEU CB 1 1 9 2465 1 1 12 LEU CD1 C 7.880 3.415 3.785 1.00 . A A . 12 LEU CD1 1 1 9 2466 1 1 12 LEU CD2 C 7.100 1.656 5.383 1.00 . A A . 12 LEU CD2 1 1 9 2467 1 1 12 LEU CG C 7.703 1.922 4.012 1.00 . A A . 12 LEU CG 1 1 9 2468 1 1 12 LEU H H 5.589 0.564 0.887 1.00 . A A . 12 LEU H 1 1 9 2469 1 1 12 LEU HA H 7.835 2.159 1.209 1.00 . A A . 12 LEU HA 1 1 9 2470 1 1 12 LEU HB2 H 5.935 1.914 2.814 1.00 . A A . 12 LEU HB2 1 1 9 2471 1 1 12 LEU HB3 H 6.535 0.311 3.228 1.00 . A A . 12 LEU HB3 1 1 9 2472 1 1 12 LEU HD11 H 6.934 3.916 3.927 1.00 . A A . 12 LEU HD11 1 1 9 2473 1 1 12 LEU HD12 H 8.232 3.587 2.778 1.00 . A A . 12 LEU HD12 1 1 9 2474 1 1 12 LEU HD13 H 8.601 3.803 4.490 1.00 . A A . 12 LEU HD13 1 1 9 2475 1 1 12 LEU HD21 H 7.891 1.468 6.094 1.00 . A A . 12 LEU HD21 1 1 9 2476 1 1 12 LEU HD22 H 6.450 0.796 5.330 1.00 . A A . 12 LEU HD22 1 1 9 2477 1 1 12 LEU HD23 H 6.531 2.518 5.699 1.00 . A A . 12 LEU HD23 1 1 9 2478 1 1 12 LEU HG H 8.680 1.461 3.980 1.00 . A A . 12 LEU HG 1 1 9 2479 1 1 12 LEU N N 6.519 0.669 0.600 1.00 . A A . 12 LEU N 1 1 9 2480 1 1 12 LEU O O 9.804 0.586 1.754 1.00 . A A . 12 LEU O 1 1 9 2481 1 1 13 LYS C C 9.887 -2.328 0.276 1.00 . A A . 13 LYS C 1 1 9 2482 1 1 13 LYS CA C 9.203 -2.156 1.620 1.00 . A A . 13 LYS CA 1 1 9 2483 1 1 13 LYS CB C 8.466 -3.443 1.979 1.00 . A A . 13 LYS CB 1 1 9 2484 1 1 13 LYS CD C 8.985 -3.436 4.438 1.00 . A A . 13 LYS CD 1 1 9 2485 1 1 13 LYS CE C 8.661 -2.478 5.573 1.00 . A A . 13 LYS CE 1 1 9 2486 1 1 13 LYS CG C 7.889 -3.445 3.385 1.00 . A A . 13 LYS CG 1 1 9 2487 1 1 13 LYS H H 7.305 -1.259 1.457 1.00 . A A . 13 LYS H 1 1 9 2488 1 1 13 LYS HA H 9.932 -1.937 2.377 1.00 . A A . 13 LYS HA 1 1 9 2489 1 1 13 LYS HB2 H 7.654 -3.577 1.276 1.00 . A A . 13 LYS HB2 1 1 9 2490 1 1 13 LYS HB3 H 9.149 -4.273 1.890 1.00 . A A . 13 LYS HB3 1 1 9 2491 1 1 13 LYS HD2 H 9.093 -4.432 4.840 1.00 . A A . 13 LYS HD2 1 1 9 2492 1 1 13 LYS HD3 H 9.913 -3.130 3.976 1.00 . A A . 13 LYS HD3 1 1 9 2493 1 1 13 LYS HE2 H 9.554 -1.931 5.833 1.00 . A A . 13 LYS HE2 1 1 9 2494 1 1 13 LYS HE3 H 7.901 -1.787 5.239 1.00 . A A . 13 LYS HE3 1 1 9 2495 1 1 13 LYS HG2 H 7.273 -2.566 3.512 1.00 . A A . 13 LYS HG2 1 1 9 2496 1 1 13 LYS HG3 H 7.285 -4.331 3.515 1.00 . A A . 13 LYS HG3 1 1 9 2497 1 1 13 LYS HZ1 H 7.401 -2.651 7.231 1.00 . A A . 13 LYS HZ1 1 1 9 2498 1 1 13 LYS HZ2 H 8.938 -3.316 7.467 1.00 . A A . 13 LYS HZ2 1 1 9 2499 1 1 13 LYS HZ3 H 7.801 -4.132 6.517 1.00 . A A . 13 LYS HZ3 1 1 9 2500 1 1 13 LYS N N 8.262 -1.056 1.564 1.00 . A A . 13 LYS N 1 1 9 2501 1 1 13 LYS NZ N 8.166 -3.195 6.781 1.00 . A A . 13 LYS NZ 1 1 9 2502 1 1 13 LYS O O 11.068 -2.664 0.194 1.00 . A A . 13 LYS O 1 1 9 2503 1 1 14 VAL C C 10.422 -1.000 -2.544 1.00 . A A . 14 VAL C 1 1 9 2504 1 1 14 VAL CA C 9.597 -2.220 -2.134 1.00 . A A . 14 VAL CA 1 1 9 2505 1 1 14 VAL CB C 8.402 -2.419 -3.098 1.00 . A A . 14 VAL CB 1 1 9 2506 1 1 14 VAL CG1 C 8.233 -1.240 -4.050 1.00 . A A . 14 VAL CG1 1 1 9 2507 1 1 14 VAL CG2 C 8.551 -3.720 -3.873 1.00 . A A . 14 VAL CG2 1 1 9 2508 1 1 14 VAL H H 8.189 -1.837 -0.637 1.00 . A A . 14 VAL H 1 1 9 2509 1 1 14 VAL HA H 10.215 -3.094 -2.177 1.00 . A A . 14 VAL HA 1 1 9 2510 1 1 14 VAL HB H 7.507 -2.489 -2.492 1.00 . A A . 14 VAL HB 1 1 9 2511 1 1 14 VAL HG11 H 8.240 -0.317 -3.487 1.00 . A A . 14 VAL HG11 1 1 9 2512 1 1 14 VAL HG12 H 7.294 -1.333 -4.574 1.00 . A A . 14 VAL HG12 1 1 9 2513 1 1 14 VAL HG13 H 9.045 -1.232 -4.762 1.00 . A A . 14 VAL HG13 1 1 9 2514 1 1 14 VAL HG21 H 7.585 -4.192 -3.970 1.00 . A A . 14 VAL HG21 1 1 9 2515 1 1 14 VAL HG22 H 9.223 -4.379 -3.344 1.00 . A A . 14 VAL HG22 1 1 9 2516 1 1 14 VAL HG23 H 8.951 -3.510 -4.854 1.00 . A A . 14 VAL HG23 1 1 9 2517 1 1 14 VAL N N 9.116 -2.097 -0.778 1.00 . A A . 14 VAL N 1 1 9 2518 1 1 14 VAL O O 10.964 -0.944 -3.647 1.00 . A A . 14 VAL O 1 1 9 2519 1 1 15 LEU C C 12.576 1.197 -1.179 1.00 . A A . 15 LEU C 1 1 9 2520 1 1 15 LEU CA C 11.230 1.204 -1.899 1.00 . A A . 15 LEU CA 1 1 9 2521 1 1 15 LEU CB C 10.386 2.390 -1.436 1.00 . A A . 15 LEU CB 1 1 9 2522 1 1 15 LEU CD1 C 11.482 4.135 -2.864 1.00 . A A . 15 LEU CD1 1 1 9 2523 1 1 15 LEU CD2 C 9.483 2.895 -3.720 1.00 . A A . 15 LEU CD2 1 1 9 2524 1 1 15 LEU CG C 10.163 3.477 -2.488 1.00 . A A . 15 LEU CG 1 1 9 2525 1 1 15 LEU H H 10.033 -0.131 -0.793 1.00 . A A . 15 LEU H 1 1 9 2526 1 1 15 LEU HA H 11.399 1.286 -2.962 1.00 . A A . 15 LEU HA 1 1 9 2527 1 1 15 LEU HB2 H 9.420 2.009 -1.127 1.00 . A A . 15 LEU HB2 1 1 9 2528 1 1 15 LEU HB3 H 10.867 2.839 -0.580 1.00 . A A . 15 LEU HB3 1 1 9 2529 1 1 15 LEU HD11 H 11.909 4.609 -1.993 1.00 . A A . 15 LEU HD11 1 1 9 2530 1 1 15 LEU HD12 H 11.310 4.876 -3.629 1.00 . A A . 15 LEU HD12 1 1 9 2531 1 1 15 LEU HD13 H 12.164 3.385 -3.237 1.00 . A A . 15 LEU HD13 1 1 9 2532 1 1 15 LEU HD21 H 8.421 3.082 -3.667 1.00 . A A . 15 LEU HD21 1 1 9 2533 1 1 15 LEU HD22 H 9.660 1.830 -3.758 1.00 . A A . 15 LEU HD22 1 1 9 2534 1 1 15 LEU HD23 H 9.888 3.359 -4.607 1.00 . A A . 15 LEU HD23 1 1 9 2535 1 1 15 LEU HG H 9.516 4.240 -2.077 1.00 . A A . 15 LEU HG 1 1 9 2536 1 1 15 LEU N N 10.496 -0.025 -1.647 1.00 . A A . 15 LEU N 1 1 9 2537 1 1 15 LEU O O 13.194 2.276 -1.071 1.00 . A A . 15 LEU O 1 1 9 2538 1 1 15 LEU OXT O 13.001 0.111 -0.731 1.00 . A A . 15 LEU OXT 1 1 10 2539 1 1 1 LYS C C -6.528 1.549 4.564 1.00 . A A . 1 LYS C 1 1 10 2540 1 1 1 LYS CA C -6.195 3.026 4.670 1.00 . A A . 1 LYS CA 1 1 10 2541 1 1 1 LYS CB C -7.093 3.687 5.725 1.00 . A A . 1 LYS CB 1 1 10 2542 1 1 1 LYS CD C -8.509 5.731 5.322 1.00 . A A . 1 LYS CD 1 1 10 2543 1 1 1 LYS CE C -9.040 6.370 4.049 1.00 . A A . 1 LYS CE 1 1 10 2544 1 1 1 LYS CG C -8.421 4.217 5.196 1.00 . A A . 1 LYS CG 1 1 10 2545 1 1 1 LYS H1 H -7.330 3.638 3.055 1.00 . A A . 1 LYS H1 1 1 10 2546 1 1 1 LYS H2 H -5.697 3.284 2.684 1.00 . A A . 1 LYS H2 1 1 10 2547 1 1 1 LYS H3 H -6.097 4.731 3.514 1.00 . A A . 1 LYS H3 1 1 10 2548 1 1 1 LYS HA H -5.180 3.111 4.977 1.00 . A A . 1 LYS HA 1 1 10 2549 1 1 1 LYS HB2 H -7.311 2.957 6.488 1.00 . A A . 1 LYS HB2 1 1 10 2550 1 1 1 LYS HB3 H -6.554 4.508 6.172 1.00 . A A . 1 LYS HB3 1 1 10 2551 1 1 1 LYS HD2 H -9.173 5.976 6.137 1.00 . A A . 1 LYS HD2 1 1 10 2552 1 1 1 LYS HD3 H -7.524 6.123 5.528 1.00 . A A . 1 LYS HD3 1 1 10 2553 1 1 1 LYS HE2 H -8.380 6.121 3.232 1.00 . A A . 1 LYS HE2 1 1 10 2554 1 1 1 LYS HE3 H -10.025 5.976 3.848 1.00 . A A . 1 LYS HE3 1 1 10 2555 1 1 1 LYS HG2 H -8.527 3.944 4.159 1.00 . A A . 1 LYS HG2 1 1 10 2556 1 1 1 LYS HG3 H -9.224 3.774 5.767 1.00 . A A . 1 LYS HG3 1 1 10 2557 1 1 1 LYS HZ1 H -9.953 8.206 3.647 1.00 . A A . 1 LYS HZ1 1 1 10 2558 1 1 1 LYS HZ2 H -8.269 8.294 3.777 1.00 . A A . 1 LYS HZ2 1 1 10 2559 1 1 1 LYS HZ3 H -9.216 8.125 5.169 1.00 . A A . 1 LYS HZ3 1 1 10 2560 1 1 1 LYS N N -6.345 3.733 3.364 1.00 . A A . 1 LYS N 1 1 10 2561 1 1 1 LYS NZ N -9.126 7.852 4.169 1.00 . A A . 1 LYS NZ 1 1 10 2562 1 1 1 LYS O O -6.035 0.729 5.337 1.00 . A A . 1 LYS O 1 1 10 2563 1 1 2 TRP C C -6.965 -1.157 2.767 1.00 . A A . 2 TRP C 1 1 10 2564 1 1 2 TRP CA C -7.888 -0.132 3.473 1.00 . A A . 2 TRP CA 1 1 10 2565 1 1 2 TRP CB C -9.285 -0.143 2.870 1.00 . A A . 2 TRP CB 1 1 10 2566 1 1 2 TRP CD1 C -10.716 1.799 2.188 1.00 . A A . 2 TRP CD1 1 1 10 2567 1 1 2 TRP CD2 C -8.668 1.832 1.424 1.00 . A A . 2 TRP CD2 1 1 10 2568 1 1 2 TRP CE2 C -9.303 2.963 0.926 1.00 . A A . 2 TRP CE2 1 1 10 2569 1 1 2 TRP CE3 C -7.362 1.586 1.133 1.00 . A A . 2 TRP CE3 1 1 10 2570 1 1 2 TRP CG C -9.584 1.109 2.175 1.00 . A A . 2 TRP CG 1 1 10 2571 1 1 2 TRP CH2 C -7.320 3.614 -0.159 1.00 . A A . 2 TRP CH2 1 1 10 2572 1 1 2 TRP CZ2 C -8.639 3.878 0.116 1.00 . A A . 2 TRP CZ2 1 1 10 2573 1 1 2 TRP CZ3 C -6.689 2.468 0.359 1.00 . A A . 2 TRP CZ3 1 1 10 2574 1 1 2 TRP H H -7.802 1.946 3.123 1.00 . A A . 2 TRP H 1 1 10 2575 1 1 2 TRP HA H -7.981 -0.454 4.434 1.00 . A A . 2 TRP HA 1 1 10 2576 1 1 2 TRP HB2 H -9.366 -0.942 2.160 1.00 . A A . 2 TRP HB2 1 1 10 2577 1 1 2 TRP HB3 H -10.012 -0.277 3.652 1.00 . A A . 2 TRP HB3 1 1 10 2578 1 1 2 TRP HD1 H -11.570 1.482 2.726 1.00 . A A . 2 TRP HD1 1 1 10 2579 1 1 2 TRP HE1 H -11.279 3.582 1.235 1.00 . A A . 2 TRP HE1 1 1 10 2580 1 1 2 TRP HE3 H -6.865 0.708 1.553 1.00 . A A . 2 TRP HE3 1 1 10 2581 1 1 2 TRP HH2 H -6.746 4.289 -0.773 1.00 . A A . 2 TRP HH2 1 1 10 2582 1 1 2 TRP HZ2 H -9.123 4.759 -0.281 1.00 . A A . 2 TRP HZ2 1 1 10 2583 1 1 2 TRP HZ3 H -5.669 2.281 0.149 1.00 . A A . 2 TRP HZ3 1 1 10 2584 1 1 2 TRP N N -7.408 1.232 3.647 1.00 . A A . 2 TRP N 1 1 10 2585 1 1 2 TRP NE1 N -10.586 2.925 1.406 1.00 . A A . 2 TRP NE1 1 1 10 2586 1 1 2 TRP O O -6.018 -1.653 3.377 1.00 . A A . 2 TRP O 1 1 10 2587 1 1 3 LYS C C -5.406 -2.010 -0.021 1.00 . A A . 3 LYS C 1 1 10 2588 1 1 3 LYS CA C -6.532 -2.573 0.796 1.00 . A A . 3 LYS CA 1 1 10 2589 1 1 3 LYS CB C -7.465 -3.403 -0.088 1.00 . A A . 3 LYS CB 1 1 10 2590 1 1 3 LYS CD C -7.197 -5.134 -1.889 1.00 . A A . 3 LYS CD 1 1 10 2591 1 1 3 LYS CE C -6.116 -4.611 -2.821 1.00 . A A . 3 LYS CE 1 1 10 2592 1 1 3 LYS CG C -6.909 -4.772 -0.441 1.00 . A A . 3 LYS CG 1 1 10 2593 1 1 3 LYS H H -8.062 -1.151 1.073 1.00 . A A . 3 LYS H 1 1 10 2594 1 1 3 LYS HA H -6.107 -3.199 1.531 1.00 . A A . 3 LYS HA 1 1 10 2595 1 1 3 LYS HB2 H -8.403 -3.542 0.430 1.00 . A A . 3 LYS HB2 1 1 10 2596 1 1 3 LYS HB3 H -7.647 -2.864 -1.006 1.00 . A A . 3 LYS HB3 1 1 10 2597 1 1 3 LYS HD2 H -7.246 -6.209 -1.978 1.00 . A A . 3 LYS HD2 1 1 10 2598 1 1 3 LYS HD3 H -8.146 -4.704 -2.176 1.00 . A A . 3 LYS HD3 1 1 10 2599 1 1 3 LYS HE2 H -5.982 -3.555 -2.641 1.00 . A A . 3 LYS HE2 1 1 10 2600 1 1 3 LYS HE3 H -5.193 -5.132 -2.610 1.00 . A A . 3 LYS HE3 1 1 10 2601 1 1 3 LYS HG2 H -5.840 -4.767 -0.288 1.00 . A A . 3 LYS HG2 1 1 10 2602 1 1 3 LYS HG3 H -7.363 -5.511 0.202 1.00 . A A . 3 LYS HG3 1 1 10 2603 1 1 3 LYS HZ1 H -6.158 -4.004 -4.819 1.00 . A A . 3 LYS HZ1 1 1 10 2604 1 1 3 LYS HZ2 H -7.502 -4.921 -4.352 1.00 . A A . 3 LYS HZ2 1 1 10 2605 1 1 3 LYS HZ3 H -6.013 -5.678 -4.614 1.00 . A A . 3 LYS HZ3 1 1 10 2606 1 1 3 LYS N N -7.287 -1.537 1.510 1.00 . A A . 3 LYS N 1 1 10 2607 1 1 3 LYS NZ N -6.472 -4.818 -4.251 1.00 . A A . 3 LYS NZ 1 1 10 2608 1 1 3 LYS O O -4.523 -2.725 -0.491 1.00 . A A . 3 LYS O 1 1 10 2609 1 1 4 LEU C C -3.387 0.489 0.177 1.00 . A A . 4 LEU C 1 1 10 2610 1 1 4 LEU CA C -4.376 -0.036 -0.837 1.00 . A A . 4 LEU CA 1 1 10 2611 1 1 4 LEU CB C -4.917 1.099 -1.653 1.00 . A A . 4 LEU CB 1 1 10 2612 1 1 4 LEU CD1 C -5.487 -0.296 -3.654 1.00 . A A . 4 LEU CD1 1 1 10 2613 1 1 4 LEU CD2 C -5.303 2.190 -3.876 1.00 . A A . 4 LEU CD2 1 1 10 2614 1 1 4 LEU CG C -4.768 0.953 -3.169 1.00 . A A . 4 LEU CG 1 1 10 2615 1 1 4 LEU H H -6.125 -0.242 0.304 1.00 . A A . 4 LEU H 1 1 10 2616 1 1 4 LEU HA H -3.885 -0.743 -1.487 1.00 . A A . 4 LEU HA 1 1 10 2617 1 1 4 LEU HB2 H -5.960 1.203 -1.417 1.00 . A A . 4 LEU HB2 1 1 10 2618 1 1 4 LEU HB3 H -4.390 1.981 -1.341 1.00 . A A . 4 LEU HB3 1 1 10 2619 1 1 4 LEU HD11 H -4.803 -1.131 -3.645 1.00 . A A . 4 LEU HD11 1 1 10 2620 1 1 4 LEU HD12 H -5.849 -0.138 -4.659 1.00 . A A . 4 LEU HD12 1 1 10 2621 1 1 4 LEU HD13 H -6.321 -0.508 -3.001 1.00 . A A . 4 LEU HD13 1 1 10 2622 1 1 4 LEU HD21 H -4.477 2.824 -4.164 1.00 . A A . 4 LEU HD21 1 1 10 2623 1 1 4 LEU HD22 H -5.957 2.732 -3.209 1.00 . A A . 4 LEU HD22 1 1 10 2624 1 1 4 LEU HD23 H -5.852 1.894 -4.757 1.00 . A A . 4 LEU HD23 1 1 10 2625 1 1 4 LEU HG H -3.720 0.852 -3.414 1.00 . A A . 4 LEU HG 1 1 10 2626 1 1 4 LEU N N -5.420 -0.731 -0.136 1.00 . A A . 4 LEU N 1 1 10 2627 1 1 4 LEU O O -2.202 0.617 -0.108 1.00 . A A . 4 LEU O 1 1 10 2628 1 1 5 PHE C C -1.984 0.075 2.686 1.00 . A A . 5 PHE C 1 1 10 2629 1 1 5 PHE CA C -3.002 1.158 2.474 1.00 . A A . 5 PHE CA 1 1 10 2630 1 1 5 PHE CB C -3.810 1.362 3.736 1.00 . A A . 5 PHE CB 1 1 10 2631 1 1 5 PHE CD1 C -2.569 2.800 5.355 1.00 . A A . 5 PHE CD1 1 1 10 2632 1 1 5 PHE CD2 C -2.554 0.443 5.701 1.00 . A A . 5 PHE CD2 1 1 10 2633 1 1 5 PHE CE1 C -1.774 2.974 6.472 1.00 . A A . 5 PHE CE1 1 1 10 2634 1 1 5 PHE CE2 C -1.760 0.608 6.821 1.00 . A A . 5 PHE CE2 1 1 10 2635 1 1 5 PHE CG C -2.966 1.538 4.961 1.00 . A A . 5 PHE CG 1 1 10 2636 1 1 5 PHE CZ C -1.369 1.876 7.207 1.00 . A A . 5 PHE CZ 1 1 10 2637 1 1 5 PHE H H -4.822 0.541 1.600 1.00 . A A . 5 PHE H 1 1 10 2638 1 1 5 PHE HA H -2.514 2.076 2.192 1.00 . A A . 5 PHE HA 1 1 10 2639 1 1 5 PHE HB2 H -4.404 2.243 3.611 1.00 . A A . 5 PHE HB2 1 1 10 2640 1 1 5 PHE HB3 H -4.460 0.505 3.884 1.00 . A A . 5 PHE HB3 1 1 10 2641 1 1 5 PHE HD1 H -2.885 3.655 4.777 1.00 . A A . 5 PHE HD1 1 1 10 2642 1 1 5 PHE HD2 H -2.859 -0.547 5.397 1.00 . A A . 5 PHE HD2 1 1 10 2643 1 1 5 PHE HE1 H -1.470 3.967 6.770 1.00 . A A . 5 PHE HE1 1 1 10 2644 1 1 5 PHE HE2 H -1.445 -0.253 7.392 1.00 . A A . 5 PHE HE2 1 1 10 2645 1 1 5 PHE HZ H -0.747 2.008 8.080 1.00 . A A . 5 PHE HZ 1 1 10 2646 1 1 5 PHE N N -3.870 0.723 1.402 1.00 . A A . 5 PHE N 1 1 10 2647 1 1 5 PHE O O -0.863 0.301 3.141 1.00 . A A . 5 PHE O 1 1 10 2648 1 1 6 LYS C C -0.752 -2.365 1.123 1.00 . A A . 6 LYS C 1 1 10 2649 1 1 6 LYS CA C -1.604 -2.279 2.376 1.00 . A A . 6 LYS CA 1 1 10 2650 1 1 6 LYS CB C -2.487 -3.512 2.561 1.00 . A A . 6 LYS CB 1 1 10 2651 1 1 6 LYS CD C -3.142 -5.507 1.180 1.00 . A A . 6 LYS CD 1 1 10 2652 1 1 6 LYS CE C -1.716 -6.036 1.162 1.00 . A A . 6 LYS CE 1 1 10 2653 1 1 6 LYS CG C -3.174 -3.990 1.295 1.00 . A A . 6 LYS CG 1 1 10 2654 1 1 6 LYS H H -3.302 -1.179 1.925 1.00 . A A . 6 LYS H 1 1 10 2655 1 1 6 LYS HA H -0.969 -2.170 3.229 1.00 . A A . 6 LYS HA 1 1 10 2656 1 1 6 LYS HB2 H -1.885 -4.320 2.947 1.00 . A A . 6 LYS HB2 1 1 10 2657 1 1 6 LYS HB3 H -3.255 -3.269 3.283 1.00 . A A . 6 LYS HB3 1 1 10 2658 1 1 6 LYS HD2 H -3.660 -5.932 2.027 1.00 . A A . 6 LYS HD2 1 1 10 2659 1 1 6 LYS HD3 H -3.638 -5.801 0.268 1.00 . A A . 6 LYS HD3 1 1 10 2660 1 1 6 LYS HE2 H -1.587 -6.654 0.285 1.00 . A A . 6 LYS HE2 1 1 10 2661 1 1 6 LYS HE3 H -1.034 -5.200 1.116 1.00 . A A . 6 LYS HE3 1 1 10 2662 1 1 6 LYS HG2 H -4.205 -3.664 1.321 1.00 . A A . 6 LYS HG2 1 1 10 2663 1 1 6 LYS HG3 H -2.679 -3.560 0.435 1.00 . A A . 6 LYS HG3 1 1 10 2664 1 1 6 LYS HZ1 H -2.291 -7.148 2.836 1.00 . A A . 6 LYS HZ1 1 1 10 2665 1 1 6 LYS HZ2 H -0.850 -6.285 3.047 1.00 . A A . 6 LYS HZ2 1 1 10 2666 1 1 6 LYS HZ3 H -0.862 -7.692 2.109 1.00 . A A . 6 LYS HZ3 1 1 10 2667 1 1 6 LYS N N -2.411 -1.108 2.300 1.00 . A A . 6 LYS N 1 1 10 2668 1 1 6 LYS NZ N -1.408 -6.846 2.373 1.00 . A A . 6 LYS NZ 1 1 10 2669 1 1 6 LYS O O 0.348 -2.916 1.142 1.00 . A A . 6 LYS O 1 1 10 2670 1 1 7 LYS C C 0.426 -0.566 -1.218 1.00 . A A . 7 LYS C 1 1 10 2671 1 1 7 LYS CA C -0.502 -1.750 -1.207 1.00 . A A . 7 LYS CA 1 1 10 2672 1 1 7 LYS CB C -1.436 -1.721 -2.418 1.00 . A A . 7 LYS CB 1 1 10 2673 1 1 7 LYS CD C -1.186 -0.709 -4.712 1.00 . A A . 7 LYS CD 1 1 10 2674 1 1 7 LYS CE C -0.512 0.626 -4.435 1.00 . A A . 7 LYS CE 1 1 10 2675 1 1 7 LYS CG C -0.707 -1.790 -3.754 1.00 . A A . 7 LYS CG 1 1 10 2676 1 1 7 LYS H H -2.132 -1.307 0.070 1.00 . A A . 7 LYS H 1 1 10 2677 1 1 7 LYS HA H 0.100 -2.624 -1.238 1.00 . A A . 7 LYS HA 1 1 10 2678 1 1 7 LYS HB2 H -2.109 -2.564 -2.357 1.00 . A A . 7 LYS HB2 1 1 10 2679 1 1 7 LYS HB3 H -2.012 -0.809 -2.392 1.00 . A A . 7 LYS HB3 1 1 10 2680 1 1 7 LYS HD2 H -0.957 -1.012 -5.724 1.00 . A A . 7 LYS HD2 1 1 10 2681 1 1 7 LYS HD3 H -2.254 -0.593 -4.603 1.00 . A A . 7 LYS HD3 1 1 10 2682 1 1 7 LYS HE2 H -1.173 1.419 -4.751 1.00 . A A . 7 LYS HE2 1 1 10 2683 1 1 7 LYS HE3 H -0.332 0.710 -3.374 1.00 . A A . 7 LYS HE3 1 1 10 2684 1 1 7 LYS HG2 H 0.350 -1.661 -3.584 1.00 . A A . 7 LYS HG2 1 1 10 2685 1 1 7 LYS HG3 H -0.887 -2.758 -4.199 1.00 . A A . 7 LYS HG3 1 1 10 2686 1 1 7 LYS HZ1 H 1.314 -0.134 -5.109 1.00 . A A . 7 LYS HZ1 1 1 10 2687 1 1 7 LYS HZ2 H 1.355 1.515 -4.734 1.00 . A A . 7 LYS HZ2 1 1 10 2688 1 1 7 LYS HZ3 H 0.611 0.990 -6.159 1.00 . A A . 7 LYS HZ3 1 1 10 2689 1 1 7 LYS N N -1.252 -1.770 0.031 1.00 . A A . 7 LYS N 1 1 10 2690 1 1 7 LYS NZ N 0.783 0.759 -5.159 1.00 . A A . 7 LYS NZ 1 1 10 2691 1 1 7 LYS O O 1.377 -0.510 -2.000 1.00 . A A . 7 LYS O 1 1 10 2692 1 1 8 ILE C C 2.055 1.389 0.821 1.00 . A A . 8 ILE C 1 1 10 2693 1 1 8 ILE CA C 0.992 1.551 -0.249 1.00 . A A . 8 ILE CA 1 1 10 2694 1 1 8 ILE CB C 0.151 2.818 0.018 1.00 . A A . 8 ILE CB 1 1 10 2695 1 1 8 ILE CD1 C -1.730 4.213 -0.962 1.00 . A A . 8 ILE CD1 1 1 10 2696 1 1 8 ILE CG1 C -0.650 3.189 -1.228 1.00 . A A . 8 ILE CG1 1 1 10 2697 1 1 8 ILE CG2 C 1.035 3.978 0.450 1.00 . A A . 8 ILE CG2 1 1 10 2698 1 1 8 ILE H H -0.604 0.272 0.280 1.00 . A A . 8 ILE H 1 1 10 2699 1 1 8 ILE HA H 1.476 1.646 -1.194 1.00 . A A . 8 ILE HA 1 1 10 2700 1 1 8 ILE HB H -0.538 2.601 0.823 1.00 . A A . 8 ILE HB 1 1 10 2701 1 1 8 ILE HD11 H -1.465 4.800 -0.096 1.00 . A A . 8 ILE HD11 1 1 10 2702 1 1 8 ILE HD12 H -2.667 3.706 -0.780 1.00 . A A . 8 ILE HD12 1 1 10 2703 1 1 8 ILE HD13 H -1.832 4.861 -1.820 1.00 . A A . 8 ILE HD13 1 1 10 2704 1 1 8 ILE HG12 H 0.021 3.598 -1.969 1.00 . A A . 8 ILE HG12 1 1 10 2705 1 1 8 ILE HG13 H -1.121 2.301 -1.624 1.00 . A A . 8 ILE HG13 1 1 10 2706 1 1 8 ILE HG21 H 1.537 3.721 1.371 1.00 . A A . 8 ILE HG21 1 1 10 2707 1 1 8 ILE HG22 H 0.426 4.857 0.604 1.00 . A A . 8 ILE HG22 1 1 10 2708 1 1 8 ILE HG23 H 1.768 4.178 -0.317 1.00 . A A . 8 ILE HG23 1 1 10 2709 1 1 8 ILE N N 0.162 0.376 -0.333 1.00 . A A . 8 ILE N 1 1 10 2710 1 1 8 ILE O O 3.161 1.920 0.711 1.00 . A A . 8 ILE O 1 1 10 2711 1 1 9 GLY C C 3.691 -0.627 2.536 1.00 . A A . 9 GLY C 1 1 10 2712 1 1 9 GLY CA C 2.640 0.390 2.926 1.00 . A A . 9 GLY CA 1 1 10 2713 1 1 9 GLY H H 0.821 0.241 1.855 1.00 . A A . 9 GLY H 1 1 10 2714 1 1 9 GLY HA2 H 3.128 1.317 3.190 1.00 . A A . 9 GLY HA2 1 1 10 2715 1 1 9 GLY HA3 H 2.095 0.021 3.780 1.00 . A A . 9 GLY HA3 1 1 10 2716 1 1 9 GLY N N 1.712 0.639 1.844 1.00 . A A . 9 GLY N 1 1 10 2717 1 1 9 GLY O O 4.820 -0.603 3.030 1.00 . A A . 9 GLY O 1 1 10 2718 1 1 10 ALA C C 5.279 -1.949 0.244 1.00 . A A . 10 ALA C 1 1 10 2719 1 1 10 ALA CA C 4.286 -2.532 1.218 1.00 . A A . 10 ALA CA 1 1 10 2720 1 1 10 ALA CB C 3.604 -3.756 0.636 1.00 . A A . 10 ALA CB 1 1 10 2721 1 1 10 ALA H H 2.435 -1.519 1.257 1.00 . A A . 10 ALA H 1 1 10 2722 1 1 10 ALA HA H 4.831 -2.822 2.104 1.00 . A A . 10 ALA HA 1 1 10 2723 1 1 10 ALA HB1 H 4.270 -4.228 -0.073 1.00 . A A . 10 ALA HB1 1 1 10 2724 1 1 10 ALA HB2 H 2.695 -3.458 0.136 1.00 . A A . 10 ALA HB2 1 1 10 2725 1 1 10 ALA HB3 H 3.371 -4.451 1.429 1.00 . A A . 10 ALA HB3 1 1 10 2726 1 1 10 ALA N N 3.335 -1.531 1.639 1.00 . A A . 10 ALA N 1 1 10 2727 1 1 10 ALA O O 6.466 -2.248 0.324 1.00 . A A . 10 ALA O 1 1 10 2728 1 1 11 VAL C C 6.836 0.218 -0.723 1.00 . A A . 11 VAL C 1 1 10 2729 1 1 11 VAL CA C 5.761 -0.452 -1.561 1.00 . A A . 11 VAL CA 1 1 10 2730 1 1 11 VAL CB C 5.088 0.578 -2.483 1.00 . A A . 11 VAL CB 1 1 10 2731 1 1 11 VAL CG1 C 6.121 1.244 -3.381 1.00 . A A . 11 VAL CG1 1 1 10 2732 1 1 11 VAL CG2 C 3.996 -0.086 -3.305 1.00 . A A . 11 VAL CG2 1 1 10 2733 1 1 11 VAL H H 3.872 -0.832 -0.666 1.00 . A A . 11 VAL H 1 1 10 2734 1 1 11 VAL HA H 6.214 -1.232 -2.156 1.00 . A A . 11 VAL HA 1 1 10 2735 1 1 11 VAL HB H 4.635 1.340 -1.868 1.00 . A A . 11 VAL HB 1 1 10 2736 1 1 11 VAL HG11 H 7.114 0.984 -3.038 1.00 . A A . 11 VAL HG11 1 1 10 2737 1 1 11 VAL HG12 H 5.996 2.315 -3.341 1.00 . A A . 11 VAL HG12 1 1 10 2738 1 1 11 VAL HG13 H 5.990 0.902 -4.397 1.00 . A A . 11 VAL HG13 1 1 10 2739 1 1 11 VAL HG21 H 4.417 -0.460 -4.226 1.00 . A A . 11 VAL HG21 1 1 10 2740 1 1 11 VAL HG22 H 3.224 0.635 -3.527 1.00 . A A . 11 VAL HG22 1 1 10 2741 1 1 11 VAL HG23 H 3.574 -0.906 -2.742 1.00 . A A . 11 VAL HG23 1 1 10 2742 1 1 11 VAL N N 4.824 -1.079 -0.649 1.00 . A A . 11 VAL N 1 1 10 2743 1 1 11 VAL O O 8.007 0.268 -1.095 1.00 . A A . 11 VAL O 1 1 10 2744 1 1 12 LEU C C 8.478 0.328 1.660 1.00 . A A . 12 LEU C 1 1 10 2745 1 1 12 LEU CA C 7.304 1.264 1.432 1.00 . A A . 12 LEU CA 1 1 10 2746 1 1 12 LEU CB C 6.545 1.433 2.744 1.00 . A A . 12 LEU CB 1 1 10 2747 1 1 12 LEU CD1 C 8.141 1.083 4.649 1.00 . A A . 12 LEU CD1 1 1 10 2748 1 1 12 LEU CD2 C 8.211 3.221 3.350 1.00 . A A . 12 LEU CD2 1 1 10 2749 1 1 12 LEU CG C 7.318 2.107 3.883 1.00 . A A . 12 LEU CG 1 1 10 2750 1 1 12 LEU H H 5.472 0.540 0.699 1.00 . A A . 12 LEU H 1 1 10 2751 1 1 12 LEU HA H 7.647 2.220 1.070 1.00 . A A . 12 LEU HA 1 1 10 2752 1 1 12 LEU HB2 H 5.653 2.008 2.547 1.00 . A A . 12 LEU HB2 1 1 10 2753 1 1 12 LEU HB3 H 6.246 0.438 3.076 1.00 . A A . 12 LEU HB3 1 1 10 2754 1 1 12 LEU HD11 H 7.678 0.112 4.563 1.00 . A A . 12 LEU HD11 1 1 10 2755 1 1 12 LEU HD12 H 8.190 1.368 5.689 1.00 . A A . 12 LEU HD12 1 1 10 2756 1 1 12 LEU HD13 H 9.139 1.045 4.239 1.00 . A A . 12 LEU HD13 1 1 10 2757 1 1 12 LEU HD21 H 9.161 2.806 3.045 1.00 . A A . 12 LEU HD21 1 1 10 2758 1 1 12 LEU HD22 H 8.371 3.955 4.124 1.00 . A A . 12 LEU HD22 1 1 10 2759 1 1 12 LEU HD23 H 7.735 3.689 2.501 1.00 . A A . 12 LEU HD23 1 1 10 2760 1 1 12 LEU HG H 6.612 2.547 4.573 1.00 . A A . 12 LEU HG 1 1 10 2761 1 1 12 LEU N N 6.413 0.665 0.456 1.00 . A A . 12 LEU N 1 1 10 2762 1 1 12 LEU O O 9.608 0.748 1.903 1.00 . A A . 12 LEU O 1 1 10 2763 1 1 13 LYS C C 9.884 -2.276 0.459 1.00 . A A . 13 LYS C 1 1 10 2764 1 1 13 LYS CA C 9.133 -2.022 1.750 1.00 . A A . 13 LYS CA 1 1 10 2765 1 1 13 LYS CB C 8.408 -3.300 2.163 1.00 . A A . 13 LYS CB 1 1 10 2766 1 1 13 LYS CD C 8.168 -4.437 4.397 1.00 . A A . 13 LYS CD 1 1 10 2767 1 1 13 LYS CE C 6.951 -5.052 5.073 1.00 . A A . 13 LYS CE 1 1 10 2768 1 1 13 LYS CG C 7.788 -3.231 3.550 1.00 . A A . 13 LYS CG 1 1 10 2769 1 1 13 LYS H H 7.236 -1.200 1.364 1.00 . A A . 13 LYS H 1 1 10 2770 1 1 13 LYS HA H 9.816 -1.729 2.524 1.00 . A A . 13 LYS HA 1 1 10 2771 1 1 13 LYS HB2 H 7.620 -3.489 1.444 1.00 . A A . 13 LYS HB2 1 1 10 2772 1 1 13 LYS HB3 H 9.109 -4.121 2.140 1.00 . A A . 13 LYS HB3 1 1 10 2773 1 1 13 LYS HD2 H 8.627 -5.181 3.762 1.00 . A A . 13 LYS HD2 1 1 10 2774 1 1 13 LYS HD3 H 8.871 -4.125 5.155 1.00 . A A . 13 LYS HD3 1 1 10 2775 1 1 13 LYS HE2 H 6.068 -4.518 4.757 1.00 . A A . 13 LYS HE2 1 1 10 2776 1 1 13 LYS HE3 H 6.872 -6.086 4.769 1.00 . A A . 13 LYS HE3 1 1 10 2777 1 1 13 LYS HG2 H 8.135 -2.335 4.043 1.00 . A A . 13 LYS HG2 1 1 10 2778 1 1 13 LYS HG3 H 6.713 -3.195 3.449 1.00 . A A . 13 LYS HG3 1 1 10 2779 1 1 13 LYS HZ1 H 6.663 -5.859 6.978 1.00 . A A . 13 LYS HZ1 1 1 10 2780 1 1 13 LYS HZ2 H 6.507 -4.176 6.916 1.00 . A A . 13 LYS HZ2 1 1 10 2781 1 1 13 LYS HZ3 H 8.041 -4.886 6.847 1.00 . A A . 13 LYS HZ3 1 1 10 2782 1 1 13 LYS N N 8.165 -0.958 1.569 1.00 . A A . 13 LYS N 1 1 10 2783 1 1 13 LYS NZ N 7.047 -4.989 6.558 1.00 . A A . 13 LYS NZ 1 1 10 2784 1 1 13 LYS O O 11.073 -2.598 0.455 1.00 . A A . 13 LYS O 1 1 10 2785 1 1 14 VAL C C 10.451 -1.123 -2.458 1.00 . A A . 14 VAL C 1 1 10 2786 1 1 14 VAL CA C 9.686 -2.352 -1.959 1.00 . A A . 14 VAL CA 1 1 10 2787 1 1 14 VAL CB C 8.524 -2.690 -2.911 1.00 . A A . 14 VAL CB 1 1 10 2788 1 1 14 VAL CG1 C 8.945 -2.615 -4.373 1.00 . A A . 14 VAL CG1 1 1 10 2789 1 1 14 VAL CG2 C 7.964 -4.066 -2.586 1.00 . A A . 14 VAL CG2 1 1 10 2790 1 1 14 VAL H H 8.219 -1.887 -0.551 1.00 . A A . 14 VAL H 1 1 10 2791 1 1 14 VAL HA H 10.346 -3.195 -1.915 1.00 . A A . 14 VAL HA 1 1 10 2792 1 1 14 VAL HB H 7.742 -1.965 -2.736 1.00 . A A . 14 VAL HB 1 1 10 2793 1 1 14 VAL HG11 H 8.314 -3.264 -4.961 1.00 . A A . 14 VAL HG11 1 1 10 2794 1 1 14 VAL HG12 H 9.974 -2.930 -4.467 1.00 . A A . 14 VAL HG12 1 1 10 2795 1 1 14 VAL HG13 H 8.845 -1.599 -4.725 1.00 . A A . 14 VAL HG13 1 1 10 2796 1 1 14 VAL HG21 H 7.190 -3.972 -1.839 1.00 . A A . 14 VAL HG21 1 1 10 2797 1 1 14 VAL HG22 H 8.754 -4.696 -2.207 1.00 . A A . 14 VAL HG22 1 1 10 2798 1 1 14 VAL HG23 H 7.548 -4.505 -3.480 1.00 . A A . 14 VAL HG23 1 1 10 2799 1 1 14 VAL N N 9.157 -2.137 -0.636 1.00 . A A . 14 VAL N 1 1 10 2800 1 1 14 VAL O O 10.923 -1.089 -3.594 1.00 . A A . 14 VAL O 1 1 10 2801 1 1 15 LEU C C 12.558 1.258 -1.160 1.00 . A A . 15 LEU C 1 1 10 2802 1 1 15 LEU CA C 11.258 1.117 -1.948 1.00 . A A . 15 LEU CA 1 1 10 2803 1 1 15 LEU CB C 10.342 2.306 -1.672 1.00 . A A . 15 LEU CB 1 1 10 2804 1 1 15 LEU CD1 C 9.625 2.891 -4.002 1.00 . A A . 15 LEU CD1 1 1 10 2805 1 1 15 LEU CD2 C 9.689 4.660 -2.237 1.00 . A A . 15 LEU CD2 1 1 10 2806 1 1 15 LEU CG C 10.340 3.387 -2.755 1.00 . A A . 15 LEU CG 1 1 10 2807 1 1 15 LEU H H 10.167 -0.195 -0.711 1.00 . A A . 15 LEU H 1 1 10 2808 1 1 15 LEU HA H 11.489 1.088 -3.003 1.00 . A A . 15 LEU HA 1 1 10 2809 1 1 15 LEU HB2 H 9.333 1.928 -1.559 1.00 . A A . 15 LEU HB2 1 1 10 2810 1 1 15 LEU HB3 H 10.643 2.759 -0.739 1.00 . A A . 15 LEU HB3 1 1 10 2811 1 1 15 LEU HD11 H 10.287 2.252 -4.567 1.00 . A A . 15 LEU HD11 1 1 10 2812 1 1 15 LEU HD12 H 9.335 3.736 -4.610 1.00 . A A . 15 LEU HD12 1 1 10 2813 1 1 15 LEU HD13 H 8.744 2.336 -3.715 1.00 . A A . 15 LEU HD13 1 1 10 2814 1 1 15 LEU HD21 H 10.246 5.031 -1.389 1.00 . A A . 15 LEU HD21 1 1 10 2815 1 1 15 LEU HD22 H 8.673 4.449 -1.938 1.00 . A A . 15 LEU HD22 1 1 10 2816 1 1 15 LEU HD23 H 9.687 5.405 -3.019 1.00 . A A . 15 LEU HD23 1 1 10 2817 1 1 15 LEU HG H 11.361 3.618 -3.025 1.00 . A A . 15 LEU HG 1 1 10 2818 1 1 15 LEU N N 10.565 -0.115 -1.600 1.00 . A A . 15 LEU N 1 1 10 2819 1 1 15 LEU O O 13.631 0.995 -1.742 1.00 . A A . 15 LEU O 1 1 10 2820 1 1 15 LEU OXT O 12.491 1.631 0.029 1.00 . A A . 15 LEU OXT 1 1 11 2821 1 1 1 LYS C C -6.740 2.066 4.105 1.00 . A A . 1 LYS C 1 1 11 2822 1 1 1 LYS CA C -6.449 3.567 4.046 1.00 . A A . 1 LYS CA 1 1 11 2823 1 1 1 LYS CB C -6.142 4.000 2.606 1.00 . A A . 1 LYS CB 1 1 11 2824 1 1 1 LYS CD C -7.640 6.016 2.727 1.00 . A A . 1 LYS CD 1 1 11 2825 1 1 1 LYS CE C -9.029 5.912 3.339 1.00 . A A . 1 LYS CE 1 1 11 2826 1 1 1 LYS CG C -7.278 4.762 1.946 1.00 . A A . 1 LYS CG 1 1 11 2827 1 1 1 LYS H1 H -5.064 3.115 5.507 1.00 . A A . 1 LYS H1 1 1 11 2828 1 1 1 LYS H2 H -5.613 4.738 5.521 1.00 . A A . 1 LYS H2 1 1 11 2829 1 1 1 LYS H3 H -4.506 4.218 4.321 1.00 . A A . 1 LYS H3 1 1 11 2830 1 1 1 LYS HA H -7.323 4.100 4.391 1.00 . A A . 1 LYS HA 1 1 11 2831 1 1 1 LYS HB2 H -5.268 4.634 2.611 1.00 . A A . 1 LYS HB2 1 1 11 2832 1 1 1 LYS HB3 H -5.935 3.120 2.015 1.00 . A A . 1 LYS HB3 1 1 11 2833 1 1 1 LYS HD2 H -6.920 6.156 3.521 1.00 . A A . 1 LYS HD2 1 1 11 2834 1 1 1 LYS HD3 H -7.613 6.865 2.061 1.00 . A A . 1 LYS HD3 1 1 11 2835 1 1 1 LYS HE2 H -9.154 4.922 3.749 1.00 . A A . 1 LYS HE2 1 1 11 2836 1 1 1 LYS HE3 H -9.114 6.642 4.130 1.00 . A A . 1 LYS HE3 1 1 11 2837 1 1 1 LYS HG2 H -6.975 5.048 0.950 1.00 . A A . 1 LYS HG2 1 1 11 2838 1 1 1 LYS HG3 H -8.144 4.119 1.889 1.00 . A A . 1 LYS HG3 1 1 11 2839 1 1 1 LYS HZ1 H -10.987 6.410 2.810 1.00 . A A . 1 LYS HZ1 1 1 11 2840 1 1 1 LYS HZ2 H -10.254 5.305 1.759 1.00 . A A . 1 LYS HZ2 1 1 11 2841 1 1 1 LYS HZ3 H -9.822 6.940 1.702 1.00 . A A . 1 LYS HZ3 1 1 11 2842 1 1 1 LYS N N -5.305 3.943 4.927 1.00 . A A . 1 LYS N 1 1 11 2843 1 1 1 LYS NZ N -10.098 6.160 2.333 1.00 . A A . 1 LYS NZ 1 1 11 2844 1 1 1 LYS O O -6.217 1.354 4.963 1.00 . A A . 1 LYS O 1 1 11 2845 1 1 2 TRP C C -7.109 -0.877 2.662 1.00 . A A . 2 TRP C 1 1 11 2846 1 1 2 TRP CA C -8.066 0.211 3.212 1.00 . A A . 2 TRP CA 1 1 11 2847 1 1 2 TRP CB C -9.442 0.085 2.576 1.00 . A A . 2 TRP CB 1 1 11 2848 1 1 2 TRP CD1 C -10.894 1.845 1.555 1.00 . A A . 2 TRP CD1 1 1 11 2849 1 1 2 TRP CD2 C -8.814 1.850 0.883 1.00 . A A . 2 TRP CD2 1 1 11 2850 1 1 2 TRP CE2 C -9.462 2.868 0.198 1.00 . A A . 2 TRP CE2 1 1 11 2851 1 1 2 TRP CE3 C -7.486 1.618 0.690 1.00 . A A . 2 TRP CE3 1 1 11 2852 1 1 2 TRP CG C -9.741 1.210 1.693 1.00 . A A . 2 TRP CG 1 1 11 2853 1 1 2 TRP CH2 C -7.452 3.437 -0.884 1.00 . A A . 2 TRP CH2 1 1 11 2854 1 1 2 TRP CZ2 C -8.791 3.683 -0.709 1.00 . A A . 2 TRP CZ2 1 1 11 2855 1 1 2 TRP CZ3 C -6.809 2.406 -0.177 1.00 . A A . 2 TRP CZ3 1 1 11 2856 1 1 2 TRP H H -8.052 2.242 2.619 1.00 . A A . 2 TRP H 1 1 11 2857 1 1 2 TRP HA H -8.190 0.002 4.200 1.00 . A A . 2 TRP HA 1 1 11 2858 1 1 2 TRP HB2 H -9.485 -0.811 1.990 1.00 . A A . 2 TRP HB2 1 1 11 2859 1 1 2 TRP HB3 H -10.190 0.052 3.346 1.00 . A A . 2 TRP HB3 1 1 11 2860 1 1 2 TRP HD1 H -11.762 1.574 2.096 1.00 . A A . 2 TRP HD1 1 1 11 2861 1 1 2 TRP HE1 H -11.470 3.441 0.325 1.00 . A A . 2 TRP HE1 1 1 11 2862 1 1 2 TRP HE3 H -6.978 0.828 1.253 1.00 . A A . 2 TRP HE3 1 1 11 2863 1 1 2 TRP HH2 H -6.873 4.040 -1.567 1.00 . A A . 2 TRP HH2 1 1 11 2864 1 1 2 TRP HZ2 H -9.286 4.474 -1.251 1.00 . A A . 2 TRP HZ2 1 1 11 2865 1 1 2 TRP HZ3 H -5.773 2.235 -0.310 1.00 . A A . 2 TRP HZ3 1 1 11 2866 1 1 2 TRP N N -7.625 1.609 3.227 1.00 . A A . 2 TRP N 1 1 11 2867 1 1 2 TRP NE1 N -10.765 2.847 0.621 1.00 . A A . 2 TRP NE1 1 1 11 2868 1 1 2 TRP O O -6.180 -1.287 3.358 1.00 . A A . 2 TRP O 1 1 11 2869 1 1 3 LYS C C -5.460 -2.053 0.048 1.00 . A A . 3 LYS C 1 1 11 2870 1 1 3 LYS CA C -6.607 -2.519 0.892 1.00 . A A . 3 LYS CA 1 1 11 2871 1 1 3 LYS CB C -7.508 -3.462 0.091 1.00 . A A . 3 LYS CB 1 1 11 2872 1 1 3 LYS CD C -9.344 -5.147 0.411 1.00 . A A . 3 LYS CD 1 1 11 2873 1 1 3 LYS CE C -10.136 -5.783 1.542 1.00 . A A . 3 LYS CE 1 1 11 2874 1 1 3 LYS CG C -7.983 -4.668 0.885 1.00 . A A . 3 LYS CG 1 1 11 2875 1 1 3 LYS H H -8.154 -1.089 0.950 1.00 . A A . 3 LYS H 1 1 11 2876 1 1 3 LYS HA H -6.202 -3.046 1.713 1.00 . A A . 3 LYS HA 1 1 11 2877 1 1 3 LYS HB2 H -8.376 -2.915 -0.244 1.00 . A A . 3 LYS HB2 1 1 11 2878 1 1 3 LYS HB3 H -6.964 -3.818 -0.772 1.00 . A A . 3 LYS HB3 1 1 11 2879 1 1 3 LYS HD2 H -9.899 -4.302 0.028 1.00 . A A . 3 LYS HD2 1 1 11 2880 1 1 3 LYS HD3 H -9.207 -5.875 -0.374 1.00 . A A . 3 LYS HD3 1 1 11 2881 1 1 3 LYS HE2 H -9.446 -6.136 2.294 1.00 . A A . 3 LYS HE2 1 1 11 2882 1 1 3 LYS HE3 H -10.786 -5.036 1.974 1.00 . A A . 3 LYS HE3 1 1 11 2883 1 1 3 LYS HG2 H -7.269 -5.470 0.764 1.00 . A A . 3 LYS HG2 1 1 11 2884 1 1 3 LYS HG3 H -8.048 -4.397 1.929 1.00 . A A . 3 LYS HG3 1 1 11 2885 1 1 3 LYS HZ1 H -11.829 -6.580 0.613 1.00 . A A . 3 LYS HZ1 1 1 11 2886 1 1 3 LYS HZ2 H -11.224 -7.537 1.869 1.00 . A A . 3 LYS HZ2 1 1 11 2887 1 1 3 LYS HZ3 H -10.425 -7.495 0.379 1.00 . A A . 3 LYS HZ3 1 1 11 2888 1 1 3 LYS N N -7.390 -1.411 1.451 1.00 . A A . 3 LYS N 1 1 11 2889 1 1 3 LYS NZ N -10.961 -6.929 1.068 1.00 . A A . 3 LYS NZ 1 1 11 2890 1 1 3 LYS O O -4.577 -2.821 -0.327 1.00 . A A . 3 LYS O 1 1 11 2891 1 1 4 LEU C C -3.423 0.432 0.054 1.00 . A A . 4 LEU C 1 1 11 2892 1 1 4 LEU CA C -4.387 -0.184 -0.933 1.00 . A A . 4 LEU CA 1 1 11 2893 1 1 4 LEU CB C -4.894 0.857 -1.883 1.00 . A A . 4 LEU CB 1 1 11 2894 1 1 4 LEU CD1 C -6.000 0.462 -4.102 1.00 . A A . 4 LEU CD1 1 1 11 2895 1 1 4 LEU CD2 C -3.789 1.628 -4.002 1.00 . A A . 4 LEU CD2 1 1 11 2896 1 1 4 LEU CG C -4.670 0.561 -3.368 1.00 . A A . 4 LEU CG 1 1 11 2897 1 1 4 LEU H H -6.161 -0.253 0.178 1.00 . A A . 4 LEU H 1 1 11 2898 1 1 4 LEU HA H -3.884 -0.960 -1.490 1.00 . A A . 4 LEU HA 1 1 11 2899 1 1 4 LEU HB2 H -5.948 0.969 -1.708 1.00 . A A . 4 LEU HB2 1 1 11 2900 1 1 4 LEU HB3 H -4.390 1.770 -1.635 1.00 . A A . 4 LEU HB3 1 1 11 2901 1 1 4 LEU HD11 H -5.823 0.452 -5.167 1.00 . A A . 4 LEU HD11 1 1 11 2902 1 1 4 LEU HD12 H -6.614 1.313 -3.848 1.00 . A A . 4 LEU HD12 1 1 11 2903 1 1 4 LEU HD13 H -6.505 -0.447 -3.811 1.00 . A A . 4 LEU HD13 1 1 11 2904 1 1 4 LEU HD21 H -2.801 1.581 -3.571 1.00 . A A . 4 LEU HD21 1 1 11 2905 1 1 4 LEU HD22 H -4.216 2.603 -3.817 1.00 . A A . 4 LEU HD22 1 1 11 2906 1 1 4 LEU HD23 H -3.728 1.459 -5.066 1.00 . A A . 4 LEU HD23 1 1 11 2907 1 1 4 LEU HG H -4.167 -0.390 -3.465 1.00 . A A . 4 LEU HG 1 1 11 2908 1 1 4 LEU N N -5.454 -0.793 -0.195 1.00 . A A . 4 LEU N 1 1 11 2909 1 1 4 LEU O O -2.229 0.523 -0.206 1.00 . A A . 4 LEU O 1 1 11 2910 1 1 5 PHE C C -2.088 0.258 2.615 1.00 . A A . 5 PHE C 1 1 11 2911 1 1 5 PHE CA C -3.095 1.321 2.285 1.00 . A A . 5 PHE CA 1 1 11 2912 1 1 5 PHE CB C -3.926 1.641 3.514 1.00 . A A . 5 PHE CB 1 1 11 2913 1 1 5 PHE CD1 C -2.491 2.960 5.092 1.00 . A A . 5 PHE CD1 1 1 11 2914 1 1 5 PHE CD2 C -2.974 0.690 5.634 1.00 . A A . 5 PHE CD2 1 1 11 2915 1 1 5 PHE CE1 C -1.732 3.076 6.242 1.00 . A A . 5 PHE CE1 1 1 11 2916 1 1 5 PHE CE2 C -2.218 0.800 6.786 1.00 . A A . 5 PHE CE2 1 1 11 2917 1 1 5 PHE CG C -3.118 1.768 4.776 1.00 . A A . 5 PHE CG 1 1 11 2918 1 1 5 PHE CZ C -1.596 1.994 7.089 1.00 . A A . 5 PHE CZ 1 1 11 2919 1 1 5 PHE H H -4.898 0.632 1.425 1.00 . A A . 5 PHE H 1 1 11 2920 1 1 5 PHE HA H -2.596 2.206 1.926 1.00 . A A . 5 PHE HA 1 1 11 2921 1 1 5 PHE HB2 H -4.430 2.570 3.348 1.00 . A A . 5 PHE HB2 1 1 11 2922 1 1 5 PHE HB3 H -4.659 0.854 3.656 1.00 . A A . 5 PHE HB3 1 1 11 2923 1 1 5 PHE HD1 H -2.596 3.806 4.429 1.00 . A A . 5 PHE HD1 1 1 11 2924 1 1 5 PHE HD2 H -3.461 -0.246 5.396 1.00 . A A . 5 PHE HD2 1 1 11 2925 1 1 5 PHE HE1 H -1.246 4.011 6.477 1.00 . A A . 5 PHE HE1 1 1 11 2926 1 1 5 PHE HE2 H -2.114 -0.048 7.447 1.00 . A A . 5 PHE HE2 1 1 11 2927 1 1 5 PHE HZ H -1.003 2.082 7.988 1.00 . A A . 5 PHE HZ 1 1 11 2928 1 1 5 PHE N N -3.940 0.788 1.236 1.00 . A A . 5 PHE N 1 1 11 2929 1 1 5 PHE O O -0.969 0.520 3.056 1.00 . A A . 5 PHE O 1 1 11 2930 1 1 6 LYS C C -0.849 -2.325 1.338 1.00 . A A . 6 LYS C 1 1 11 2931 1 1 6 LYS CA C -1.731 -2.116 2.556 1.00 . A A . 6 LYS CA 1 1 11 2932 1 1 6 LYS CB C -2.632 -3.321 2.832 1.00 . A A . 6 LYS CB 1 1 11 2933 1 1 6 LYS CD C -3.267 -5.420 1.605 1.00 . A A . 6 LYS CD 1 1 11 2934 1 1 6 LYS CE C -4.383 -5.998 2.462 1.00 . A A . 6 LYS CE 1 1 11 2935 1 1 6 LYS CG C -3.299 -3.900 1.599 1.00 . A A . 6 LYS CG 1 1 11 2936 1 1 6 LYS H H -3.415 -1.053 1.977 1.00 . A A . 6 LYS H 1 1 11 2937 1 1 6 LYS HA H -1.118 -1.931 3.411 1.00 . A A . 6 LYS HA 1 1 11 2938 1 1 6 LYS HB2 H -2.046 -4.097 3.298 1.00 . A A . 6 LYS HB2 1 1 11 2939 1 1 6 LYS HB3 H -3.410 -3.007 3.514 1.00 . A A . 6 LYS HB3 1 1 11 2940 1 1 6 LYS HD2 H -3.383 -5.777 0.593 1.00 . A A . 6 LYS HD2 1 1 11 2941 1 1 6 LYS HD3 H -2.316 -5.749 1.999 1.00 . A A . 6 LYS HD3 1 1 11 2942 1 1 6 LYS HE2 H -5.153 -5.251 2.579 1.00 . A A . 6 LYS HE2 1 1 11 2943 1 1 6 LYS HE3 H -4.792 -6.862 1.960 1.00 . A A . 6 LYS HE3 1 1 11 2944 1 1 6 LYS HG2 H -4.329 -3.571 1.581 1.00 . A A . 6 LYS HG2 1 1 11 2945 1 1 6 LYS HG3 H -2.788 -3.539 0.716 1.00 . A A . 6 LYS HG3 1 1 11 2946 1 1 6 LYS HZ1 H -4.647 -6.277 4.515 1.00 . A A . 6 LYS HZ1 1 1 11 2947 1 1 6 LYS HZ2 H -3.077 -5.825 4.083 1.00 . A A . 6 LYS HZ2 1 1 11 2948 1 1 6 LYS HZ3 H -3.609 -7.405 3.798 1.00 . A A . 6 LYS HZ3 1 1 11 2949 1 1 6 LYS N N -2.525 -0.952 2.350 1.00 . A A . 6 LYS N 1 1 11 2950 1 1 6 LYS NZ N -3.895 -6.404 3.808 1.00 . A A . 6 LYS NZ 1 1 11 2951 1 1 6 LYS O O 0.249 -2.874 1.440 1.00 . A A . 6 LYS O 1 1 11 2952 1 1 7 LYS C C 0.421 -0.779 -1.123 1.00 . A A . 7 LYS C 1 1 11 2953 1 1 7 LYS CA C -0.533 -1.945 -1.034 1.00 . A A . 7 LYS CA 1 1 11 2954 1 1 7 LYS CB C -1.441 -2.047 -2.274 1.00 . A A . 7 LYS CB 1 1 11 2955 1 1 7 LYS CD C -1.831 -1.094 -4.571 1.00 . A A . 7 LYS CD 1 1 11 2956 1 1 7 LYS CE C -1.267 -0.027 -5.495 1.00 . A A . 7 LYS CE 1 1 11 2957 1 1 7 LYS CG C -1.537 -0.777 -3.113 1.00 . A A . 7 LYS CG 1 1 11 2958 1 1 7 LYS H H -2.195 -1.374 0.149 1.00 . A A . 7 LYS H 1 1 11 2959 1 1 7 LYS HA H 0.057 -2.821 -0.959 1.00 . A A . 7 LYS HA 1 1 11 2960 1 1 7 LYS HB2 H -1.067 -2.835 -2.910 1.00 . A A . 7 LYS HB2 1 1 11 2961 1 1 7 LYS HB3 H -2.438 -2.309 -1.949 1.00 . A A . 7 LYS HB3 1 1 11 2962 1 1 7 LYS HD2 H -1.382 -2.045 -4.819 1.00 . A A . 7 LYS HD2 1 1 11 2963 1 1 7 LYS HD3 H -2.899 -1.151 -4.709 1.00 . A A . 7 LYS HD3 1 1 11 2964 1 1 7 LYS HE2 H -1.846 0.876 -5.378 1.00 . A A . 7 LYS HE2 1 1 11 2965 1 1 7 LYS HE3 H -0.242 0.166 -5.217 1.00 . A A . 7 LYS HE3 1 1 11 2966 1 1 7 LYS HG2 H -2.329 -0.158 -2.722 1.00 . A A . 7 LYS HG2 1 1 11 2967 1 1 7 LYS HG3 H -0.600 -0.245 -3.055 1.00 . A A . 7 LYS HG3 1 1 11 2968 1 1 7 LYS HZ1 H -0.766 -1.325 -7.054 1.00 . A A . 7 LYS HZ1 1 1 11 2969 1 1 7 LYS HZ2 H -0.905 0.293 -7.528 1.00 . A A . 7 LYS HZ2 1 1 11 2970 1 1 7 LYS HZ3 H -2.295 -0.619 -7.215 1.00 . A A . 7 LYS HZ3 1 1 11 2971 1 1 7 LYS N N -1.317 -1.840 0.179 1.00 . A A . 7 LYS N 1 1 11 2972 1 1 7 LYS NZ N -1.312 -0.450 -6.923 1.00 . A A . 7 LYS NZ 1 1 11 2973 1 1 7 LYS O O 1.409 -0.821 -1.858 1.00 . A A . 7 LYS O 1 1 11 2974 1 1 8 ILE C C 2.045 1.309 0.732 1.00 . A A . 8 ILE C 1 1 11 2975 1 1 8 ILE CA C 0.990 1.417 -0.355 1.00 . A A . 8 ILE CA 1 1 11 2976 1 1 8 ILE CB C 0.178 2.725 -0.203 1.00 . A A . 8 ILE CB 1 1 11 2977 1 1 8 ILE CD1 C -1.832 3.772 -1.364 1.00 . A A . 8 ILE CD1 1 1 11 2978 1 1 8 ILE CG1 C -0.494 3.083 -1.530 1.00 . A A . 8 ILE CG1 1 1 11 2979 1 1 8 ILE CG2 C 1.063 3.870 0.271 1.00 . A A . 8 ILE CG2 1 1 11 2980 1 1 8 ILE H H -0.659 0.230 0.230 1.00 . A A . 8 ILE H 1 1 11 2981 1 1 8 ILE HA H 1.484 1.422 -1.301 1.00 . A A . 8 ILE HA 1 1 11 2982 1 1 8 ILE HB H -0.587 2.560 0.542 1.00 . A A . 8 ILE HB 1 1 11 2983 1 1 8 ILE HD11 H -1.870 4.257 -0.399 1.00 . A A . 8 ILE HD11 1 1 11 2984 1 1 8 ILE HD12 H -2.624 3.040 -1.429 1.00 . A A . 8 ILE HD12 1 1 11 2985 1 1 8 ILE HD13 H -1.956 4.509 -2.142 1.00 . A A . 8 ILE HD13 1 1 11 2986 1 1 8 ILE HG12 H 0.152 3.746 -2.086 1.00 . A A . 8 ILE HG12 1 1 11 2987 1 1 8 ILE HG13 H -0.653 2.180 -2.100 1.00 . A A . 8 ILE HG13 1 1 11 2988 1 1 8 ILE HG21 H 1.432 3.650 1.263 1.00 . A A . 8 ILE HG21 1 1 11 2989 1 1 8 ILE HG22 H 0.488 4.784 0.296 1.00 . A A . 8 ILE HG22 1 1 11 2990 1 1 8 ILE HG23 H 1.897 3.986 -0.405 1.00 . A A . 8 ILE HG23 1 1 11 2991 1 1 8 ILE N N 0.137 0.256 -0.354 1.00 . A A . 8 ILE N 1 1 11 2992 1 1 8 ILE O O 3.155 1.821 0.596 1.00 . A A . 8 ILE O 1 1 11 2993 1 1 9 GLY C C 3.698 -0.567 2.499 1.00 . A A . 9 GLY C 1 1 11 2994 1 1 9 GLY CA C 2.616 0.415 2.883 1.00 . A A . 9 GLY CA 1 1 11 2995 1 1 9 GLY H H 0.800 0.222 1.820 1.00 . A A . 9 GLY H 1 1 11 2996 1 1 9 GLY HA2 H 3.069 1.362 3.143 1.00 . A A . 9 GLY HA2 1 1 11 2997 1 1 9 GLY HA3 H 2.078 0.032 3.738 1.00 . A A . 9 GLY HA3 1 1 11 2998 1 1 9 GLY N N 1.690 0.617 1.791 1.00 . A A . 9 GLY N 1 1 11 2999 1 1 9 GLY O O 4.852 -0.448 2.912 1.00 . A A . 9 GLY O 1 1 11 3000 1 1 10 ALA C C 5.284 -1.885 0.286 1.00 . A A . 10 ALA C 1 1 11 3001 1 1 10 ALA CA C 4.315 -2.517 1.251 1.00 . A A . 10 ALA CA 1 1 11 3002 1 1 10 ALA CB C 3.661 -3.744 0.643 1.00 . A A . 10 ALA CB 1 1 11 3003 1 1 10 ALA H H 2.418 -1.595 1.355 1.00 . A A . 10 ALA H 1 1 11 3004 1 1 10 ALA HA H 4.870 -2.811 2.132 1.00 . A A . 10 ALA HA 1 1 11 3005 1 1 10 ALA HB1 H 4.311 -4.154 -0.117 1.00 . A A . 10 ALA HB1 1 1 11 3006 1 1 10 ALA HB2 H 2.717 -3.466 0.198 1.00 . A A . 10 ALA HB2 1 1 11 3007 1 1 10 ALA HB3 H 3.494 -4.483 1.412 1.00 . A A . 10 ALA HB3 1 1 11 3008 1 1 10 ALA N N 3.340 -1.542 1.680 1.00 . A A . 10 ALA N 1 1 11 3009 1 1 10 ALA O O 6.461 -2.236 0.267 1.00 . A A . 10 ALA O 1 1 11 3010 1 1 11 VAL C C 6.869 0.318 -0.567 1.00 . A A . 11 VAL C 1 1 11 3011 1 1 11 VAL CA C 5.713 -0.220 -1.392 1.00 . A A . 11 VAL CA 1 1 11 3012 1 1 11 VAL CB C 5.023 0.930 -2.140 1.00 . A A . 11 VAL CB 1 1 11 3013 1 1 11 VAL CG1 C 6.011 1.632 -3.056 1.00 . A A . 11 VAL CG1 1 1 11 3014 1 1 11 VAL CG2 C 3.829 0.410 -2.920 1.00 . A A . 11 VAL CG2 1 1 11 3015 1 1 11 VAL H H 3.874 -0.634 -0.420 1.00 . A A . 11 VAL H 1 1 11 3016 1 1 11 VAL HA H 6.090 -0.938 -2.105 1.00 . A A . 11 VAL HA 1 1 11 3017 1 1 11 VAL HB H 4.669 1.644 -1.412 1.00 . A A . 11 VAL HB 1 1 11 3018 1 1 11 VAL HG11 H 5.869 2.700 -2.989 1.00 . A A . 11 VAL HG11 1 1 11 3019 1 1 11 VAL HG12 H 5.852 1.309 -4.074 1.00 . A A . 11 VAL HG12 1 1 11 3020 1 1 11 VAL HG13 H 7.020 1.384 -2.753 1.00 . A A . 11 VAL HG13 1 1 11 3021 1 1 11 VAL HG21 H 4.097 0.302 -3.960 1.00 . A A . 11 VAL HG21 1 1 11 3022 1 1 11 VAL HG22 H 3.007 1.105 -2.829 1.00 . A A . 11 VAL HG22 1 1 11 3023 1 1 11 VAL HG23 H 3.533 -0.551 -2.524 1.00 . A A . 11 VAL HG23 1 1 11 3024 1 1 11 VAL N N 4.815 -0.911 -0.488 1.00 . A A . 11 VAL N 1 1 11 3025 1 1 11 VAL O O 8.014 0.362 -1.014 1.00 . A A . 11 VAL O 1 1 11 3026 1 1 12 LEU C C 8.661 0.106 1.690 1.00 . A A . 12 LEU C 1 1 11 3027 1 1 12 LEU CA C 7.537 1.121 1.638 1.00 . A A . 12 LEU CA 1 1 11 3028 1 1 12 LEU CB C 6.891 1.210 3.016 1.00 . A A . 12 LEU CB 1 1 11 3029 1 1 12 LEU CD1 C 8.023 3.250 3.935 1.00 . A A . 12 LEU CD1 1 1 11 3030 1 1 12 LEU CD2 C 7.178 1.484 5.492 1.00 . A A . 12 LEU CD2 1 1 11 3031 1 1 12 LEU CG C 7.790 1.759 4.126 1.00 . A A . 12 LEU CG 1 1 11 3032 1 1 12 LEU H H 5.623 0.550 0.978 1.00 . A A . 12 LEU H 1 1 11 3033 1 1 12 LEU HA H 7.912 2.087 1.334 1.00 . A A . 12 LEU HA 1 1 11 3034 1 1 12 LEU HB2 H 6.014 1.836 2.942 1.00 . A A . 12 LEU HB2 1 1 11 3035 1 1 12 LEU HB3 H 6.576 0.205 3.297 1.00 . A A . 12 LEU HB3 1 1 11 3036 1 1 12 LEU HD11 H 8.302 3.694 4.878 1.00 . A A . 12 LEU HD11 1 1 11 3037 1 1 12 LEU HD12 H 7.116 3.712 3.573 1.00 . A A . 12 LEU HD12 1 1 11 3038 1 1 12 LEU HD13 H 8.816 3.401 3.216 1.00 . A A . 12 LEU HD13 1 1 11 3039 1 1 12 LEU HD21 H 6.561 0.600 5.438 1.00 . A A . 12 LEU HD21 1 1 11 3040 1 1 12 LEU HD22 H 6.574 2.328 5.792 1.00 . A A . 12 LEU HD22 1 1 11 3041 1 1 12 LEU HD23 H 7.965 1.330 6.214 1.00 . A A . 12 LEU HD23 1 1 11 3042 1 1 12 LEU HG H 8.749 1.263 4.083 1.00 . A A . 12 LEU HG 1 1 11 3043 1 1 12 LEU N N 6.549 0.660 0.680 1.00 . A A . 12 LEU N 1 1 11 3044 1 1 12 LEU O O 9.835 0.439 1.845 1.00 . A A . 12 LEU O 1 1 11 3045 1 1 13 LYS C C 9.912 -2.349 0.230 1.00 . A A . 13 LYS C 1 1 11 3046 1 1 13 LYS CA C 9.166 -2.274 1.549 1.00 . A A . 13 LYS CA 1 1 11 3047 1 1 13 LYS CB C 8.383 -3.567 1.764 1.00 . A A . 13 LYS CB 1 1 11 3048 1 1 13 LYS CD C 9.848 -4.621 3.516 1.00 . A A . 13 LYS CD 1 1 11 3049 1 1 13 LYS CE C 9.198 -5.583 4.497 1.00 . A A . 13 LYS CE 1 1 11 3050 1 1 13 LYS CG C 9.256 -4.759 2.121 1.00 . A A . 13 LYS CG 1 1 11 3051 1 1 13 LYS H H 7.295 -1.316 1.409 1.00 . A A . 13 LYS H 1 1 11 3052 1 1 13 LYS HA H 9.862 -2.137 2.356 1.00 . A A . 13 LYS HA 1 1 11 3053 1 1 13 LYS HB2 H 7.671 -3.415 2.562 1.00 . A A . 13 LYS HB2 1 1 11 3054 1 1 13 LYS HB3 H 7.846 -3.799 0.853 1.00 . A A . 13 LYS HB3 1 1 11 3055 1 1 13 LYS HD2 H 10.906 -4.830 3.470 1.00 . A A . 13 LYS HD2 1 1 11 3056 1 1 13 LYS HD3 H 9.695 -3.609 3.864 1.00 . A A . 13 LYS HD3 1 1 11 3057 1 1 13 LYS HE2 H 9.344 -5.209 5.499 1.00 . A A . 13 LYS HE2 1 1 11 3058 1 1 13 LYS HE3 H 8.141 -5.636 4.283 1.00 . A A . 13 LYS HE3 1 1 11 3059 1 1 13 LYS HG2 H 8.657 -5.656 2.082 1.00 . A A . 13 LYS HG2 1 1 11 3060 1 1 13 LYS HG3 H 10.061 -4.830 1.405 1.00 . A A . 13 LYS HG3 1 1 11 3061 1 1 13 LYS HZ1 H 9.063 -7.663 4.651 1.00 . A A . 13 LYS HZ1 1 1 11 3062 1 1 13 LYS HZ2 H 10.585 -7.044 5.053 1.00 . A A . 13 LYS HZ2 1 1 11 3063 1 1 13 LYS HZ3 H 10.111 -7.132 3.432 1.00 . A A . 13 LYS HZ3 1 1 11 3064 1 1 13 LYS N N 8.255 -1.148 1.541 1.00 . A A . 13 LYS N 1 1 11 3065 1 1 13 LYS NZ N 9.780 -6.950 4.401 1.00 . A A . 13 LYS NZ 1 1 11 3066 1 1 13 LYS O O 11.108 -2.636 0.181 1.00 . A A . 13 LYS O 1 1 11 3067 1 1 14 VAL C C 10.551 -0.858 -2.449 1.00 . A A . 14 VAL C 1 1 11 3068 1 1 14 VAL CA C 9.714 -2.106 -2.178 1.00 . A A . 14 VAL CA 1 1 11 3069 1 1 14 VAL CB C 8.556 -2.223 -3.197 1.00 . A A . 14 VAL CB 1 1 11 3070 1 1 14 VAL CG1 C 8.767 -1.327 -4.414 1.00 . A A . 14 VAL CG1 1 1 11 3071 1 1 14 VAL CG2 C 8.371 -3.671 -3.624 1.00 . A A . 14 VAL CG2 1 1 11 3072 1 1 14 VAL H H 8.236 -1.861 -0.719 1.00 . A A . 14 VAL H 1 1 11 3073 1 1 14 VAL HA H 10.333 -2.974 -2.264 1.00 . A A . 14 VAL HA 1 1 11 3074 1 1 14 VAL HB H 7.650 -1.905 -2.696 1.00 . A A . 14 VAL HB 1 1 11 3075 1 1 14 VAL HG11 H 8.778 -0.293 -4.102 1.00 . A A . 14 VAL HG11 1 1 11 3076 1 1 14 VAL HG12 H 7.962 -1.482 -5.118 1.00 . A A . 14 VAL HG12 1 1 11 3077 1 1 14 VAL HG13 H 9.708 -1.573 -4.883 1.00 . A A . 14 VAL HG13 1 1 11 3078 1 1 14 VAL HG21 H 7.425 -3.777 -4.135 1.00 . A A . 14 VAL HG21 1 1 11 3079 1 1 14 VAL HG22 H 8.382 -4.307 -2.752 1.00 . A A . 14 VAL HG22 1 1 11 3080 1 1 14 VAL HG23 H 9.173 -3.957 -4.289 1.00 . A A . 14 VAL HG23 1 1 11 3081 1 1 14 VAL N N 9.176 -2.084 -0.838 1.00 . A A . 14 VAL N 1 1 11 3082 1 1 14 VAL O O 11.232 -0.753 -3.469 1.00 . A A . 14 VAL O 1 1 11 3083 1 1 15 LEU C C 12.653 1.177 -1.147 1.00 . A A . 15 LEU C 1 1 11 3084 1 1 15 LEU CA C 11.212 1.334 -1.624 1.00 . A A . 15 LEU CA 1 1 11 3085 1 1 15 LEU CB C 10.491 2.398 -0.798 1.00 . A A . 15 LEU CB 1 1 11 3086 1 1 15 LEU CD1 C 9.412 3.414 -2.821 1.00 . A A . 15 LEU CD1 1 1 11 3087 1 1 15 LEU CD2 C 9.399 4.649 -0.646 1.00 . A A . 15 LEU CD2 1 1 11 3088 1 1 15 LEU CG C 10.182 3.699 -1.541 1.00 . A A . 15 LEU CG 1 1 11 3089 1 1 15 LEU H H 9.921 -0.070 -0.737 1.00 . A A . 15 LEU H 1 1 11 3090 1 1 15 LEU HA H 11.215 1.637 -2.661 1.00 . A A . 15 LEU HA 1 1 11 3091 1 1 15 LEU HB2 H 9.556 1.971 -0.453 1.00 . A A . 15 LEU HB2 1 1 11 3092 1 1 15 LEU HB3 H 11.099 2.634 0.062 1.00 . A A . 15 LEU HB3 1 1 11 3093 1 1 15 LEU HD11 H 8.905 4.311 -3.143 1.00 . A A . 15 LEU HD11 1 1 11 3094 1 1 15 LEU HD12 H 8.686 2.635 -2.638 1.00 . A A . 15 LEU HD12 1 1 11 3095 1 1 15 LEU HD13 H 10.098 3.091 -3.589 1.00 . A A . 15 LEU HD13 1 1 11 3096 1 1 15 LEU HD21 H 9.589 4.407 0.389 1.00 . A A . 15 LEU HD21 1 1 11 3097 1 1 15 LEU HD22 H 8.343 4.548 -0.851 1.00 . A A . 15 LEU HD22 1 1 11 3098 1 1 15 LEU HD23 H 9.709 5.665 -0.842 1.00 . A A . 15 LEU HD23 1 1 11 3099 1 1 15 LEU HG H 11.111 4.181 -1.810 1.00 . A A . 15 LEU HG 1 1 11 3100 1 1 15 LEU N N 10.485 0.082 -1.520 1.00 . A A . 15 LEU N 1 1 11 3101 1 1 15 LEU O O 13.427 2.148 -1.272 1.00 . A A . 15 LEU O 1 1 11 3102 1 1 15 LEU OXT O 12.994 0.081 -0.652 1.00 . A A . 15 LEU OXT 1 1 12 3103 1 1 1 LYS C C -7.664 2.032 2.477 1.00 . A A . 1 LYS C 1 1 12 3104 1 1 1 LYS CA C -7.799 3.341 1.723 1.00 . A A . 1 LYS CA 1 1 12 3105 1 1 1 LYS CB C -9.065 4.081 2.161 1.00 . A A . 1 LYS CB 1 1 12 3106 1 1 1 LYS CD C -10.775 4.331 0.332 1.00 . A A . 1 LYS CD 1 1 12 3107 1 1 1 LYS CE C -12.141 3.893 -0.177 1.00 . A A . 1 LYS CE 1 1 12 3108 1 1 1 LYS CG C -10.350 3.534 1.556 1.00 . A A . 1 LYS CG 1 1 12 3109 1 1 1 LYS H1 H -8.707 2.593 0.028 1.00 . A A . 1 LYS H1 1 1 12 3110 1 1 1 LYS H2 H -6.993 2.588 -0.016 1.00 . A A . 1 LYS H2 1 1 12 3111 1 1 1 LYS H3 H -7.854 4.059 -0.207 1.00 . A A . 1 LYS H3 1 1 12 3112 1 1 1 LYS HA H -6.948 3.937 1.946 1.00 . A A . 1 LYS HA 1 1 12 3113 1 1 1 LYS HB2 H -9.148 4.017 3.235 1.00 . A A . 1 LYS HB2 1 1 12 3114 1 1 1 LYS HB3 H -8.975 5.119 1.879 1.00 . A A . 1 LYS HB3 1 1 12 3115 1 1 1 LYS HD2 H -10.819 5.377 0.594 1.00 . A A . 1 LYS HD2 1 1 12 3116 1 1 1 LYS HD3 H -10.045 4.185 -0.452 1.00 . A A . 1 LYS HD3 1 1 12 3117 1 1 1 LYS HE2 H -12.471 3.040 0.398 1.00 . A A . 1 LYS HE2 1 1 12 3118 1 1 1 LYS HE3 H -12.838 4.707 -0.042 1.00 . A A . 1 LYS HE3 1 1 12 3119 1 1 1 LYS HG2 H -10.194 2.506 1.268 1.00 . A A . 1 LYS HG2 1 1 12 3120 1 1 1 LYS HG3 H -11.135 3.585 2.297 1.00 . A A . 1 LYS HG3 1 1 12 3121 1 1 1 LYS HZ1 H -12.530 4.274 -2.195 1.00 . A A . 1 LYS HZ1 1 1 12 3122 1 1 1 LYS HZ2 H -12.644 2.641 -1.772 1.00 . A A . 1 LYS HZ2 1 1 12 3123 1 1 1 LYS HZ3 H -11.126 3.369 -1.929 1.00 . A A . 1 LYS HZ3 1 1 12 3124 1 1 1 LYS N N -7.843 3.125 0.250 1.00 . A A . 1 LYS N 1 1 12 3125 1 1 1 LYS NZ N -12.108 3.518 -1.619 1.00 . A A . 1 LYS NZ 1 1 12 3126 1 1 1 LYS O O -7.057 1.971 3.544 1.00 . A A . 1 LYS O 1 1 12 3127 1 1 2 TRP C C -7.075 -1.234 2.151 1.00 . A A . 2 TRP C 1 1 12 3128 1 1 2 TRP CA C -8.265 -0.320 2.545 1.00 . A A . 2 TRP CA 1 1 12 3129 1 1 2 TRP CB C -9.586 -1.011 2.302 1.00 . A A . 2 TRP CB 1 1 12 3130 1 1 2 TRP CD1 C -11.545 -0.092 1.024 1.00 . A A . 2 TRP CD1 1 1 12 3131 1 1 2 TRP CD2 C -9.656 -0.162 -0.063 1.00 . A A . 2 TRP CD2 1 1 12 3132 1 1 2 TRP CE2 C -10.609 0.306 -0.951 1.00 . A A . 2 TRP CE2 1 1 12 3133 1 1 2 TRP CE3 C -8.366 -0.294 -0.445 1.00 . A A . 2 TRP CE3 1 1 12 3134 1 1 2 TRP CG C -10.275 -0.453 1.139 1.00 . A A . 2 TRP CG 1 1 12 3135 1 1 2 TRP CH2 C -8.977 0.480 -2.630 1.00 . A A . 2 TRP CH2 1 1 12 3136 1 1 2 TRP CZ2 C -10.288 0.642 -2.261 1.00 . A A . 2 TRP CZ2 1 1 12 3137 1 1 2 TRP CZ3 C -8.025 0.025 -1.704 1.00 . A A . 2 TRP CZ3 1 1 12 3138 1 1 2 TRP H H -8.759 1.156 1.110 1.00 . A A . 2 TRP H 1 1 12 3139 1 1 2 TRP HA H -8.206 -0.141 3.554 1.00 . A A . 2 TRP HA 1 1 12 3140 1 1 2 TRP HB2 H -9.407 -2.058 2.110 1.00 . A A . 2 TRP HB2 1 1 12 3141 1 1 2 TRP HB3 H -10.222 -0.898 3.165 1.00 . A A . 2 TRP HB3 1 1 12 3142 1 1 2 TRP HD1 H -12.240 -0.163 1.823 1.00 . A A . 2 TRP HD1 1 1 12 3143 1 1 2 TRP HE1 H -12.624 0.646 -0.607 1.00 . A A . 2 TRP HE1 1 1 12 3144 1 1 2 TRP HE3 H -7.605 -0.580 0.287 1.00 . A A . 2 TRP HE3 1 1 12 3145 1 1 2 TRP HH2 H -8.657 0.725 -3.632 1.00 . A A . 2 TRP HH2 1 1 12 3146 1 1 2 TRP HZ2 H -11.026 0.992 -2.968 1.00 . A A . 2 TRP HZ2 1 1 12 3147 1 1 2 TRP HZ3 H -7.022 -0.115 -1.990 1.00 . A A . 2 TRP HZ3 1 1 12 3148 1 1 2 TRP N N -8.264 1.006 1.927 1.00 . A A . 2 TRP N 1 1 12 3149 1 1 2 TRP NE1 N -11.781 0.353 -0.258 1.00 . A A . 2 TRP NE1 1 1 12 3150 1 1 2 TRP O O -6.008 -1.156 2.760 1.00 . A A . 2 TRP O 1 1 12 3151 1 1 3 LYS C C -5.215 -2.339 -0.225 1.00 . A A . 3 LYS C 1 1 12 3152 1 1 3 LYS CA C -6.221 -3.026 0.678 1.00 . A A . 3 LYS CA 1 1 12 3153 1 1 3 LYS CB C -6.853 -4.207 -0.054 1.00 . A A . 3 LYS CB 1 1 12 3154 1 1 3 LYS CD C -8.467 -5.725 1.143 1.00 . A A . 3 LYS CD 1 1 12 3155 1 1 3 LYS CE C -8.713 -5.705 2.645 1.00 . A A . 3 LYS CE 1 1 12 3156 1 1 3 LYS CG C -7.008 -5.449 0.809 1.00 . A A . 3 LYS CG 1 1 12 3157 1 1 3 LYS H H -8.116 -2.127 0.678 1.00 . A A . 3 LYS H 1 1 12 3158 1 1 3 LYS HA H -5.709 -3.378 1.543 1.00 . A A . 3 LYS HA 1 1 12 3159 1 1 3 LYS HB2 H -7.830 -3.910 -0.403 1.00 . A A . 3 LYS HB2 1 1 12 3160 1 1 3 LYS HB3 H -6.239 -4.458 -0.905 1.00 . A A . 3 LYS HB3 1 1 12 3161 1 1 3 LYS HD2 H -9.083 -4.970 0.680 1.00 . A A . 3 LYS HD2 1 1 12 3162 1 1 3 LYS HD3 H -8.736 -6.697 0.758 1.00 . A A . 3 LYS HD3 1 1 12 3163 1 1 3 LYS HE2 H -8.247 -6.574 3.085 1.00 . A A . 3 LYS HE2 1 1 12 3164 1 1 3 LYS HE3 H -8.268 -4.810 3.057 1.00 . A A . 3 LYS HE3 1 1 12 3165 1 1 3 LYS HG2 H -6.607 -6.298 0.275 1.00 . A A . 3 LYS HG2 1 1 12 3166 1 1 3 LYS HG3 H -6.456 -5.308 1.728 1.00 . A A . 3 LYS HG3 1 1 12 3167 1 1 3 LYS HZ1 H -10.305 -5.869 3.986 1.00 . A A . 3 LYS HZ1 1 1 12 3168 1 1 3 LYS HZ2 H -10.642 -6.480 2.447 1.00 . A A . 3 LYS HZ2 1 1 12 3169 1 1 3 LYS HZ3 H -10.599 -4.810 2.700 1.00 . A A . 3 LYS HZ3 1 1 12 3170 1 1 3 LYS N N -7.263 -2.105 1.133 1.00 . A A . 3 LYS N 1 1 12 3171 1 1 3 LYS NZ N -10.166 -5.718 2.967 1.00 . A A . 3 LYS NZ 1 1 12 3172 1 1 3 LYS O O -4.282 -2.954 -0.740 1.00 . A A . 3 LYS O 1 1 12 3173 1 1 4 LEU C C -3.494 0.345 -0.169 1.00 . A A . 4 LEU C 1 1 12 3174 1 1 4 LEU CA C -4.493 -0.219 -1.125 1.00 . A A . 4 LEU CA 1 1 12 3175 1 1 4 LEU CB C -5.221 0.956 -1.717 1.00 . A A . 4 LEU CB 1 1 12 3176 1 1 4 LEU CD1 C -6.268 2.100 -3.692 1.00 . A A . 4 LEU CD1 1 1 12 3177 1 1 4 LEU CD2 C -4.123 0.846 -3.968 1.00 . A A . 4 LEU CD2 1 1 12 3178 1 1 4 LEU CG C -5.454 0.901 -3.232 1.00 . A A . 4 LEU CG 1 1 12 3179 1 1 4 LEU H H -6.115 -0.648 0.131 1.00 . A A . 4 LEU H 1 1 12 3180 1 1 4 LEU HA H -4.026 -0.810 -1.889 1.00 . A A . 4 LEU HA 1 1 12 3181 1 1 4 LEU HB2 H -6.172 1.054 -1.198 1.00 . A A . 4 LEU HB2 1 1 12 3182 1 1 4 LEU HB3 H -4.628 1.824 -1.496 1.00 . A A . 4 LEU HB3 1 1 12 3183 1 1 4 LEU HD11 H -6.737 1.874 -4.638 1.00 . A A . 4 LEU HD11 1 1 12 3184 1 1 4 LEU HD12 H -5.618 2.954 -3.808 1.00 . A A . 4 LEU HD12 1 1 12 3185 1 1 4 LEU HD13 H -7.028 2.322 -2.958 1.00 . A A . 4 LEU HD13 1 1 12 3186 1 1 4 LEU HD21 H -3.603 -0.063 -3.705 1.00 . A A . 4 LEU HD21 1 1 12 3187 1 1 4 LEU HD22 H -3.522 1.698 -3.689 1.00 . A A . 4 LEU HD22 1 1 12 3188 1 1 4 LEU HD23 H -4.300 0.864 -5.034 1.00 . A A . 4 LEU HD23 1 1 12 3189 1 1 4 LEU HG H -6.007 0.007 -3.476 1.00 . A A . 4 LEU HG 1 1 12 3190 1 1 4 LEU N N -5.389 -1.055 -0.351 1.00 . A A . 4 LEU N 1 1 12 3191 1 1 4 LEU O O -2.284 0.308 -0.366 1.00 . A A . 4 LEU O 1 1 12 3192 1 1 5 PHE C C -2.348 0.378 2.471 1.00 . A A . 5 PHE C 1 1 12 3193 1 1 5 PHE CA C -3.360 1.393 2.009 1.00 . A A . 5 PHE CA 1 1 12 3194 1 1 5 PHE CB C -4.392 1.679 3.076 1.00 . A A . 5 PHE CB 1 1 12 3195 1 1 5 PHE CD1 C -4.685 4.164 2.931 1.00 . A A . 5 PHE CD1 1 1 12 3196 1 1 5 PHE CD2 C -3.766 3.248 4.931 1.00 . A A . 5 PHE CD2 1 1 12 3197 1 1 5 PHE CE1 C -4.570 5.436 3.458 1.00 . A A . 5 PHE CE1 1 1 12 3198 1 1 5 PHE CE2 C -3.652 4.517 5.464 1.00 . A A . 5 PHE CE2 1 1 12 3199 1 1 5 PHE CG C -4.285 3.058 3.659 1.00 . A A . 5 PHE CG 1 1 12 3200 1 1 5 PHE CZ C -4.053 5.613 4.726 1.00 . A A . 5 PHE CZ 1 1 12 3201 1 1 5 PHE H H -5.048 0.772 0.970 1.00 . A A . 5 PHE H 1 1 12 3202 1 1 5 PHE HA H -2.873 2.296 1.700 1.00 . A A . 5 PHE HA 1 1 12 3203 1 1 5 PHE HB2 H -5.378 1.563 2.616 1.00 . A A . 5 PHE HB2 1 1 12 3204 1 1 5 PHE HB3 H -4.286 0.958 3.871 1.00 . A A . 5 PHE HB3 1 1 12 3205 1 1 5 PHE HD1 H -5.088 4.028 1.939 1.00 . A A . 5 PHE HD1 1 1 12 3206 1 1 5 PHE HD2 H -3.452 2.390 5.508 1.00 . A A . 5 PHE HD2 1 1 12 3207 1 1 5 PHE HE1 H -4.886 6.292 2.880 1.00 . A A . 5 PHE HE1 1 1 12 3208 1 1 5 PHE HE2 H -3.247 4.652 6.457 1.00 . A A . 5 PHE HE2 1 1 12 3209 1 1 5 PHE HZ H -3.962 6.606 5.140 1.00 . A A . 5 PHE HZ 1 1 12 3210 1 1 5 PHE N N -4.073 0.831 0.905 1.00 . A A . 5 PHE N 1 1 12 3211 1 1 5 PHE O O -1.224 0.695 2.860 1.00 . A A . 5 PHE O 1 1 12 3212 1 1 6 LYS C C -0.989 -2.228 1.536 1.00 . A A . 6 LYS C 1 1 12 3213 1 1 6 LYS CA C -1.974 -1.997 2.675 1.00 . A A . 6 LYS CA 1 1 12 3214 1 1 6 LYS CB C -2.877 -3.216 2.926 1.00 . A A . 6 LYS CB 1 1 12 3215 1 1 6 LYS CD C -3.400 -5.563 2.181 1.00 . A A . 6 LYS CD 1 1 12 3216 1 1 6 LYS CE C -2.190 -6.480 2.096 1.00 . A A . 6 LYS CE 1 1 12 3217 1 1 6 LYS CG C -3.062 -4.148 1.734 1.00 . A A . 6 LYS CG 1 1 12 3218 1 1 6 LYS H H -3.662 -1.005 1.999 1.00 . A A . 6 LYS H 1 1 12 3219 1 1 6 LYS HA H -1.437 -1.764 3.572 1.00 . A A . 6 LYS HA 1 1 12 3220 1 1 6 LYS HB2 H -2.467 -3.790 3.740 1.00 . A A . 6 LYS HB2 1 1 12 3221 1 1 6 LYS HB3 H -3.856 -2.850 3.215 1.00 . A A . 6 LYS HB3 1 1 12 3222 1 1 6 LYS HD2 H -3.745 -5.534 3.203 1.00 . A A . 6 LYS HD2 1 1 12 3223 1 1 6 LYS HD3 H -4.182 -5.953 1.546 1.00 . A A . 6 LYS HD3 1 1 12 3224 1 1 6 LYS HE2 H -1.515 -6.098 1.344 1.00 . A A . 6 LYS HE2 1 1 12 3225 1 1 6 LYS HE3 H -1.693 -6.489 3.055 1.00 . A A . 6 LYS HE3 1 1 12 3226 1 1 6 LYS HG2 H -3.871 -3.776 1.126 1.00 . A A . 6 LYS HG2 1 1 12 3227 1 1 6 LYS HG3 H -2.153 -4.172 1.154 1.00 . A A . 6 LYS HG3 1 1 12 3228 1 1 6 LYS HZ1 H -3.349 -8.201 2.348 1.00 . A A . 6 LYS HZ1 1 1 12 3229 1 1 6 LYS HZ2 H -1.760 -8.512 1.859 1.00 . A A . 6 LYS HZ2 1 1 12 3230 1 1 6 LYS HZ3 H -2.886 -7.916 0.746 1.00 . A A . 6 LYS HZ3 1 1 12 3231 1 1 6 LYS N N -2.778 -0.860 2.352 1.00 . A A . 6 LYS N 1 1 12 3232 1 1 6 LYS NZ N -2.574 -7.875 1.737 1.00 . A A . 6 LYS NZ 1 1 12 3233 1 1 6 LYS O O 0.094 -2.779 1.737 1.00 . A A . 6 LYS O 1 1 12 3234 1 1 7 LYS C C 0.437 -0.705 -0.918 1.00 . A A . 7 LYS C 1 1 12 3235 1 1 7 LYS CA C -0.491 -1.892 -0.830 1.00 . A A . 7 LYS CA 1 1 12 3236 1 1 7 LYS CB C -1.306 -2.030 -2.118 1.00 . A A . 7 LYS CB 1 1 12 3237 1 1 7 LYS CD C 0.301 -3.656 -3.170 1.00 . A A . 7 LYS CD 1 1 12 3238 1 1 7 LYS CE C 1.766 -3.410 -2.843 1.00 . A A . 7 LYS CE 1 1 12 3239 1 1 7 LYS CG C -0.461 -2.350 -3.341 1.00 . A A . 7 LYS CG 1 1 12 3240 1 1 7 LYS H H -2.238 -1.298 0.225 1.00 . A A . 7 LYS H 1 1 12 3241 1 1 7 LYS HA H 0.115 -2.758 -0.698 1.00 . A A . 7 LYS HA 1 1 12 3242 1 1 7 LYS HB2 H -2.028 -2.823 -1.989 1.00 . A A . 7 LYS HB2 1 1 12 3243 1 1 7 LYS HB3 H -1.830 -1.104 -2.301 1.00 . A A . 7 LYS HB3 1 1 12 3244 1 1 7 LYS HD2 H -0.147 -4.221 -2.367 1.00 . A A . 7 LYS HD2 1 1 12 3245 1 1 7 LYS HD3 H 0.237 -4.221 -4.090 1.00 . A A . 7 LYS HD3 1 1 12 3246 1 1 7 LYS HE2 H 2.215 -2.859 -3.655 1.00 . A A . 7 LYS HE2 1 1 12 3247 1 1 7 LYS HE3 H 1.825 -2.826 -1.937 1.00 . A A . 7 LYS HE3 1 1 12 3248 1 1 7 LYS HG2 H -1.108 -2.433 -4.202 1.00 . A A . 7 LYS HG2 1 1 12 3249 1 1 7 LYS HG3 H 0.247 -1.549 -3.497 1.00 . A A . 7 LYS HG3 1 1 12 3250 1 1 7 LYS HZ1 H 3.137 -4.860 -3.463 1.00 . A A . 7 LYS HZ1 1 1 12 3251 1 1 7 LYS HZ2 H 1.854 -5.478 -2.550 1.00 . A A . 7 LYS HZ2 1 1 12 3252 1 1 7 LYS HZ3 H 3.099 -4.623 -1.789 1.00 . A A . 7 LYS HZ3 1 1 12 3253 1 1 7 LYS N N -1.362 -1.765 0.331 1.00 . A A . 7 LYS N 1 1 12 3254 1 1 7 LYS NZ N 2.517 -4.681 -2.648 1.00 . A A . 7 LYS NZ 1 1 12 3255 1 1 7 LYS O O 1.376 -0.691 -1.717 1.00 . A A . 7 LYS O 1 1 12 3256 1 1 8 ILE C C 2.140 1.290 0.968 1.00 . A A . 8 ILE C 1 1 12 3257 1 1 8 ILE CA C 1.036 1.451 -0.061 1.00 . A A . 8 ILE CA 1 1 12 3258 1 1 8 ILE CB C 0.220 2.740 0.204 1.00 . A A . 8 ILE CB 1 1 12 3259 1 1 8 ILE CD1 C 0.588 3.645 -2.144 1.00 . A A . 8 ILE CD1 1 1 12 3260 1 1 8 ILE CG1 C -0.420 3.231 -1.093 1.00 . A A . 8 ILE CG1 1 1 12 3261 1 1 8 ILE CG2 C 1.095 3.833 0.808 1.00 . A A . 8 ILE CG2 1 1 12 3262 1 1 8 ILE H H -0.552 0.212 0.557 1.00 . A A . 8 ILE H 1 1 12 3263 1 1 8 ILE HA H 1.481 1.512 -1.027 1.00 . A A . 8 ILE HA 1 1 12 3264 1 1 8 ILE HB H -0.560 2.505 0.914 1.00 . A A . 8 ILE HB 1 1 12 3265 1 1 8 ILE HD11 H 0.428 3.069 -3.042 1.00 . A A . 8 ILE HD11 1 1 12 3266 1 1 8 ILE HD12 H 1.587 3.466 -1.773 1.00 . A A . 8 ILE HD12 1 1 12 3267 1 1 8 ILE HD13 H 0.468 4.695 -2.364 1.00 . A A . 8 ILE HD13 1 1 12 3268 1 1 8 ILE HG12 H -1.027 2.441 -1.510 1.00 . A A . 8 ILE HG12 1 1 12 3269 1 1 8 ILE HG13 H -1.046 4.084 -0.878 1.00 . A A . 8 ILE HG13 1 1 12 3270 1 1 8 ILE HG21 H 1.333 3.579 1.831 1.00 . A A . 8 ILE HG21 1 1 12 3271 1 1 8 ILE HG22 H 0.565 4.773 0.784 1.00 . A A . 8 ILE HG22 1 1 12 3272 1 1 8 ILE HG23 H 2.008 3.919 0.238 1.00 . A A . 8 ILE HG23 1 1 12 3273 1 1 8 ILE N N 0.196 0.281 -0.075 1.00 . A A . 8 ILE N 1 1 12 3274 1 1 8 ILE O O 3.250 1.793 0.799 1.00 . A A . 8 ILE O 1 1 12 3275 1 1 9 GLY C C 3.848 -0.688 2.584 1.00 . A A . 9 GLY C 1 1 12 3276 1 1 9 GLY CA C 2.798 0.293 3.054 1.00 . A A . 9 GLY CA 1 1 12 3277 1 1 9 GLY H H 0.935 0.166 2.066 1.00 . A A . 9 GLY H 1 1 12 3278 1 1 9 GLY HA2 H 3.277 1.222 3.335 1.00 . A A . 9 GLY HA2 1 1 12 3279 1 1 9 GLY HA3 H 2.293 -0.119 3.915 1.00 . A A . 9 GLY HA3 1 1 12 3280 1 1 9 GLY N N 1.828 0.553 2.014 1.00 . A A . 9 GLY N 1 1 12 3281 1 1 9 GLY O O 5.011 -0.621 2.978 1.00 . A A . 9 GLY O 1 1 12 3282 1 1 10 ALA C C 5.338 -1.915 0.238 1.00 . A A . 10 ALA C 1 1 12 3283 1 1 10 ALA CA C 4.396 -2.572 1.215 1.00 . A A . 10 ALA CA 1 1 12 3284 1 1 10 ALA CB C 3.705 -3.769 0.585 1.00 . A A . 10 ALA CB 1 1 12 3285 1 1 10 ALA H H 2.521 -1.624 1.413 1.00 . A A . 10 ALA H 1 1 12 3286 1 1 10 ALA HA H 4.979 -2.906 2.063 1.00 . A A . 10 ALA HA 1 1 12 3287 1 1 10 ALA HB1 H 4.372 -4.227 -0.133 1.00 . A A . 10 ALA HB1 1 1 12 3288 1 1 10 ALA HB2 H 2.805 -3.444 0.084 1.00 . A A . 10 ALA HB2 1 1 12 3289 1 1 10 ALA HB3 H 3.455 -4.486 1.351 1.00 . A A . 10 ALA HB3 1 1 12 3290 1 1 10 ALA N N 3.451 -1.606 1.719 1.00 . A A . 10 ALA N 1 1 12 3291 1 1 10 ALA O O 6.518 -2.249 0.194 1.00 . A A . 10 ALA O 1 1 12 3292 1 1 11 VAL C C 6.885 0.322 -0.611 1.00 . A A . 11 VAL C 1 1 12 3293 1 1 11 VAL CA C 5.725 -0.232 -1.424 1.00 . A A . 11 VAL CA 1 1 12 3294 1 1 11 VAL CB C 5.006 0.907 -2.166 1.00 . A A . 11 VAL CB 1 1 12 3295 1 1 11 VAL CG1 C 5.978 1.644 -3.076 1.00 . A A . 11 VAL CG1 1 1 12 3296 1 1 11 VAL CG2 C 3.827 0.361 -2.955 1.00 . A A . 11 VAL CG2 1 1 12 3297 1 1 11 VAL H H 3.907 -0.671 -0.427 1.00 . A A . 11 VAL H 1 1 12 3298 1 1 11 VAL HA H 6.105 -0.946 -2.141 1.00 . A A . 11 VAL HA 1 1 12 3299 1 1 11 VAL HB H 4.631 1.606 -1.434 1.00 . A A . 11 VAL HB 1 1 12 3300 1 1 11 VAL HG11 H 5.800 1.358 -4.101 1.00 . A A . 11 VAL HG11 1 1 12 3301 1 1 11 VAL HG12 H 6.991 1.388 -2.800 1.00 . A A . 11 VAL HG12 1 1 12 3302 1 1 11 VAL HG13 H 5.834 2.709 -2.966 1.00 . A A . 11 VAL HG13 1 1 12 3303 1 1 11 VAL HG21 H 2.974 1.009 -2.823 1.00 . A A . 11 VAL HG21 1 1 12 3304 1 1 11 VAL HG22 H 3.586 -0.631 -2.600 1.00 . A A . 11 VAL HG22 1 1 12 3305 1 1 11 VAL HG23 H 4.085 0.314 -4.003 1.00 . A A . 11 VAL HG23 1 1 12 3306 1 1 11 VAL N N 4.848 -0.939 -0.514 1.00 . A A . 11 VAL N 1 1 12 3307 1 1 11 VAL O O 8.020 0.404 -1.078 1.00 . A A . 11 VAL O 1 1 12 3308 1 1 12 LEU C C 8.711 0.110 1.643 1.00 . A A . 12 LEU C 1 1 12 3309 1 1 12 LEU CA C 7.567 1.105 1.599 1.00 . A A . 12 LEU CA 1 1 12 3310 1 1 12 LEU CB C 6.932 1.177 2.984 1.00 . A A . 12 LEU CB 1 1 12 3311 1 1 12 LEU CD1 C 7.308 2.786 4.879 1.00 . A A . 12 LEU CD1 1 1 12 3312 1 1 12 LEU CD2 C 8.126 0.428 5.058 1.00 . A A . 12 LEU CD2 1 1 12 3313 1 1 12 LEU CG C 7.875 1.597 4.116 1.00 . A A . 12 LEU CG 1 1 12 3314 1 1 12 LEU H H 5.660 0.492 0.959 1.00 . A A . 12 LEU H 1 1 12 3315 1 1 12 LEU HA H 7.923 2.077 1.298 1.00 . A A . 12 LEU HA 1 1 12 3316 1 1 12 LEU HB2 H 6.107 1.874 2.943 1.00 . A A . 12 LEU HB2 1 1 12 3317 1 1 12 LEU HB3 H 6.539 0.187 3.214 1.00 . A A . 12 LEU HB3 1 1 12 3318 1 1 12 LEU HD11 H 6.508 3.234 4.307 1.00 . A A . 12 LEU HD11 1 1 12 3319 1 1 12 LEU HD12 H 8.088 3.516 5.037 1.00 . A A . 12 LEU HD12 1 1 12 3320 1 1 12 LEU HD13 H 6.925 2.455 5.833 1.00 . A A . 12 LEU HD13 1 1 12 3321 1 1 12 LEU HD21 H 8.910 -0.196 4.657 1.00 . A A . 12 LEU HD21 1 1 12 3322 1 1 12 LEU HD22 H 7.221 -0.152 5.161 1.00 . A A . 12 LEU HD22 1 1 12 3323 1 1 12 LEU HD23 H 8.424 0.804 6.026 1.00 . A A . 12 LEU HD23 1 1 12 3324 1 1 12 LEU HG H 8.823 1.895 3.692 1.00 . A A . 12 LEU HG 1 1 12 3325 1 1 12 LEU N N 6.578 0.633 0.649 1.00 . A A . 12 LEU N 1 1 12 3326 1 1 12 LEU O O 9.875 0.464 1.826 1.00 . A A . 12 LEU O 1 1 12 3327 1 1 13 LYS C C 9.976 -2.314 0.106 1.00 . A A . 13 LYS C 1 1 12 3328 1 1 13 LYS CA C 9.275 -2.253 1.448 1.00 . A A . 13 LYS CA 1 1 12 3329 1 1 13 LYS CB C 8.528 -3.560 1.693 1.00 . A A . 13 LYS CB 1 1 12 3330 1 1 13 LYS CD C 7.942 -5.056 3.625 1.00 . A A . 13 LYS CD 1 1 12 3331 1 1 13 LYS CE C 7.110 -6.021 2.795 1.00 . A A . 13 LYS CE 1 1 12 3332 1 1 13 LYS CG C 7.882 -3.643 3.065 1.00 . A A . 13 LYS CG 1 1 12 3333 1 1 13 LYS H H 7.387 -1.339 1.299 1.00 . A A . 13 LYS H 1 1 12 3334 1 1 13 LYS HA H 9.991 -2.092 2.230 1.00 . A A . 13 LYS HA 1 1 12 3335 1 1 13 LYS HB2 H 7.752 -3.653 0.944 1.00 . A A . 13 LYS HB2 1 1 12 3336 1 1 13 LYS HB3 H 9.219 -4.383 1.588 1.00 . A A . 13 LYS HB3 1 1 12 3337 1 1 13 LYS HD2 H 8.969 -5.389 3.625 1.00 . A A . 13 LYS HD2 1 1 12 3338 1 1 13 LYS HD3 H 7.565 -5.047 4.638 1.00 . A A . 13 LYS HD3 1 1 12 3339 1 1 13 LYS HE2 H 6.938 -5.584 1.824 1.00 . A A . 13 LYS HE2 1 1 12 3340 1 1 13 LYS HE3 H 7.662 -6.944 2.682 1.00 . A A . 13 LYS HE3 1 1 12 3341 1 1 13 LYS HG2 H 8.402 -2.978 3.738 1.00 . A A . 13 LYS HG2 1 1 12 3342 1 1 13 LYS HG3 H 6.848 -3.342 2.984 1.00 . A A . 13 LYS HG3 1 1 12 3343 1 1 13 LYS HZ1 H 5.034 -5.831 2.920 1.00 . A A . 13 LYS HZ1 1 1 12 3344 1 1 13 LYS HZ2 H 5.797 -5.990 4.421 1.00 . A A . 13 LYS HZ2 1 1 12 3345 1 1 13 LYS HZ3 H 5.614 -7.340 3.419 1.00 . A A . 13 LYS HZ3 1 1 12 3346 1 1 13 LYS N N 8.337 -1.149 1.454 1.00 . A A . 13 LYS N 1 1 12 3347 1 1 13 LYS NZ N 5.797 -6.316 3.433 1.00 . A A . 13 LYS NZ 1 1 12 3348 1 1 13 LYS O O 11.177 -2.575 0.015 1.00 . A A . 13 LYS O 1 1 12 3349 1 1 14 VAL C C 10.612 -0.867 -2.517 1.00 . A A . 14 VAL C 1 1 12 3350 1 1 14 VAL CA C 9.683 -2.052 -2.288 1.00 . A A . 14 VAL CA 1 1 12 3351 1 1 14 VAL CB C 8.493 -1.983 -3.261 1.00 . A A . 14 VAL CB 1 1 12 3352 1 1 14 VAL CG1 C 8.936 -1.557 -4.655 1.00 . A A . 14 VAL CG1 1 1 12 3353 1 1 14 VAL CG2 C 7.766 -3.319 -3.312 1.00 . A A . 14 VAL CG2 1 1 12 3354 1 1 14 VAL H H 8.257 -1.846 -0.772 1.00 . A A . 14 VAL H 1 1 12 3355 1 1 14 VAL HA H 10.214 -2.963 -2.451 1.00 . A A . 14 VAL HA 1 1 12 3356 1 1 14 VAL HB H 7.803 -1.243 -2.875 1.00 . A A . 14 VAL HB 1 1 12 3357 1 1 14 VAL HG11 H 9.277 -0.532 -4.627 1.00 . A A . 14 VAL HG11 1 1 12 3358 1 1 14 VAL HG12 H 8.103 -1.641 -5.339 1.00 . A A . 14 VAL HG12 1 1 12 3359 1 1 14 VAL HG13 H 9.741 -2.195 -4.987 1.00 . A A . 14 VAL HG13 1 1 12 3360 1 1 14 VAL HG21 H 7.961 -3.870 -2.404 1.00 . A A . 14 VAL HG21 1 1 12 3361 1 1 14 VAL HG22 H 8.114 -3.888 -4.161 1.00 . A A . 14 VAL HG22 1 1 12 3362 1 1 14 VAL HG23 H 6.703 -3.147 -3.406 1.00 . A A . 14 VAL HG23 1 1 12 3363 1 1 14 VAL N N 9.198 -2.055 -0.930 1.00 . A A . 14 VAL N 1 1 12 3364 1 1 14 VAL O O 11.394 -0.834 -3.466 1.00 . A A . 14 VAL O 1 1 12 3365 1 1 15 LEU C C 12.747 1.046 -1.325 1.00 . A A . 15 LEU C 1 1 12 3366 1 1 15 LEU CA C 11.287 1.318 -1.678 1.00 . A A . 15 LEU CA 1 1 12 3367 1 1 15 LEU CB C 10.686 2.334 -0.709 1.00 . A A . 15 LEU CB 1 1 12 3368 1 1 15 LEU CD1 C 11.773 4.430 -1.549 1.00 . A A . 15 LEU CD1 1 1 12 3369 1 1 15 LEU CD2 C 9.625 3.641 -2.572 1.00 . A A . 15 LEU CD2 1 1 12 3370 1 1 15 LEU CG C 10.449 3.729 -1.292 1.00 . A A . 15 LEU CG 1 1 12 3371 1 1 15 LEU H H 9.845 -0.005 -0.907 1.00 . A A . 15 LEU H 1 1 12 3372 1 1 15 LEU HA H 11.234 1.713 -2.680 1.00 . A A . 15 LEU HA 1 1 12 3373 1 1 15 LEU HB2 H 9.736 1.940 -0.365 1.00 . A A . 15 LEU HB2 1 1 12 3374 1 1 15 LEU HB3 H 11.345 2.428 0.140 1.00 . A A . 15 LEU HB3 1 1 12 3375 1 1 15 LEU HD11 H 11.611 5.497 -1.601 1.00 . A A . 15 LEU HD11 1 1 12 3376 1 1 15 LEU HD12 H 12.190 4.084 -2.484 1.00 . A A . 15 LEU HD12 1 1 12 3377 1 1 15 LEU HD13 H 12.460 4.210 -0.746 1.00 . A A . 15 LEU HD13 1 1 12 3378 1 1 15 LEU HD21 H 10.196 4.046 -3.395 1.00 . A A . 15 LEU HD21 1 1 12 3379 1 1 15 LEU HD22 H 8.714 4.208 -2.453 1.00 . A A . 15 LEU HD22 1 1 12 3380 1 1 15 LEU HD23 H 9.383 2.609 -2.774 1.00 . A A . 15 LEU HD23 1 1 12 3381 1 1 15 LEU HG H 9.893 4.319 -0.576 1.00 . A A . 15 LEU HG 1 1 12 3382 1 1 15 LEU N N 10.496 0.102 -1.628 1.00 . A A . 15 LEU N 1 1 12 3383 1 1 15 LEU O O 13.065 1.008 -0.118 1.00 . A A . 15 LEU O 1 1 12 3384 1 1 15 LEU OXT O 13.559 0.873 -2.258 1.00 . A A . 15 LEU OXT 1 1 13 3385 1 1 1 LYS C C -6.808 2.355 3.711 1.00 . A A . 1 LYS C 1 1 13 3386 1 1 1 LYS CA C -6.402 3.812 3.657 1.00 . A A . 1 LYS CA 1 1 13 3387 1 1 1 LYS CB C -7.398 4.657 4.450 1.00 . A A . 1 LYS CB 1 1 13 3388 1 1 1 LYS CD C -9.464 5.983 3.896 1.00 . A A . 1 LYS CD 1 1 13 3389 1 1 1 LYS CE C -10.821 5.958 3.212 1.00 . A A . 1 LYS CE 1 1 13 3390 1 1 1 LYS CG C -8.824 4.603 3.919 1.00 . A A . 1 LYS CG 1 1 13 3391 1 1 1 LYS H1 H -6.012 3.534 1.656 1.00 . A A . 1 LYS H1 1 1 13 3392 1 1 1 LYS H2 H -5.677 5.113 2.236 1.00 . A A . 1 LYS H2 1 1 13 3393 1 1 1 LYS H3 H -7.298 4.615 1.983 1.00 . A A . 1 LYS H3 1 1 13 3394 1 1 1 LYS HA H -5.435 3.906 4.089 1.00 . A A . 1 LYS HA 1 1 13 3395 1 1 1 LYS HB2 H -7.408 4.308 5.469 1.00 . A A . 1 LYS HB2 1 1 13 3396 1 1 1 LYS HB3 H -7.070 5.684 4.433 1.00 . A A . 1 LYS HB3 1 1 13 3397 1 1 1 LYS HD2 H -9.592 6.326 4.912 1.00 . A A . 1 LYS HD2 1 1 13 3398 1 1 1 LYS HD3 H -8.815 6.661 3.364 1.00 . A A . 1 LYS HD3 1 1 13 3399 1 1 1 LYS HE2 H -11.069 6.961 2.898 1.00 . A A . 1 LYS HE2 1 1 13 3400 1 1 1 LYS HE3 H -10.762 5.315 2.346 1.00 . A A . 1 LYS HE3 1 1 13 3401 1 1 1 LYS HG2 H -8.812 4.207 2.916 1.00 . A A . 1 LYS HG2 1 1 13 3402 1 1 1 LYS HG3 H -9.410 3.955 4.555 1.00 . A A . 1 LYS HG3 1 1 13 3403 1 1 1 LYS HZ1 H -11.548 4.634 4.653 1.00 . A A . 1 LYS HZ1 1 1 13 3404 1 1 1 LYS HZ2 H -12.724 5.172 3.564 1.00 . A A . 1 LYS HZ2 1 1 13 3405 1 1 1 LYS HZ3 H -12.171 6.202 4.786 1.00 . A A . 1 LYS HZ3 1 1 13 3406 1 1 1 LYS N N -6.344 4.314 2.256 1.00 . A A . 1 LYS N 1 1 13 3407 1 1 1 LYS NZ N -11.891 5.457 4.117 1.00 . A A . 1 LYS NZ 1 1 13 3408 1 1 1 LYS O O -6.433 1.618 4.620 1.00 . A A . 1 LYS O 1 1 13 3409 1 1 2 TRP C C -7.286 -0.530 2.218 1.00 . A A . 2 TRP C 1 1 13 3410 1 1 2 TRP CA C -8.181 0.634 2.716 1.00 . A A . 2 TRP CA 1 1 13 3411 1 1 2 TRP CB C -9.521 0.629 1.999 1.00 . A A . 2 TRP CB 1 1 13 3412 1 1 2 TRP CD1 C -10.739 2.532 0.921 1.00 . A A . 2 TRP CD1 1 1 13 3413 1 1 2 TRP CD2 C -8.634 2.340 0.363 1.00 . A A . 2 TRP CD2 1 1 13 3414 1 1 2 TRP CE2 C -9.142 3.421 -0.345 1.00 . A A . 2 TRP CE2 1 1 13 3415 1 1 2 TRP CE3 C -7.327 1.983 0.238 1.00 . A A . 2 TRP CE3 1 1 13 3416 1 1 2 TRP CG C -9.665 1.785 1.114 1.00 . A A . 2 TRP CG 1 1 13 3417 1 1 2 TRP CH2 C -7.030 3.797 -1.311 1.00 . A A . 2 TRP CH2 1 1 13 3418 1 1 2 TRP CZ2 C -8.347 4.172 -1.204 1.00 . A A . 2 TRP CZ2 1 1 13 3419 1 1 2 TRP CZ3 C -6.529 2.706 -0.582 1.00 . A A . 2 TRP CZ3 1 1 13 3420 1 1 2 TRP H H -7.932 2.650 2.134 1.00 . A A . 2 TRP H 1 1 13 3421 1 1 2 TRP HA H -8.372 0.444 3.696 1.00 . A A . 2 TRP HA 1 1 13 3422 1 1 2 TRP HB2 H -9.605 -0.257 1.401 1.00 . A A . 2 TRP HB2 1 1 13 3423 1 1 2 TRP HB3 H -10.316 0.658 2.722 1.00 . A A . 2 TRP HB3 1 1 13 3424 1 1 2 TRP HD1 H -11.658 2.345 1.411 1.00 . A A . 2 TRP HD1 1 1 13 3425 1 1 2 TRP HE1 H -11.087 4.184 -0.320 1.00 . A A . 2 TRP HE1 1 1 13 3426 1 1 2 TRP HE3 H -6.931 1.149 0.820 1.00 . A A . 2 TRP HE3 1 1 13 3427 1 1 2 TRP HH2 H -6.357 4.345 -1.954 1.00 . A A . 2 TRP HH2 1 1 13 3428 1 1 2 TRP HZ2 H -8.731 5.010 -1.764 1.00 . A A . 2 TRP HZ2 1 1 13 3429 1 1 2 TRP HZ3 H -5.508 2.434 -0.662 1.00 . A A . 2 TRP HZ3 1 1 13 3430 1 1 2 TRP N N -7.628 1.979 2.766 1.00 . A A . 2 TRP N 1 1 13 3431 1 1 2 TRP NE1 N -10.461 3.524 0.006 1.00 . A A . 2 TRP NE1 1 1 13 3432 1 1 2 TRP O O -6.444 -1.022 2.968 1.00 . A A . 2 TRP O 1 1 13 3433 1 1 3 LYS C C -5.545 -1.818 -0.259 1.00 . A A . 3 LYS C 1 1 13 3434 1 1 3 LYS CA C -6.802 -2.193 0.464 1.00 . A A . 3 LYS CA 1 1 13 3435 1 1 3 LYS CB C -7.706 -3.019 -0.454 1.00 . A A . 3 LYS CB 1 1 13 3436 1 1 3 LYS CD C -8.605 -4.807 1.061 1.00 . A A . 3 LYS CD 1 1 13 3437 1 1 3 LYS CE C -9.856 -5.440 1.652 1.00 . A A . 3 LYS CE 1 1 13 3438 1 1 3 LYS CG C -8.939 -3.571 0.243 1.00 . A A . 3 LYS CG 1 1 13 3439 1 1 3 LYS H H -8.225 -0.640 0.434 1.00 . A A . 3 LYS H 1 1 13 3440 1 1 3 LYS HA H -6.528 -2.779 1.297 1.00 . A A . 3 LYS HA 1 1 13 3441 1 1 3 LYS HB2 H -8.033 -2.395 -1.273 1.00 . A A . 3 LYS HB2 1 1 13 3442 1 1 3 LYS HB3 H -7.138 -3.848 -0.848 1.00 . A A . 3 LYS HB3 1 1 13 3443 1 1 3 LYS HD2 H -8.117 -5.528 0.422 1.00 . A A . 3 LYS HD2 1 1 13 3444 1 1 3 LYS HD3 H -7.940 -4.526 1.864 1.00 . A A . 3 LYS HD3 1 1 13 3445 1 1 3 LYS HE2 H -9.728 -5.526 2.721 1.00 . A A . 3 LYS HE2 1 1 13 3446 1 1 3 LYS HE3 H -10.701 -4.803 1.441 1.00 . A A . 3 LYS HE3 1 1 13 3447 1 1 3 LYS HG2 H -9.341 -2.815 0.899 1.00 . A A . 3 LYS HG2 1 1 13 3448 1 1 3 LYS HG3 H -9.675 -3.832 -0.504 1.00 . A A . 3 LYS HG3 1 1 13 3449 1 1 3 LYS HZ1 H -9.501 -7.497 1.548 1.00 . A A . 3 LYS HZ1 1 1 13 3450 1 1 3 LYS HZ2 H -9.916 -6.797 0.065 1.00 . A A . 3 LYS HZ2 1 1 13 3451 1 1 3 LYS HZ3 H -11.106 -7.061 1.235 1.00 . A A . 3 LYS HZ3 1 1 13 3452 1 1 3 LYS N N -7.526 -1.028 0.984 1.00 . A A . 3 LYS N 1 1 13 3453 1 1 3 LYS NZ N -10.113 -6.793 1.085 1.00 . A A . 3 LYS NZ 1 1 13 3454 1 1 3 LYS O O -4.679 -2.648 -0.528 1.00 . A A . 3 LYS O 1 1 13 3455 1 1 4 LEU C C -3.362 0.561 -0.142 1.00 . A A . 4 LEU C 1 1 13 3456 1 1 4 LEU CA C -4.280 -0.036 -1.184 1.00 . A A . 4 LEU CA 1 1 13 3457 1 1 4 LEU CB C -4.643 1.005 -2.201 1.00 . A A . 4 LEU CB 1 1 13 3458 1 1 4 LEU CD1 C -5.445 -0.140 -4.283 1.00 . A A . 4 LEU CD1 1 1 13 3459 1 1 4 LEU CD2 C -4.028 1.914 -4.455 1.00 . A A . 4 LEU CD2 1 1 13 3460 1 1 4 LEU CG C -4.312 0.653 -3.652 1.00 . A A . 4 LEU CG 1 1 13 3461 1 1 4 LEU H H -6.160 0.016 -0.255 1.00 . A A . 4 LEU H 1 1 13 3462 1 1 4 LEU HA H -3.778 -0.852 -1.678 1.00 . A A . 4 LEU HA 1 1 13 3463 1 1 4 LEU HB2 H -5.701 1.188 -2.121 1.00 . A A . 4 LEU HB2 1 1 13 3464 1 1 4 LEU HB3 H -4.106 1.895 -1.934 1.00 . A A . 4 LEU HB3 1 1 13 3465 1 1 4 LEU HD11 H -5.432 -1.150 -3.902 1.00 . A A . 4 LEU HD11 1 1 13 3466 1 1 4 LEU HD12 H -5.318 -0.158 -5.356 1.00 . A A . 4 LEU HD12 1 1 13 3467 1 1 4 LEU HD13 H -6.388 0.327 -4.040 1.00 . A A . 4 LEU HD13 1 1 13 3468 1 1 4 LEU HD21 H -4.837 2.617 -4.319 1.00 . A A . 4 LEU HD21 1 1 13 3469 1 1 4 LEU HD22 H -3.943 1.662 -5.502 1.00 . A A . 4 LEU HD22 1 1 13 3470 1 1 4 LEU HD23 H -3.105 2.358 -4.116 1.00 . A A . 4 LEU HD23 1 1 13 3471 1 1 4 LEU HG H -3.423 0.038 -3.671 1.00 . A A . 4 LEU HG 1 1 13 3472 1 1 4 LEU N N -5.446 -0.568 -0.533 1.00 . A A . 4 LEU N 1 1 13 3473 1 1 4 LEU O O -2.146 0.569 -0.310 1.00 . A A . 4 LEU O 1 1 13 3474 1 1 5 PHE C C -2.262 0.416 2.554 1.00 . A A . 5 PHE C 1 1 13 3475 1 1 5 PHE CA C -3.134 1.535 2.058 1.00 . A A . 5 PHE CA 1 1 13 3476 1 1 5 PHE CB C -4.006 2.062 3.183 1.00 . A A . 5 PHE CB 1 1 13 3477 1 1 5 PHE CD1 C -2.880 1.866 5.422 1.00 . A A . 5 PHE CD1 1 1 13 3478 1 1 5 PHE CD2 C -2.754 3.945 4.263 1.00 . A A . 5 PHE CD2 1 1 13 3479 1 1 5 PHE CE1 C -2.112 2.389 6.447 1.00 . A A . 5 PHE CE1 1 1 13 3480 1 1 5 PHE CE2 C -1.991 4.476 5.285 1.00 . A A . 5 PHE CE2 1 1 13 3481 1 1 5 PHE CG C -3.208 2.638 4.320 1.00 . A A . 5 PHE CG 1 1 13 3482 1 1 5 PHE CZ C -1.668 3.697 6.379 1.00 . A A . 5 PHE CZ 1 1 13 3483 1 1 5 PHE H H -4.917 0.925 1.100 1.00 . A A . 5 PHE H 1 1 13 3484 1 1 5 PHE HA H -2.514 2.326 1.668 1.00 . A A . 5 PHE HA 1 1 13 3485 1 1 5 PHE HB2 H -4.632 2.835 2.784 1.00 . A A . 5 PHE HB2 1 1 13 3486 1 1 5 PHE HB3 H -4.628 1.256 3.563 1.00 . A A . 5 PHE HB3 1 1 13 3487 1 1 5 PHE HD1 H -3.228 0.845 5.478 1.00 . A A . 5 PHE HD1 1 1 13 3488 1 1 5 PHE HD2 H -3.007 4.556 3.408 1.00 . A A . 5 PHE HD2 1 1 13 3489 1 1 5 PHE HE1 H -1.864 1.777 7.301 1.00 . A A . 5 PHE HE1 1 1 13 3490 1 1 5 PHE HE2 H -1.645 5.497 5.228 1.00 . A A . 5 PHE HE2 1 1 13 3491 1 1 5 PHE HZ H -1.069 4.106 7.178 1.00 . A A . 5 PHE HZ 1 1 13 3492 1 1 5 PHE N N -3.941 1.006 0.979 1.00 . A A . 5 PHE N 1 1 13 3493 1 1 5 PHE O O -1.188 0.620 3.121 1.00 . A A . 5 PHE O 1 1 13 3494 1 1 6 LYS C C -1.087 -2.299 1.466 1.00 . A A . 6 LYS C 1 1 13 3495 1 1 6 LYS CA C -2.051 -1.982 2.596 1.00 . A A . 6 LYS CA 1 1 13 3496 1 1 6 LYS CB C -3.051 -3.116 2.838 1.00 . A A . 6 LYS CB 1 1 13 3497 1 1 6 LYS CD C -3.661 -5.249 1.658 1.00 . A A . 6 LYS CD 1 1 13 3498 1 1 6 LYS CE C -2.263 -5.841 1.596 1.00 . A A . 6 LYS CE 1 1 13 3499 1 1 6 LYS CG C -3.628 -3.731 1.576 1.00 . A A . 6 LYS CG 1 1 13 3500 1 1 6 LYS H H -3.572 -0.841 1.777 1.00 . A A . 6 LYS H 1 1 13 3501 1 1 6 LYS HA H -1.499 -1.798 3.493 1.00 . A A . 6 LYS HA 1 1 13 3502 1 1 6 LYS HB2 H -2.564 -3.895 3.403 1.00 . A A . 6 LYS HB2 1 1 13 3503 1 1 6 LYS HB3 H -3.873 -2.720 3.420 1.00 . A A . 6 LYS HB3 1 1 13 3504 1 1 6 LYS HD2 H -4.121 -5.538 2.590 1.00 . A A . 6 LYS HD2 1 1 13 3505 1 1 6 LYS HD3 H -4.242 -5.633 0.832 1.00 . A A . 6 LYS HD3 1 1 13 3506 1 1 6 LYS HE2 H -1.579 -5.085 1.238 1.00 . A A . 6 LYS HE2 1 1 13 3507 1 1 6 LYS HE3 H -1.971 -6.147 2.591 1.00 . A A . 6 LYS HE3 1 1 13 3508 1 1 6 LYS HG2 H -4.638 -3.366 1.445 1.00 . A A . 6 LYS HG2 1 1 13 3509 1 1 6 LYS HG3 H -3.025 -3.437 0.728 1.00 . A A . 6 LYS HG3 1 1 13 3510 1 1 6 LYS HZ1 H -2.801 -6.863 -0.144 1.00 . A A . 6 LYS HZ1 1 1 13 3511 1 1 6 LYS HZ2 H -2.526 -7.872 1.184 1.00 . A A . 6 LYS HZ2 1 1 13 3512 1 1 6 LYS HZ3 H -1.219 -7.173 0.370 1.00 . A A . 6 LYS HZ3 1 1 13 3513 1 1 6 LYS N N -2.739 -0.779 2.265 1.00 . A A . 6 LYS N 1 1 13 3514 1 1 6 LYS NZ N -2.198 -7.020 0.687 1.00 . A A . 6 LYS NZ 1 1 13 3515 1 1 6 LYS O O -0.031 -2.893 1.682 1.00 . A A . 6 LYS O 1 1 13 3516 1 1 7 LYS C C 0.435 -0.920 -0.952 1.00 . A A . 7 LYS C 1 1 13 3517 1 1 7 LYS CA C -0.571 -2.041 -0.889 1.00 . A A . 7 LYS CA 1 1 13 3518 1 1 7 LYS CB C -1.374 -2.121 -2.189 1.00 . A A . 7 LYS CB 1 1 13 3519 1 1 7 LYS CD C 0.209 -2.796 -4.021 1.00 . A A . 7 LYS CD 1 1 13 3520 1 1 7 LYS CE C -0.230 -1.682 -4.956 1.00 . A A . 7 LYS CE 1 1 13 3521 1 1 7 LYS CG C -0.927 -3.241 -3.114 1.00 . A A . 7 LYS CG 1 1 13 3522 1 1 7 LYS H H -2.283 -1.334 0.133 1.00 . A A . 7 LYS H 1 1 13 3523 1 1 7 LYS HA H -0.031 -2.949 -0.744 1.00 . A A . 7 LYS HA 1 1 13 3524 1 1 7 LYS HB2 H -2.415 -2.279 -1.946 1.00 . A A . 7 LYS HB2 1 1 13 3525 1 1 7 LYS HB3 H -1.276 -1.185 -2.719 1.00 . A A . 7 LYS HB3 1 1 13 3526 1 1 7 LYS HD2 H 1.025 -2.439 -3.409 1.00 . A A . 7 LYS HD2 1 1 13 3527 1 1 7 LYS HD3 H 0.540 -3.639 -4.609 1.00 . A A . 7 LYS HD3 1 1 13 3528 1 1 7 LYS HE2 H -1.260 -1.851 -5.236 1.00 . A A . 7 LYS HE2 1 1 13 3529 1 1 7 LYS HE3 H -0.151 -0.738 -4.435 1.00 . A A . 7 LYS HE3 1 1 13 3530 1 1 7 LYS HG2 H -0.592 -4.076 -2.518 1.00 . A A . 7 LYS HG2 1 1 13 3531 1 1 7 LYS HG3 H -1.764 -3.546 -3.725 1.00 . A A . 7 LYS HG3 1 1 13 3532 1 1 7 LYS HZ1 H 0.091 -2.055 -6.985 1.00 . A A . 7 LYS HZ1 1 1 13 3533 1 1 7 LYS HZ2 H 1.493 -2.146 -6.044 1.00 . A A . 7 LYS HZ2 1 1 13 3534 1 1 7 LYS HZ3 H 0.827 -0.638 -6.425 1.00 . A A . 7 LYS HZ3 1 1 13 3535 1 1 7 LYS N N -1.438 -1.846 0.252 1.00 . A A . 7 LYS N 1 1 13 3536 1 1 7 LYS NZ N 0.603 -1.626 -6.189 1.00 . A A . 7 LYS NZ 1 1 13 3537 1 1 7 LYS O O 1.374 -0.955 -1.746 1.00 . A A . 7 LYS O 1 1 13 3538 1 1 8 ILE C C 2.211 1.006 0.999 1.00 . A A . 8 ILE C 1 1 13 3539 1 1 8 ILE CA C 1.147 1.195 -0.065 1.00 . A A . 8 ILE CA 1 1 13 3540 1 1 8 ILE CB C 0.391 2.524 0.158 1.00 . A A . 8 ILE CB 1 1 13 3541 1 1 8 ILE CD1 C -1.398 4.002 -0.878 1.00 . A A . 8 ILE CD1 1 1 13 3542 1 1 8 ILE CG1 C -0.378 2.910 -1.106 1.00 . A A . 8 ILE CG1 1 1 13 3543 1 1 8 ILE CG2 C 1.351 3.637 0.562 1.00 . A A . 8 ILE CG2 1 1 13 3544 1 1 8 ILE H H -0.523 0.050 0.526 1.00 . A A . 8 ILE H 1 1 13 3545 1 1 8 ILE HA H 1.625 1.220 -1.015 1.00 . A A . 8 ILE HA 1 1 13 3546 1 1 8 ILE HB H -0.314 2.377 0.965 1.00 . A A . 8 ILE HB 1 1 13 3547 1 1 8 ILE HD11 H -2.090 4.027 -1.706 1.00 . A A . 8 ILE HD11 1 1 13 3548 1 1 8 ILE HD12 H -0.895 4.954 -0.802 1.00 . A A . 8 ILE HD12 1 1 13 3549 1 1 8 ILE HD13 H -1.938 3.805 0.037 1.00 . A A . 8 ILE HD13 1 1 13 3550 1 1 8 ILE HG12 H 0.321 3.259 -1.853 1.00 . A A . 8 ILE HG12 1 1 13 3551 1 1 8 ILE HG13 H -0.897 2.041 -1.483 1.00 . A A . 8 ILE HG13 1 1 13 3552 1 1 8 ILE HG21 H 1.706 3.455 1.566 1.00 . A A . 8 ILE HG21 1 1 13 3553 1 1 8 ILE HG22 H 0.836 4.586 0.527 1.00 . A A . 8 ILE HG22 1 1 13 3554 1 1 8 ILE HG23 H 2.187 3.655 -0.119 1.00 . A A . 8 ILE HG23 1 1 13 3555 1 1 8 ILE N N 0.242 0.075 -0.096 1.00 . A A . 8 ILE N 1 1 13 3556 1 1 8 ILE O O 3.359 1.420 0.835 1.00 . A A . 8 ILE O 1 1 13 3557 1 1 9 GLY C C 3.853 -0.836 2.703 1.00 . A A . 9 GLY C 1 1 13 3558 1 1 9 GLY CA C 2.748 0.094 3.151 1.00 . A A . 9 GLY CA 1 1 13 3559 1 1 9 GLY H H 0.899 0.046 2.126 1.00 . A A . 9 GLY H 1 1 13 3560 1 1 9 GLY HA2 H 3.182 1.028 3.481 1.00 . A A . 9 GLY HA2 1 1 13 3561 1 1 9 GLY HA3 H 2.217 -0.361 3.973 1.00 . A A . 9 GLY HA3 1 1 13 3562 1 1 9 GLY N N 1.821 0.359 2.075 1.00 . A A . 9 GLY N 1 1 13 3563 1 1 9 GLY O O 5.012 -0.694 3.097 1.00 . A A . 9 GLY O 1 1 13 3564 1 1 10 ALA C C 5.386 -2.036 0.345 1.00 . A A . 10 ALA C 1 1 13 3565 1 1 10 ALA CA C 4.512 -2.710 1.372 1.00 . A A . 10 ALA CA 1 1 13 3566 1 1 10 ALA CB C 3.893 -3.979 0.813 1.00 . A A . 10 ALA CB 1 1 13 3567 1 1 10 ALA H H 2.586 -1.866 1.548 1.00 . A A . 10 ALA H 1 1 13 3568 1 1 10 ALA HA H 5.134 -2.965 2.219 1.00 . A A . 10 ALA HA 1 1 13 3569 1 1 10 ALA HB1 H 3.812 -4.717 1.599 1.00 . A A . 10 ALA HB1 1 1 13 3570 1 1 10 ALA HB2 H 4.523 -4.362 0.022 1.00 . A A . 10 ALA HB2 1 1 13 3571 1 1 10 ALA HB3 H 2.912 -3.761 0.421 1.00 . A A . 10 ALA HB3 1 1 13 3572 1 1 10 ALA N N 3.512 -1.791 1.856 1.00 . A A . 10 ALA N 1 1 13 3573 1 1 10 ALA O O 6.588 -2.280 0.299 1.00 . A A . 10 ALA O 1 1 13 3574 1 1 11 VAL C C 6.731 0.270 -0.646 1.00 . A A . 11 VAL C 1 1 13 3575 1 1 11 VAL CA C 5.613 -0.417 -1.412 1.00 . A A . 11 VAL CA 1 1 13 3576 1 1 11 VAL CB C 4.801 0.621 -2.199 1.00 . A A . 11 VAL CB 1 1 13 3577 1 1 11 VAL CG1 C 5.697 1.368 -3.172 1.00 . A A . 11 VAL CG1 1 1 13 3578 1 1 11 VAL CG2 C 3.648 -0.050 -2.924 1.00 . A A . 11 VAL CG2 1 1 13 3579 1 1 11 VAL H H 3.850 -0.944 -0.359 1.00 . A A . 11 VAL H 1 1 13 3580 1 1 11 VAL HA H 6.040 -1.135 -2.096 1.00 . A A . 11 VAL HA 1 1 13 3581 1 1 11 VAL HB H 4.392 1.336 -1.499 1.00 . A A . 11 VAL HB 1 1 13 3582 1 1 11 VAL HG11 H 5.464 2.421 -3.142 1.00 . A A . 11 VAL HG11 1 1 13 3583 1 1 11 VAL HG12 H 5.538 0.991 -4.171 1.00 . A A . 11 VAL HG12 1 1 13 3584 1 1 11 VAL HG13 H 6.731 1.220 -2.892 1.00 . A A . 11 VAL HG13 1 1 13 3585 1 1 11 VAL HG21 H 3.887 -0.142 -3.973 1.00 . A A . 11 VAL HG21 1 1 13 3586 1 1 11 VAL HG22 H 2.754 0.546 -2.808 1.00 . A A . 11 VAL HG22 1 1 13 3587 1 1 11 VAL HG23 H 3.483 -1.031 -2.505 1.00 . A A . 11 VAL HG23 1 1 13 3588 1 1 11 VAL N N 4.807 -1.143 -0.450 1.00 . A A . 11 VAL N 1 1 13 3589 1 1 11 VAL O O 7.850 0.421 -1.135 1.00 . A A . 11 VAL O 1 1 13 3590 1 1 12 LEU C C 8.599 0.329 1.561 1.00 . A A . 12 LEU C 1 1 13 3591 1 1 12 LEU CA C 7.369 1.215 1.509 1.00 . A A . 12 LEU CA 1 1 13 3592 1 1 12 LEU CB C 6.748 1.280 2.901 1.00 . A A . 12 LEU CB 1 1 13 3593 1 1 12 LEU CD1 C 6.853 3.134 4.590 1.00 . A A . 12 LEU CD1 1 1 13 3594 1 1 12 LEU CD2 C 8.013 0.963 5.045 1.00 . A A . 12 LEU CD2 1 1 13 3595 1 1 12 LEU CG C 7.604 1.962 3.971 1.00 . A A . 12 LEU CG 1 1 13 3596 1 1 12 LEU H H 5.512 0.417 0.929 1.00 . A A . 12 LEU H 1 1 13 3597 1 1 12 LEU HA H 7.628 2.204 1.165 1.00 . A A . 12 LEU HA 1 1 13 3598 1 1 12 LEU HB2 H 5.804 1.801 2.827 1.00 . A A . 12 LEU HB2 1 1 13 3599 1 1 12 LEU HB3 H 6.551 0.257 3.218 1.00 . A A . 12 LEU HB3 1 1 13 3600 1 1 12 LEU HD11 H 6.175 2.766 5.346 1.00 . A A . 12 LEU HD11 1 1 13 3601 1 1 12 LEU HD12 H 6.293 3.647 3.823 1.00 . A A . 12 LEU HD12 1 1 13 3602 1 1 12 LEU HD13 H 7.558 3.816 5.039 1.00 . A A . 12 LEU HD13 1 1 13 3603 1 1 12 LEU HD21 H 9.006 0.593 4.832 1.00 . A A . 12 LEU HD21 1 1 13 3604 1 1 12 LEU HD22 H 7.316 0.138 5.054 1.00 . A A . 12 LEU HD22 1 1 13 3605 1 1 12 LEU HD23 H 8.010 1.449 6.010 1.00 . A A . 12 LEU HD23 1 1 13 3606 1 1 12 LEU HG H 8.502 2.348 3.512 1.00 . A A . 12 LEU HG 1 1 13 3607 1 1 12 LEU N N 6.413 0.617 0.598 1.00 . A A . 12 LEU N 1 1 13 3608 1 1 12 LEU O O 9.733 0.794 1.679 1.00 . A A . 12 LEU O 1 1 13 3609 1 1 13 LYS C C 10.036 -2.069 0.117 1.00 . A A . 13 LYS C 1 1 13 3610 1 1 13 LYS CA C 9.359 -1.988 1.473 1.00 . A A . 13 LYS CA 1 1 13 3611 1 1 13 LYS CB C 8.733 -3.339 1.808 1.00 . A A . 13 LYS CB 1 1 13 3612 1 1 13 LYS CD C 10.286 -4.438 3.450 1.00 . A A . 13 LYS CD 1 1 13 3613 1 1 13 LYS CE C 10.971 -5.750 3.797 1.00 . A A . 13 LYS CE 1 1 13 3614 1 1 13 LYS CG C 9.750 -4.447 2.027 1.00 . A A . 13 LYS CG 1 1 13 3615 1 1 13 LYS H H 7.393 -1.243 1.352 1.00 . A A . 13 LYS H 1 1 13 3616 1 1 13 LYS HA H 10.079 -1.728 2.227 1.00 . A A . 13 LYS HA 1 1 13 3617 1 1 13 LYS HB2 H 8.142 -3.238 2.705 1.00 . A A . 13 LYS HB2 1 1 13 3618 1 1 13 LYS HB3 H 8.085 -3.629 0.990 1.00 . A A . 13 LYS HB3 1 1 13 3619 1 1 13 LYS HD2 H 10.999 -3.634 3.551 1.00 . A A . 13 LYS HD2 1 1 13 3620 1 1 13 LYS HD3 H 9.463 -4.281 4.133 1.00 . A A . 13 LYS HD3 1 1 13 3621 1 1 13 LYS HE2 H 10.615 -6.084 4.760 1.00 . A A . 13 LYS HE2 1 1 13 3622 1 1 13 LYS HE3 H 10.719 -6.484 3.046 1.00 . A A . 13 LYS HE3 1 1 13 3623 1 1 13 LYS HG2 H 9.278 -5.399 1.838 1.00 . A A . 13 LYS HG2 1 1 13 3624 1 1 13 LYS HG3 H 10.573 -4.308 1.342 1.00 . A A . 13 LYS HG3 1 1 13 3625 1 1 13 LYS HZ1 H 12.764 -5.499 4.841 1.00 . A A . 13 LYS HZ1 1 1 13 3626 1 1 13 LYS HZ2 H 12.752 -4.769 3.315 1.00 . A A . 13 LYS HZ2 1 1 13 3627 1 1 13 LYS HZ3 H 12.910 -6.447 3.448 1.00 . A A . 13 LYS HZ3 1 1 13 3628 1 1 13 LYS N N 8.330 -0.965 1.455 1.00 . A A . 13 LYS N 1 1 13 3629 1 1 13 LYS NZ N 12.453 -5.606 3.854 1.00 . A A . 13 LYS NZ 1 1 13 3630 1 1 13 LYS O O 11.250 -2.240 0.011 1.00 . A A . 13 LYS O 1 1 13 3631 1 1 14 VAL C C 10.401 -0.699 -2.659 1.00 . A A . 14 VAL C 1 1 13 3632 1 1 14 VAL CA C 9.678 -1.990 -2.284 1.00 . A A . 14 VAL CA 1 1 13 3633 1 1 14 VAL CB C 8.475 -2.226 -3.221 1.00 . A A . 14 VAL CB 1 1 13 3634 1 1 14 VAL CG1 C 8.723 -1.670 -4.619 1.00 . A A . 14 VAL CG1 1 1 13 3635 1 1 14 VAL CG2 C 8.137 -3.707 -3.286 1.00 . A A . 14 VAL CG2 1 1 13 3636 1 1 14 VAL H H 8.268 -1.804 -0.750 1.00 . A A . 14 VAL H 1 1 13 3637 1 1 14 VAL HA H 10.350 -2.815 -2.373 1.00 . A A . 14 VAL HA 1 1 13 3638 1 1 14 VAL HB H 7.625 -1.709 -2.794 1.00 . A A . 14 VAL HB 1 1 13 3639 1 1 14 VAL HG11 H 7.946 -2.014 -5.286 1.00 . A A . 14 VAL HG11 1 1 13 3640 1 1 14 VAL HG12 H 9.683 -2.013 -4.979 1.00 . A A . 14 VAL HG12 1 1 13 3641 1 1 14 VAL HG13 H 8.715 -0.591 -4.586 1.00 . A A . 14 VAL HG13 1 1 13 3642 1 1 14 VAL HG21 H 7.501 -3.967 -2.453 1.00 . A A . 14 VAL HG21 1 1 13 3643 1 1 14 VAL HG22 H 9.046 -4.286 -3.239 1.00 . A A . 14 VAL HG22 1 1 13 3644 1 1 14 VAL HG23 H 7.622 -3.919 -4.212 1.00 . A A . 14 VAL HG23 1 1 13 3645 1 1 14 VAL N N 9.218 -1.941 -0.915 1.00 . A A . 14 VAL N 1 1 13 3646 1 1 14 VAL O O 11.020 -0.596 -3.719 1.00 . A A . 14 VAL O 1 1 13 3647 1 1 15 LEU C C 12.423 1.526 -1.681 1.00 . A A . 15 LEU C 1 1 13 3648 1 1 15 LEU CA C 10.925 1.577 -1.973 1.00 . A A . 15 LEU CA 1 1 13 3649 1 1 15 LEU CB C 10.240 2.594 -1.065 1.00 . A A . 15 LEU CB 1 1 13 3650 1 1 15 LEU CD1 C 8.847 3.672 -2.848 1.00 . A A . 15 LEU CD1 1 1 13 3651 1 1 15 LEU CD2 C 9.302 4.891 -0.713 1.00 . A A . 15 LEU CD2 1 1 13 3652 1 1 15 LEU CG C 9.857 3.913 -1.738 1.00 . A A . 15 LEU CG 1 1 13 3653 1 1 15 LEU H H 9.794 0.125 -0.955 1.00 . A A . 15 LEU H 1 1 13 3654 1 1 15 LEU HA H 10.776 1.867 -3.002 1.00 . A A . 15 LEU HA 1 1 13 3655 1 1 15 LEU HB2 H 9.339 2.135 -0.674 1.00 . A A . 15 LEU HB2 1 1 13 3656 1 1 15 LEU HB3 H 10.899 2.814 -0.238 1.00 . A A . 15 LEU HB3 1 1 13 3657 1 1 15 LEU HD11 H 9.365 3.569 -3.790 1.00 . A A . 15 LEU HD11 1 1 13 3658 1 1 15 LEU HD12 H 8.165 4.506 -2.902 1.00 . A A . 15 LEU HD12 1 1 13 3659 1 1 15 LEU HD13 H 8.294 2.767 -2.641 1.00 . A A . 15 LEU HD13 1 1 13 3660 1 1 15 LEU HD21 H 8.489 4.427 -0.175 1.00 . A A . 15 LEU HD21 1 1 13 3661 1 1 15 LEU HD22 H 8.942 5.776 -1.218 1.00 . A A . 15 LEU HD22 1 1 13 3662 1 1 15 LEU HD23 H 10.082 5.166 -0.019 1.00 . A A . 15 LEU HD23 1 1 13 3663 1 1 15 LEU HG H 10.738 4.354 -2.179 1.00 . A A . 15 LEU HG 1 1 13 3664 1 1 15 LEU N N 10.306 0.279 -1.774 1.00 . A A . 15 LEU N 1 1 13 3665 1 1 15 LEU O O 13.196 2.142 -2.446 1.00 . A A . 15 LEU O 1 1 13 3666 1 1 15 LEU OXT O 12.810 0.875 -0.688 1.00 . A A . 15 LEU OXT 1 1 14 3667 1 1 1 LYS C C -6.700 2.160 3.996 1.00 . A A . 1 LYS C 1 1 14 3668 1 1 1 LYS CA C -6.357 3.653 3.994 1.00 . A A . 1 LYS CA 1 1 14 3669 1 1 1 LYS CB C -6.005 4.129 2.581 1.00 . A A . 1 LYS CB 1 1 14 3670 1 1 1 LYS CD C -6.381 6.587 2.885 1.00 . A A . 1 LYS CD 1 1 14 3671 1 1 1 LYS CE C -7.574 7.433 3.294 1.00 . A A . 1 LYS CE 1 1 14 3672 1 1 1 LYS CG C -6.809 5.336 2.136 1.00 . A A . 1 LYS CG 1 1 14 3673 1 1 1 LYS H1 H -4.380 4.151 4.332 1.00 . A A . 1 LYS H1 1 1 14 3674 1 1 1 LYS H2 H -5.077 3.138 5.527 1.00 . A A . 1 LYS H2 1 1 14 3675 1 1 1 LYS H3 H -5.487 4.802 5.465 1.00 . A A . 1 LYS H3 1 1 14 3676 1 1 1 LYS HA H -7.222 4.199 4.340 1.00 . A A . 1 LYS HA 1 1 14 3677 1 1 1 LYS HB2 H -4.958 4.392 2.551 1.00 . A A . 1 LYS HB2 1 1 14 3678 1 1 1 LYS HB3 H -6.184 3.326 1.887 1.00 . A A . 1 LYS HB3 1 1 14 3679 1 1 1 LYS HD2 H -5.841 6.294 3.774 1.00 . A A . 1 LYS HD2 1 1 14 3680 1 1 1 LYS HD3 H -5.736 7.172 2.245 1.00 . A A . 1 LYS HD3 1 1 14 3681 1 1 1 LYS HE2 H -7.949 7.950 2.423 1.00 . A A . 1 LYS HE2 1 1 14 3682 1 1 1 LYS HE3 H -8.343 6.783 3.685 1.00 . A A . 1 LYS HE3 1 1 14 3683 1 1 1 LYS HG2 H -6.658 5.489 1.078 1.00 . A A . 1 LYS HG2 1 1 14 3684 1 1 1 LYS HG3 H -7.857 5.150 2.331 1.00 . A A . 1 LYS HG3 1 1 14 3685 1 1 1 LYS HZ1 H -6.433 8.074 4.922 1.00 . A A . 1 LYS HZ1 1 1 14 3686 1 1 1 LYS HZ2 H -8.030 8.632 4.942 1.00 . A A . 1 LYS HZ2 1 1 14 3687 1 1 1 LYS HZ3 H -6.907 9.324 3.883 1.00 . A A . 1 LYS HZ3 1 1 14 3688 1 1 1 LYS N N -5.223 3.963 4.912 1.00 . A A . 1 LYS N 1 1 14 3689 1 1 1 LYS NZ N -7.211 8.437 4.333 1.00 . A A . 1 LYS NZ 1 1 14 3690 1 1 1 LYS O O -6.236 1.407 4.852 1.00 . A A . 1 LYS O 1 1 14 3691 1 1 2 TRP C C -7.127 -0.739 2.489 1.00 . A A . 2 TRP C 1 1 14 3692 1 1 2 TRP CA C -8.060 0.379 3.017 1.00 . A A . 2 TRP CA 1 1 14 3693 1 1 2 TRP CB C -9.420 0.314 2.338 1.00 . A A . 2 TRP CB 1 1 14 3694 1 1 2 TRP CD1 C -10.769 2.143 1.287 1.00 . A A . 2 TRP CD1 1 1 14 3695 1 1 2 TRP CD2 C -8.672 2.058 0.672 1.00 . A A . 2 TRP CD2 1 1 14 3696 1 1 2 TRP CE2 C -9.258 3.106 -0.031 1.00 . A A . 2 TRP CE2 1 1 14 3697 1 1 2 TRP CE3 C -7.353 1.770 0.513 1.00 . A A . 2 TRP CE3 1 1 14 3698 1 1 2 TRP CG C -9.649 1.457 1.453 1.00 . A A . 2 TRP CG 1 1 14 3699 1 1 2 TRP CH2 C -7.195 3.587 -1.057 1.00 . A A . 2 TRP CH2 1 1 14 3700 1 1 2 TRP CZ2 C -8.526 3.890 -0.917 1.00 . A A . 2 TRP CZ2 1 1 14 3701 1 1 2 TRP CZ3 C -6.617 2.527 -0.332 1.00 . A A . 2 TRP CZ3 1 1 14 3702 1 1 2 TRP H H -7.958 2.419 2.471 1.00 . A A . 2 TRP H 1 1 14 3703 1 1 2 TRP HA H -8.221 0.161 3.995 1.00 . A A . 2 TRP HA 1 1 14 3704 1 1 2 TRP HB2 H -9.483 -0.576 1.746 1.00 . A A . 2 TRP HB2 1 1 14 3705 1 1 2 TRP HB3 H -10.193 0.308 3.085 1.00 . A A . 2 TRP HB3 1 1 14 3706 1 1 2 TRP HD1 H -11.662 1.909 1.805 1.00 . A A . 2 TRP HD1 1 1 14 3707 1 1 2 TRP HE1 H -11.243 3.764 0.046 1.00 . A A . 2 TRP HE1 1 1 14 3708 1 1 2 TRP HE3 H -6.897 0.960 1.092 1.00 . A A . 2 TRP HE3 1 1 14 3709 1 1 2 TRP HH2 H -6.570 4.164 -1.722 1.00 . A A . 2 TRP HH2 1 1 14 3710 1 1 2 TRP HZ2 H -8.971 4.704 -1.473 1.00 . A A . 2 TRP HZ2 1 1 14 3711 1 1 2 TRP HZ3 H -5.586 2.311 -0.435 1.00 . A A . 2 TRP HZ3 1 1 14 3712 1 1 2 TRP N N -7.570 1.757 3.075 1.00 . A A . 2 TRP N 1 1 14 3713 1 1 2 TRP NE1 N -10.572 3.140 0.358 1.00 . A A . 2 TRP NE1 1 1 14 3714 1 1 2 TRP O O -6.237 -1.190 3.211 1.00 . A A . 2 TRP O 1 1 14 3715 1 1 3 LYS C C -5.448 -1.955 -0.076 1.00 . A A . 3 LYS C 1 1 14 3716 1 1 3 LYS CA C -6.637 -2.384 0.723 1.00 . A A . 3 LYS CA 1 1 14 3717 1 1 3 LYS CB C -7.544 -3.278 -0.120 1.00 . A A . 3 LYS CB 1 1 14 3718 1 1 3 LYS CD C -9.490 -4.867 -0.154 1.00 . A A . 3 LYS CD 1 1 14 3719 1 1 3 LYS CE C -10.552 -5.549 0.692 1.00 . A A . 3 LYS CE 1 1 14 3720 1 1 3 LYS CG C -8.746 -3.810 0.643 1.00 . A A . 3 LYS CG 1 1 14 3721 1 1 3 LYS H H -8.130 -0.895 0.750 1.00 . A A . 3 LYS H 1 1 14 3722 1 1 3 LYS HA H -6.280 -2.936 1.550 1.00 . A A . 3 LYS HA 1 1 14 3723 1 1 3 LYS HB2 H -7.903 -2.710 -0.967 1.00 . A A . 3 LYS HB2 1 1 14 3724 1 1 3 LYS HB3 H -6.971 -4.119 -0.479 1.00 . A A . 3 LYS HB3 1 1 14 3725 1 1 3 LYS HD2 H -9.966 -4.397 -1.003 1.00 . A A . 3 LYS HD2 1 1 14 3726 1 1 3 LYS HD3 H -8.786 -5.609 -0.499 1.00 . A A . 3 LYS HD3 1 1 14 3727 1 1 3 LYS HE2 H -10.071 -6.264 1.342 1.00 . A A . 3 LYS HE2 1 1 14 3728 1 1 3 LYS HE3 H -11.053 -4.801 1.290 1.00 . A A . 3 LYS HE3 1 1 14 3729 1 1 3 LYS HG2 H -8.406 -4.247 1.569 1.00 . A A . 3 LYS HG2 1 1 14 3730 1 1 3 LYS HG3 H -9.418 -2.992 0.854 1.00 . A A . 3 LYS HG3 1 1 14 3731 1 1 3 LYS HZ1 H -12.084 -6.945 0.435 1.00 . A A . 3 LYS HZ1 1 1 14 3732 1 1 3 LYS HZ2 H -11.091 -6.761 -0.921 1.00 . A A . 3 LYS HZ2 1 1 14 3733 1 1 3 LYS HZ3 H -12.236 -5.575 -0.545 1.00 . A A . 3 LYS HZ3 1 1 14 3734 1 1 3 LYS N N -7.392 -1.251 1.269 1.00 . A A . 3 LYS N 1 1 14 3735 1 1 3 LYS NZ N -11.562 -6.257 -0.144 1.00 . A A . 3 LYS NZ 1 1 14 3736 1 1 3 LYS O O -4.578 -2.748 -0.426 1.00 . A A . 3 LYS O 1 1 14 3737 1 1 4 LEU C C -3.341 0.483 0.004 1.00 . A A . 4 LEU C 1 1 14 3738 1 1 4 LEU CA C -4.286 -0.118 -1.014 1.00 . A A . 4 LEU CA 1 1 14 3739 1 1 4 LEU CB C -4.733 0.921 -1.997 1.00 . A A . 4 LEU CB 1 1 14 3740 1 1 4 LEU CD1 C -5.749 0.867 -4.291 1.00 . A A . 4 LEU CD1 1 1 14 3741 1 1 4 LEU CD2 C -3.308 1.357 -4.015 1.00 . A A . 4 LEU CD2 1 1 14 3742 1 1 4 LEU CG C -4.499 0.580 -3.471 1.00 . A A . 4 LEU CG 1 1 14 3743 1 1 4 LEU H H -6.098 -0.136 0.035 1.00 . A A . 4 LEU H 1 1 14 3744 1 1 4 LEU HA H -3.782 -0.912 -1.542 1.00 . A A . 4 LEU HA 1 1 14 3745 1 1 4 LEU HB2 H -5.786 1.079 -1.845 1.00 . A A . 4 LEU HB2 1 1 14 3746 1 1 4 LEU HB3 H -4.197 1.821 -1.762 1.00 . A A . 4 LEU HB3 1 1 14 3747 1 1 4 LEU HD11 H -5.468 1.304 -5.237 1.00 . A A . 4 LEU HD11 1 1 14 3748 1 1 4 LEU HD12 H -6.382 1.556 -3.751 1.00 . A A . 4 LEU HD12 1 1 14 3749 1 1 4 LEU HD13 H -6.286 -0.054 -4.463 1.00 . A A . 4 LEU HD13 1 1 14 3750 1 1 4 LEU HD21 H -2.408 1.033 -3.514 1.00 . A A . 4 LEU HD21 1 1 14 3751 1 1 4 LEU HD22 H -3.457 2.412 -3.841 1.00 . A A . 4 LEU HD22 1 1 14 3752 1 1 4 LEU HD23 H -3.214 1.176 -5.075 1.00 . A A . 4 LEU HD23 1 1 14 3753 1 1 4 LEU HG H -4.279 -0.474 -3.559 1.00 . A A . 4 LEU HG 1 1 14 3754 1 1 4 LEU N N -5.396 -0.696 -0.315 1.00 . A A . 4 LEU N 1 1 14 3755 1 1 4 LEU O O -2.140 0.566 -0.230 1.00 . A A . 4 LEU O 1 1 14 3756 1 1 5 PHE C C -2.069 0.267 2.603 1.00 . A A . 5 PHE C 1 1 14 3757 1 1 5 PHE CA C -3.037 1.357 2.245 1.00 . A A . 5 PHE CA 1 1 14 3758 1 1 5 PHE CB C -3.872 1.734 3.461 1.00 . A A . 5 PHE CB 1 1 14 3759 1 1 5 PHE CD1 C -3.084 1.038 5.745 1.00 . A A . 5 PHE CD1 1 1 14 3760 1 1 5 PHE CD2 C -2.218 3.055 4.813 1.00 . A A . 5 PHE CD2 1 1 14 3761 1 1 5 PHE CE1 C -2.308 1.223 6.873 1.00 . A A . 5 PHE CE1 1 1 14 3762 1 1 5 PHE CE2 C -1.443 3.248 5.941 1.00 . A A . 5 PHE CE2 1 1 14 3763 1 1 5 PHE CG C -3.048 1.950 4.703 1.00 . A A . 5 PHE CG 1 1 14 3764 1 1 5 PHE CZ C -1.487 2.330 6.971 1.00 . A A . 5 PHE CZ 1 1 14 3765 1 1 5 PHE H H -4.840 0.692 1.353 1.00 . A A . 5 PHE H 1 1 14 3766 1 1 5 PHE HA H -2.500 2.215 1.876 1.00 . A A . 5 PHE HA 1 1 14 3767 1 1 5 PHE HB2 H -4.391 2.643 3.242 1.00 . A A . 5 PHE HB2 1 1 14 3768 1 1 5 PHE HB3 H -4.593 0.944 3.657 1.00 . A A . 5 PHE HB3 1 1 14 3769 1 1 5 PHE HD1 H -3.726 0.174 5.671 1.00 . A A . 5 PHE HD1 1 1 14 3770 1 1 5 PHE HD2 H -2.181 3.774 4.007 1.00 . A A . 5 PHE HD2 1 1 14 3771 1 1 5 PHE HE1 H -2.344 0.505 7.680 1.00 . A A . 5 PHE HE1 1 1 14 3772 1 1 5 PHE HE2 H -0.801 4.114 6.014 1.00 . A A . 5 PHE HE2 1 1 14 3773 1 1 5 PHE HZ H -0.880 2.478 7.853 1.00 . A A . 5 PHE HZ 1 1 14 3774 1 1 5 PHE N N -3.879 0.838 1.181 1.00 . A A . 5 PHE N 1 1 14 3775 1 1 5 PHE O O -0.959 0.499 3.081 1.00 . A A . 5 PHE O 1 1 14 3776 1 1 6 LYS C C -0.852 -2.312 1.312 1.00 . A A . 6 LYS C 1 1 14 3777 1 1 6 LYS CA C -1.757 -2.113 2.519 1.00 . A A . 6 LYS CA 1 1 14 3778 1 1 6 LYS CB C -2.687 -3.303 2.758 1.00 . A A . 6 LYS CB 1 1 14 3779 1 1 6 LYS CD C -3.411 -5.356 1.510 1.00 . A A . 6 LYS CD 1 1 14 3780 1 1 6 LYS CE C -4.693 -5.865 0.873 1.00 . A A . 6 LYS CE 1 1 14 3781 1 1 6 LYS CG C -3.355 -3.838 1.507 1.00 . A A . 6 LYS CG 1 1 14 3782 1 1 6 LYS H H -3.399 -1.010 1.899 1.00 . A A . 6 LYS H 1 1 14 3783 1 1 6 LYS HA H -1.159 -1.949 3.388 1.00 . A A . 6 LYS HA 1 1 14 3784 1 1 6 LYS HB2 H -2.126 -4.103 3.212 1.00 . A A . 6 LYS HB2 1 1 14 3785 1 1 6 LYS HB3 H -3.467 -2.986 3.438 1.00 . A A . 6 LYS HB3 1 1 14 3786 1 1 6 LYS HD2 H -2.568 -5.738 0.954 1.00 . A A . 6 LYS HD2 1 1 14 3787 1 1 6 LYS HD3 H -3.362 -5.705 2.530 1.00 . A A . 6 LYS HD3 1 1 14 3788 1 1 6 LYS HE2 H -5.526 -5.304 1.271 1.00 . A A . 6 LYS HE2 1 1 14 3789 1 1 6 LYS HE3 H -4.634 -5.712 -0.194 1.00 . A A . 6 LYS HE3 1 1 14 3790 1 1 6 LYS HG2 H -4.364 -3.452 1.466 1.00 . A A . 6 LYS HG2 1 1 14 3791 1 1 6 LYS HG3 H -2.802 -3.506 0.639 1.00 . A A . 6 LYS HG3 1 1 14 3792 1 1 6 LYS HZ1 H -5.697 -7.671 0.573 1.00 . A A . 6 LYS HZ1 1 1 14 3793 1 1 6 LYS HZ2 H -5.131 -7.457 2.151 1.00 . A A . 6 LYS HZ2 1 1 14 3794 1 1 6 LYS HZ3 H -4.050 -7.851 0.911 1.00 . A A . 6 LYS HZ3 1 1 14 3795 1 1 6 LYS N N -2.522 -0.933 2.307 1.00 . A A . 6 LYS N 1 1 14 3796 1 1 6 LYS NZ N -4.909 -7.312 1.146 1.00 . A A . 6 LYS NZ 1 1 14 3797 1 1 6 LYS O O 0.246 -2.853 1.426 1.00 . A A . 6 LYS O 1 1 14 3798 1 1 7 LYS C C 0.436 -0.709 -1.101 1.00 . A A . 7 LYS C 1 1 14 3799 1 1 7 LYS CA C -0.518 -1.878 -1.059 1.00 . A A . 7 LYS CA 1 1 14 3800 1 1 7 LYS CB C -1.413 -1.889 -2.301 1.00 . A A . 7 LYS CB 1 1 14 3801 1 1 7 LYS CD C -0.259 -1.340 -4.473 1.00 . A A . 7 LYS CD 1 1 14 3802 1 1 7 LYS CE C 1.249 -1.380 -4.675 1.00 . A A . 7 LYS CE 1 1 14 3803 1 1 7 LYS CG C -0.734 -2.448 -3.542 1.00 . A A . 7 LYS CG 1 1 14 3804 1 1 7 LYS H H -2.186 -1.347 0.127 1.00 . A A . 7 LYS H 1 1 14 3805 1 1 7 LYS HA H 0.062 -2.766 -1.023 1.00 . A A . 7 LYS HA 1 1 14 3806 1 1 7 LYS HB2 H -2.286 -2.490 -2.094 1.00 . A A . 7 LYS HB2 1 1 14 3807 1 1 7 LYS HB3 H -1.727 -0.877 -2.513 1.00 . A A . 7 LYS HB3 1 1 14 3808 1 1 7 LYS HD2 H -0.742 -1.458 -5.432 1.00 . A A . 7 LYS HD2 1 1 14 3809 1 1 7 LYS HD3 H -0.530 -0.384 -4.048 1.00 . A A . 7 LYS HD3 1 1 14 3810 1 1 7 LYS HE2 H 1.637 -0.376 -4.591 1.00 . A A . 7 LYS HE2 1 1 14 3811 1 1 7 LYS HE3 H 1.687 -2.001 -3.906 1.00 . A A . 7 LYS HE3 1 1 14 3812 1 1 7 LYS HG2 H 0.117 -3.040 -3.240 1.00 . A A . 7 LYS HG2 1 1 14 3813 1 1 7 LYS HG3 H -1.438 -3.073 -4.072 1.00 . A A . 7 LYS HG3 1 1 14 3814 1 1 7 LYS HZ1 H 1.808 -2.949 -5.936 1.00 . A A . 7 LYS HZ1 1 1 14 3815 1 1 7 LYS HZ2 H 2.470 -1.455 -6.370 1.00 . A A . 7 LYS HZ2 1 1 14 3816 1 1 7 LYS HZ3 H 0.841 -1.779 -6.685 1.00 . A A . 7 LYS HZ3 1 1 14 3817 1 1 7 LYS N N -1.310 -1.810 0.155 1.00 . A A . 7 LYS N 1 1 14 3818 1 1 7 LYS NZ N 1.617 -1.930 -6.010 1.00 . A A . 7 LYS NZ 1 1 14 3819 1 1 7 LYS O O 1.371 -0.680 -1.902 1.00 . A A . 7 LYS O 1 1 14 3820 1 1 8 ILE C C 2.123 1.214 0.919 1.00 . A A . 8 ILE C 1 1 14 3821 1 1 8 ILE CA C 1.061 1.406 -0.148 1.00 . A A . 8 ILE CA 1 1 14 3822 1 1 8 ILE CB C 0.247 2.692 0.126 1.00 . A A . 8 ILE CB 1 1 14 3823 1 1 8 ILE CD1 C -1.741 3.974 -0.814 1.00 . A A . 8 ILE CD1 1 1 14 3824 1 1 8 ILE CG1 C -0.553 3.088 -1.116 1.00 . A A . 8 ILE CG1 1 1 14 3825 1 1 8 ILE CG2 C 1.155 3.833 0.563 1.00 . A A . 8 ILE CG2 1 1 14 3826 1 1 8 ILE H H -0.547 0.161 0.412 1.00 . A A . 8 ILE H 1 1 14 3827 1 1 8 ILE HA H 1.539 1.487 -1.097 1.00 . A A . 8 ILE HA 1 1 14 3828 1 1 8 ILE HB H -0.440 2.488 0.933 1.00 . A A . 8 ILE HB 1 1 14 3829 1 1 8 ILE HD11 H -1.801 4.759 -1.553 1.00 . A A . 8 ILE HD11 1 1 14 3830 1 1 8 ILE HD12 H -1.627 4.410 0.167 1.00 . A A . 8 ILE HD12 1 1 14 3831 1 1 8 ILE HD13 H -2.646 3.384 -0.842 1.00 . A A . 8 ILE HD13 1 1 14 3832 1 1 8 ILE HG12 H 0.093 3.622 -1.798 1.00 . A A . 8 ILE HG12 1 1 14 3833 1 1 8 ILE HG13 H -0.918 2.193 -1.599 1.00 . A A . 8 ILE HG13 1 1 14 3834 1 1 8 ILE HG21 H 1.526 3.631 1.557 1.00 . A A . 8 ILE HG21 1 1 14 3835 1 1 8 ILE HG22 H 0.597 4.757 0.567 1.00 . A A . 8 ILE HG22 1 1 14 3836 1 1 8 ILE HG23 H 1.986 3.915 -0.122 1.00 . A A . 8 ILE HG23 1 1 14 3837 1 1 8 ILE N N 0.208 0.247 -0.216 1.00 . A A . 8 ILE N 1 1 14 3838 1 1 8 ILE O O 3.253 1.685 0.793 1.00 . A A . 8 ILE O 1 1 14 3839 1 1 9 GLY C C 3.738 -0.751 2.615 1.00 . A A . 9 GLY C 1 1 14 3840 1 1 9 GLY CA C 2.656 0.219 3.040 1.00 . A A . 9 GLY CA 1 1 14 3841 1 1 9 GLY H H 0.833 0.151 1.976 1.00 . A A . 9 GLY H 1 1 14 3842 1 1 9 GLY HA2 H 3.114 1.143 3.364 1.00 . A A . 9 GLY HA2 1 1 14 3843 1 1 9 GLY HA3 H 2.105 -0.210 3.863 1.00 . A A . 9 GLY HA3 1 1 14 3844 1 1 9 GLY N N 1.744 0.501 1.957 1.00 . A A . 9 GLY N 1 1 14 3845 1 1 9 GLY O O 4.871 -0.692 3.094 1.00 . A A . 9 GLY O 1 1 14 3846 1 1 10 ALA C C 5.332 -1.970 0.267 1.00 . A A . 10 ALA C 1 1 14 3847 1 1 10 ALA CA C 4.378 -2.610 1.242 1.00 . A A . 10 ALA CA 1 1 14 3848 1 1 10 ALA CB C 3.721 -3.839 0.633 1.00 . A A . 10 ALA CB 1 1 14 3849 1 1 10 ALA H H 2.496 -1.663 1.340 1.00 . A A . 10 ALA H 1 1 14 3850 1 1 10 ALA HA H 4.947 -2.909 2.110 1.00 . A A . 10 ALA HA 1 1 14 3851 1 1 10 ALA HB1 H 3.559 -4.580 1.400 1.00 . A A . 10 ALA HB1 1 1 14 3852 1 1 10 ALA HB2 H 4.369 -4.246 -0.132 1.00 . A A . 10 ALA HB2 1 1 14 3853 1 1 10 ALA HB3 H 2.776 -3.561 0.192 1.00 . A A . 10 ALA HB3 1 1 14 3854 1 1 10 ALA N N 3.402 -1.650 1.704 1.00 . A A . 10 ALA N 1 1 14 3855 1 1 10 ALA O O 6.529 -2.239 0.306 1.00 . A A . 10 ALA O 1 1 14 3856 1 1 11 VAL C C 6.803 0.275 -0.673 1.00 . A A . 11 VAL C 1 1 14 3857 1 1 11 VAL CA C 5.725 -0.403 -1.499 1.00 . A A . 11 VAL CA 1 1 14 3858 1 1 11 VAL CB C 4.996 0.627 -2.373 1.00 . A A . 11 VAL CB 1 1 14 3859 1 1 11 VAL CG1 C 5.977 1.334 -3.291 1.00 . A A . 11 VAL CG1 1 1 14 3860 1 1 11 VAL CG2 C 3.892 -0.049 -3.165 1.00 . A A . 11 VAL CG2 1 1 14 3861 1 1 11 VAL H H 3.874 -0.864 -0.569 1.00 . A A . 11 VAL H 1 1 14 3862 1 1 11 VAL HA H 6.188 -1.151 -2.128 1.00 . A A . 11 VAL HA 1 1 14 3863 1 1 11 VAL HB H 4.547 1.363 -1.726 1.00 . A A . 11 VAL HB 1 1 14 3864 1 1 11 VAL HG11 H 5.676 2.362 -3.418 1.00 . A A . 11 VAL HG11 1 1 14 3865 1 1 11 VAL HG12 H 5.990 0.841 -4.251 1.00 . A A . 11 VAL HG12 1 1 14 3866 1 1 11 VAL HG13 H 6.964 1.299 -2.853 1.00 . A A . 11 VAL HG13 1 1 14 3867 1 1 11 VAL HG21 H 3.043 0.615 -3.241 1.00 . A A . 11 VAL HG21 1 1 14 3868 1 1 11 VAL HG22 H 3.594 -0.957 -2.661 1.00 . A A . 11 VAL HG22 1 1 14 3869 1 1 11 VAL HG23 H 4.253 -0.288 -4.154 1.00 . A A . 11 VAL HG23 1 1 14 3870 1 1 11 VAL N N 4.833 -1.085 -0.584 1.00 . A A . 11 VAL N 1 1 14 3871 1 1 11 VAL O O 7.958 0.384 -1.084 1.00 . A A . 11 VAL O 1 1 14 3872 1 1 12 LEU C C 8.527 0.319 1.622 1.00 . A A . 12 LEU C 1 1 14 3873 1 1 12 LEU CA C 7.328 1.241 1.498 1.00 . A A . 12 LEU CA 1 1 14 3874 1 1 12 LEU CB C 6.628 1.335 2.848 1.00 . A A . 12 LEU CB 1 1 14 3875 1 1 12 LEU CD1 C 7.524 3.418 3.922 1.00 . A A . 12 LEU CD1 1 1 14 3876 1 1 12 LEU CD2 C 6.926 1.438 5.331 1.00 . A A . 12 LEU CD2 1 1 14 3877 1 1 12 LEU CG C 7.476 1.898 3.989 1.00 . A A . 12 LEU CG 1 1 14 3878 1 1 12 LEU H H 5.489 0.482 0.815 1.00 . A A . 12 LEU H 1 1 14 3879 1 1 12 LEU HA H 7.632 2.218 1.158 1.00 . A A . 12 LEU HA 1 1 14 3880 1 1 12 LEU HB2 H 5.750 1.955 2.732 1.00 . A A . 12 LEU HB2 1 1 14 3881 1 1 12 LEU HB3 H 6.307 0.330 3.121 1.00 . A A . 12 LEU HB3 1 1 14 3882 1 1 12 LEU HD11 H 8.548 3.750 3.997 1.00 . A A . 12 LEU HD11 1 1 14 3883 1 1 12 LEU HD12 H 6.950 3.834 4.738 1.00 . A A . 12 LEU HD12 1 1 14 3884 1 1 12 LEU HD13 H 7.106 3.751 2.983 1.00 . A A . 12 LEU HD13 1 1 14 3885 1 1 12 LEU HD21 H 6.708 0.381 5.288 1.00 . A A . 12 LEU HD21 1 1 14 3886 1 1 12 LEU HD22 H 6.020 1.982 5.554 1.00 . A A . 12 LEU HD22 1 1 14 3887 1 1 12 LEU HD23 H 7.658 1.624 6.104 1.00 . A A . 12 LEU HD23 1 1 14 3888 1 1 12 LEU HG H 8.486 1.527 3.896 1.00 . A A . 12 LEU HG 1 1 14 3889 1 1 12 LEU N N 6.412 0.654 0.539 1.00 . A A . 12 LEU N 1 1 14 3890 1 1 12 LEU O O 9.672 0.750 1.751 1.00 . A A . 12 LEU O 1 1 14 3891 1 1 13 LYS C C 9.872 -2.235 0.291 1.00 . A A . 13 LYS C 1 1 14 3892 1 1 13 LYS CA C 9.202 -2.029 1.640 1.00 . A A . 13 LYS CA 1 1 14 3893 1 1 13 LYS CB C 8.520 -3.332 2.050 1.00 . A A . 13 LYS CB 1 1 14 3894 1 1 13 LYS CD C 8.224 -4.726 4.124 1.00 . A A . 13 LYS CD 1 1 14 3895 1 1 13 LYS CE C 6.890 -5.389 4.426 1.00 . A A . 13 LYS CE 1 1 14 3896 1 1 13 LYS CG C 8.038 -3.354 3.492 1.00 . A A . 13 LYS CG 1 1 14 3897 1 1 13 LYS H H 7.273 -1.217 1.439 1.00 . A A . 13 LYS H 1 1 14 3898 1 1 13 LYS HA H 9.932 -1.758 2.379 1.00 . A A . 13 LYS HA 1 1 14 3899 1 1 13 LYS HB2 H 7.666 -3.487 1.402 1.00 . A A . 13 LYS HB2 1 1 14 3900 1 1 13 LYS HB3 H 9.215 -4.147 1.911 1.00 . A A . 13 LYS HB3 1 1 14 3901 1 1 13 LYS HD2 H 8.780 -5.354 3.444 1.00 . A A . 13 LYS HD2 1 1 14 3902 1 1 13 LYS HD3 H 8.776 -4.614 5.045 1.00 . A A . 13 LYS HD3 1 1 14 3903 1 1 13 LYS HE2 H 6.130 -4.943 3.802 1.00 . A A . 13 LYS HE2 1 1 14 3904 1 1 13 LYS HE3 H 6.967 -6.443 4.199 1.00 . A A . 13 LYS HE3 1 1 14 3905 1 1 13 LYS HG2 H 8.601 -2.629 4.061 1.00 . A A . 13 LYS HG2 1 1 14 3906 1 1 13 LYS HG3 H 6.989 -3.095 3.515 1.00 . A A . 13 LYS HG3 1 1 14 3907 1 1 13 LYS HZ1 H 5.465 -5.202 5.941 1.00 . A A . 13 LYS HZ1 1 1 14 3908 1 1 13 LYS HZ2 H 6.892 -4.341 6.232 1.00 . A A . 13 LYS HZ2 1 1 14 3909 1 1 13 LYS HZ3 H 6.867 -6.023 6.416 1.00 . A A . 13 LYS HZ3 1 1 14 3910 1 1 13 LYS N N 8.216 -0.970 1.558 1.00 . A A . 13 LYS N 1 1 14 3911 1 1 13 LYS NZ N 6.501 -5.227 5.853 1.00 . A A . 13 LYS NZ 1 1 14 3912 1 1 13 LYS O O 11.039 -2.615 0.206 1.00 . A A . 13 LYS O 1 1 14 3913 1 1 14 VAL C C 10.420 -0.975 -2.572 1.00 . A A . 14 VAL C 1 1 14 3914 1 1 14 VAL CA C 9.564 -2.157 -2.120 1.00 . A A . 14 VAL CA 1 1 14 3915 1 1 14 VAL CB C 8.352 -2.343 -3.066 1.00 . A A . 14 VAL CB 1 1 14 3916 1 1 14 VAL CG1 C 8.037 -1.070 -3.845 1.00 . A A . 14 VAL CG1 1 1 14 3917 1 1 14 VAL CG2 C 8.582 -3.511 -4.011 1.00 . A A . 14 VAL CG2 1 1 14 3918 1 1 14 VAL H H 8.184 -1.705 -0.618 1.00 . A A . 14 VAL H 1 1 14 3919 1 1 14 VAL HA H 10.152 -3.052 -2.151 1.00 . A A . 14 VAL HA 1 1 14 3920 1 1 14 VAL HB H 7.493 -2.575 -2.450 1.00 . A A . 14 VAL HB 1 1 14 3921 1 1 14 VAL HG11 H 8.755 -0.948 -4.642 1.00 . A A . 14 VAL HG11 1 1 14 3922 1 1 14 VAL HG12 H 8.091 -0.221 -3.182 1.00 . A A . 14 VAL HG12 1 1 14 3923 1 1 14 VAL HG13 H 7.043 -1.139 -4.261 1.00 . A A . 14 VAL HG13 1 1 14 3924 1 1 14 VAL HG21 H 9.644 -3.663 -4.144 1.00 . A A . 14 VAL HG21 1 1 14 3925 1 1 14 VAL HG22 H 8.127 -3.297 -4.967 1.00 . A A . 14 VAL HG22 1 1 14 3926 1 1 14 VAL HG23 H 8.140 -4.403 -3.593 1.00 . A A . 14 VAL HG23 1 1 14 3927 1 1 14 VAL N N 9.101 -1.993 -0.762 1.00 . A A . 14 VAL N 1 1 14 3928 1 1 14 VAL O O 10.782 -0.872 -3.744 1.00 . A A . 14 VAL O 1 1 14 3929 1 1 15 LEU C C 12.883 1.041 -1.259 1.00 . A A . 15 LEU C 1 1 14 3930 1 1 15 LEU CA C 11.517 1.102 -1.936 1.00 . A A . 15 LEU CA 1 1 14 3931 1 1 15 LEU CB C 10.756 2.335 -1.473 1.00 . A A . 15 LEU CB 1 1 14 3932 1 1 15 LEU CD1 C 10.230 3.094 -3.801 1.00 . A A . 15 LEU CD1 1 1 14 3933 1 1 15 LEU CD2 C 10.002 4.688 -1.881 1.00 . A A . 15 LEU CD2 1 1 14 3934 1 1 15 LEU CG C 10.783 3.512 -2.447 1.00 . A A . 15 LEU CG 1 1 14 3935 1 1 15 LEU H H 10.398 -0.209 -0.728 1.00 . A A . 15 LEU H 1 1 14 3936 1 1 15 LEU HA H 11.658 1.156 -3.005 1.00 . A A . 15 LEU HA 1 1 14 3937 1 1 15 LEU HB2 H 9.723 2.045 -1.307 1.00 . A A . 15 LEU HB2 1 1 14 3938 1 1 15 LEU HB3 H 11.175 2.662 -0.534 1.00 . A A . 15 LEU HB3 1 1 14 3939 1 1 15 LEU HD11 H 9.321 2.527 -3.659 1.00 . A A . 15 LEU HD11 1 1 14 3940 1 1 15 LEU HD12 H 10.957 2.483 -4.316 1.00 . A A . 15 LEU HD12 1 1 14 3941 1 1 15 LEU HD13 H 10.018 3.973 -4.391 1.00 . A A . 15 LEU HD13 1 1 14 3942 1 1 15 LEU HD21 H 9.731 4.482 -0.856 1.00 . A A . 15 LEU HD21 1 1 14 3943 1 1 15 LEU HD22 H 9.107 4.840 -2.466 1.00 . A A . 15 LEU HD22 1 1 14 3944 1 1 15 LEU HD23 H 10.613 5.577 -1.920 1.00 . A A . 15 LEU HD23 1 1 14 3945 1 1 15 LEU HG H 11.808 3.827 -2.589 1.00 . A A . 15 LEU HG 1 1 14 3946 1 1 15 LEU N N 10.725 -0.080 -1.639 1.00 . A A . 15 LEU N 1 1 14 3947 1 1 15 LEU O O 13.720 1.924 -1.539 1.00 . A A . 15 LEU O 1 1 14 3948 1 1 15 LEU OXT O 13.104 0.111 -0.453 1.00 . A A . 15 LEU OXT 1 1 15 3949 1 1 1 LYS C C -6.588 2.159 4.136 1.00 . A A . 1 LYS C 1 1 15 3950 1 1 1 LYS CA C -6.150 3.609 4.133 1.00 . A A . 1 LYS CA 1 1 15 3951 1 1 1 LYS CB C -7.129 4.457 4.947 1.00 . A A . 1 LYS CB 1 1 15 3952 1 1 1 LYS CD C -9.540 5.036 5.356 1.00 . A A . 1 LYS CD 1 1 15 3953 1 1 1 LYS CE C -9.799 6.527 5.213 1.00 . A A . 1 LYS CE 1 1 15 3954 1 1 1 LYS CG C -8.521 4.545 4.340 1.00 . A A . 1 LYS CG 1 1 15 3955 1 1 1 LYS H1 H -5.660 3.417 2.142 1.00 . A A . 1 LYS H1 1 1 15 3956 1 1 1 LYS H2 H -5.471 4.999 2.776 1.00 . A A . 1 LYS H2 1 1 15 3957 1 1 1 LYS H3 H -7.038 4.389 2.444 1.00 . A A . 1 LYS H3 1 1 15 3958 1 1 1 LYS HA H -5.183 3.665 4.573 1.00 . A A . 1 LYS HA 1 1 15 3959 1 1 1 LYS HB2 H -7.220 4.028 5.931 1.00 . A A . 1 LYS HB2 1 1 15 3960 1 1 1 LYS HB3 H -6.734 5.457 5.033 1.00 . A A . 1 LYS HB3 1 1 15 3961 1 1 1 LYS HD2 H -10.467 4.504 5.206 1.00 . A A . 1 LYS HD2 1 1 15 3962 1 1 1 LYS HD3 H -9.166 4.839 6.350 1.00 . A A . 1 LYS HD3 1 1 15 3963 1 1 1 LYS HE2 H -9.786 6.783 4.163 1.00 . A A . 1 LYS HE2 1 1 15 3964 1 1 1 LYS HE3 H -10.772 6.751 5.625 1.00 . A A . 1 LYS HE3 1 1 15 3965 1 1 1 LYS HG2 H -8.498 5.233 3.508 1.00 . A A . 1 LYS HG2 1 1 15 3966 1 1 1 LYS HG3 H -8.815 3.566 3.991 1.00 . A A . 1 LYS HG3 1 1 15 3967 1 1 1 LYS HZ1 H -8.819 8.330 5.604 1.00 . A A . 1 LYS HZ1 1 1 15 3968 1 1 1 LYS HZ2 H -7.822 6.969 5.723 1.00 . A A . 1 LYS HZ2 1 1 15 3969 1 1 1 LYS HZ3 H -8.938 7.308 6.948 1.00 . A A . 1 LYS HZ3 1 1 15 3970 1 1 1 LYS N N -6.073 4.152 2.749 1.00 . A A . 1 LYS N 1 1 15 3971 1 1 1 LYS NZ N -8.773 7.341 5.922 1.00 . A A . 1 LYS NZ 1 1 15 3972 1 1 1 LYS O O -6.197 1.372 4.998 1.00 . A A . 1 LYS O 1 1 15 3973 1 1 2 TRP C C -7.153 -0.634 2.521 1.00 . A A . 2 TRP C 1 1 15 3974 1 1 2 TRP CA C -8.023 0.510 3.100 1.00 . A A . 2 TRP CA 1 1 15 3975 1 1 2 TRP CB C -9.384 0.564 2.419 1.00 . A A . 2 TRP CB 1 1 15 3976 1 1 2 TRP CD1 C -10.610 2.556 1.520 1.00 . A A . 2 TRP CD1 1 1 15 3977 1 1 2 TRP CD2 C -8.530 2.370 0.872 1.00 . A A . 2 TRP CD2 1 1 15 3978 1 1 2 TRP CE2 C -9.046 3.506 0.259 1.00 . A A . 2 TRP CE2 1 1 15 3979 1 1 2 TRP CE3 C -7.234 2.002 0.675 1.00 . A A . 2 TRP CE3 1 1 15 3980 1 1 2 TRP CG C -9.541 1.781 1.620 1.00 . A A . 2 TRP CG 1 1 15 3981 1 1 2 TRP CH2 C -6.965 3.917 -0.757 1.00 . A A . 2 TRP CH2 1 1 15 3982 1 1 2 TRP CZ2 C -8.269 4.301 -0.575 1.00 . A A . 2 TRP CZ2 1 1 15 3983 1 1 2 TRP CZ3 C -6.455 2.770 -0.123 1.00 . A A . 2 TRP CZ3 1 1 15 3984 1 1 2 TRP H H -7.747 2.544 2.604 1.00 . A A . 2 TRP H 1 1 15 3985 1 1 2 TRP HA H -8.192 0.271 4.075 1.00 . A A . 2 TRP HA 1 1 15 3986 1 1 2 TRP HB2 H -9.492 -0.276 1.765 1.00 . A A . 2 TRP HB2 1 1 15 3987 1 1 2 TRP HB3 H -10.157 0.548 3.165 1.00 . A A . 2 TRP HB3 1 1 15 3988 1 1 2 TRP HD1 H -11.514 2.349 2.029 1.00 . A A . 2 TRP HD1 1 1 15 3989 1 1 2 TRP HE1 H -10.977 4.297 0.408 1.00 . A A . 2 TRP HE1 1 1 15 3990 1 1 2 TRP HE3 H -6.831 1.123 1.183 1.00 . A A . 2 TRP HE3 1 1 15 3991 1 1 2 TRP HH2 H -6.306 4.500 -1.385 1.00 . A A . 2 TRP HH2 1 1 15 3992 1 1 2 TRP HZ2 H -8.660 5.183 -1.061 1.00 . A A . 2 TRP HZ2 1 1 15 3993 1 1 2 TRP HZ3 H -5.442 2.489 -0.261 1.00 . A A . 2 TRP HZ3 1 1 15 3994 1 1 2 TRP N N -7.442 1.842 3.200 1.00 . A A . 2 TRP N 1 1 15 3995 1 1 2 TRP NE1 N -10.350 3.604 0.666 1.00 . A A . 2 TRP NE1 1 1 15 3996 1 1 2 TRP O O -6.282 -1.154 3.218 1.00 . A A . 2 TRP O 1 1 15 3997 1 1 3 LYS C C -5.524 -1.809 -0.096 1.00 . A A . 3 LYS C 1 1 15 3998 1 1 3 LYS CA C -6.733 -2.224 0.686 1.00 . A A . 3 LYS CA 1 1 15 3999 1 1 3 LYS CB C -7.676 -3.044 -0.195 1.00 . A A . 3 LYS CB 1 1 15 4000 1 1 3 LYS CD C -9.846 -4.304 -0.357 1.00 . A A . 3 LYS CD 1 1 15 4001 1 1 3 LYS CE C -9.656 -5.798 -0.558 1.00 . A A . 3 LYS CE 1 1 15 4002 1 1 3 LYS CG C -8.793 -3.728 0.577 1.00 . A A . 3 LYS CG 1 1 15 4003 1 1 3 LYS H H -8.157 -0.672 0.773 1.00 . A A . 3 LYS H 1 1 15 4004 1 1 3 LYS HA H -6.400 -2.824 1.488 1.00 . A A . 3 LYS HA 1 1 15 4005 1 1 3 LYS HB2 H -8.124 -2.390 -0.929 1.00 . A A . 3 LYS HB2 1 1 15 4006 1 1 3 LYS HB3 H -7.104 -3.805 -0.705 1.00 . A A . 3 LYS HB3 1 1 15 4007 1 1 3 LYS HD2 H -10.824 -4.128 0.065 1.00 . A A . 3 LYS HD2 1 1 15 4008 1 1 3 LYS HD3 H -9.771 -3.810 -1.315 1.00 . A A . 3 LYS HD3 1 1 15 4009 1 1 3 LYS HE2 H -10.360 -6.142 -1.302 1.00 . A A . 3 LYS HE2 1 1 15 4010 1 1 3 LYS HE3 H -8.649 -5.978 -0.905 1.00 . A A . 3 LYS HE3 1 1 15 4011 1 1 3 LYS HG2 H -8.373 -4.529 1.166 1.00 . A A . 3 LYS HG2 1 1 15 4012 1 1 3 LYS HG3 H -9.261 -3.005 1.229 1.00 . A A . 3 LYS HG3 1 1 15 4013 1 1 3 LYS HZ1 H -10.206 -7.523 0.485 1.00 . A A . 3 LYS HZ1 1 1 15 4014 1 1 3 LYS HZ2 H -10.594 -6.086 1.287 1.00 . A A . 3 LYS HZ2 1 1 15 4015 1 1 3 LYS HZ3 H -8.991 -6.622 1.244 1.00 . A A . 3 LYS HZ3 1 1 15 4016 1 1 3 LYS N N -7.441 -1.083 1.279 1.00 . A A . 3 LYS N 1 1 15 4017 1 1 3 LYS NZ N -9.877 -6.561 0.702 1.00 . A A . 3 LYS NZ 1 1 15 4018 1 1 3 LYS O O -4.674 -2.618 -0.460 1.00 . A A . 3 LYS O 1 1 15 4019 1 1 4 LEU C C -3.338 0.559 0.038 1.00 . A A . 4 LEU C 1 1 15 4020 1 1 4 LEU CA C -4.307 0.021 -0.990 1.00 . A A . 4 LEU CA 1 1 15 4021 1 1 4 LEU CB C -4.723 1.112 -1.929 1.00 . A A . 4 LEU CB 1 1 15 4022 1 1 4 LEU CD1 C -5.868 0.871 -4.154 1.00 . A A . 4 LEU CD1 1 1 15 4023 1 1 4 LEU CD2 C -3.531 1.765 -4.041 1.00 . A A . 4 LEU CD2 1 1 15 4024 1 1 4 LEU CG C -4.536 0.806 -3.418 1.00 . A A . 4 LEU CG 1 1 15 4025 1 1 4 LEU H H -6.127 0.025 0.051 1.00 . A A . 4 LEU H 1 1 15 4026 1 1 4 LEU HA H -3.833 -0.768 -1.551 1.00 . A A . 4 LEU HA 1 1 15 4027 1 1 4 LEU HB2 H -5.760 1.323 -1.745 1.00 . A A . 4 LEU HB2 1 1 15 4028 1 1 4 LEU HB3 H -4.135 1.976 -1.679 1.00 . A A . 4 LEU HB3 1 1 15 4029 1 1 4 LEU HD11 H -6.599 1.367 -3.533 1.00 . A A . 4 LEU HD11 1 1 15 4030 1 1 4 LEU HD12 H -6.205 -0.131 -4.376 1.00 . A A . 4 LEU HD12 1 1 15 4031 1 1 4 LEU HD13 H -5.746 1.421 -5.075 1.00 . A A . 4 LEU HD13 1 1 15 4032 1 1 4 LEU HD21 H -2.819 2.076 -3.292 1.00 . A A . 4 LEU HD21 1 1 15 4033 1 1 4 LEU HD22 H -4.051 2.631 -4.425 1.00 . A A . 4 LEU HD22 1 1 15 4034 1 1 4 LEU HD23 H -3.013 1.269 -4.848 1.00 . A A . 4 LEU HD23 1 1 15 4035 1 1 4 LEU HG H -4.147 -0.198 -3.524 1.00 . A A . 4 LEU HG 1 1 15 4036 1 1 4 LEU N N -5.436 -0.545 -0.306 1.00 . A A . 4 LEU N 1 1 15 4037 1 1 4 LEU O O -2.136 0.602 -0.197 1.00 . A A . 4 LEU O 1 1 15 4038 1 1 5 PHE C C -2.070 0.240 2.628 1.00 . A A . 5 PHE C 1 1 15 4039 1 1 5 PHE CA C -3.007 1.366 2.298 1.00 . A A . 5 PHE CA 1 1 15 4040 1 1 5 PHE CB C -3.841 1.724 3.512 1.00 . A A . 5 PHE CB 1 1 15 4041 1 1 5 PHE CD1 C -2.489 3.122 5.084 1.00 . A A . 5 PHE CD1 1 1 15 4042 1 1 5 PHE CD2 C -2.797 0.817 5.607 1.00 . A A . 5 PHE CD2 1 1 15 4043 1 1 5 PHE CE1 C -1.723 3.283 6.224 1.00 . A A . 5 PHE CE1 1 1 15 4044 1 1 5 PHE CE2 C -2.035 0.970 6.750 1.00 . A A . 5 PHE CE2 1 1 15 4045 1 1 5 PHE CG C -3.033 1.892 4.766 1.00 . A A . 5 PHE CG 1 1 15 4046 1 1 5 PHE CZ C -1.495 2.204 7.058 1.00 . A A . 5 PHE CZ 1 1 15 4047 1 1 5 PHE H H -4.828 0.792 1.388 1.00 . A A . 5 PHE H 1 1 15 4048 1 1 5 PHE HA H -2.448 2.225 1.965 1.00 . A A . 5 PHE HA 1 1 15 4049 1 1 5 PHE HB2 H -4.341 2.648 3.313 1.00 . A A . 5 PHE HB2 1 1 15 4050 1 1 5 PHE HB3 H -4.577 0.943 3.679 1.00 . A A . 5 PHE HB3 1 1 15 4051 1 1 5 PHE HD1 H -2.667 3.962 4.429 1.00 . A A . 5 PHE HD1 1 1 15 4052 1 1 5 PHE HD2 H -3.219 -0.148 5.366 1.00 . A A . 5 PHE HD2 1 1 15 4053 1 1 5 PHE HE1 H -1.303 4.248 6.462 1.00 . A A . 5 PHE HE1 1 1 15 4054 1 1 5 PHE HE2 H -1.858 0.126 7.400 1.00 . A A . 5 PHE HE2 1 1 15 4055 1 1 5 PHE HZ H -0.897 2.327 7.949 1.00 . A A . 5 PHE HZ 1 1 15 4056 1 1 5 PHE N N -3.861 0.905 1.221 1.00 . A A . 5 PHE N 1 1 15 4057 1 1 5 PHE O O -0.952 0.429 3.107 1.00 . A A . 5 PHE O 1 1 15 4058 1 1 6 LYS C C -0.933 -2.364 1.289 1.00 . A A . 6 LYS C 1 1 15 4059 1 1 6 LYS CA C -1.829 -2.151 2.496 1.00 . A A . 6 LYS CA 1 1 15 4060 1 1 6 LYS CB C -2.795 -3.317 2.712 1.00 . A A . 6 LYS CB 1 1 15 4061 1 1 6 LYS CD C -3.531 -5.337 1.411 1.00 . A A . 6 LYS CD 1 1 15 4062 1 1 6 LYS CE C -4.868 -5.850 1.920 1.00 . A A . 6 LYS CE 1 1 15 4063 1 1 6 LYS CG C -3.469 -3.817 1.448 1.00 . A A . 6 LYS CG 1 1 15 4064 1 1 6 LYS H H -3.438 -0.983 1.902 1.00 . A A . 6 LYS H 1 1 15 4065 1 1 6 LYS HA H -1.225 -2.026 3.369 1.00 . A A . 6 LYS HA 1 1 15 4066 1 1 6 LYS HB2 H -2.258 -4.139 3.159 1.00 . A A . 6 LYS HB2 1 1 15 4067 1 1 6 LYS HB3 H -3.570 -2.990 3.393 1.00 . A A . 6 LYS HB3 1 1 15 4068 1 1 6 LYS HD2 H -3.394 -5.668 0.393 1.00 . A A . 6 LYS HD2 1 1 15 4069 1 1 6 LYS HD3 H -2.742 -5.735 2.031 1.00 . A A . 6 LYS HD3 1 1 15 4070 1 1 6 LYS HE2 H -5.621 -5.098 1.738 1.00 . A A . 6 LYS HE2 1 1 15 4071 1 1 6 LYS HE3 H -5.122 -6.751 1.380 1.00 . A A . 6 LYS HE3 1 1 15 4072 1 1 6 LYS HG2 H -4.476 -3.425 1.417 1.00 . A A . 6 LYS HG2 1 1 15 4073 1 1 6 LYS HG3 H -2.916 -3.466 0.588 1.00 . A A . 6 LYS HG3 1 1 15 4074 1 1 6 LYS HZ1 H -4.941 -5.278 3.927 1.00 . A A . 6 LYS HZ1 1 1 15 4075 1 1 6 LYS HZ2 H -3.919 -6.591 3.627 1.00 . A A . 6 LYS HZ2 1 1 15 4076 1 1 6 LYS HZ3 H -5.596 -6.809 3.627 1.00 . A A . 6 LYS HZ3 1 1 15 4077 1 1 6 LYS N N -2.557 -0.940 2.310 1.00 . A A . 6 LYS N 1 1 15 4078 1 1 6 LYS NZ N -4.828 -6.153 3.377 1.00 . A A . 6 LYS NZ 1 1 15 4079 1 1 6 LYS O O 0.139 -2.959 1.393 1.00 . A A . 6 LYS O 1 1 15 4080 1 1 7 LYS C C 0.421 -0.787 -1.120 1.00 . A A . 7 LYS C 1 1 15 4081 1 1 7 LYS CA C -0.570 -1.921 -1.070 1.00 . A A . 7 LYS CA 1 1 15 4082 1 1 7 LYS CB C -1.462 -1.916 -2.313 1.00 . A A . 7 LYS CB 1 1 15 4083 1 1 7 LYS CD C -0.659 -0.686 -4.354 1.00 . A A . 7 LYS CD 1 1 15 4084 1 1 7 LYS CE C 0.631 -0.512 -5.139 1.00 . A A . 7 LYS CE 1 1 15 4085 1 1 7 LYS CG C -0.689 -2.017 -3.618 1.00 . A A . 7 LYS CG 1 1 15 4086 1 1 7 LYS H H -2.220 -1.324 0.112 1.00 . A A . 7 LYS H 1 1 15 4087 1 1 7 LYS HA H -0.018 -2.827 -1.029 1.00 . A A . 7 LYS HA 1 1 15 4088 1 1 7 LYS HB2 H -2.142 -2.753 -2.257 1.00 . A A . 7 LYS HB2 1 1 15 4089 1 1 7 LYS HB3 H -2.034 -0.999 -2.327 1.00 . A A . 7 LYS HB3 1 1 15 4090 1 1 7 LYS HD2 H -1.493 -0.645 -5.038 1.00 . A A . 7 LYS HD2 1 1 15 4091 1 1 7 LYS HD3 H -0.742 0.114 -3.633 1.00 . A A . 7 LYS HD3 1 1 15 4092 1 1 7 LYS HE2 H 0.697 0.511 -5.478 1.00 . A A . 7 LYS HE2 1 1 15 4093 1 1 7 LYS HE3 H 1.466 -0.731 -4.489 1.00 . A A . 7 LYS HE3 1 1 15 4094 1 1 7 LYS HG2 H 0.325 -2.319 -3.403 1.00 . A A . 7 LYS HG2 1 1 15 4095 1 1 7 LYS HG3 H -1.161 -2.755 -4.249 1.00 . A A . 7 LYS HG3 1 1 15 4096 1 1 7 LYS HZ1 H 0.646 -2.410 -6.012 1.00 . A A . 7 LYS HZ1 1 1 15 4097 1 1 7 LYS HZ2 H 1.574 -1.267 -6.844 1.00 . A A . 7 LYS HZ2 1 1 15 4098 1 1 7 LYS HZ3 H -0.113 -1.226 -6.956 1.00 . A A . 7 LYS HZ3 1 1 15 4099 1 1 7 LYS N N -1.363 -1.825 0.139 1.00 . A A . 7 LYS N 1 1 15 4100 1 1 7 LYS NZ N 0.688 -1.417 -6.321 1.00 . A A . 7 LYS NZ 1 1 15 4101 1 1 7 LYS O O 1.375 -0.812 -1.899 1.00 . A A . 7 LYS O 1 1 15 4102 1 1 8 ILE C C 2.143 1.155 0.861 1.00 . A A . 8 ILE C 1 1 15 4103 1 1 8 ILE CA C 1.099 1.335 -0.227 1.00 . A A . 8 ILE CA 1 1 15 4104 1 1 8 ILE CB C 0.327 2.657 -0.016 1.00 . A A . 8 ILE CB 1 1 15 4105 1 1 8 ILE CD1 C -1.599 3.964 -1.044 1.00 . A A . 8 ILE CD1 1 1 15 4106 1 1 8 ILE CG1 C -0.429 3.036 -1.290 1.00 . A A . 8 ILE CG1 1 1 15 4107 1 1 8 ILE CG2 C 1.267 3.780 0.401 1.00 . A A . 8 ILE CG2 1 1 15 4108 1 1 8 ILE H H -0.566 0.165 0.341 1.00 . A A . 8 ILE H 1 1 15 4109 1 1 8 ILE HA H 1.595 1.365 -1.170 1.00 . A A . 8 ILE HA 1 1 15 4110 1 1 8 ILE HB H -0.387 2.506 0.781 1.00 . A A . 8 ILE HB 1 1 15 4111 1 1 8 ILE HD11 H -1.324 4.701 -0.303 1.00 . A A . 8 ILE HD11 1 1 15 4112 1 1 8 ILE HD12 H -2.443 3.392 -0.688 1.00 . A A . 8 ILE HD12 1 1 15 4113 1 1 8 ILE HD13 H -1.863 4.463 -1.965 1.00 . A A . 8 ILE HD13 1 1 15 4114 1 1 8 ILE HG12 H 0.248 3.530 -1.970 1.00 . A A . 8 ILE HG12 1 1 15 4115 1 1 8 ILE HG13 H -0.809 2.139 -1.756 1.00 . A A . 8 ILE HG13 1 1 15 4116 1 1 8 ILE HG21 H 1.711 3.536 1.356 1.00 . A A . 8 ILE HG21 1 1 15 4117 1 1 8 ILE HG22 H 0.713 4.703 0.486 1.00 . A A . 8 ILE HG22 1 1 15 4118 1 1 8 ILE HG23 H 2.045 3.892 -0.338 1.00 . A A . 8 ILE HG23 1 1 15 4119 1 1 8 ILE N N 0.207 0.203 -0.271 1.00 . A A . 8 ILE N 1 1 15 4120 1 1 8 ILE O O 3.278 1.615 0.742 1.00 . A A . 8 ILE O 1 1 15 4121 1 1 9 GLY C C 3.739 -0.762 2.612 1.00 . A A . 9 GLY C 1 1 15 4122 1 1 9 GLY CA C 2.647 0.206 3.009 1.00 . A A . 9 GLY CA 1 1 15 4123 1 1 9 GLY H H 0.834 0.123 1.926 1.00 . A A . 9 GLY H 1 1 15 4124 1 1 9 GLY HA2 H 3.096 1.136 3.324 1.00 . A A . 9 GLY HA2 1 1 15 4125 1 1 9 GLY HA3 H 2.087 -0.214 3.832 1.00 . A A . 9 GLY HA3 1 1 15 4126 1 1 9 GLY N N 1.746 0.467 1.909 1.00 . A A . 9 GLY N 1 1 15 4127 1 1 9 GLY O O 4.874 -0.673 3.081 1.00 . A A . 9 GLY O 1 1 15 4128 1 1 10 ALA C C 5.354 -2.019 0.317 1.00 . A A . 10 ALA C 1 1 15 4129 1 1 10 ALA CA C 4.401 -2.652 1.299 1.00 . A A . 10 ALA CA 1 1 15 4130 1 1 10 ALA CB C 3.763 -3.898 0.711 1.00 . A A . 10 ALA CB 1 1 15 4131 1 1 10 ALA H H 2.503 -1.730 1.370 1.00 . A A . 10 ALA H 1 1 15 4132 1 1 10 ALA HA H 4.967 -2.927 2.176 1.00 . A A . 10 ALA HA 1 1 15 4133 1 1 10 ALA HB1 H 2.807 -3.645 0.279 1.00 . A A . 10 ALA HB1 1 1 15 4134 1 1 10 ALA HB2 H 3.626 -4.634 1.489 1.00 . A A . 10 ALA HB2 1 1 15 4135 1 1 10 ALA HB3 H 4.410 -4.301 -0.056 1.00 . A A . 10 ALA HB3 1 1 15 4136 1 1 10 ALA N N 3.412 -1.694 1.732 1.00 . A A . 10 ALA N 1 1 15 4137 1 1 10 ALA O O 6.554 -2.267 0.375 1.00 . A A . 10 ALA O 1 1 15 4138 1 1 11 VAL C C 6.800 0.217 -0.663 1.00 . A A . 11 VAL C 1 1 15 4139 1 1 11 VAL CA C 5.737 -0.487 -1.486 1.00 . A A . 11 VAL CA 1 1 15 4140 1 1 11 VAL CB C 5.004 0.522 -2.382 1.00 . A A . 11 VAL CB 1 1 15 4141 1 1 11 VAL CG1 C 5.988 1.223 -3.304 1.00 . A A . 11 VAL CG1 1 1 15 4142 1 1 11 VAL CG2 C 3.912 -0.175 -3.175 1.00 . A A . 11 VAL CG2 1 1 15 4143 1 1 11 VAL H H 3.885 -0.960 -0.562 1.00 . A A . 11 VAL H 1 1 15 4144 1 1 11 VAL HA H 6.212 -1.241 -2.100 1.00 . A A . 11 VAL HA 1 1 15 4145 1 1 11 VAL HB H 4.544 1.266 -1.750 1.00 . A A . 11 VAL HB 1 1 15 4146 1 1 11 VAL HG11 H 6.958 1.260 -2.831 1.00 . A A . 11 VAL HG11 1 1 15 4147 1 1 11 VAL HG12 H 5.644 2.227 -3.503 1.00 . A A . 11 VAL HG12 1 1 15 4148 1 1 11 VAL HG13 H 6.062 0.676 -4.232 1.00 . A A . 11 VAL HG13 1 1 15 4149 1 1 11 VAL HG21 H 3.549 -1.022 -2.612 1.00 . A A . 11 VAL HG21 1 1 15 4150 1 1 11 VAL HG22 H 4.313 -0.514 -4.118 1.00 . A A . 11 VAL HG22 1 1 15 4151 1 1 11 VAL HG23 H 3.100 0.514 -3.353 1.00 . A A . 11 VAL HG23 1 1 15 4152 1 1 11 VAL N N 4.847 -1.163 -0.562 1.00 . A A . 11 VAL N 1 1 15 4153 1 1 11 VAL O O 7.959 0.319 -1.062 1.00 . A A . 11 VAL O 1 1 15 4154 1 1 12 LEU C C 8.520 0.366 1.616 1.00 . A A . 12 LEU C 1 1 15 4155 1 1 12 LEU CA C 7.293 1.247 1.489 1.00 . A A . 12 LEU CA 1 1 15 4156 1 1 12 LEU CB C 6.598 1.328 2.844 1.00 . A A . 12 LEU CB 1 1 15 4157 1 1 12 LEU CD1 C 7.570 3.504 3.627 1.00 . A A . 12 LEU CD1 1 1 15 4158 1 1 12 LEU CD2 C 6.703 1.848 5.294 1.00 . A A . 12 LEU CD2 1 1 15 4159 1 1 12 LEU CG C 7.393 2.027 3.949 1.00 . A A . 12 LEU CG 1 1 15 4160 1 1 12 LEU H H 5.465 0.462 0.805 1.00 . A A . 12 LEU H 1 1 15 4161 1 1 12 LEU HA H 7.566 2.232 1.144 1.00 . A A . 12 LEU HA 1 1 15 4162 1 1 12 LEU HB2 H 5.660 1.846 2.714 1.00 . A A . 12 LEU HB2 1 1 15 4163 1 1 12 LEU HB3 H 6.386 0.309 3.165 1.00 . A A . 12 LEU HB3 1 1 15 4164 1 1 12 LEU HD11 H 8.594 3.792 3.811 1.00 . A A . 12 LEU HD11 1 1 15 4165 1 1 12 LEU HD12 H 6.913 4.090 4.253 1.00 . A A . 12 LEU HD12 1 1 15 4166 1 1 12 LEU HD13 H 7.327 3.679 2.589 1.00 . A A . 12 LEU HD13 1 1 15 4167 1 1 12 LEU HD21 H 7.191 1.061 5.848 1.00 . A A . 12 LEU HD21 1 1 15 4168 1 1 12 LEU HD22 H 5.666 1.588 5.135 1.00 . A A . 12 LEU HD22 1 1 15 4169 1 1 12 LEU HD23 H 6.759 2.771 5.854 1.00 . A A . 12 LEU HD23 1 1 15 4170 1 1 12 LEU HG H 8.374 1.581 4.014 1.00 . A A . 12 LEU HG 1 1 15 4171 1 1 12 LEU N N 6.392 0.630 0.536 1.00 . A A . 12 LEU N 1 1 15 4172 1 1 12 LEU O O 9.652 0.835 1.743 1.00 . A A . 12 LEU O 1 1 15 4173 1 1 13 LYS C C 9.951 -2.132 0.297 1.00 . A A . 13 LYS C 1 1 15 4174 1 1 13 LYS CA C 9.273 -1.953 1.646 1.00 . A A . 13 LYS CA 1 1 15 4175 1 1 13 LYS CB C 8.636 -3.275 2.065 1.00 . A A . 13 LYS CB 1 1 15 4176 1 1 13 LYS CD C 9.116 -3.485 4.523 1.00 . A A . 13 LYS CD 1 1 15 4177 1 1 13 LYS CE C 9.822 -2.193 4.900 1.00 . A A . 13 LYS CE 1 1 15 4178 1 1 13 LYS CG C 8.048 -3.251 3.466 1.00 . A A . 13 LYS CG 1 1 15 4179 1 1 13 LYS H H 7.317 -1.213 1.442 1.00 . A A . 13 LYS H 1 1 15 4180 1 1 13 LYS HA H 9.992 -1.652 2.382 1.00 . A A . 13 LYS HA 1 1 15 4181 1 1 13 LYS HB2 H 7.842 -3.506 1.365 1.00 . A A . 13 LYS HB2 1 1 15 4182 1 1 13 LYS HB3 H 9.383 -4.052 2.020 1.00 . A A . 13 LYS HB3 1 1 15 4183 1 1 13 LYS HD2 H 8.651 -3.899 5.406 1.00 . A A . 13 LYS HD2 1 1 15 4184 1 1 13 LYS HD3 H 9.844 -4.183 4.136 1.00 . A A . 13 LYS HD3 1 1 15 4185 1 1 13 LYS HE2 H 10.782 -2.165 4.406 1.00 . A A . 13 LYS HE2 1 1 15 4186 1 1 13 LYS HE3 H 9.222 -1.359 4.566 1.00 . A A . 13 LYS HE3 1 1 15 4187 1 1 13 LYS HG2 H 7.591 -2.289 3.639 1.00 . A A . 13 LYS HG2 1 1 15 4188 1 1 13 LYS HG3 H 7.300 -4.027 3.545 1.00 . A A . 13 LYS HG3 1 1 15 4189 1 1 13 LYS HZ1 H 10.182 -3.025 6.782 1.00 . A A . 13 LYS HZ1 1 1 15 4190 1 1 13 LYS HZ2 H 9.198 -1.651 6.819 1.00 . A A . 13 LYS HZ2 1 1 15 4191 1 1 13 LYS HZ3 H 10.863 -1.490 6.570 1.00 . A A . 13 LYS HZ3 1 1 15 4192 1 1 13 LYS N N 8.251 -0.932 1.559 1.00 . A A . 13 LYS N 1 1 15 4193 1 1 13 LYS NZ N 10.031 -2.082 6.370 1.00 . A A . 13 LYS NZ 1 1 15 4194 1 1 13 LYS O O 11.148 -2.406 0.212 1.00 . A A . 13 LYS O 1 1 15 4195 1 1 14 VAL C C 10.363 -0.865 -2.583 1.00 . A A . 14 VAL C 1 1 15 4196 1 1 14 VAL CA C 9.631 -2.122 -2.111 1.00 . A A . 14 VAL CA 1 1 15 4197 1 1 14 VAL CB C 8.442 -2.438 -3.049 1.00 . A A . 14 VAL CB 1 1 15 4198 1 1 14 VAL CG1 C 8.073 -1.242 -3.921 1.00 . A A . 14 VAL CG1 1 1 15 4199 1 1 14 VAL CG2 C 8.742 -3.659 -3.907 1.00 . A A . 14 VAL CG2 1 1 15 4200 1 1 14 VAL H H 8.220 -1.765 -0.612 1.00 . A A . 14 VAL H 1 1 15 4201 1 1 14 VAL HA H 10.306 -2.954 -2.130 1.00 . A A . 14 VAL HA 1 1 15 4202 1 1 14 VAL HB H 7.587 -2.668 -2.424 1.00 . A A . 14 VAL HB 1 1 15 4203 1 1 14 VAL HG11 H 7.110 -1.414 -4.378 1.00 . A A . 14 VAL HG11 1 1 15 4204 1 1 14 VAL HG12 H 8.819 -1.114 -4.691 1.00 . A A . 14 VAL HG12 1 1 15 4205 1 1 14 VAL HG13 H 8.028 -0.352 -3.311 1.00 . A A . 14 VAL HG13 1 1 15 4206 1 1 14 VAL HG21 H 7.889 -4.321 -3.902 1.00 . A A . 14 VAL HG21 1 1 15 4207 1 1 14 VAL HG22 H 9.601 -4.178 -3.508 1.00 . A A . 14 VAL HG22 1 1 15 4208 1 1 14 VAL HG23 H 8.949 -3.346 -4.920 1.00 . A A . 14 VAL HG23 1 1 15 4209 1 1 14 VAL N N 9.157 -1.977 -0.755 1.00 . A A . 14 VAL N 1 1 15 4210 1 1 14 VAL O O 10.818 -0.792 -3.724 1.00 . A A . 14 VAL O 1 1 15 4211 1 1 15 LEU C C 12.314 1.622 -1.112 1.00 . A A . 15 LEU C 1 1 15 4212 1 1 15 LEU CA C 11.110 1.382 -2.020 1.00 . A A . 15 LEU CA 1 1 15 4213 1 1 15 LEU CB C 10.100 2.518 -1.872 1.00 . A A . 15 LEU CB 1 1 15 4214 1 1 15 LEU CD1 C 8.788 4.372 -2.934 1.00 . A A . 15 LEU CD1 1 1 15 4215 1 1 15 LEU CD2 C 11.265 4.248 -3.262 1.00 . A A . 15 LEU CD2 1 1 15 4216 1 1 15 LEU CG C 9.984 3.445 -3.083 1.00 . A A . 15 LEU CG 1 1 15 4217 1 1 15 LEU H H 10.063 0.010 -0.812 1.00 . A A . 15 LEU H 1 1 15 4218 1 1 15 LEU HA H 11.446 1.341 -3.045 1.00 . A A . 15 LEU HA 1 1 15 4219 1 1 15 LEU HB2 H 9.129 2.073 -1.686 1.00 . A A . 15 LEU HB2 1 1 15 4220 1 1 15 LEU HB3 H 10.374 3.111 -1.013 1.00 . A A . 15 LEU HB3 1 1 15 4221 1 1 15 LEU HD11 H 8.590 4.859 -3.877 1.00 . A A . 15 LEU HD11 1 1 15 4222 1 1 15 LEU HD12 H 9.002 5.117 -2.182 1.00 . A A . 15 LEU HD12 1 1 15 4223 1 1 15 LEU HD13 H 7.923 3.798 -2.637 1.00 . A A . 15 LEU HD13 1 1 15 4224 1 1 15 LEU HD21 H 12.079 3.743 -2.762 1.00 . A A . 15 LEU HD21 1 1 15 4225 1 1 15 LEU HD22 H 11.135 5.232 -2.835 1.00 . A A . 15 LEU HD22 1 1 15 4226 1 1 15 LEU HD23 H 11.488 4.339 -4.314 1.00 . A A . 15 LEU HD23 1 1 15 4227 1 1 15 LEU HG H 9.836 2.849 -3.972 1.00 . A A . 15 LEU HG 1 1 15 4228 1 1 15 LEU N N 10.455 0.124 -1.700 1.00 . A A . 15 LEU N 1 1 15 4229 1 1 15 LEU O O 12.186 1.398 0.110 1.00 . A A . 15 LEU O 1 1 15 4230 1 1 15 LEU OXT O 13.373 2.030 -1.632 1.00 . A A . 15 LEU OXT 1 1 16 4231 1 1 1 LYS C C -6.260 1.883 4.573 1.00 . A A . 1 LYS C 1 1 16 4232 1 1 1 LYS CA C -5.881 3.348 4.561 1.00 . A A . 1 LYS CA 1 1 16 4233 1 1 1 LYS CB C -6.818 4.144 5.476 1.00 . A A . 1 LYS CB 1 1 16 4234 1 1 1 LYS CD C -9.277 4.180 6.014 1.00 . A A . 1 LYS CD 1 1 16 4235 1 1 1 LYS CE C -10.683 4.356 5.457 1.00 . A A . 1 LYS CE 1 1 16 4236 1 1 1 LYS CG C -8.225 4.322 4.924 1.00 . A A . 1 LYS CG 1 1 16 4237 1 1 1 LYS H1 H -5.361 4.781 3.173 1.00 . A A . 1 LYS H1 1 1 16 4238 1 1 1 LYS H2 H -6.935 4.132 2.970 1.00 . A A . 1 LYS H2 1 1 16 4239 1 1 1 LYS H3 H -5.562 3.205 2.531 1.00 . A A . 1 LYS H3 1 1 16 4240 1 1 1 LYS HA H -4.882 3.436 4.917 1.00 . A A . 1 LYS HA 1 1 16 4241 1 1 1 LYS HB2 H -6.892 3.630 6.421 1.00 . A A . 1 LYS HB2 1 1 16 4242 1 1 1 LYS HB3 H -6.393 5.122 5.641 1.00 . A A . 1 LYS HB3 1 1 16 4243 1 1 1 LYS HD2 H -9.196 3.199 6.455 1.00 . A A . 1 LYS HD2 1 1 16 4244 1 1 1 LYS HD3 H -9.102 4.934 6.768 1.00 . A A . 1 LYS HD3 1 1 16 4245 1 1 1 LYS HE2 H -11.084 5.293 5.814 1.00 . A A . 1 LYS HE2 1 1 16 4246 1 1 1 LYS HE3 H -10.631 4.377 4.379 1.00 . A A . 1 LYS HE3 1 1 16 4247 1 1 1 LYS HG2 H -8.307 5.304 4.486 1.00 . A A . 1 LYS HG2 1 1 16 4248 1 1 1 LYS HG3 H -8.402 3.572 4.167 1.00 . A A . 1 LYS HG3 1 1 16 4249 1 1 1 LYS HZ1 H -12.383 3.634 6.436 1.00 . A A . 1 LYS HZ1 1 1 16 4250 1 1 1 LYS HZ2 H -11.077 2.560 6.453 1.00 . A A . 1 LYS HZ2 1 1 16 4251 1 1 1 LYS HZ3 H -11.979 2.771 5.037 1.00 . A A . 1 LYS HZ3 1 1 16 4252 1 1 1 LYS N N -5.941 3.918 3.186 1.00 . A A . 1 LYS N 1 1 16 4253 1 1 1 LYS NZ N -11.594 3.253 5.875 1.00 . A A . 1 LYS NZ 1 1 16 4254 1 1 1 LYS O O -5.787 1.104 5.400 1.00 . A A . 1 LYS O 1 1 16 4255 1 1 2 TRP C C -6.836 -0.913 2.936 1.00 . A A . 2 TRP C 1 1 16 4256 1 1 2 TRP CA C -7.695 0.186 3.612 1.00 . A A . 2 TRP CA 1 1 16 4257 1 1 2 TRP CB C -9.111 0.201 3.055 1.00 . A A . 2 TRP CB 1 1 16 4258 1 1 2 TRP CD1 C -10.480 2.169 2.327 1.00 . A A . 2 TRP CD1 1 1 16 4259 1 1 2 TRP CD2 C -8.463 2.071 1.487 1.00 . A A . 2 TRP CD2 1 1 16 4260 1 1 2 TRP CE2 C -9.069 3.203 0.954 1.00 . A A . 2 TRP CE2 1 1 16 4261 1 1 2 TRP CE3 C -7.179 1.751 1.162 1.00 . A A . 2 TRP CE3 1 1 16 4262 1 1 2 TRP CG C -9.382 1.430 2.307 1.00 . A A . 2 TRP CG 1 1 16 4263 1 1 2 TRP CH2 C -7.102 3.708 -0.236 1.00 . A A . 2 TRP CH2 1 1 16 4264 1 1 2 TRP CZ2 C -8.398 4.044 0.074 1.00 . A A . 2 TRP CZ2 1 1 16 4265 1 1 2 TRP CZ3 C -6.500 2.564 0.317 1.00 . A A . 2 TRP CZ3 1 1 16 4266 1 1 2 TRP H H -7.528 2.232 3.122 1.00 . A A . 2 TRP H 1 1 16 4267 1 1 2 TRP HA H -7.769 -0.078 4.593 1.00 . A A . 2 TRP HA 1 1 16 4268 1 1 2 TRP HB2 H -9.246 -0.628 2.390 1.00 . A A . 2 TRP HB2 1 1 16 4269 1 1 2 TRP HB3 H -9.814 0.136 3.866 1.00 . A A . 2 TRP HB3 1 1 16 4270 1 1 2 TRP HD1 H -11.326 1.920 2.911 1.00 . A A . 2 TRP HD1 1 1 16 4271 1 1 2 TRP HE1 H -11.003 3.924 1.301 1.00 . A A . 2 TRP HE1 1 1 16 4272 1 1 2 TRP HE3 H -6.703 0.873 1.608 1.00 . A A . 2 TRP HE3 1 1 16 4273 1 1 2 TRP HH2 H -6.524 4.328 -0.905 1.00 . A A . 2 TRP HH2 1 1 16 4274 1 1 2 TRP HZ2 H -8.859 4.924 -0.351 1.00 . A A . 2 TRP HZ2 1 1 16 4275 1 1 2 TRP HZ3 H -5.496 2.320 0.080 1.00 . A A . 2 TRP HZ3 1 1 16 4276 1 1 2 TRP N N -7.160 1.539 3.689 1.00 . A A . 2 TRP N 1 1 16 4277 1 1 2 TRP NE1 N -10.333 3.247 1.481 1.00 . A A . 2 TRP NE1 1 1 16 4278 1 1 2 TRP O O -5.884 -1.405 3.540 1.00 . A A . 2 TRP O 1 1 16 4279 1 1 3 LYS C C -5.407 -1.975 0.158 1.00 . A A . 3 LYS C 1 1 16 4280 1 1 3 LYS CA C -6.519 -2.456 1.042 1.00 . A A . 3 LYS CA 1 1 16 4281 1 1 3 LYS CB C -7.505 -3.306 0.239 1.00 . A A . 3 LYS CB 1 1 16 4282 1 1 3 LYS CD C -6.754 -4.932 -1.526 1.00 . A A . 3 LYS CD 1 1 16 4283 1 1 3 LYS CE C -7.927 -5.630 -2.193 1.00 . A A . 3 LYS CE 1 1 16 4284 1 1 3 LYS CG C -7.006 -4.714 -0.043 1.00 . A A . 3 LYS CG 1 1 16 4285 1 1 3 LYS H H -7.993 -0.969 1.284 1.00 . A A . 3 LYS H 1 1 16 4286 1 1 3 LYS HA H -6.087 -3.052 1.799 1.00 . A A . 3 LYS HA 1 1 16 4287 1 1 3 LYS HB2 H -8.430 -3.380 0.791 1.00 . A A . 3 LYS HB2 1 1 16 4288 1 1 3 LYS HB3 H -7.697 -2.818 -0.706 1.00 . A A . 3 LYS HB3 1 1 16 4289 1 1 3 LYS HD2 H -6.601 -3.974 -2.000 1.00 . A A . 3 LYS HD2 1 1 16 4290 1 1 3 LYS HD3 H -5.868 -5.540 -1.645 1.00 . A A . 3 LYS HD3 1 1 16 4291 1 1 3 LYS HE2 H -7.551 -6.262 -2.985 1.00 . A A . 3 LYS HE2 1 1 16 4292 1 1 3 LYS HE3 H -8.432 -6.239 -1.458 1.00 . A A . 3 LYS HE3 1 1 16 4293 1 1 3 LYS HG2 H -6.083 -4.872 0.495 1.00 . A A . 3 LYS HG2 1 1 16 4294 1 1 3 LYS HG3 H -7.748 -5.422 0.296 1.00 . A A . 3 LYS HG3 1 1 16 4295 1 1 3 LYS HZ1 H -8.708 -4.521 -3.781 1.00 . A A . 3 LYS HZ1 1 1 16 4296 1 1 3 LYS HZ2 H -8.817 -3.742 -2.284 1.00 . A A . 3 LYS HZ2 1 1 16 4297 1 1 3 LYS HZ3 H -9.870 -5.013 -2.654 1.00 . A A . 3 LYS HZ3 1 1 16 4298 1 1 3 LYS N N -7.216 -1.356 1.717 1.00 . A A . 3 LYS N 1 1 16 4299 1 1 3 LYS NZ N -8.898 -4.659 -2.769 1.00 . A A . 3 LYS NZ 1 1 16 4300 1 1 3 LYS O O -4.557 -2.738 -0.294 1.00 . A A . 3 LYS O 1 1 16 4301 1 1 4 LEU C C -3.332 0.492 0.135 1.00 . A A . 4 LEU C 1 1 16 4302 1 1 4 LEU CA C -4.365 -0.079 -0.811 1.00 . A A . 4 LEU CA 1 1 16 4303 1 1 4 LEU CB C -4.914 1.001 -1.695 1.00 . A A . 4 LEU CB 1 1 16 4304 1 1 4 LEU CD1 C -6.307 0.340 -3.673 1.00 . A A . 4 LEU CD1 1 1 16 4305 1 1 4 LEU CD2 C -4.351 1.869 -3.983 1.00 . A A . 4 LEU CD2 1 1 16 4306 1 1 4 LEU CG C -4.907 0.691 -3.194 1.00 . A A . 4 LEU CG 1 1 16 4307 1 1 4 LEU H H -6.078 -0.176 0.391 1.00 . A A . 4 LEU H 1 1 16 4308 1 1 4 LEU HA H -3.905 -0.839 -1.424 1.00 . A A . 4 LEU HA 1 1 16 4309 1 1 4 LEU HB2 H -5.926 1.190 -1.386 1.00 . A A . 4 LEU HB2 1 1 16 4310 1 1 4 LEU HB3 H -4.318 1.876 -1.520 1.00 . A A . 4 LEU HB3 1 1 16 4311 1 1 4 LEU HD11 H -6.858 1.248 -3.871 1.00 . A A . 4 LEU HD11 1 1 16 4312 1 1 4 LEU HD12 H -6.816 -0.229 -2.910 1.00 . A A . 4 LEU HD12 1 1 16 4313 1 1 4 LEU HD13 H -6.242 -0.247 -4.577 1.00 . A A . 4 LEU HD13 1 1 16 4314 1 1 4 LEU HD21 H -4.447 2.771 -3.398 1.00 . A A . 4 LEU HD21 1 1 16 4315 1 1 4 LEU HD22 H -4.903 1.977 -4.905 1.00 . A A . 4 LEU HD22 1 1 16 4316 1 1 4 LEU HD23 H -3.310 1.694 -4.207 1.00 . A A . 4 LEU HD23 1 1 16 4317 1 1 4 LEU HG H -4.271 -0.163 -3.374 1.00 . A A . 4 LEU HG 1 1 16 4318 1 1 4 LEU N N -5.397 -0.707 -0.037 1.00 . A A . 4 LEU N 1 1 16 4319 1 1 4 LEU O O -2.158 0.589 -0.204 1.00 . A A . 4 LEU O 1 1 16 4320 1 1 5 PHE C C -1.821 0.202 2.593 1.00 . A A . 5 PHE C 1 1 16 4321 1 1 5 PHE CA C -2.834 1.289 2.370 1.00 . A A . 5 PHE CA 1 1 16 4322 1 1 5 PHE CB C -3.563 1.594 3.666 1.00 . A A . 5 PHE CB 1 1 16 4323 1 1 5 PHE CD1 C -2.333 0.663 5.647 1.00 . A A . 5 PHE CD1 1 1 16 4324 1 1 5 PHE CD2 C -2.077 2.976 5.134 1.00 . A A . 5 PHE CD2 1 1 16 4325 1 1 5 PHE CE1 C -1.470 0.800 6.717 1.00 . A A . 5 PHE CE1 1 1 16 4326 1 1 5 PHE CE2 C -1.216 3.122 6.206 1.00 . A A . 5 PHE CE2 1 1 16 4327 1 1 5 PHE CG C -2.646 1.748 4.846 1.00 . A A . 5 PHE CG 1 1 16 4328 1 1 5 PHE CZ C -0.911 2.032 6.997 1.00 . A A . 5 PHE CZ 1 1 16 4329 1 1 5 PHE H H -4.703 0.644 1.617 1.00 . A A . 5 PHE H 1 1 16 4330 1 1 5 PHE HA H -2.345 2.175 2.000 1.00 . A A . 5 PHE HA 1 1 16 4331 1 1 5 PHE HB2 H -4.100 2.511 3.539 1.00 . A A . 5 PHE HB2 1 1 16 4332 1 1 5 PHE HB3 H -4.262 0.790 3.877 1.00 . A A . 5 PHE HB3 1 1 16 4333 1 1 5 PHE HD1 H -2.772 -0.300 5.429 1.00 . A A . 5 PHE HD1 1 1 16 4334 1 1 5 PHE HD2 H -2.314 3.826 4.512 1.00 . A A . 5 PHE HD2 1 1 16 4335 1 1 5 PHE HE1 H -1.235 -0.054 7.335 1.00 . A A . 5 PHE HE1 1 1 16 4336 1 1 5 PHE HE2 H -0.781 4.086 6.422 1.00 . A A . 5 PHE HE2 1 1 16 4337 1 1 5 PHE HZ H -0.237 2.142 7.834 1.00 . A A . 5 PHE HZ 1 1 16 4338 1 1 5 PHE N N -3.762 0.803 1.366 1.00 . A A . 5 PHE N 1 1 16 4339 1 1 5 PHE O O -0.673 0.436 2.972 1.00 . A A . 5 PHE O 1 1 16 4340 1 1 6 LYS C C -0.671 -2.303 1.121 1.00 . A A . 6 LYS C 1 1 16 4341 1 1 6 LYS CA C -1.481 -2.167 2.398 1.00 . A A . 6 LYS CA 1 1 16 4342 1 1 6 LYS CB C -2.364 -3.387 2.663 1.00 . A A . 6 LYS CB 1 1 16 4343 1 1 6 LYS CD C -3.071 -5.432 1.382 1.00 . A A . 6 LYS CD 1 1 16 4344 1 1 6 LYS CE C -2.732 -5.931 -0.015 1.00 . A A . 6 LYS CE 1 1 16 4345 1 1 6 LYS CG C -3.105 -3.912 1.446 1.00 . A A . 6 LYS CG 1 1 16 4346 1 1 6 LYS H H -3.191 -1.074 1.971 1.00 . A A . 6 LYS H 1 1 16 4347 1 1 6 LYS HA H -0.817 -2.026 3.225 1.00 . A A . 6 LYS HA 1 1 16 4348 1 1 6 LYS HB2 H -1.753 -4.182 3.059 1.00 . A A . 6 LYS HB2 1 1 16 4349 1 1 6 LYS HB3 H -3.102 -3.107 3.404 1.00 . A A . 6 LYS HB3 1 1 16 4350 1 1 6 LYS HD2 H -2.324 -5.796 2.072 1.00 . A A . 6 LYS HD2 1 1 16 4351 1 1 6 LYS HD3 H -4.041 -5.815 1.666 1.00 . A A . 6 LYS HD3 1 1 16 4352 1 1 6 LYS HE2 H -2.566 -5.080 -0.657 1.00 . A A . 6 LYS HE2 1 1 16 4353 1 1 6 LYS HE3 H -1.830 -6.524 0.037 1.00 . A A . 6 LYS HE3 1 1 16 4354 1 1 6 LYS HG2 H -4.135 -3.587 1.506 1.00 . A A . 6 LYS HG2 1 1 16 4355 1 1 6 LYS HG3 H -2.650 -3.508 0.552 1.00 . A A . 6 LYS HG3 1 1 16 4356 1 1 6 LYS HZ1 H -3.905 -6.594 -1.611 1.00 . A A . 6 LYS HZ1 1 1 16 4357 1 1 6 LYS HZ2 H -4.732 -6.520 -0.137 1.00 . A A . 6 LYS HZ2 1 1 16 4358 1 1 6 LYS HZ3 H -3.631 -7.770 -0.426 1.00 . A A . 6 LYS HZ3 1 1 16 4359 1 1 6 LYS N N -2.281 -0.994 2.298 1.00 . A A . 6 LYS N 1 1 16 4360 1 1 6 LYS NZ N -3.826 -6.762 -0.587 1.00 . A A . 6 LYS NZ 1 1 16 4361 1 1 6 LYS O O 0.447 -2.818 1.132 1.00 . A A . 6 LYS O 1 1 16 4362 1 1 7 LYS C C 0.459 -0.651 -1.290 1.00 . A A . 7 LYS C 1 1 16 4363 1 1 7 LYS CA C -0.516 -1.798 -1.247 1.00 . A A . 7 LYS CA 1 1 16 4364 1 1 7 LYS CB C -1.487 -1.730 -2.428 1.00 . A A . 7 LYS CB 1 1 16 4365 1 1 7 LYS CD C -0.209 -1.782 -4.594 1.00 . A A . 7 LYS CD 1 1 16 4366 1 1 7 LYS CE C -0.978 -0.607 -5.176 1.00 . A A . 7 LYS CE 1 1 16 4367 1 1 7 LYS CG C -1.060 -2.578 -3.616 1.00 . A A . 7 LYS CG 1 1 16 4368 1 1 7 LYS H H -2.113 -1.337 0.065 1.00 . A A . 7 LYS H 1 1 16 4369 1 1 7 LYS HA H 0.047 -2.696 -1.293 1.00 . A A . 7 LYS HA 1 1 16 4370 1 1 7 LYS HB2 H -2.458 -2.072 -2.100 1.00 . A A . 7 LYS HB2 1 1 16 4371 1 1 7 LYS HB3 H -1.568 -0.705 -2.754 1.00 . A A . 7 LYS HB3 1 1 16 4372 1 1 7 LYS HD2 H 0.662 -1.409 -4.078 1.00 . A A . 7 LYS HD2 1 1 16 4373 1 1 7 LYS HD3 H 0.098 -2.433 -5.399 1.00 . A A . 7 LYS HD3 1 1 16 4374 1 1 7 LYS HE2 H -2.033 -0.838 -5.157 1.00 . A A . 7 LYS HE2 1 1 16 4375 1 1 7 LYS HE3 H -0.793 0.266 -4.567 1.00 . A A . 7 LYS HE3 1 1 16 4376 1 1 7 LYS HG2 H -0.485 -3.419 -3.258 1.00 . A A . 7 LYS HG2 1 1 16 4377 1 1 7 LYS HG3 H -1.943 -2.933 -4.127 1.00 . A A . 7 LYS HG3 1 1 16 4378 1 1 7 LYS HZ1 H -0.565 -1.191 -7.139 1.00 . A A . 7 LYS HZ1 1 1 16 4379 1 1 7 LYS HZ2 H 0.382 0.100 -6.595 1.00 . A A . 7 LYS HZ2 1 1 16 4380 1 1 7 LYS HZ3 H -1.236 0.357 -7.011 1.00 . A A . 7 LYS HZ3 1 1 16 4381 1 1 7 LYS N N -1.224 -1.779 0.018 1.00 . A A . 7 LYS N 1 1 16 4382 1 1 7 LYS NZ N -0.571 -0.315 -6.578 1.00 . A A . 7 LYS NZ 1 1 16 4383 1 1 7 LYS O O 1.399 -0.643 -2.086 1.00 . A A . 7 LYS O 1 1 16 4384 1 1 8 ILE C C 2.128 1.271 0.799 1.00 . A A . 8 ILE C 1 1 16 4385 1 1 8 ILE CA C 1.131 1.447 -0.331 1.00 . A A . 8 ILE CA 1 1 16 4386 1 1 8 ILE CB C 0.342 2.767 -0.155 1.00 . A A . 8 ILE CB 1 1 16 4387 1 1 8 ILE CD1 C -1.793 3.266 -1.448 1.00 . A A . 8 ILE CD1 1 1 16 4388 1 1 8 ILE CG1 C -0.282 3.192 -1.487 1.00 . A A . 8 ILE CG1 1 1 16 4389 1 1 8 ILE CG2 C 1.233 3.872 0.397 1.00 . A A . 8 ILE CG2 1 1 16 4390 1 1 8 ILE H H -0.507 0.235 0.224 1.00 . A A . 8 ILE H 1 1 16 4391 1 1 8 ILE HA H 1.667 1.478 -1.253 1.00 . A A . 8 ILE HA 1 1 16 4392 1 1 8 ILE HB H -0.449 2.589 0.559 1.00 . A A . 8 ILE HB 1 1 16 4393 1 1 8 ILE HD11 H -2.118 3.423 -0.430 1.00 . A A . 8 ILE HD11 1 1 16 4394 1 1 8 ILE HD12 H -2.208 2.342 -1.821 1.00 . A A . 8 ILE HD12 1 1 16 4395 1 1 8 ILE HD13 H -2.129 4.087 -2.063 1.00 . A A . 8 ILE HD13 1 1 16 4396 1 1 8 ILE HG12 H 0.090 4.170 -1.757 1.00 . A A . 8 ILE HG12 1 1 16 4397 1 1 8 ILE HG13 H -0.004 2.483 -2.252 1.00 . A A . 8 ILE HG13 1 1 16 4398 1 1 8 ILE HG21 H 1.578 3.596 1.383 1.00 . A A . 8 ILE HG21 1 1 16 4399 1 1 8 ILE HG22 H 0.671 4.793 0.457 1.00 . A A . 8 ILE HG22 1 1 16 4400 1 1 8 ILE HG23 H 2.083 4.012 -0.255 1.00 . A A . 8 ILE HG23 1 1 16 4401 1 1 8 ILE N N 0.250 0.308 -0.405 1.00 . A A . 8 ILE N 1 1 16 4402 1 1 8 ILE O O 3.257 1.758 0.739 1.00 . A A . 8 ILE O 1 1 16 4403 1 1 9 GLY C C 3.631 -0.719 2.584 1.00 . A A . 9 GLY C 1 1 16 4404 1 1 9 GLY CA C 2.560 0.281 2.945 1.00 . A A . 9 GLY CA 1 1 16 4405 1 1 9 GLY H H 0.800 0.181 1.780 1.00 . A A . 9 GLY H 1 1 16 4406 1 1 9 GLY HA2 H 3.027 1.203 3.263 1.00 . A A . 9 GLY HA2 1 1 16 4407 1 1 9 GLY HA3 H 1.967 -0.114 3.756 1.00 . A A . 9 GLY HA3 1 1 16 4408 1 1 9 GLY N N 1.702 0.550 1.814 1.00 . A A . 9 GLY N 1 1 16 4409 1 1 9 GLY O O 4.761 -0.659 3.073 1.00 . A A . 9 GLY O 1 1 16 4410 1 1 10 ALA C C 5.226 -2.014 0.308 1.00 . A A . 10 ALA C 1 1 16 4411 1 1 10 ALA CA C 4.263 -2.628 1.289 1.00 . A A . 10 ALA CA 1 1 16 4412 1 1 10 ALA CB C 3.605 -3.866 0.708 1.00 . A A . 10 ALA CB 1 1 16 4413 1 1 10 ALA H H 2.395 -1.653 1.319 1.00 . A A . 10 ALA H 1 1 16 4414 1 1 10 ALA HA H 4.819 -2.903 2.173 1.00 . A A . 10 ALA HA 1 1 16 4415 1 1 10 ALA HB1 H 3.442 -4.588 1.493 1.00 . A A . 10 ALA HB1 1 1 16 4416 1 1 10 ALA HB2 H 4.254 -4.292 -0.046 1.00 . A A . 10 ALA HB2 1 1 16 4417 1 1 10 ALA HB3 H 2.661 -3.596 0.261 1.00 . A A . 10 ALA HB3 1 1 16 4418 1 1 10 ALA N N 3.294 -1.644 1.703 1.00 . A A . 10 ALA N 1 1 16 4419 1 1 10 ALA O O 6.422 -2.291 0.355 1.00 . A A . 10 ALA O 1 1 16 4420 1 1 11 VAL C C 6.697 0.227 -0.652 1.00 . A A . 11 VAL C 1 1 16 4421 1 1 11 VAL CA C 5.627 -0.467 -1.476 1.00 . A A . 11 VAL CA 1 1 16 4422 1 1 11 VAL CB C 4.902 0.552 -2.369 1.00 . A A . 11 VAL CB 1 1 16 4423 1 1 11 VAL CG1 C 5.899 1.297 -3.245 1.00 . A A . 11 VAL CG1 1 1 16 4424 1 1 11 VAL CG2 C 3.846 -0.143 -3.212 1.00 . A A . 11 VAL CG2 1 1 16 4425 1 1 11 VAL H H 3.776 -0.906 -0.541 1.00 . A A . 11 VAL H 1 1 16 4426 1 1 11 VAL HA H 6.090 -1.224 -2.091 1.00 . A A . 11 VAL HA 1 1 16 4427 1 1 11 VAL HB H 4.409 1.270 -1.733 1.00 . A A . 11 VAL HB 1 1 16 4428 1 1 11 VAL HG11 H 5.772 2.360 -3.109 1.00 . A A . 11 VAL HG11 1 1 16 4429 1 1 11 VAL HG12 H 5.729 1.043 -4.281 1.00 . A A . 11 VAL HG12 1 1 16 4430 1 1 11 VAL HG13 H 6.903 1.014 -2.965 1.00 . A A . 11 VAL HG13 1 1 16 4431 1 1 11 VAL HG21 H 3.574 -1.078 -2.745 1.00 . A A . 11 VAL HG21 1 1 16 4432 1 1 11 VAL HG22 H 4.242 -0.335 -4.199 1.00 . A A . 11 VAL HG22 1 1 16 4433 1 1 11 VAL HG23 H 2.974 0.488 -3.290 1.00 . A A . 11 VAL HG23 1 1 16 4434 1 1 11 VAL N N 4.733 -1.134 -0.554 1.00 . A A . 11 VAL N 1 1 16 4435 1 1 11 VAL O O 7.852 0.336 -1.057 1.00 . A A . 11 VAL O 1 1 16 4436 1 1 12 LEU C C 8.406 0.340 1.672 1.00 . A A . 12 LEU C 1 1 16 4437 1 1 12 LEU CA C 7.195 1.239 1.509 1.00 . A A . 12 LEU CA 1 1 16 4438 1 1 12 LEU CB C 6.484 1.350 2.853 1.00 . A A . 12 LEU CB 1 1 16 4439 1 1 12 LEU CD1 C 7.711 3.373 3.686 1.00 . A A . 12 LEU CD1 1 1 16 4440 1 1 12 LEU CD2 C 6.565 1.850 5.309 1.00 . A A . 12 LEU CD2 1 1 16 4441 1 1 12 LEU CG C 7.323 1.934 3.991 1.00 . A A . 12 LEU CG 1 1 16 4442 1 1 12 LEU H H 5.369 0.458 0.822 1.00 . A A . 12 LEU H 1 1 16 4443 1 1 12 LEU HA H 7.492 2.214 1.157 1.00 . A A . 12 LEU HA 1 1 16 4444 1 1 12 LEU HB2 H 5.604 1.964 2.725 1.00 . A A . 12 LEU HB2 1 1 16 4445 1 1 12 LEU HB3 H 6.169 0.349 3.141 1.00 . A A . 12 LEU HB3 1 1 16 4446 1 1 12 LEU HD11 H 7.062 3.765 2.917 1.00 . A A . 12 LEU HD11 1 1 16 4447 1 1 12 LEU HD12 H 8.734 3.404 3.343 1.00 . A A . 12 LEU HD12 1 1 16 4448 1 1 12 LEU HD13 H 7.612 3.971 4.579 1.00 . A A . 12 LEU HD13 1 1 16 4449 1 1 12 LEU HD21 H 5.767 1.127 5.220 1.00 . A A . 12 LEU HD21 1 1 16 4450 1 1 12 LEU HD22 H 6.150 2.817 5.548 1.00 . A A . 12 LEU HD22 1 1 16 4451 1 1 12 LEU HD23 H 7.241 1.544 6.094 1.00 . A A . 12 LEU HD23 1 1 16 4452 1 1 12 LEU HG H 8.232 1.358 4.090 1.00 . A A . 12 LEU HG 1 1 16 4453 1 1 12 LEU N N 6.295 0.627 0.552 1.00 . A A . 12 LEU N 1 1 16 4454 1 1 12 LEU O O 9.535 0.795 1.862 1.00 . A A . 12 LEU O 1 1 16 4455 1 1 13 LYS C C 9.865 -2.168 0.384 1.00 . A A . 13 LYS C 1 1 16 4456 1 1 13 LYS CA C 9.139 -1.987 1.704 1.00 . A A . 13 LYS CA 1 1 16 4457 1 1 13 LYS CB C 8.479 -3.305 2.101 1.00 . A A . 13 LYS CB 1 1 16 4458 1 1 13 LYS CD C 7.811 -4.738 4.056 1.00 . A A . 13 LYS CD 1 1 16 4459 1 1 13 LYS CE C 9.163 -5.347 4.388 1.00 . A A . 13 LYS CE 1 1 16 4460 1 1 13 LYS CG C 7.951 -3.320 3.527 1.00 . A A . 13 LYS CG 1 1 16 4461 1 1 13 LYS H H 7.198 -1.224 1.420 1.00 . A A . 13 LYS H 1 1 16 4462 1 1 13 LYS HA H 9.834 -1.690 2.467 1.00 . A A . 13 LYS HA 1 1 16 4463 1 1 13 LYS HB2 H 7.650 -3.487 1.427 1.00 . A A . 13 LYS HB2 1 1 16 4464 1 1 13 LYS HB3 H 9.199 -4.101 1.995 1.00 . A A . 13 LYS HB3 1 1 16 4465 1 1 13 LYS HD2 H 7.206 -4.720 4.951 1.00 . A A . 13 LYS HD2 1 1 16 4466 1 1 13 LYS HD3 H 7.326 -5.346 3.305 1.00 . A A . 13 LYS HD3 1 1 16 4467 1 1 13 LYS HE2 H 9.038 -6.409 4.540 1.00 . A A . 13 LYS HE2 1 1 16 4468 1 1 13 LYS HE3 H 9.833 -5.179 3.557 1.00 . A A . 13 LYS HE3 1 1 16 4469 1 1 13 LYS HG2 H 8.638 -2.778 4.160 1.00 . A A . 13 LYS HG2 1 1 16 4470 1 1 13 LYS HG3 H 6.984 -2.839 3.548 1.00 . A A . 13 LYS HG3 1 1 16 4471 1 1 13 LYS HZ1 H 9.510 -5.324 6.448 1.00 . A A . 13 LYS HZ1 1 1 16 4472 1 1 13 LYS HZ2 H 9.394 -3.786 5.756 1.00 . A A . 13 LYS HZ2 1 1 16 4473 1 1 13 LYS HZ3 H 10.792 -4.709 5.531 1.00 . A A . 13 LYS HZ3 1 1 16 4474 1 1 13 LYS N N 8.129 -0.954 1.583 1.00 . A A . 13 LYS N 1 1 16 4475 1 1 13 LYS NZ N 9.756 -4.749 5.617 1.00 . A A . 13 LYS NZ 1 1 16 4476 1 1 13 LYS O O 11.073 -2.394 0.339 1.00 . A A . 13 LYS O 1 1 16 4477 1 1 14 VAL C C 10.368 -0.971 -2.468 1.00 . A A . 14 VAL C 1 1 16 4478 1 1 14 VAL CA C 9.604 -2.219 -2.030 1.00 . A A . 14 VAL CA 1 1 16 4479 1 1 14 VAL CB C 8.432 -2.497 -2.993 1.00 . A A . 14 VAL CB 1 1 16 4480 1 1 14 VAL CG1 C 8.796 -2.178 -4.438 1.00 . A A . 14 VAL CG1 1 1 16 4481 1 1 14 VAL CG2 C 7.969 -3.940 -2.861 1.00 . A A . 14 VAL CG2 1 1 16 4482 1 1 14 VAL H H 8.145 -1.887 -0.570 1.00 . A A . 14 VAL H 1 1 16 4483 1 1 14 VAL HA H 10.261 -3.061 -2.037 1.00 . A A . 14 VAL HA 1 1 16 4484 1 1 14 VAL HB H 7.612 -1.858 -2.697 1.00 . A A . 14 VAL HB 1 1 16 4485 1 1 14 VAL HG11 H 9.780 -2.566 -4.656 1.00 . A A . 14 VAL HG11 1 1 16 4486 1 1 14 VAL HG12 H 8.790 -1.109 -4.584 1.00 . A A . 14 VAL HG12 1 1 16 4487 1 1 14 VAL HG13 H 8.075 -2.636 -5.100 1.00 . A A . 14 VAL HG13 1 1 16 4488 1 1 14 VAL HG21 H 6.890 -3.973 -2.855 1.00 . A A . 14 VAL HG21 1 1 16 4489 1 1 14 VAL HG22 H 8.346 -4.357 -1.939 1.00 . A A . 14 VAL HG22 1 1 16 4490 1 1 14 VAL HG23 H 8.342 -4.516 -3.695 1.00 . A A . 14 VAL HG23 1 1 16 4491 1 1 14 VAL N N 9.094 -2.068 -0.687 1.00 . A A . 14 VAL N 1 1 16 4492 1 1 14 VAL O O 10.998 -0.945 -3.526 1.00 . A A . 14 VAL O 1 1 16 4493 1 1 15 LEU C C 12.388 1.327 -1.377 1.00 . A A . 15 LEU C 1 1 16 4494 1 1 15 LEU CA C 10.960 1.325 -1.917 1.00 . A A . 15 LEU CA 1 1 16 4495 1 1 15 LEU CB C 10.151 2.455 -1.286 1.00 . A A . 15 LEU CB 1 1 16 4496 1 1 15 LEU CD1 C 8.895 3.020 -3.381 1.00 . A A . 15 LEU CD1 1 1 16 4497 1 1 15 LEU CD2 C 8.991 4.666 -1.500 1.00 . A A . 15 LEU CD2 1 1 16 4498 1 1 15 LEU CG C 9.742 3.573 -2.246 1.00 . A A . 15 LEU CG 1 1 16 4499 1 1 15 LEU H H 9.777 -0.028 -0.820 1.00 . A A . 15 LEU H 1 1 16 4500 1 1 15 LEU HA H 10.988 1.465 -2.986 1.00 . A A . 15 LEU HA 1 1 16 4501 1 1 15 LEU HB2 H 9.253 2.021 -0.862 1.00 . A A . 15 LEU HB2 1 1 16 4502 1 1 15 LEU HB3 H 10.733 2.888 -0.487 1.00 . A A . 15 LEU HB3 1 1 16 4503 1 1 15 LEU HD11 H 9.070 1.958 -3.477 1.00 . A A . 15 LEU HD11 1 1 16 4504 1 1 15 LEU HD12 H 9.163 3.513 -4.304 1.00 . A A . 15 LEU HD12 1 1 16 4505 1 1 15 LEU HD13 H 7.850 3.195 -3.169 1.00 . A A . 15 LEU HD13 1 1 16 4506 1 1 15 LEU HD21 H 8.512 4.243 -0.629 1.00 . A A . 15 LEU HD21 1 1 16 4507 1 1 15 LEU HD22 H 8.242 5.096 -2.149 1.00 . A A . 15 LEU HD22 1 1 16 4508 1 1 15 LEU HD23 H 9.685 5.434 -1.192 1.00 . A A . 15 LEU HD23 1 1 16 4509 1 1 15 LEU HG H 10.631 4.012 -2.677 1.00 . A A . 15 LEU HG 1 1 16 4510 1 1 15 LEU N N 10.298 0.061 -1.642 1.00 . A A . 15 LEU N 1 1 16 4511 1 1 15 LEU O O 12.553 1.237 -0.142 1.00 . A A . 15 LEU O 1 1 16 4512 1 1 15 LEU OXT O 13.328 1.416 -2.194 1.00 . A A . 15 LEU OXT 1 1 17 4513 1 1 1 LYS C C -6.713 1.739 4.208 1.00 . A A . 1 LYS C 1 1 17 4514 1 1 1 LYS CA C -6.357 3.210 4.261 1.00 . A A . 1 LYS CA 1 1 17 4515 1 1 1 LYS CB C -7.415 3.986 5.049 1.00 . A A . 1 LYS CB 1 1 17 4516 1 1 1 LYS CD C -9.839 4.576 5.354 1.00 . A A . 1 LYS CD 1 1 17 4517 1 1 1 LYS CE C -11.188 4.616 4.656 1.00 . A A . 1 LYS CE 1 1 17 4518 1 1 1 LYS CG C -8.841 3.724 4.589 1.00 . A A . 1 LYS CG 1 1 17 4519 1 1 1 LYS H1 H -5.816 3.079 2.279 1.00 . A A . 1 LYS H1 1 1 17 4520 1 1 1 LYS H2 H -5.671 4.648 2.959 1.00 . A A . 1 LYS H2 1 1 17 4521 1 1 1 LYS H3 H -7.219 4.017 2.574 1.00 . A A . 1 LYS H3 1 1 17 4522 1 1 1 LYS HA H -5.414 3.308 4.741 1.00 . A A . 1 LYS HA 1 1 17 4523 1 1 1 LYS HB2 H -7.342 3.713 6.090 1.00 . A A . 1 LYS HB2 1 1 17 4524 1 1 1 LYS HB3 H -7.217 5.042 4.947 1.00 . A A . 1 LYS HB3 1 1 17 4525 1 1 1 LYS HD2 H -9.970 4.160 6.343 1.00 . A A . 1 LYS HD2 1 1 17 4526 1 1 1 LYS HD3 H -9.455 5.582 5.432 1.00 . A A . 1 LYS HD3 1 1 17 4527 1 1 1 LYS HE2 H -11.469 3.608 4.385 1.00 . A A . 1 LYS HE2 1 1 17 4528 1 1 1 LYS HE3 H -11.922 5.021 5.337 1.00 . A A . 1 LYS HE3 1 1 17 4529 1 1 1 LYS HG2 H -8.919 3.954 3.537 1.00 . A A . 1 LYS HG2 1 1 17 4530 1 1 1 LYS HG3 H -9.074 2.680 4.749 1.00 . A A . 1 LYS HG3 1 1 17 4531 1 1 1 LYS HZ1 H -10.312 5.222 2.860 1.00 . A A . 1 LYS HZ1 1 1 17 4532 1 1 1 LYS HZ2 H -11.118 6.461 3.681 1.00 . A A . 1 LYS HZ2 1 1 17 4533 1 1 1 LYS HZ3 H -12.003 5.282 2.852 1.00 . A A . 1 LYS HZ3 1 1 17 4534 1 1 1 LYS N N -6.257 3.791 2.895 1.00 . A A . 1 LYS N 1 1 17 4535 1 1 1 LYS NZ N -11.153 5.454 3.426 1.00 . A A . 1 LYS NZ 1 1 17 4536 1 1 1 LYS O O -6.284 0.943 5.042 1.00 . A A . 1 LYS O 1 1 17 4537 1 1 2 TRP C C -7.115 -1.017 2.492 1.00 . A A . 2 TRP C 1 1 17 4538 1 1 2 TRP CA C -8.053 0.055 3.100 1.00 . A A . 2 TRP CA 1 1 17 4539 1 1 2 TRP CB C -9.407 0.060 2.405 1.00 . A A . 2 TRP CB 1 1 17 4540 1 1 2 TRP CD1 C -10.737 2.014 1.573 1.00 . A A . 2 TRP CD1 1 1 17 4541 1 1 2 TRP CD2 C -8.643 1.971 0.942 1.00 . A A . 2 TRP CD2 1 1 17 4542 1 1 2 TRP CE2 C -9.216 3.100 0.368 1.00 . A A . 2 TRP CE2 1 1 17 4543 1 1 2 TRP CE3 C -7.327 1.684 0.745 1.00 . A A . 2 TRP CE3 1 1 17 4544 1 1 2 TRP CG C -9.627 1.296 1.653 1.00 . A A . 2 TRP CG 1 1 17 4545 1 1 2 TRP CH2 C -7.151 3.666 -0.606 1.00 . A A . 2 TRP CH2 1 1 17 4546 1 1 2 TRP CZ2 C -8.477 3.971 -0.425 1.00 . A A . 2 TRP CZ2 1 1 17 4547 1 1 2 TRP CZ3 C -6.584 2.524 -0.013 1.00 . A A . 2 TRP CZ3 1 1 17 4548 1 1 2 TRP H H -7.885 2.119 2.685 1.00 . A A . 2 TRP H 1 1 17 4549 1 1 2 TRP HA H -8.218 -0.228 4.063 1.00 . A A . 2 TRP HA 1 1 17 4550 1 1 2 TRP HB2 H -9.462 -0.758 1.716 1.00 . A A . 2 TRP HB2 1 1 17 4551 1 1 2 TRP HB3 H -10.187 -0.031 3.140 1.00 . A A . 2 TRP HB3 1 1 17 4552 1 1 2 TRP HD1 H -11.633 1.736 2.062 1.00 . A A . 2 TRP HD1 1 1 17 4553 1 1 2 TRP HE1 H -11.190 3.775 0.526 1.00 . A A . 2 TRP HE1 1 1 17 4554 1 1 2 TRP HE3 H -6.881 0.808 1.222 1.00 . A A . 2 TRP HE3 1 1 17 4555 1 1 2 TRP HH2 H -6.520 4.309 -1.203 1.00 . A A . 2 TRP HH2 1 1 17 4556 1 1 2 TRP HZ2 H -8.911 4.849 -0.880 1.00 . A A . 2 TRP HZ2 1 1 17 4557 1 1 2 TRP HZ3 H -5.556 2.305 -0.148 1.00 . A A . 2 TRP HZ3 1 1 17 4558 1 1 2 TRP N N -7.545 1.411 3.256 1.00 . A A . 2 TRP N 1 1 17 4559 1 1 2 TRP NE1 N -10.528 3.108 0.763 1.00 . A A . 2 TRP NE1 1 1 17 4560 1 1 2 TRP O O -6.223 -1.512 3.180 1.00 . A A . 2 TRP O 1 1 17 4561 1 1 3 LYS C C -5.398 -1.996 -0.153 1.00 . A A . 3 LYS C 1 1 17 4562 1 1 3 LYS CA C -6.584 -2.509 0.607 1.00 . A A . 3 LYS CA 1 1 17 4563 1 1 3 LYS CB C -7.473 -3.357 -0.305 1.00 . A A . 3 LYS CB 1 1 17 4564 1 1 3 LYS CD C -8.395 -5.087 1.265 1.00 . A A . 3 LYS CD 1 1 17 4565 1 1 3 LYS CE C -8.251 -4.684 2.723 1.00 . A A . 3 LYS CE 1 1 17 4566 1 1 3 LYS CG C -8.717 -3.891 0.385 1.00 . A A . 3 LYS CG 1 1 17 4567 1 1 3 LYS H H -8.095 -1.044 0.730 1.00 . A A . 3 LYS H 1 1 17 4568 1 1 3 LYS HA H -6.220 -3.114 1.393 1.00 . A A . 3 LYS HA 1 1 17 4569 1 1 3 LYS HB2 H -7.784 -2.755 -1.146 1.00 . A A . 3 LYS HB2 1 1 17 4570 1 1 3 LYS HB3 H -6.899 -4.197 -0.667 1.00 . A A . 3 LYS HB3 1 1 17 4571 1 1 3 LYS HD2 H -9.192 -5.811 1.179 1.00 . A A . 3 LYS HD2 1 1 17 4572 1 1 3 LYS HD3 H -7.468 -5.529 0.930 1.00 . A A . 3 LYS HD3 1 1 17 4573 1 1 3 LYS HE2 H -7.835 -5.513 3.275 1.00 . A A . 3 LYS HE2 1 1 17 4574 1 1 3 LYS HE3 H -7.582 -3.839 2.786 1.00 . A A . 3 LYS HE3 1 1 17 4575 1 1 3 LYS HG2 H -9.141 -3.110 0.998 1.00 . A A . 3 LYS HG2 1 1 17 4576 1 1 3 LYS HG3 H -9.433 -4.191 -0.367 1.00 . A A . 3 LYS HG3 1 1 17 4577 1 1 3 LYS HZ1 H -9.429 -4.033 4.322 1.00 . A A . 3 LYS HZ1 1 1 17 4578 1 1 3 LYS HZ2 H -10.216 -5.117 3.288 1.00 . A A . 3 LYS HZ2 1 1 17 4579 1 1 3 LYS HZ3 H -9.979 -3.512 2.810 1.00 . A A . 3 LYS HZ3 1 1 17 4580 1 1 3 LYS N N -7.362 -1.433 1.231 1.00 . A A . 3 LYS N 1 1 17 4581 1 1 3 LYS NZ N -9.560 -4.310 3.328 1.00 . A A . 3 LYS NZ 1 1 17 4582 1 1 3 LYS O O -4.506 -2.745 -0.546 1.00 . A A . 3 LYS O 1 1 17 4583 1 1 4 LEU C C -3.343 0.475 0.097 1.00 . A A . 4 LEU C 1 1 17 4584 1 1 4 LEU CA C -4.275 -0.067 -0.962 1.00 . A A . 4 LEU CA 1 1 17 4585 1 1 4 LEU CB C -4.741 1.044 -1.855 1.00 . A A . 4 LEU CB 1 1 17 4586 1 1 4 LEU CD1 C -5.738 0.279 -4.025 1.00 . A A . 4 LEU CD1 1 1 17 4587 1 1 4 LEU CD2 C -4.065 2.138 -4.008 1.00 . A A . 4 LEU CD2 1 1 17 4588 1 1 4 LEU CG C -4.493 0.834 -3.350 1.00 . A A . 4 LEU CG 1 1 17 4589 1 1 4 LEU H H -6.095 -0.204 0.071 1.00 . A A . 4 LEU H 1 1 17 4590 1 1 4 LEU HA H -3.756 -0.805 -1.553 1.00 . A A . 4 LEU HA 1 1 17 4591 1 1 4 LEU HB2 H -5.796 1.173 -1.694 1.00 . A A . 4 LEU HB2 1 1 17 4592 1 1 4 LEU HB3 H -4.221 1.930 -1.542 1.00 . A A . 4 LEU HB3 1 1 17 4593 1 1 4 LEU HD11 H -5.453 -0.276 -4.906 1.00 . A A . 4 LEU HD11 1 1 17 4594 1 1 4 LEU HD12 H -6.388 1.094 -4.308 1.00 . A A . 4 LEU HD12 1 1 17 4595 1 1 4 LEU HD13 H -6.257 -0.374 -3.340 1.00 . A A . 4 LEU HD13 1 1 17 4596 1 1 4 LEU HD21 H -3.419 2.685 -3.337 1.00 . A A . 4 LEU HD21 1 1 17 4597 1 1 4 LEU HD22 H -4.938 2.733 -4.231 1.00 . A A . 4 LEU HD22 1 1 17 4598 1 1 4 LEU HD23 H -3.534 1.922 -4.923 1.00 . A A . 4 LEU HD23 1 1 17 4599 1 1 4 LEU HG H -3.696 0.117 -3.478 1.00 . A A . 4 LEU HG 1 1 17 4600 1 1 4 LEU N N -5.375 -0.721 -0.308 1.00 . A A . 4 LEU N 1 1 17 4601 1 1 4 LEU O O -2.143 0.586 -0.122 1.00 . A A . 4 LEU O 1 1 17 4602 1 1 5 PHE C C -2.074 0.117 2.677 1.00 . A A . 5 PHE C 1 1 17 4603 1 1 5 PHE CA C -3.070 1.204 2.392 1.00 . A A . 5 PHE CA 1 1 17 4604 1 1 5 PHE CB C -3.933 1.449 3.615 1.00 . A A . 5 PHE CB 1 1 17 4605 1 1 5 PHE CD1 C -2.618 2.754 5.298 1.00 . A A . 5 PHE CD1 1 1 17 4606 1 1 5 PHE CD2 C -2.929 0.422 5.674 1.00 . A A . 5 PHE CD2 1 1 17 4607 1 1 5 PHE CE1 C -1.878 2.848 6.461 1.00 . A A . 5 PHE CE1 1 1 17 4608 1 1 5 PHE CE2 C -2.192 0.508 6.841 1.00 . A A . 5 PHE CE2 1 1 17 4609 1 1 5 PHE CG C -3.150 1.544 4.893 1.00 . A A . 5 PHE CG 1 1 17 4610 1 1 5 PHE CZ C -1.665 1.723 7.234 1.00 . A A . 5 PHE CZ 1 1 17 4611 1 1 5 PHE H H -4.853 0.578 1.439 1.00 . A A . 5 PHE H 1 1 17 4612 1 1 5 PHE HA H -2.560 2.108 2.107 1.00 . A A . 5 PHE HA 1 1 17 4613 1 1 5 PHE HB2 H -4.456 2.372 3.475 1.00 . A A . 5 PHE HB2 1 1 17 4614 1 1 5 PHE HB3 H -4.647 0.637 3.710 1.00 . A A . 5 PHE HB3 1 1 17 4615 1 1 5 PHE HD1 H -2.786 3.633 4.691 1.00 . A A . 5 PHE HD1 1 1 17 4616 1 1 5 PHE HD2 H -3.341 -0.528 5.367 1.00 . A A . 5 PHE HD2 1 1 17 4617 1 1 5 PHE HE1 H -1.469 3.799 6.766 1.00 . A A . 5 PHE HE1 1 1 17 4618 1 1 5 PHE HE2 H -2.027 -0.373 7.443 1.00 . A A . 5 PHE HE2 1 1 17 4619 1 1 5 PHE HZ H -1.086 1.792 8.143 1.00 . A A . 5 PHE HZ 1 1 17 4620 1 1 5 PHE N N -3.891 0.747 1.287 1.00 . A A . 5 PHE N 1 1 17 4621 1 1 5 PHE O O -0.968 0.344 3.166 1.00 . A A . 5 PHE O 1 1 17 4622 1 1 6 LYS C C -0.815 -2.382 1.233 1.00 . A A . 6 LYS C 1 1 17 4623 1 1 6 LYS CA C -1.714 -2.250 2.451 1.00 . A A . 6 LYS CA 1 1 17 4624 1 1 6 LYS CB C -2.624 -3.467 2.630 1.00 . A A . 6 LYS CB 1 1 17 4625 1 1 6 LYS CD C -3.245 -5.476 1.253 1.00 . A A . 6 LYS CD 1 1 17 4626 1 1 6 LYS CE C -4.405 -6.004 0.424 1.00 . A A . 6 LYS CE 1 1 17 4627 1 1 6 LYS CG C -3.272 -3.958 1.348 1.00 . A A . 6 LYS CG 1 1 17 4628 1 1 6 LYS H H -3.379 -1.143 1.903 1.00 . A A . 6 LYS H 1 1 17 4629 1 1 6 LYS HA H -1.113 -2.127 3.326 1.00 . A A . 6 LYS HA 1 1 17 4630 1 1 6 LYS HB2 H -2.048 -4.275 3.053 1.00 . A A . 6 LYS HB2 1 1 17 4631 1 1 6 LYS HB3 H -3.413 -3.197 3.318 1.00 . A A . 6 LYS HB3 1 1 17 4632 1 1 6 LYS HD2 H -2.317 -5.781 0.790 1.00 . A A . 6 LYS HD2 1 1 17 4633 1 1 6 LYS HD3 H -3.306 -5.890 2.248 1.00 . A A . 6 LYS HD3 1 1 17 4634 1 1 6 LYS HE2 H -5.165 -6.381 1.092 1.00 . A A . 6 LYS HE2 1 1 17 4635 1 1 6 LYS HE3 H -4.812 -5.194 -0.162 1.00 . A A . 6 LYS HE3 1 1 17 4636 1 1 6 LYS HG2 H -4.300 -3.624 1.332 1.00 . A A . 6 LYS HG2 1 1 17 4637 1 1 6 LYS HG3 H -2.743 -3.543 0.501 1.00 . A A . 6 LYS HG3 1 1 17 4638 1 1 6 LYS HZ1 H -4.740 -7.805 -0.581 1.00 . A A . 6 LYS HZ1 1 1 17 4639 1 1 6 LYS HZ2 H -3.130 -7.567 -0.119 1.00 . A A . 6 LYS HZ2 1 1 17 4640 1 1 6 LYS HZ3 H -3.767 -6.714 -1.434 1.00 . A A . 6 LYS HZ3 1 1 17 4641 1 1 6 LYS N N -2.501 -1.072 2.311 1.00 . A A . 6 LYS N 1 1 17 4642 1 1 6 LYS NZ N -3.981 -7.099 -0.491 1.00 . A A . 6 LYS NZ 1 1 17 4643 1 1 6 LYS O O 0.273 -2.951 1.308 1.00 . A A . 6 LYS O 1 1 17 4644 1 1 7 LYS C C 0.440 -0.648 -1.151 1.00 . A A . 7 LYS C 1 1 17 4645 1 1 7 LYS CA C -0.487 -1.835 -1.109 1.00 . A A . 7 LYS CA 1 1 17 4646 1 1 7 LYS CB C -1.392 -1.856 -2.342 1.00 . A A . 7 LYS CB 1 1 17 4647 1 1 7 LYS CD C -0.709 -1.122 -4.650 1.00 . A A . 7 LYS CD 1 1 17 4648 1 1 7 LYS CE C 0.585 -0.324 -4.658 1.00 . A A . 7 LYS CE 1 1 17 4649 1 1 7 LYS CG C -0.667 -2.242 -3.623 1.00 . A A . 7 LYS CG 1 1 17 4650 1 1 7 LYS H H -2.143 -1.341 0.107 1.00 . A A . 7 LYS H 1 1 17 4651 1 1 7 LYS HA H 0.116 -2.710 -1.094 1.00 . A A . 7 LYS HA 1 1 17 4652 1 1 7 LYS HB2 H -2.188 -2.567 -2.178 1.00 . A A . 7 LYS HB2 1 1 17 4653 1 1 7 LYS HB3 H -1.820 -0.874 -2.477 1.00 . A A . 7 LYS HB3 1 1 17 4654 1 1 7 LYS HD2 H -0.861 -1.549 -5.630 1.00 . A A . 7 LYS HD2 1 1 17 4655 1 1 7 LYS HD3 H -1.529 -0.459 -4.412 1.00 . A A . 7 LYS HD3 1 1 17 4656 1 1 7 LYS HE2 H 0.452 0.561 -4.053 1.00 . A A . 7 LYS HE2 1 1 17 4657 1 1 7 LYS HE3 H 1.371 -0.933 -4.235 1.00 . A A . 7 LYS HE3 1 1 17 4658 1 1 7 LYS HG2 H 0.364 -2.463 -3.388 1.00 . A A . 7 LYS HG2 1 1 17 4659 1 1 7 LYS HG3 H -1.138 -3.120 -4.041 1.00 . A A . 7 LYS HG3 1 1 17 4660 1 1 7 LYS HZ1 H 1.445 1.014 -6.011 1.00 . A A . 7 LYS HZ1 1 1 17 4661 1 1 7 LYS HZ2 H 0.135 0.150 -6.642 1.00 . A A . 7 LYS HZ2 1 1 17 4662 1 1 7 LYS HZ3 H 1.632 -0.611 -6.442 1.00 . A A . 7 LYS HZ3 1 1 17 4663 1 1 7 LYS N N -1.270 -1.812 0.109 1.00 . A A . 7 LYS N 1 1 17 4664 1 1 7 LYS NZ N 0.977 0.086 -6.035 1.00 . A A . 7 LYS NZ 1 1 17 4665 1 1 7 LYS O O 1.385 -0.610 -1.941 1.00 . A A . 7 LYS O 1 1 17 4666 1 1 8 ILE C C 2.073 1.365 0.847 1.00 . A A . 8 ILE C 1 1 17 4667 1 1 8 ILE CA C 1.020 1.495 -0.238 1.00 . A A . 8 ILE CA 1 1 17 4668 1 1 8 ILE CB C 0.184 2.779 -0.032 1.00 . A A . 8 ILE CB 1 1 17 4669 1 1 8 ILE CD1 C -1.694 4.106 -1.120 1.00 . A A . 8 ILE CD1 1 1 17 4670 1 1 8 ILE CG1 C -0.538 3.152 -1.326 1.00 . A A . 8 ILE CG1 1 1 17 4671 1 1 8 ILE CG2 C 1.061 3.932 0.441 1.00 . A A . 8 ILE CG2 1 1 17 4672 1 1 8 ILE H H -0.578 0.231 0.336 1.00 . A A . 8 ILE H 1 1 17 4673 1 1 8 ILE HA H 1.514 1.549 -1.182 1.00 . A A . 8 ILE HA 1 1 17 4674 1 1 8 ILE HB H -0.551 2.582 0.735 1.00 . A A . 8 ILE HB 1 1 17 4675 1 1 8 ILE HD11 H -2.298 3.765 -0.291 1.00 . A A . 8 ILE HD11 1 1 17 4676 1 1 8 ILE HD12 H -2.298 4.138 -2.015 1.00 . A A . 8 ILE HD12 1 1 17 4677 1 1 8 ILE HD13 H -1.314 5.093 -0.906 1.00 . A A . 8 ILE HD13 1 1 17 4678 1 1 8 ILE HG12 H 0.162 3.623 -1.999 1.00 . A A . 8 ILE HG12 1 1 17 4679 1 1 8 ILE HG13 H -0.925 2.254 -1.786 1.00 . A A . 8 ILE HG13 1 1 17 4680 1 1 8 ILE HG21 H 1.468 3.697 1.413 1.00 . A A . 8 ILE HG21 1 1 17 4681 1 1 8 ILE HG22 H 0.467 4.833 0.507 1.00 . A A . 8 ILE HG22 1 1 17 4682 1 1 8 ILE HG23 H 1.868 4.083 -0.261 1.00 . A A . 8 ILE HG23 1 1 17 4683 1 1 8 ILE N N 0.184 0.317 -0.286 1.00 . A A . 8 ILE N 1 1 17 4684 1 1 8 ILE O O 3.178 1.892 0.730 1.00 . A A . 8 ILE O 1 1 17 4685 1 1 9 GLY C C 3.709 -0.582 2.598 1.00 . A A . 9 GLY C 1 1 17 4686 1 1 9 GLY CA C 2.641 0.418 2.979 1.00 . A A . 9 GLY CA 1 1 17 4687 1 1 9 GLY H H 0.833 0.240 1.900 1.00 . A A . 9 GLY H 1 1 17 4688 1 1 9 GLY HA2 H 3.109 1.357 3.243 1.00 . A A . 9 GLY HA2 1 1 17 4689 1 1 9 GLY HA3 H 2.095 0.043 3.831 1.00 . A A . 9 GLY HA3 1 1 17 4690 1 1 9 GLY N N 1.721 0.641 1.886 1.00 . A A . 9 GLY N 1 1 17 4691 1 1 9 GLY O O 4.849 -0.511 3.061 1.00 . A A . 9 GLY O 1 1 17 4692 1 1 10 ALA C C 5.264 -1.920 0.299 1.00 . A A . 10 ALA C 1 1 17 4693 1 1 10 ALA CA C 4.315 -2.509 1.311 1.00 . A A . 10 ALA CA 1 1 17 4694 1 1 10 ALA CB C 3.640 -3.754 0.766 1.00 . A A . 10 ALA CB 1 1 17 4695 1 1 10 ALA H H 2.444 -1.535 1.378 1.00 . A A . 10 ALA H 1 1 17 4696 1 1 10 ALA HA H 4.889 -2.774 2.187 1.00 . A A . 10 ALA HA 1 1 17 4697 1 1 10 ALA HB1 H 3.469 -4.454 1.571 1.00 . A A . 10 ALA HB1 1 1 17 4698 1 1 10 ALA HB2 H 4.279 -4.209 0.022 1.00 . A A . 10 ALA HB2 1 1 17 4699 1 1 10 ALA HB3 H 2.696 -3.485 0.315 1.00 . A A . 10 ALA HB3 1 1 17 4700 1 1 10 ALA N N 3.354 -1.518 1.736 1.00 . A A . 10 ALA N 1 1 17 4701 1 1 10 ALA O O 6.449 -2.245 0.300 1.00 . A A . 10 ALA O 1 1 17 4702 1 1 11 VAL C C 6.795 0.258 -0.703 1.00 . A A . 11 VAL C 1 1 17 4703 1 1 11 VAL CA C 5.659 -0.370 -1.490 1.00 . A A . 11 VAL CA 1 1 17 4704 1 1 11 VAL CB C 4.945 0.701 -2.327 1.00 . A A . 11 VAL CB 1 1 17 4705 1 1 11 VAL CG1 C 5.922 1.361 -3.286 1.00 . A A . 11 VAL CG1 1 1 17 4706 1 1 11 VAL CG2 C 3.772 0.090 -3.075 1.00 . A A . 11 VAL CG2 1 1 17 4707 1 1 11 VAL H H 3.828 -0.751 -0.488 1.00 . A A . 11 VAL H 1 1 17 4708 1 1 11 VAL HA H 6.059 -1.132 -2.144 1.00 . A A . 11 VAL HA 1 1 17 4709 1 1 11 VAL HB H 4.564 1.459 -1.658 1.00 . A A . 11 VAL HB 1 1 17 4710 1 1 11 VAL HG11 H 6.933 1.179 -2.947 1.00 . A A . 11 VAL HG11 1 1 17 4711 1 1 11 VAL HG12 H 5.737 2.424 -3.315 1.00 . A A . 11 VAL HG12 1 1 17 4712 1 1 11 VAL HG13 H 5.794 0.944 -4.274 1.00 . A A . 11 VAL HG13 1 1 17 4713 1 1 11 VAL HG21 H 2.928 0.762 -3.031 1.00 . A A . 11 VAL HG21 1 1 17 4714 1 1 11 VAL HG22 H 3.508 -0.851 -2.617 1.00 . A A . 11 VAL HG22 1 1 17 4715 1 1 11 VAL HG23 H 4.050 -0.075 -4.105 1.00 . A A . 11 VAL HG23 1 1 17 4716 1 1 11 VAL N N 4.773 -1.014 -0.539 1.00 . A A . 11 VAL N 1 1 17 4717 1 1 11 VAL O O 7.940 0.305 -1.149 1.00 . A A . 11 VAL O 1 1 17 4718 1 1 12 LEU C C 8.568 0.244 1.585 1.00 . A A . 12 LEU C 1 1 17 4719 1 1 12 LEU CA C 7.422 1.227 1.446 1.00 . A A . 12 LEU CA 1 1 17 4720 1 1 12 LEU CB C 6.754 1.398 2.804 1.00 . A A . 12 LEU CB 1 1 17 4721 1 1 12 LEU CD1 C 5.088 2.568 4.268 1.00 . A A . 12 LEU CD1 1 1 17 4722 1 1 12 LEU CD2 C 6.317 3.849 2.507 1.00 . A A . 12 LEU CD2 1 1 17 4723 1 1 12 LEU CG C 5.703 2.508 2.879 1.00 . A A . 12 LEU CG 1 1 17 4724 1 1 12 LEU H H 5.532 0.554 0.817 1.00 . A A . 12 LEU H 1 1 17 4725 1 1 12 LEU HA H 7.777 2.176 1.077 1.00 . A A . 12 LEU HA 1 1 17 4726 1 1 12 LEU HB2 H 6.275 0.451 3.055 1.00 . A A . 12 LEU HB2 1 1 17 4727 1 1 12 LEU HB3 H 7.518 1.602 3.538 1.00 . A A . 12 LEU HB3 1 1 17 4728 1 1 12 LEU HD11 H 4.067 2.916 4.195 1.00 . A A . 12 LEU HD11 1 1 17 4729 1 1 12 LEU HD12 H 5.656 3.249 4.884 1.00 . A A . 12 LEU HD12 1 1 17 4730 1 1 12 LEU HD13 H 5.102 1.584 4.711 1.00 . A A . 12 LEU HD13 1 1 17 4731 1 1 12 LEU HD21 H 6.382 3.929 1.431 1.00 . A A . 12 LEU HD21 1 1 17 4732 1 1 12 LEU HD22 H 7.306 3.922 2.933 1.00 . A A . 12 LEU HD22 1 1 17 4733 1 1 12 LEU HD23 H 5.699 4.647 2.890 1.00 . A A . 12 LEU HD23 1 1 17 4734 1 1 12 LEU HG H 4.913 2.293 2.173 1.00 . A A . 12 LEU HG 1 1 17 4735 1 1 12 LEU N N 6.457 0.673 0.516 1.00 . A A . 12 LEU N 1 1 17 4736 1 1 12 LEU O O 9.734 0.615 1.721 1.00 . A A . 12 LEU O 1 1 17 4737 1 1 13 LYS C C 9.880 -2.296 0.329 1.00 . A A . 13 LYS C 1 1 17 4738 1 1 13 LYS CA C 9.124 -2.130 1.635 1.00 . A A . 13 LYS CA 1 1 17 4739 1 1 13 LYS CB C 8.363 -3.416 1.946 1.00 . A A . 13 LYS CB 1 1 17 4740 1 1 13 LYS CD C 8.524 -5.894 2.325 1.00 . A A . 13 LYS CD 1 1 17 4741 1 1 13 LYS CE C 9.252 -6.968 3.118 1.00 . A A . 13 LYS CE 1 1 17 4742 1 1 13 LYS CG C 9.255 -4.563 2.391 1.00 . A A . 13 LYS CG 1 1 17 4743 1 1 13 LYS H H 7.236 -1.227 1.408 1.00 . A A . 13 LYS H 1 1 17 4744 1 1 13 LYS HA H 9.812 -1.916 2.432 1.00 . A A . 13 LYS HA 1 1 17 4745 1 1 13 LYS HB2 H 7.648 -3.216 2.731 1.00 . A A . 13 LYS HB2 1 1 17 4746 1 1 13 LYS HB3 H 7.830 -3.724 1.054 1.00 . A A . 13 LYS HB3 1 1 17 4747 1 1 13 LYS HD2 H 7.533 -5.770 2.734 1.00 . A A . 13 LYS HD2 1 1 17 4748 1 1 13 LYS HD3 H 8.455 -6.205 1.294 1.00 . A A . 13 LYS HD3 1 1 17 4749 1 1 13 LYS HE2 H 10.277 -7.012 2.783 1.00 . A A . 13 LYS HE2 1 1 17 4750 1 1 13 LYS HE3 H 9.228 -6.704 4.165 1.00 . A A . 13 LYS HE3 1 1 17 4751 1 1 13 LYS HG2 H 10.119 -4.606 1.744 1.00 . A A . 13 LYS HG2 1 1 17 4752 1 1 13 LYS HG3 H 9.573 -4.386 3.408 1.00 . A A . 13 LYS HG3 1 1 17 4753 1 1 13 LYS HZ1 H 7.736 -8.361 3.475 1.00 . A A . 13 LYS HZ1 1 1 17 4754 1 1 13 LYS HZ2 H 9.269 -9.050 3.286 1.00 . A A . 13 LYS HZ2 1 1 17 4755 1 1 13 LYS HZ3 H 8.427 -8.479 1.934 1.00 . A A . 13 LYS HZ3 1 1 17 4756 1 1 13 LYS N N 8.191 -1.026 1.532 1.00 . A A . 13 LYS N 1 1 17 4757 1 1 13 LYS NZ N 8.627 -8.308 2.941 1.00 . A A . 13 LYS NZ 1 1 17 4758 1 1 13 LYS O O 11.082 -2.561 0.310 1.00 . A A . 13 LYS O 1 1 17 4759 1 1 14 VAL C C 10.505 -1.018 -2.461 1.00 . A A . 14 VAL C 1 1 17 4760 1 1 14 VAL CA C 9.690 -2.256 -2.092 1.00 . A A . 14 VAL CA 1 1 17 4761 1 1 14 VAL CB C 8.541 -2.478 -3.101 1.00 . A A . 14 VAL CB 1 1 17 4762 1 1 14 VAL CG1 C 8.765 -1.721 -4.405 1.00 . A A . 14 VAL CG1 1 1 17 4763 1 1 14 VAL CG2 C 8.352 -3.963 -3.369 1.00 . A A . 14 VAL CG2 1 1 17 4764 1 1 14 VAL H H 8.200 -1.924 -0.663 1.00 . A A . 14 VAL H 1 1 17 4765 1 1 14 VAL HA H 10.326 -3.115 -2.104 1.00 . A A . 14 VAL HA 1 1 17 4766 1 1 14 VAL HB H 7.633 -2.104 -2.643 1.00 . A A . 14 VAL HB 1 1 17 4767 1 1 14 VAL HG11 H 8.763 -0.659 -4.210 1.00 . A A . 14 VAL HG11 1 1 17 4768 1 1 14 VAL HG12 H 7.975 -1.961 -5.101 1.00 . A A . 14 VAL HG12 1 1 17 4769 1 1 14 VAL HG13 H 9.717 -2.008 -4.829 1.00 . A A . 14 VAL HG13 1 1 17 4770 1 1 14 VAL HG21 H 8.671 -4.528 -2.506 1.00 . A A . 14 VAL HG21 1 1 17 4771 1 1 14 VAL HG22 H 8.941 -4.252 -4.226 1.00 . A A . 14 VAL HG22 1 1 17 4772 1 1 14 VAL HG23 H 7.308 -4.163 -3.566 1.00 . A A . 14 VAL HG23 1 1 17 4773 1 1 14 VAL N N 9.146 -2.134 -0.760 1.00 . A A . 14 VAL N 1 1 17 4774 1 1 14 VAL O O 11.189 -0.984 -3.485 1.00 . A A . 14 VAL O 1 1 17 4775 1 1 15 LEU C C 12.562 1.155 -1.328 1.00 . A A . 15 LEU C 1 1 17 4776 1 1 15 LEU CA C 11.119 1.247 -1.818 1.00 . A A . 15 LEU CA 1 1 17 4777 1 1 15 LEU CB C 10.377 2.359 -1.081 1.00 . A A . 15 LEU CB 1 1 17 4778 1 1 15 LEU CD1 C 11.310 4.179 -2.532 1.00 . A A . 15 LEU CD1 1 1 17 4779 1 1 15 LEU CD2 C 9.045 3.233 -3.017 1.00 . A A . 15 LEU CD2 1 1 17 4780 1 1 15 LEU CG C 10.045 3.590 -1.927 1.00 . A A . 15 LEU CG 1 1 17 4781 1 1 15 LEU H H 9.851 -0.105 -0.820 1.00 . A A . 15 LEU H 1 1 17 4782 1 1 15 LEU HA H 11.119 1.464 -2.875 1.00 . A A . 15 LEU HA 1 1 17 4783 1 1 15 LEU HB2 H 9.449 1.944 -0.703 1.00 . A A . 15 LEU HB2 1 1 17 4784 1 1 15 LEU HB3 H 10.978 2.675 -0.242 1.00 . A A . 15 LEU HB3 1 1 17 4785 1 1 15 LEU HD11 H 12.005 3.384 -2.756 1.00 . A A . 15 LEU HD11 1 1 17 4786 1 1 15 LEU HD12 H 11.760 4.864 -1.829 1.00 . A A . 15 LEU HD12 1 1 17 4787 1 1 15 LEU HD13 H 11.061 4.707 -3.441 1.00 . A A . 15 LEU HD13 1 1 17 4788 1 1 15 LEU HD21 H 8.651 4.138 -3.453 1.00 . A A . 15 LEU HD21 1 1 17 4789 1 1 15 LEU HD22 H 8.238 2.657 -2.590 1.00 . A A . 15 LEU HD22 1 1 17 4790 1 1 15 LEU HD23 H 9.539 2.650 -3.780 1.00 . A A . 15 LEU HD23 1 1 17 4791 1 1 15 LEU HG H 9.596 4.343 -1.294 1.00 . A A . 15 LEU HG 1 1 17 4792 1 1 15 LEU N N 10.416 -0.007 -1.612 1.00 . A A . 15 LEU N 1 1 17 4793 1 1 15 LEU O O 12.788 1.351 -0.115 1.00 . A A . 15 LEU O 1 1 17 4794 1 1 15 LEU OXT O 13.453 0.886 -2.162 1.00 . A A . 15 LEU OXT 1 1 18 4795 1 1 1 LYS C C -6.539 2.432 4.104 1.00 . A A . 1 LYS C 1 1 18 4796 1 1 1 LYS CA C -6.004 3.854 4.095 1.00 . A A . 1 LYS CA 1 1 18 4797 1 1 1 LYS CB C -6.833 4.739 5.040 1.00 . A A . 1 LYS CB 1 1 18 4798 1 1 1 LYS CD C -9.141 4.890 4.038 1.00 . A A . 1 LYS CD 1 1 18 4799 1 1 1 LYS CE C -10.298 5.852 3.813 1.00 . A A . 1 LYS CE 1 1 18 4800 1 1 1 LYS CG C -7.852 5.636 4.345 1.00 . A A . 1 LYS CG 1 1 18 4801 1 1 1 LYS H1 H -5.452 3.811 2.108 1.00 . A A . 1 LYS H1 1 1 18 4802 1 1 1 LYS H2 H -5.582 5.383 2.780 1.00 . A A . 1 LYS H2 1 1 18 4803 1 1 1 LYS H3 H -6.996 4.492 2.399 1.00 . A A . 1 LYS H3 1 1 18 4804 1 1 1 LYS HA H -4.995 3.826 4.438 1.00 . A A . 1 LYS HA 1 1 18 4805 1 1 1 LYS HB2 H -7.366 4.103 5.730 1.00 . A A . 1 LYS HB2 1 1 18 4806 1 1 1 LYS HB3 H -6.158 5.370 5.600 1.00 . A A . 1 LYS HB3 1 1 18 4807 1 1 1 LYS HD2 H -9.000 4.299 3.147 1.00 . A A . 1 LYS HD2 1 1 18 4808 1 1 1 LYS HD3 H -9.379 4.243 4.870 1.00 . A A . 1 LYS HD3 1 1 18 4809 1 1 1 LYS HE2 H -10.414 6.467 4.693 1.00 . A A . 1 LYS HE2 1 1 18 4810 1 1 1 LYS HE3 H -10.069 6.479 2.965 1.00 . A A . 1 LYS HE3 1 1 18 4811 1 1 1 LYS HG2 H -8.079 6.470 4.991 1.00 . A A . 1 LYS HG2 1 1 18 4812 1 1 1 LYS HG3 H -7.429 6.001 3.421 1.00 . A A . 1 LYS HG3 1 1 18 4813 1 1 1 LYS HZ1 H -11.622 4.266 4.127 1.00 . A A . 1 LYS HZ1 1 1 18 4814 1 1 1 LYS HZ2 H -11.647 4.879 2.550 1.00 . A A . 1 LYS HZ2 1 1 18 4815 1 1 1 LYS HZ3 H -12.384 5.742 3.803 1.00 . A A . 1 LYS HZ3 1 1 18 4816 1 1 1 LYS N N -6.010 4.437 2.722 1.00 . A A . 1 LYS N 1 1 18 4817 1 1 1 LYS NZ N -11.577 5.135 3.555 1.00 . A A . 1 LYS NZ 1 1 18 4818 1 1 1 LYS O O -6.232 1.643 4.995 1.00 . A A . 1 LYS O 1 1 18 4819 1 1 2 TRP C C -7.210 -0.362 2.505 1.00 . A A . 2 TRP C 1 1 18 4820 1 1 2 TRP CA C -8.029 0.838 3.048 1.00 . A A . 2 TRP CA 1 1 18 4821 1 1 2 TRP CB C -9.370 0.960 2.340 1.00 . A A . 2 TRP CB 1 1 18 4822 1 1 2 TRP CD1 C -10.466 3.021 1.423 1.00 . A A . 2 TRP CD1 1 1 18 4823 1 1 2 TRP CD2 C -8.390 2.710 0.805 1.00 . A A . 2 TRP CD2 1 1 18 4824 1 1 2 TRP CE2 C -8.826 3.876 0.186 1.00 . A A . 2 TRP CE2 1 1 18 4825 1 1 2 TRP CE3 C -7.116 2.263 0.626 1.00 . A A . 2 TRP CE3 1 1 18 4826 1 1 2 TRP CG C -9.447 2.183 1.539 1.00 . A A . 2 TRP CG 1 1 18 4827 1 1 2 TRP CH2 C -6.706 4.158 -0.799 1.00 . A A . 2 TRP CH2 1 1 18 4828 1 1 2 TRP CZ2 C -7.989 4.622 -0.636 1.00 . A A . 2 TRP CZ2 1 1 18 4829 1 1 2 TRP CZ3 C -6.277 2.979 -0.160 1.00 . A A . 2 TRP CZ3 1 1 18 4830 1 1 2 TRP H H -7.617 2.832 2.507 1.00 . A A . 2 TRP H 1 1 18 4831 1 1 2 TRP HA H -8.227 0.626 4.022 1.00 . A A . 2 TRP HA 1 1 18 4832 1 1 2 TRP HB2 H -9.512 0.125 1.685 1.00 . A A . 2 TRP HB2 1 1 18 4833 1 1 2 TRP HB3 H -10.159 0.988 3.071 1.00 . A A . 2 TRP HB3 1 1 18 4834 1 1 2 TRP HD1 H -11.389 2.870 1.918 1.00 . A A . 2 TRP HD1 1 1 18 4835 1 1 2 TRP HE1 H -10.711 4.786 0.310 1.00 . A A . 2 TRP HE1 1 1 18 4836 1 1 2 TRP HE3 H -6.775 1.362 1.142 1.00 . A A . 2 TRP HE3 1 1 18 4837 1 1 2 TRP HH2 H -6.005 4.698 -1.418 1.00 . A A . 2 TRP HH2 1 1 18 4838 1 1 2 TRP HZ2 H -8.316 5.527 -1.126 1.00 . A A . 2 TRP HZ2 1 1 18 4839 1 1 2 TRP HZ3 H -5.281 2.634 -0.284 1.00 . A A . 2 TRP HZ3 1 1 18 4840 1 1 2 TRP N N -7.376 2.136 3.137 1.00 . A A . 2 TRP N 1 1 18 4841 1 1 2 TRP NE1 N -10.130 4.055 0.575 1.00 . A A . 2 TRP NE1 1 1 18 4842 1 1 2 TRP O O -6.370 -0.903 3.223 1.00 . A A . 2 TRP O 1 1 18 4843 1 1 3 LYS C C -5.627 -1.674 -0.083 1.00 . A A . 3 LYS C 1 1 18 4844 1 1 3 LYS CA C -6.848 -2.016 0.717 1.00 . A A . 3 LYS CA 1 1 18 4845 1 1 3 LYS CB C -7.827 -2.826 -0.133 1.00 . A A . 3 LYS CB 1 1 18 4846 1 1 3 LYS CD C -8.284 -5.298 -0.236 1.00 . A A . 3 LYS CD 1 1 18 4847 1 1 3 LYS CE C -8.502 -5.446 1.261 1.00 . A A . 3 LYS CE 1 1 18 4848 1 1 3 LYS CG C -7.293 -4.188 -0.549 1.00 . A A . 3 LYS CG 1 1 18 4849 1 1 3 LYS H H -8.198 -0.398 0.748 1.00 . A A . 3 LYS H 1 1 18 4850 1 1 3 LYS HA H -6.535 -2.601 1.537 1.00 . A A . 3 LYS HA 1 1 18 4851 1 1 3 LYS HB2 H -8.737 -2.975 0.431 1.00 . A A . 3 LYS HB2 1 1 18 4852 1 1 3 LYS HB3 H -8.057 -2.266 -1.027 1.00 . A A . 3 LYS HB3 1 1 18 4853 1 1 3 LYS HD2 H -9.229 -5.066 -0.706 1.00 . A A . 3 LYS HD2 1 1 18 4854 1 1 3 LYS HD3 H -7.903 -6.229 -0.630 1.00 . A A . 3 LYS HD3 1 1 18 4855 1 1 3 LYS HE2 H -8.566 -6.497 1.500 1.00 . A A . 3 LYS HE2 1 1 18 4856 1 1 3 LYS HE3 H -7.660 -5.011 1.780 1.00 . A A . 3 LYS HE3 1 1 18 4857 1 1 3 LYS HG2 H -7.103 -4.180 -1.612 1.00 . A A . 3 LYS HG2 1 1 18 4858 1 1 3 LYS HG3 H -6.372 -4.380 -0.018 1.00 . A A . 3 LYS HG3 1 1 18 4859 1 1 3 LYS HZ1 H -10.431 -4.715 0.926 1.00 . A A . 3 LYS HZ1 1 1 18 4860 1 1 3 LYS HZ2 H -9.539 -3.808 2.040 1.00 . A A . 3 LYS HZ2 1 1 18 4861 1 1 3 LYS HZ3 H -10.184 -5.303 2.493 1.00 . A A . 3 LYS HZ3 1 1 18 4862 1 1 3 LYS N N -7.508 -0.828 1.273 1.00 . A A . 3 LYS N 1 1 18 4863 1 1 3 LYS NZ N -9.751 -4.771 1.712 1.00 . A A . 3 LYS NZ 1 1 18 4864 1 1 3 LYS O O -4.812 -2.526 -0.426 1.00 . A A . 3 LYS O 1 1 18 4865 1 1 4 LEU C C -3.350 0.598 -0.014 1.00 . A A . 4 LEU C 1 1 18 4866 1 1 4 LEU CA C -4.341 0.078 -1.031 1.00 . A A . 4 LEU CA 1 1 18 4867 1 1 4 LEU CB C -4.714 1.167 -1.990 1.00 . A A . 4 LEU CB 1 1 18 4868 1 1 4 LEU CD1 C -5.965 0.006 -3.825 1.00 . A A . 4 LEU CD1 1 1 18 4869 1 1 4 LEU CD2 C -4.569 2.015 -4.345 1.00 . A A . 4 LEU CD2 1 1 18 4870 1 1 4 LEU CG C -4.703 0.778 -3.469 1.00 . A A . 4 LEU CG 1 1 18 4871 1 1 4 LEU H H -6.154 0.186 0.018 1.00 . A A . 4 LEU H 1 1 18 4872 1 1 4 LEU HA H -3.900 -0.743 -1.576 1.00 . A A . 4 LEU HA 1 1 18 4873 1 1 4 LEU HB2 H -5.698 1.503 -1.731 1.00 . A A . 4 LEU HB2 1 1 18 4874 1 1 4 LEU HB3 H -4.012 1.966 -1.839 1.00 . A A . 4 LEU HB3 1 1 18 4875 1 1 4 LEU HD11 H -6.755 0.272 -3.137 1.00 . A A . 4 LEU HD11 1 1 18 4876 1 1 4 LEU HD12 H -5.769 -1.053 -3.756 1.00 . A A . 4 LEU HD12 1 1 18 4877 1 1 4 LEU HD13 H -6.267 0.253 -4.832 1.00 . A A . 4 LEU HD13 1 1 18 4878 1 1 4 LEU HD21 H -5.130 1.874 -5.256 1.00 . A A . 4 LEU HD21 1 1 18 4879 1 1 4 LEU HD22 H -3.528 2.175 -4.584 1.00 . A A . 4 LEU HD22 1 1 18 4880 1 1 4 LEU HD23 H -4.952 2.875 -3.816 1.00 . A A . 4 LEU HD23 1 1 18 4881 1 1 4 LEU HG H -3.856 0.138 -3.660 1.00 . A A . 4 LEU HG 1 1 18 4882 1 1 4 LEU N N -5.488 -0.422 -0.327 1.00 . A A . 4 LEU N 1 1 18 4883 1 1 4 LEU O O -2.146 0.572 -0.241 1.00 . A A . 4 LEU O 1 1 18 4884 1 1 5 PHE C C -2.112 0.299 2.592 1.00 . A A . 5 PHE C 1 1 18 4885 1 1 5 PHE CA C -3.001 1.452 2.227 1.00 . A A . 5 PHE CA 1 1 18 4886 1 1 5 PHE CB C -3.833 1.866 3.424 1.00 . A A . 5 PHE CB 1 1 18 4887 1 1 5 PHE CD1 C -2.839 0.960 5.541 1.00 . A A . 5 PHE CD1 1 1 18 4888 1 1 5 PHE CD2 C -2.456 3.246 4.990 1.00 . A A . 5 PHE CD2 1 1 18 4889 1 1 5 PHE CE1 C -2.082 1.106 6.689 1.00 . A A . 5 PHE CE1 1 1 18 4890 1 1 5 PHE CE2 C -1.701 3.401 6.136 1.00 . A A . 5 PHE CE2 1 1 18 4891 1 1 5 PHE CG C -3.032 2.028 4.682 1.00 . A A . 5 PHE CG 1 1 18 4892 1 1 5 PHE CZ C -1.513 2.330 6.987 1.00 . A A . 5 PHE CZ 1 1 18 4893 1 1 5 PHE H H -4.837 0.939 1.316 1.00 . A A . 5 PHE H 1 1 18 4894 1 1 5 PHE HA H -2.407 2.281 1.881 1.00 . A A . 5 PHE HA 1 1 18 4895 1 1 5 PHE HB2 H -4.293 2.805 3.198 1.00 . A A . 5 PHE HB2 1 1 18 4896 1 1 5 PHE HB3 H -4.601 1.120 3.598 1.00 . A A . 5 PHE HB3 1 1 18 4897 1 1 5 PHE HD1 H -3.284 0.004 5.309 1.00 . A A . 5 PHE HD1 1 1 18 4898 1 1 5 PHE HD2 H -2.600 4.080 4.319 1.00 . A A . 5 PHE HD2 1 1 18 4899 1 1 5 PHE HE1 H -1.938 0.266 7.353 1.00 . A A . 5 PHE HE1 1 1 18 4900 1 1 5 PHE HE2 H -1.258 4.359 6.366 1.00 . A A . 5 PHE HE2 1 1 18 4901 1 1 5 PHE HZ H -0.922 2.448 7.883 1.00 . A A . 5 PHE HZ 1 1 18 4902 1 1 5 PHE N N -3.864 1.002 1.153 1.00 . A A . 5 PHE N 1 1 18 4903 1 1 5 PHE O O -0.991 0.455 3.075 1.00 . A A . 5 PHE O 1 1 18 4904 1 1 6 LYS C C -1.051 -2.375 1.356 1.00 . A A . 6 LYS C 1 1 18 4905 1 1 6 LYS CA C -1.968 -2.098 2.533 1.00 . A A . 6 LYS CA 1 1 18 4906 1 1 6 LYS CB C -2.981 -3.223 2.752 1.00 . A A . 6 LYS CB 1 1 18 4907 1 1 6 LYS CD C -3.680 -5.251 1.445 1.00 . A A . 6 LYS CD 1 1 18 4908 1 1 6 LYS CE C -4.946 -5.790 2.092 1.00 . A A . 6 LYS CE 1 1 18 4909 1 1 6 LYS CG C -3.638 -3.731 1.482 1.00 . A A . 6 LYS CG 1 1 18 4910 1 1 6 LYS H H -3.526 -0.886 1.894 1.00 . A A . 6 LYS H 1 1 18 4911 1 1 6 LYS HA H -1.381 -1.976 3.419 1.00 . A A . 6 LYS HA 1 1 18 4912 1 1 6 LYS HB2 H -2.488 -4.050 3.235 1.00 . A A . 6 LYS HB2 1 1 18 4913 1 1 6 LYS HB3 H -3.761 -2.848 3.402 1.00 . A A . 6 LYS HB3 1 1 18 4914 1 1 6 LYS HD2 H -3.647 -5.577 0.416 1.00 . A A . 6 LYS HD2 1 1 18 4915 1 1 6 LYS HD3 H -2.822 -5.637 1.975 1.00 . A A . 6 LYS HD3 1 1 18 4916 1 1 6 LYS HE2 H -5.767 -5.676 1.399 1.00 . A A . 6 LYS HE2 1 1 18 4917 1 1 6 LYS HE3 H -4.804 -6.839 2.309 1.00 . A A . 6 LYS HE3 1 1 18 4918 1 1 6 LYS HG2 H -4.650 -3.348 1.441 1.00 . A A . 6 LYS HG2 1 1 18 4919 1 1 6 LYS HG3 H -3.081 -3.372 0.627 1.00 . A A . 6 LYS HG3 1 1 18 4920 1 1 6 LYS HZ1 H -4.426 -4.981 3.947 1.00 . A A . 6 LYS HZ1 1 1 18 4921 1 1 6 LYS HZ2 H -5.999 -5.601 3.887 1.00 . A A . 6 LYS HZ2 1 1 18 4922 1 1 6 LYS HZ3 H -5.644 -4.124 3.142 1.00 . A A . 6 LYS HZ3 1 1 18 4923 1 1 6 LYS N N -2.647 -0.867 2.303 1.00 . A A . 6 LYS N 1 1 18 4924 1 1 6 LYS NZ N -5.277 -5.074 3.355 1.00 . A A . 6 LYS NZ 1 1 18 4925 1 1 6 LYS O O 0.001 -2.995 1.508 1.00 . A A . 6 LYS O 1 1 18 4926 1 1 7 LYS C C 0.416 -0.932 -1.064 1.00 . A A . 7 LYS C 1 1 18 4927 1 1 7 LYS CA C -0.608 -2.038 -0.999 1.00 . A A . 7 LYS CA 1 1 18 4928 1 1 7 LYS CB C -1.465 -2.102 -2.278 1.00 . A A . 7 LYS CB 1 1 18 4929 1 1 7 LYS CD C -1.715 -1.194 -4.612 1.00 . A A . 7 LYS CD 1 1 18 4930 1 1 7 LYS CE C -0.915 -0.322 -5.568 1.00 . A A . 7 LYS CE 1 1 18 4931 1 1 7 LYS CG C -1.395 -0.862 -3.164 1.00 . A A . 7 LYS CG 1 1 18 4932 1 1 7 LYS H H -2.280 -1.346 0.104 1.00 . A A . 7 LYS H 1 1 18 4933 1 1 7 LYS HA H -0.075 -2.949 -0.886 1.00 . A A . 7 LYS HA 1 1 18 4934 1 1 7 LYS HB2 H -1.141 -2.948 -2.866 1.00 . A A . 7 LYS HB2 1 1 18 4935 1 1 7 LYS HB3 H -2.496 -2.254 -1.993 1.00 . A A . 7 LYS HB3 1 1 18 4936 1 1 7 LYS HD2 H -1.472 -2.229 -4.796 1.00 . A A . 7 LYS HD2 1 1 18 4937 1 1 7 LYS HD3 H -2.769 -1.032 -4.785 1.00 . A A . 7 LYS HD3 1 1 18 4938 1 1 7 LYS HE2 H -0.062 0.080 -5.039 1.00 . A A . 7 LYS HE2 1 1 18 4939 1 1 7 LYS HE3 H -0.573 -0.932 -6.391 1.00 . A A . 7 LYS HE3 1 1 18 4940 1 1 7 LYS HG2 H -2.105 -0.133 -2.805 1.00 . A A . 7 LYS HG2 1 1 18 4941 1 1 7 LYS HG3 H -0.399 -0.450 -3.115 1.00 . A A . 7 LYS HG3 1 1 18 4942 1 1 7 LYS HZ1 H -1.816 1.553 -5.387 1.00 . A A . 7 LYS HZ1 1 1 18 4943 1 1 7 LYS HZ2 H -2.678 0.473 -6.363 1.00 . A A . 7 LYS HZ2 1 1 18 4944 1 1 7 LYS HZ3 H -1.270 1.204 -6.951 1.00 . A A . 7 LYS HZ3 1 1 18 4945 1 1 7 LYS N N -1.436 -1.869 0.176 1.00 . A A . 7 LYS N 1 1 18 4946 1 1 7 LYS NZ N -1.727 0.806 -6.105 1.00 . A A . 7 LYS NZ 1 1 18 4947 1 1 7 LYS O O 1.388 -1.013 -1.816 1.00 . A A . 7 LYS O 1 1 18 4948 1 1 8 ILE C C 2.168 1.024 0.855 1.00 . A A . 8 ILE C 1 1 18 4949 1 1 8 ILE CA C 1.138 1.202 -0.243 1.00 . A A . 8 ILE CA 1 1 18 4950 1 1 8 ILE CB C 0.410 2.557 -0.086 1.00 . A A . 8 ILE CB 1 1 18 4951 1 1 8 ILE CD1 C -1.578 3.708 -1.179 1.00 . A A . 8 ILE CD1 1 1 18 4952 1 1 8 ILE CG1 C -0.296 2.932 -1.389 1.00 . A A . 8 ILE CG1 1 1 18 4953 1 1 8 ILE CG2 C 1.380 3.656 0.331 1.00 . A A . 8 ILE CG2 1 1 18 4954 1 1 8 ILE H H -0.578 0.109 0.332 1.00 . A A . 8 ILE H 1 1 18 4955 1 1 8 ILE HA H 1.641 1.184 -1.185 1.00 . A A . 8 ILE HA 1 1 18 4956 1 1 8 ILE HB H -0.329 2.451 0.695 1.00 . A A . 8 ILE HB 1 1 18 4957 1 1 8 ILE HD11 H -2.377 3.242 -1.737 1.00 . A A . 8 ILE HD11 1 1 18 4958 1 1 8 ILE HD12 H -1.444 4.724 -1.523 1.00 . A A . 8 ILE HD12 1 1 18 4959 1 1 8 ILE HD13 H -1.828 3.714 -0.128 1.00 . A A . 8 ILE HD13 1 1 18 4960 1 1 8 ILE HG12 H 0.365 3.541 -1.988 1.00 . A A . 8 ILE HG12 1 1 18 4961 1 1 8 ILE HG13 H -0.538 2.030 -1.931 1.00 . A A . 8 ILE HG13 1 1 18 4962 1 1 8 ILE HG21 H 1.792 3.420 1.301 1.00 . A A . 8 ILE HG21 1 1 18 4963 1 1 8 ILE HG22 H 0.855 4.599 0.382 1.00 . A A . 8 ILE HG22 1 1 18 4964 1 1 8 ILE HG23 H 2.178 3.727 -0.393 1.00 . A A . 8 ILE HG23 1 1 18 4965 1 1 8 ILE N N 0.210 0.098 -0.261 1.00 . A A . 8 ILE N 1 1 18 4966 1 1 8 ILE O O 3.319 1.441 0.725 1.00 . A A . 8 ILE O 1 1 18 4967 1 1 9 GLY C C 3.763 -0.794 2.631 1.00 . A A . 9 GLY C 1 1 18 4968 1 1 9 GLY CA C 2.636 0.130 3.032 1.00 . A A . 9 GLY CA 1 1 18 4969 1 1 9 GLY H H 0.823 0.070 1.947 1.00 . A A . 9 GLY H 1 1 18 4970 1 1 9 GLY HA2 H 3.050 1.067 3.374 1.00 . A A . 9 GLY HA2 1 1 18 4971 1 1 9 GLY HA3 H 2.077 -0.324 3.837 1.00 . A A . 9 GLY HA3 1 1 18 4972 1 1 9 GLY N N 1.745 0.384 1.922 1.00 . A A . 9 GLY N 1 1 18 4973 1 1 9 GLY O O 4.909 -0.633 3.055 1.00 . A A . 9 GLY O 1 1 18 4974 1 1 10 ALA C C 5.367 -2.021 0.331 1.00 . A A . 10 ALA C 1 1 18 4975 1 1 10 ALA CA C 4.478 -2.683 1.351 1.00 . A A . 10 ALA CA 1 1 18 4976 1 1 10 ALA CB C 3.890 -3.974 0.811 1.00 . A A . 10 ALA CB 1 1 18 4977 1 1 10 ALA H H 2.539 -1.857 1.456 1.00 . A A . 10 ALA H 1 1 18 4978 1 1 10 ALA HA H 5.082 -2.907 2.219 1.00 . A A . 10 ALA HA 1 1 18 4979 1 1 10 ALA HB1 H 3.789 -4.688 1.614 1.00 . A A . 10 ALA HB1 1 1 18 4980 1 1 10 ALA HB2 H 4.547 -4.374 0.053 1.00 . A A . 10 ALA HB2 1 1 18 4981 1 1 10 ALA HB3 H 2.919 -3.777 0.380 1.00 . A A . 10 ALA HB3 1 1 18 4982 1 1 10 ALA N N 3.454 -1.767 1.790 1.00 . A A . 10 ALA N 1 1 18 4983 1 1 10 ALA O O 6.566 -2.275 0.295 1.00 . A A . 10 ALA O 1 1 18 4984 1 1 11 VAL C C 6.740 0.271 -0.654 1.00 . A A . 11 VAL C 1 1 18 4985 1 1 11 VAL CA C 5.631 -0.417 -1.428 1.00 . A A . 11 VAL CA 1 1 18 4986 1 1 11 VAL CB C 4.838 0.617 -2.239 1.00 . A A . 11 VAL CB 1 1 18 4987 1 1 11 VAL CG1 C 5.754 1.339 -3.215 1.00 . A A . 11 VAL CG1 1 1 18 4988 1 1 11 VAL CG2 C 3.688 -0.056 -2.966 1.00 . A A . 11 VAL CG2 1 1 18 4989 1 1 11 VAL H H 3.849 -0.919 -0.394 1.00 . A A . 11 VAL H 1 1 18 4990 1 1 11 VAL HA H 6.066 -1.144 -2.098 1.00 . A A . 11 VAL HA 1 1 18 4991 1 1 11 VAL HB H 4.429 1.346 -1.556 1.00 . A A . 11 VAL HB 1 1 18 4992 1 1 11 VAL HG11 H 6.782 1.188 -2.916 1.00 . A A . 11 VAL HG11 1 1 18 4993 1 1 11 VAL HG12 H 5.527 2.393 -3.209 1.00 . A A . 11 VAL HG12 1 1 18 4994 1 1 11 VAL HG13 H 5.606 0.943 -4.208 1.00 . A A . 11 VAL HG13 1 1 18 4995 1 1 11 VAL HG21 H 3.485 -1.012 -2.504 1.00 . A A . 11 VAL HG21 1 1 18 4996 1 1 11 VAL HG22 H 3.953 -0.206 -4.002 1.00 . A A . 11 VAL HG22 1 1 18 4997 1 1 11 VAL HG23 H 2.808 0.567 -2.904 1.00 . A A . 11 VAL HG23 1 1 18 4998 1 1 11 VAL N N 4.807 -1.127 -0.473 1.00 . A A . 11 VAL N 1 1 18 4999 1 1 11 VAL O O 7.868 0.401 -1.125 1.00 . A A . 11 VAL O 1 1 18 5000 1 1 12 LEU C C 8.573 0.350 1.581 1.00 . A A . 12 LEU C 1 1 18 5001 1 1 12 LEU CA C 7.356 1.250 1.492 1.00 . A A . 12 LEU CA 1 1 18 5002 1 1 12 LEU CB C 6.722 1.355 2.874 1.00 . A A . 12 LEU CB 1 1 18 5003 1 1 12 LEU CD1 C 5.190 2.540 4.468 1.00 . A A . 12 LEU CD1 1 1 18 5004 1 1 12 LEU CD2 C 6.107 3.756 2.485 1.00 . A A . 12 LEU CD2 1 1 18 5005 1 1 12 LEU CG C 5.626 2.414 3.016 1.00 . A A . 12 LEU CG 1 1 18 5006 1 1 12 LEU H H 5.499 0.464 0.899 1.00 . A A . 12 LEU H 1 1 18 5007 1 1 12 LEU HA H 7.634 2.228 1.130 1.00 . A A . 12 LEU HA 1 1 18 5008 1 1 12 LEU HB2 H 6.296 0.380 3.112 1.00 . A A . 12 LEU HB2 1 1 18 5009 1 1 12 LEU HB3 H 7.500 1.571 3.590 1.00 . A A . 12 LEU HB3 1 1 18 5010 1 1 12 LEU HD11 H 4.334 1.906 4.644 1.00 . A A . 12 LEU HD11 1 1 18 5011 1 1 12 LEU HD12 H 4.928 3.566 4.676 1.00 . A A . 12 LEU HD12 1 1 18 5012 1 1 12 LEU HD13 H 6.001 2.236 5.114 1.00 . A A . 12 LEU HD13 1 1 18 5013 1 1 12 LEU HD21 H 5.547 4.551 2.955 1.00 . A A . 12 LEU HD21 1 1 18 5014 1 1 12 LEU HD22 H 5.959 3.795 1.416 1.00 . A A . 12 LEU HD22 1 1 18 5015 1 1 12 LEU HD23 H 7.156 3.876 2.707 1.00 . A A . 12 LEU HD23 1 1 18 5016 1 1 12 LEU HG H 4.766 2.111 2.436 1.00 . A A . 12 LEU HG 1 1 18 5017 1 1 12 LEU N N 6.406 0.646 0.579 1.00 . A A . 12 LEU N 1 1 18 5018 1 1 12 LEU O O 9.711 0.805 1.703 1.00 . A A . 12 LEU O 1 1 18 5019 1 1 13 LYS C C 10.031 -2.073 0.236 1.00 . A A . 13 LYS C 1 1 18 5020 1 1 13 LYS CA C 9.314 -1.970 1.569 1.00 . A A . 13 LYS CA 1 1 18 5021 1 1 13 LYS CB C 8.673 -3.315 1.901 1.00 . A A . 13 LYS CB 1 1 18 5022 1 1 13 LYS CD C 7.879 -4.830 3.745 1.00 . A A . 13 LYS CD 1 1 18 5023 1 1 13 LYS CE C 8.541 -5.117 5.083 1.00 . A A . 13 LYS CE 1 1 18 5024 1 1 13 LYS CG C 8.101 -3.389 3.309 1.00 . A A . 13 LYS CG 1 1 18 5025 1 1 13 LYS H H 7.352 -1.216 1.400 1.00 . A A . 13 LYS H 1 1 18 5026 1 1 13 LYS HA H 10.011 -1.705 2.341 1.00 . A A . 13 LYS HA 1 1 18 5027 1 1 13 LYS HB2 H 7.871 -3.495 1.198 1.00 . A A . 13 LYS HB2 1 1 18 5028 1 1 13 LYS HB3 H 9.415 -4.091 1.794 1.00 . A A . 13 LYS HB3 1 1 18 5029 1 1 13 LYS HD2 H 6.817 -5.008 3.835 1.00 . A A . 13 LYS HD2 1 1 18 5030 1 1 13 LYS HD3 H 8.295 -5.491 2.999 1.00 . A A . 13 LYS HD3 1 1 18 5031 1 1 13 LYS HE2 H 8.861 -6.148 5.098 1.00 . A A . 13 LYS HE2 1 1 18 5032 1 1 13 LYS HE3 H 9.400 -4.472 5.191 1.00 . A A . 13 LYS HE3 1 1 18 5033 1 1 13 LYS HG2 H 8.793 -2.918 3.993 1.00 . A A . 13 LYS HG2 1 1 18 5034 1 1 13 LYS HG3 H 7.157 -2.865 3.331 1.00 . A A . 13 LYS HG3 1 1 18 5035 1 1 13 LYS HZ1 H 6.861 -5.604 6.227 1.00 . A A . 13 LYS HZ1 1 1 18 5036 1 1 13 LYS HZ2 H 7.175 -3.944 6.142 1.00 . A A . 13 LYS HZ2 1 1 18 5037 1 1 13 LYS HZ3 H 8.132 -4.935 7.125 1.00 . A A . 13 LYS HZ3 1 1 18 5038 1 1 13 LYS N N 8.292 -0.944 1.508 1.00 . A A . 13 LYS N 1 1 18 5039 1 1 13 LYS NZ N 7.612 -4.883 6.224 1.00 . A A . 13 LYS NZ 1 1 18 5040 1 1 13 LYS O O 11.249 -2.241 0.172 1.00 . A A . 13 LYS O 1 1 18 5041 1 1 14 VAL C C 10.455 -0.748 -2.568 1.00 . A A . 14 VAL C 1 1 18 5042 1 1 14 VAL CA C 9.751 -2.045 -2.176 1.00 . A A . 14 VAL CA 1 1 18 5043 1 1 14 VAL CB C 8.584 -2.346 -3.140 1.00 . A A . 14 VAL CB 1 1 18 5044 1 1 14 VAL CG1 C 8.783 -1.690 -4.503 1.00 . A A . 14 VAL CG1 1 1 18 5045 1 1 14 VAL CG2 C 8.397 -3.848 -3.291 1.00 . A A . 14 VAL CG2 1 1 18 5046 1 1 14 VAL H H 8.292 -1.835 -0.692 1.00 . A A . 14 VAL H 1 1 18 5047 1 1 14 VAL HA H 10.448 -2.855 -2.217 1.00 . A A . 14 VAL HA 1 1 18 5048 1 1 14 VAL HB H 7.683 -1.942 -2.695 1.00 . A A . 14 VAL HB 1 1 18 5049 1 1 14 VAL HG11 H 9.764 -1.937 -4.881 1.00 . A A . 14 VAL HG11 1 1 18 5050 1 1 14 VAL HG12 H 8.695 -0.619 -4.402 1.00 . A A . 14 VAL HG12 1 1 18 5051 1 1 14 VAL HG13 H 8.031 -2.051 -5.188 1.00 . A A . 14 VAL HG13 1 1 18 5052 1 1 14 VAL HG21 H 8.980 -4.201 -4.128 1.00 . A A . 14 VAL HG21 1 1 18 5053 1 1 14 VAL HG22 H 7.353 -4.064 -3.463 1.00 . A A . 14 VAL HG22 1 1 18 5054 1 1 14 VAL HG23 H 8.724 -4.344 -2.390 1.00 . A A . 14 VAL HG23 1 1 18 5055 1 1 14 VAL N N 9.248 -1.969 -0.824 1.00 . A A . 14 VAL N 1 1 18 5056 1 1 14 VAL O O 11.104 -0.662 -3.610 1.00 . A A . 14 VAL O 1 1 18 5057 1 1 15 LEU C C 12.375 1.572 -1.523 1.00 . A A . 15 LEU C 1 1 18 5058 1 1 15 LEU CA C 10.907 1.559 -1.941 1.00 . A A . 15 LEU CA 1 1 18 5059 1 1 15 LEU CB C 10.121 2.606 -1.155 1.00 . A A . 15 LEU CB 1 1 18 5060 1 1 15 LEU CD1 C 8.392 3.641 -2.647 1.00 . A A . 15 LEU CD1 1 1 18 5061 1 1 15 LEU CD2 C 9.666 5.067 -1.034 1.00 . A A . 15 LEU CD2 1 1 18 5062 1 1 15 LEU CG C 9.727 3.853 -1.949 1.00 . A A . 15 LEU CG 1 1 18 5063 1 1 15 LEU H H 9.779 0.113 -0.909 1.00 . A A . 15 LEU H 1 1 18 5064 1 1 15 LEU HA H 10.838 1.783 -2.994 1.00 . A A . 15 LEU HA 1 1 18 5065 1 1 15 LEU HB2 H 9.218 2.133 -0.787 1.00 . A A . 15 LEU HB2 1 1 18 5066 1 1 15 LEU HB3 H 10.715 2.916 -0.308 1.00 . A A . 15 LEU HB3 1 1 18 5067 1 1 15 LEU HD11 H 8.412 2.707 -3.187 1.00 . A A . 15 LEU HD11 1 1 18 5068 1 1 15 LEU HD12 H 8.215 4.453 -3.338 1.00 . A A . 15 LEU HD12 1 1 18 5069 1 1 15 LEU HD13 H 7.601 3.616 -1.912 1.00 . A A . 15 LEU HD13 1 1 18 5070 1 1 15 LEU HD21 H 10.277 4.892 -0.161 1.00 . A A . 15 LEU HD21 1 1 18 5071 1 1 15 LEU HD22 H 8.644 5.238 -0.729 1.00 . A A . 15 LEU HD22 1 1 18 5072 1 1 15 LEU HD23 H 10.034 5.935 -1.563 1.00 . A A . 15 LEU HD23 1 1 18 5073 1 1 15 LEU HG H 10.474 4.041 -2.707 1.00 . A A . 15 LEU HG 1 1 18 5074 1 1 15 LEU N N 10.310 0.254 -1.716 1.00 . A A . 15 LEU N 1 1 18 5075 1 1 15 LEU O O 13.242 1.682 -2.416 1.00 . A A . 15 LEU O 1 1 18 5076 1 1 15 LEU OXT O 12.645 1.471 -0.308 1.00 . A A . 15 LEU OXT 1 1 19 5077 1 1 1 LYS C C -6.681 1.927 4.179 1.00 . A A . 1 LYS C 1 1 19 5078 1 1 1 LYS CA C -6.315 3.396 4.162 1.00 . A A . 1 LYS CA 1 1 19 5079 1 1 1 LYS CB C -7.344 4.208 4.952 1.00 . A A . 1 LYS CB 1 1 19 5080 1 1 1 LYS CD C -9.784 4.679 5.344 1.00 . A A . 1 LYS CD 1 1 19 5081 1 1 1 LYS CE C -10.848 3.627 5.617 1.00 . A A . 1 LYS CE 1 1 19 5082 1 1 1 LYS CG C -8.743 4.177 4.355 1.00 . A A . 1 LYS CG 1 1 19 5083 1 1 1 LYS H1 H -7.220 4.106 2.453 1.00 . A A . 1 LYS H1 1 1 19 5084 1 1 1 LYS H2 H -5.788 3.203 2.182 1.00 . A A . 1 LYS H2 1 1 19 5085 1 1 1 LYS H3 H -5.693 4.803 2.794 1.00 . A A . 1 LYS H3 1 1 19 5086 1 1 1 LYS HA H -5.358 3.506 4.612 1.00 . A A . 1 LYS HA 1 1 19 5087 1 1 1 LYS HB2 H -7.398 3.814 5.955 1.00 . A A . 1 LYS HB2 1 1 19 5088 1 1 1 LYS HB3 H -7.017 5.235 4.994 1.00 . A A . 1 LYS HB3 1 1 19 5089 1 1 1 LYS HD2 H -9.295 4.930 6.273 1.00 . A A . 1 LYS HD2 1 1 19 5090 1 1 1 LYS HD3 H -10.258 5.559 4.936 1.00 . A A . 1 LYS HD3 1 1 19 5091 1 1 1 LYS HE2 H -11.279 3.316 4.677 1.00 . A A . 1 LYS HE2 1 1 19 5092 1 1 1 LYS HE3 H -10.382 2.778 6.095 1.00 . A A . 1 LYS HE3 1 1 19 5093 1 1 1 LYS HG2 H -8.763 4.807 3.478 1.00 . A A . 1 LYS HG2 1 1 19 5094 1 1 1 LYS HG3 H -8.982 3.161 4.077 1.00 . A A . 1 LYS HG3 1 1 19 5095 1 1 1 LYS HZ1 H -12.128 5.142 6.272 1.00 . A A . 1 LYS HZ1 1 1 19 5096 1 1 1 LYS HZ2 H -11.643 4.078 7.495 1.00 . A A . 1 LYS HZ2 1 1 19 5097 1 1 1 LYS HZ3 H -12.800 3.591 6.361 1.00 . A A . 1 LYS HZ3 1 1 19 5098 1 1 1 LYS N N -6.249 3.925 2.773 1.00 . A A . 1 LYS N 1 1 19 5099 1 1 1 LYS NZ N -11.930 4.146 6.498 1.00 . A A . 1 LYS NZ 1 1 19 5100 1 1 1 LYS O O -6.243 1.166 5.041 1.00 . A A . 1 LYS O 1 1 19 5101 1 1 2 TRP C C -7.119 -0.898 2.585 1.00 . A A . 2 TRP C 1 1 19 5102 1 1 2 TRP CA C -8.043 0.202 3.164 1.00 . A A . 2 TRP CA 1 1 19 5103 1 1 2 TRP CB C -9.409 0.184 2.493 1.00 . A A . 2 TRP CB 1 1 19 5104 1 1 2 TRP CD1 C -10.744 2.109 1.603 1.00 . A A . 2 TRP CD1 1 1 19 5105 1 1 2 TRP CD2 C -8.662 2.031 0.941 1.00 . A A . 2 TRP CD2 1 1 19 5106 1 1 2 TRP CE2 C -9.238 3.139 0.333 1.00 . A A . 2 TRP CE2 1 1 19 5107 1 1 2 TRP CE3 C -7.349 1.731 0.735 1.00 . A A . 2 TRP CE3 1 1 19 5108 1 1 2 TRP CG C -9.635 1.390 1.696 1.00 . A A . 2 TRP CG 1 1 19 5109 1 1 2 TRP CH2 C -7.187 3.658 -0.694 1.00 . A A . 2 TRP CH2 1 1 19 5110 1 1 2 TRP CZ2 C -8.509 3.975 -0.505 1.00 . A A . 2 TRP CZ2 1 1 19 5111 1 1 2 TRP CZ3 C -6.616 2.537 -0.066 1.00 . A A . 2 TRP CZ3 1 1 19 5112 1 1 2 TRP H H -7.872 2.245 2.656 1.00 . A A . 2 TRP H 1 1 19 5113 1 1 2 TRP HA H -8.193 -0.040 4.141 1.00 . A A . 2 TRP HA 1 1 19 5114 1 1 2 TRP HB2 H -9.478 -0.661 1.837 1.00 . A A . 2 TRP HB2 1 1 19 5115 1 1 2 TRP HB3 H -10.177 0.126 3.242 1.00 . A A . 2 TRP HB3 1 1 19 5116 1 1 2 TRP HD1 H -11.633 1.855 2.118 1.00 . A A . 2 TRP HD1 1 1 19 5117 1 1 2 TRP HE1 H -11.207 3.830 0.495 1.00 . A A . 2 TRP HE1 1 1 19 5118 1 1 2 TRP HE3 H -6.899 0.872 1.239 1.00 . A A . 2 TRP HE3 1 1 19 5119 1 1 2 TRP HH2 H -6.564 4.274 -1.326 1.00 . A A . 2 TRP HH2 1 1 19 5120 1 1 2 TRP HZ2 H -8.947 4.837 -0.987 1.00 . A A . 2 TRP HZ2 1 1 19 5121 1 1 2 TRP HZ3 H -5.590 2.309 -0.210 1.00 . A A . 2 TRP HZ3 1 1 19 5122 1 1 2 TRP N N -7.528 1.562 3.253 1.00 . A A . 2 TRP N 1 1 19 5123 1 1 2 TRP NE1 N -10.544 3.171 0.748 1.00 . A A . 2 TRP NE1 1 1 19 5124 1 1 2 TRP O O -6.217 -1.369 3.278 1.00 . A A . 2 TRP O 1 1 19 5125 1 1 3 LYS C C -5.451 -1.996 -0.045 1.00 . A A . 3 LYS C 1 1 19 5126 1 1 3 LYS CA C -6.627 -2.470 0.754 1.00 . A A . 3 LYS CA 1 1 19 5127 1 1 3 LYS CB C -7.533 -3.351 -0.107 1.00 . A A . 3 LYS CB 1 1 19 5128 1 1 3 LYS CD C -8.035 -5.542 1.016 1.00 . A A . 3 LYS CD 1 1 19 5129 1 1 3 LYS CE C -9.244 -6.220 0.392 1.00 . A A . 3 LYS CE 1 1 19 5130 1 1 3 LYS CG C -7.194 -4.831 -0.030 1.00 . A A . 3 LYS CG 1 1 19 5131 1 1 3 LYS H H -8.129 -0.995 0.841 1.00 . A A . 3 LYS H 1 1 19 5132 1 1 3 LYS HA H -6.252 -3.043 1.559 1.00 . A A . 3 LYS HA 1 1 19 5133 1 1 3 LYS HB2 H -8.555 -3.222 0.217 1.00 . A A . 3 LYS HB2 1 1 19 5134 1 1 3 LYS HB3 H -7.447 -3.037 -1.137 1.00 . A A . 3 LYS HB3 1 1 19 5135 1 1 3 LYS HD2 H -7.430 -6.290 1.506 1.00 . A A . 3 LYS HD2 1 1 19 5136 1 1 3 LYS HD3 H -8.375 -4.818 1.743 1.00 . A A . 3 LYS HD3 1 1 19 5137 1 1 3 LYS HE2 H -9.746 -5.512 -0.251 1.00 . A A . 3 LYS HE2 1 1 19 5138 1 1 3 LYS HE3 H -8.906 -7.061 -0.195 1.00 . A A . 3 LYS HE3 1 1 19 5139 1 1 3 LYS HG2 H -7.378 -5.283 -0.994 1.00 . A A . 3 LYS HG2 1 1 19 5140 1 1 3 LYS HG3 H -6.150 -4.938 0.226 1.00 . A A . 3 LYS HG3 1 1 19 5141 1 1 3 LYS HZ1 H -10.666 -7.576 1.099 1.00 . A A . 3 LYS HZ1 1 1 19 5142 1 1 3 LYS HZ2 H -10.935 -5.982 1.596 1.00 . A A . 3 LYS HZ2 1 1 19 5143 1 1 3 LYS HZ3 H -9.706 -6.895 2.314 1.00 . A A . 3 LYS HZ3 1 1 19 5144 1 1 3 LYS N N -7.390 -1.366 1.346 1.00 . A A . 3 LYS N 1 1 19 5145 1 1 3 LYS NZ N -10.205 -6.702 1.422 1.00 . A A . 3 LYS NZ 1 1 19 5146 1 1 3 LYS O O -4.570 -2.764 -0.425 1.00 . A A . 3 LYS O 1 1 19 5147 1 1 4 LEU C C -3.376 0.468 0.077 1.00 . A A . 4 LEU C 1 1 19 5148 1 1 4 LEU CA C -4.330 -0.107 -0.945 1.00 . A A . 4 LEU CA 1 1 19 5149 1 1 4 LEU CB C -4.804 0.973 -1.872 1.00 . A A . 4 LEU CB 1 1 19 5150 1 1 4 LEU CD1 C -5.834 0.088 -3.979 1.00 . A A . 4 LEU CD1 1 1 19 5151 1 1 4 LEU CD2 C -4.211 1.989 -4.086 1.00 . A A . 4 LEU CD2 1 1 19 5152 1 1 4 LEU CG C -4.588 0.704 -3.361 1.00 . A A . 4 LEU CG 1 1 19 5153 1 1 4 LEU H H -6.132 -0.191 0.123 1.00 . A A . 4 LEU H 1 1 19 5154 1 1 4 LEU HA H -3.827 -0.871 -1.517 1.00 . A A . 4 LEU HA 1 1 19 5155 1 1 4 LEU HB2 H -5.854 1.117 -1.696 1.00 . A A . 4 LEU HB2 1 1 19 5156 1 1 4 LEU HB3 H -4.271 1.864 -1.604 1.00 . A A . 4 LEU HB3 1 1 19 5157 1 1 4 LEU HD11 H -5.707 0.017 -5.050 1.00 . A A . 4 LEU HD11 1 1 19 5158 1 1 4 LEU HD12 H -6.689 0.708 -3.758 1.00 . A A . 4 LEU HD12 1 1 19 5159 1 1 4 LEU HD13 H -5.988 -0.898 -3.570 1.00 . A A . 4 LEU HD13 1 1 19 5160 1 1 4 LEU HD21 H -3.140 2.124 -4.045 1.00 . A A . 4 LEU HD21 1 1 19 5161 1 1 4 LEU HD22 H -4.698 2.827 -3.609 1.00 . A A . 4 LEU HD22 1 1 19 5162 1 1 4 LEU HD23 H -4.527 1.927 -5.117 1.00 . A A . 4 LEU HD23 1 1 19 5163 1 1 4 LEU HG H -3.775 0.002 -3.480 1.00 . A A . 4 LEU HG 1 1 19 5164 1 1 4 LEU N N -5.422 -0.727 -0.249 1.00 . A A . 4 LEU N 1 1 19 5165 1 1 4 LEU O O -2.178 0.558 -0.166 1.00 . A A . 4 LEU O 1 1 19 5166 1 1 5 PHE C C -2.075 0.198 2.654 1.00 . A A . 5 PHE C 1 1 19 5167 1 1 5 PHE CA C -3.064 1.283 2.337 1.00 . A A . 5 PHE CA 1 1 19 5168 1 1 5 PHE CB C -3.907 1.590 3.559 1.00 . A A . 5 PHE CB 1 1 19 5169 1 1 5 PHE CD1 C -2.565 2.968 5.161 1.00 . A A . 5 PHE CD1 1 1 19 5170 1 1 5 PHE CD2 C -2.879 0.657 5.651 1.00 . A A . 5 PHE CD2 1 1 19 5171 1 1 5 PHE CE1 C -1.807 3.113 6.307 1.00 . A A . 5 PHE CE1 1 1 19 5172 1 1 5 PHE CE2 C -2.125 0.795 6.801 1.00 . A A . 5 PHE CE2 1 1 19 5173 1 1 5 PHE CG C -3.107 1.743 4.821 1.00 . A A . 5 PHE CG 1 1 19 5174 1 1 5 PHE CZ C -1.587 2.024 7.130 1.00 . A A . 5 PHE CZ 1 1 19 5175 1 1 5 PHE H H -4.865 0.638 1.436 1.00 . A A . 5 PHE H 1 1 19 5176 1 1 5 PHE HA H -2.547 2.169 2.007 1.00 . A A . 5 PHE HA 1 1 19 5177 1 1 5 PHE HB2 H -4.428 2.509 3.383 1.00 . A A . 5 PHE HB2 1 1 19 5178 1 1 5 PHE HB3 H -4.625 0.788 3.702 1.00 . A A . 5 PHE HB3 1 1 19 5179 1 1 5 PHE HD1 H -2.737 3.818 4.516 1.00 . A A . 5 PHE HD1 1 1 19 5180 1 1 5 PHE HD2 H -3.298 -0.304 5.394 1.00 . A A . 5 PHE HD2 1 1 19 5181 1 1 5 PHE HE1 H -1.389 4.075 6.562 1.00 . A A . 5 PHE HE1 1 1 19 5182 1 1 5 PHE HE2 H -1.955 -0.059 7.441 1.00 . A A . 5 PHE HE2 1 1 19 5183 1 1 5 PHE HZ H -0.996 2.134 8.026 1.00 . A A . 5 PHE HZ 1 1 19 5184 1 1 5 PHE N N -3.904 0.791 1.263 1.00 . A A . 5 PHE N 1 1 19 5185 1 1 5 PHE O O -0.963 0.434 3.125 1.00 . A A . 5 PHE O 1 1 19 5186 1 1 6 LYS C C -0.851 -2.364 1.296 1.00 . A A . 6 LYS C 1 1 19 5187 1 1 6 LYS CA C -1.738 -2.178 2.516 1.00 . A A . 6 LYS CA 1 1 19 5188 1 1 6 LYS CB C -2.654 -3.380 2.752 1.00 . A A . 6 LYS CB 1 1 19 5189 1 1 6 LYS CD C -3.318 -5.436 1.468 1.00 . A A . 6 LYS CD 1 1 19 5190 1 1 6 LYS CE C -1.972 -5.981 1.019 1.00 . A A . 6 LYS CE 1 1 19 5191 1 1 6 LYS CG C -3.322 -3.916 1.499 1.00 . A A . 6 LYS CG 1 1 19 5192 1 1 6 LYS H H -3.399 -1.078 1.940 1.00 . A A . 6 LYS H 1 1 19 5193 1 1 6 LYS HA H -1.126 -2.025 3.380 1.00 . A A . 6 LYS HA 1 1 19 5194 1 1 6 LYS HB2 H -2.080 -4.177 3.199 1.00 . A A . 6 LYS HB2 1 1 19 5195 1 1 6 LYS HB3 H -3.433 -3.077 3.439 1.00 . A A . 6 LYS HB3 1 1 19 5196 1 1 6 LYS HD2 H -3.532 -5.806 2.460 1.00 . A A . 6 LYS HD2 1 1 19 5197 1 1 6 LYS HD3 H -4.081 -5.774 0.782 1.00 . A A . 6 LYS HD3 1 1 19 5198 1 1 6 LYS HE2 H -1.838 -5.753 -0.028 1.00 . A A . 6 LYS HE2 1 1 19 5199 1 1 6 LYS HE3 H -1.194 -5.502 1.594 1.00 . A A . 6 LYS HE3 1 1 19 5200 1 1 6 LYS HG2 H -4.345 -3.567 1.480 1.00 . A A . 6 LYS HG2 1 1 19 5201 1 1 6 LYS HG3 H -2.795 -3.544 0.630 1.00 . A A . 6 LYS HG3 1 1 19 5202 1 1 6 LYS HZ1 H -1.476 -7.670 2.143 1.00 . A A . 6 LYS HZ1 1 1 19 5203 1 1 6 LYS HZ2 H -1.268 -7.871 0.477 1.00 . A A . 6 LYS HZ2 1 1 19 5204 1 1 6 LYS HZ3 H -2.823 -7.885 1.140 1.00 . A A . 6 LYS HZ3 1 1 19 5205 1 1 6 LYS N N -2.517 -0.999 2.337 1.00 . A A . 6 LYS N 1 1 19 5206 1 1 6 LYS NZ N -1.878 -7.454 1.208 1.00 . A A . 6 LYS NZ 1 1 19 5207 1 1 6 LYS O O 0.236 -2.933 1.384 1.00 . A A . 6 LYS O 1 1 19 5208 1 1 7 LYS C C 0.415 -0.745 -1.143 1.00 . A A . 7 LYS C 1 1 19 5209 1 1 7 LYS CA C -0.535 -1.911 -1.067 1.00 . A A . 7 LYS CA 1 1 19 5210 1 1 7 LYS CB C -1.444 -1.947 -2.297 1.00 . A A . 7 LYS CB 1 1 19 5211 1 1 7 LYS CD C 0.108 -3.356 -3.688 1.00 . A A . 7 LYS CD 1 1 19 5212 1 1 7 LYS CE C 1.560 -3.099 -4.055 1.00 . A A . 7 LYS CE 1 1 19 5213 1 1 7 LYS CG C -0.687 -2.061 -3.611 1.00 . A A . 7 LYS CG 1 1 19 5214 1 1 7 LYS H H -2.182 -1.359 0.139 1.00 . A A . 7 LYS H 1 1 19 5215 1 1 7 LYS HA H 0.050 -2.796 -1.029 1.00 . A A . 7 LYS HA 1 1 19 5216 1 1 7 LYS HB2 H -2.109 -2.793 -2.215 1.00 . A A . 7 LYS HB2 1 1 19 5217 1 1 7 LYS HB3 H -2.030 -1.041 -2.323 1.00 . A A . 7 LYS HB3 1 1 19 5218 1 1 7 LYS HD2 H 0.072 -3.848 -2.728 1.00 . A A . 7 LYS HD2 1 1 19 5219 1 1 7 LYS HD3 H -0.336 -3.994 -4.438 1.00 . A A . 7 LYS HD3 1 1 19 5220 1 1 7 LYS HE2 H 1.817 -2.089 -3.773 1.00 . A A . 7 LYS HE2 1 1 19 5221 1 1 7 LYS HE3 H 2.184 -3.793 -3.510 1.00 . A A . 7 LYS HE3 1 1 19 5222 1 1 7 LYS HG2 H -1.395 -2.036 -4.426 1.00 . A A . 7 LYS HG2 1 1 19 5223 1 1 7 LYS HG3 H -0.008 -1.226 -3.696 1.00 . A A . 7 LYS HG3 1 1 19 5224 1 1 7 LYS HZ1 H 1.732 -4.276 -5.773 1.00 . A A . 7 LYS HZ1 1 1 19 5225 1 1 7 LYS HZ2 H 2.755 -2.930 -5.760 1.00 . A A . 7 LYS HZ2 1 1 19 5226 1 1 7 LYS HZ3 H 1.102 -2.732 -6.059 1.00 . A A . 7 LYS HZ3 1 1 19 5227 1 1 7 LYS N N -1.312 -1.836 0.153 1.00 . A A . 7 LYS N 1 1 19 5228 1 1 7 LYS NZ N 1.805 -3.271 -5.514 1.00 . A A . 7 LYS NZ 1 1 19 5229 1 1 7 LYS O O 1.381 -0.759 -1.908 1.00 . A A . 7 LYS O 1 1 19 5230 1 1 8 ILE C C 2.063 1.303 0.766 1.00 . A A . 8 ILE C 1 1 19 5231 1 1 8 ILE CA C 1.007 1.426 -0.316 1.00 . A A . 8 ILE CA 1 1 19 5232 1 1 8 ILE CB C 0.193 2.728 -0.137 1.00 . A A . 8 ILE CB 1 1 19 5233 1 1 8 ILE CD1 C -1.783 3.909 -1.223 1.00 . A A . 8 ILE CD1 1 1 19 5234 1 1 8 ILE CG1 C -0.538 3.074 -1.435 1.00 . A A . 8 ILE CG1 1 1 19 5235 1 1 8 ILE CG2 C 1.092 3.881 0.291 1.00 . A A . 8 ILE CG2 1 1 19 5236 1 1 8 ILE H H -0.625 0.217 0.275 1.00 . A A . 8 ILE H 1 1 19 5237 1 1 8 ILE HA H 1.498 1.448 -1.263 1.00 . A A . 8 ILE HA 1 1 19 5238 1 1 8 ILE HB H -0.536 2.564 0.643 1.00 . A A . 8 ILE HB 1 1 19 5239 1 1 8 ILE HD11 H -1.647 4.545 -0.361 1.00 . A A . 8 ILE HD11 1 1 19 5240 1 1 8 ILE HD12 H -2.630 3.258 -1.061 1.00 . A A . 8 ILE HD12 1 1 19 5241 1 1 8 ILE HD13 H -1.960 4.520 -2.095 1.00 . A A . 8 ILE HD13 1 1 19 5242 1 1 8 ILE HG12 H 0.127 3.629 -2.078 1.00 . A A . 8 ILE HG12 1 1 19 5243 1 1 8 ILE HG13 H -0.831 2.160 -1.929 1.00 . A A . 8 ILE HG13 1 1 19 5244 1 1 8 ILE HG21 H 1.509 3.666 1.265 1.00 . A A . 8 ILE HG21 1 1 19 5245 1 1 8 ILE HG22 H 0.512 4.790 0.341 1.00 . A A . 8 ILE HG22 1 1 19 5246 1 1 8 ILE HG23 H 1.890 4.001 -0.425 1.00 . A A . 8 ILE HG23 1 1 19 5247 1 1 8 ILE N N 0.154 0.263 -0.331 1.00 . A A . 8 ILE N 1 1 19 5248 1 1 8 ILE O O 3.182 1.797 0.626 1.00 . A A . 8 ILE O 1 1 19 5249 1 1 9 GLY C C 3.700 -0.581 2.532 1.00 . A A . 9 GLY C 1 1 19 5250 1 1 9 GLY CA C 2.623 0.407 2.920 1.00 . A A . 9 GLY CA 1 1 19 5251 1 1 9 GLY H H 0.802 0.242 1.860 1.00 . A A . 9 GLY H 1 1 19 5252 1 1 9 GLY HA2 H 3.082 1.349 3.185 1.00 . A A . 9 GLY HA2 1 1 19 5253 1 1 9 GLY HA3 H 2.082 0.022 3.772 1.00 . A A . 9 GLY HA3 1 1 19 5254 1 1 9 GLY N N 1.700 0.620 1.829 1.00 . A A . 9 GLY N 1 1 19 5255 1 1 9 GLY O O 4.851 -0.477 2.957 1.00 . A A . 9 GLY O 1 1 19 5256 1 1 10 ALA C C 5.272 -1.900 0.290 1.00 . A A . 10 ALA C 1 1 19 5257 1 1 10 ALA CA C 4.310 -2.521 1.271 1.00 . A A . 10 ALA CA 1 1 19 5258 1 1 10 ALA CB C 3.650 -3.754 0.681 1.00 . A A . 10 ALA CB 1 1 19 5259 1 1 10 ALA H H 2.422 -1.585 1.368 1.00 . A A . 10 ALA H 1 1 19 5260 1 1 10 ALA HA H 4.872 -2.807 2.149 1.00 . A A . 10 ALA HA 1 1 19 5261 1 1 10 ALA HB1 H 4.302 -4.182 -0.069 1.00 . A A . 10 ALA HB1 1 1 19 5262 1 1 10 ALA HB2 H 2.711 -3.477 0.226 1.00 . A A . 10 ALA HB2 1 1 19 5263 1 1 10 ALA HB3 H 3.475 -4.478 1.461 1.00 . A A . 10 ALA HB3 1 1 19 5264 1 1 10 ALA N N 3.340 -1.544 1.700 1.00 . A A . 10 ALA N 1 1 19 5265 1 1 10 ALA O O 6.454 -2.227 0.289 1.00 . A A . 10 ALA O 1 1 19 5266 1 1 11 VAL C C 6.828 0.300 -0.622 1.00 . A A . 11 VAL C 1 1 19 5267 1 1 11 VAL CA C 5.691 -0.291 -1.438 1.00 . A A . 11 VAL CA 1 1 19 5268 1 1 11 VAL CB C 4.990 0.813 -2.241 1.00 . A A . 11 VAL CB 1 1 19 5269 1 1 11 VAL CG1 C 5.977 1.488 -3.181 1.00 . A A . 11 VAL CG1 1 1 19 5270 1 1 11 VAL CG2 C 3.811 0.239 -3.007 1.00 . A A . 11 VAL CG2 1 1 19 5271 1 1 11 VAL H H 3.847 -0.700 -0.470 1.00 . A A . 11 VAL H 1 1 19 5272 1 1 11 VAL HA H 6.091 -1.032 -2.115 1.00 . A A . 11 VAL HA 1 1 19 5273 1 1 11 VAL HB H 4.619 1.554 -1.550 1.00 . A A . 11 VAL HB 1 1 19 5274 1 1 11 VAL HG11 H 6.985 1.263 -2.861 1.00 . A A . 11 VAL HG11 1 1 19 5275 1 1 11 VAL HG12 H 5.822 2.556 -3.158 1.00 . A A . 11 VAL HG12 1 1 19 5276 1 1 11 VAL HG13 H 5.827 1.121 -4.185 1.00 . A A . 11 VAL HG13 1 1 19 5277 1 1 11 VAL HG21 H 4.093 0.080 -4.036 1.00 . A A . 11 VAL HG21 1 1 19 5278 1 1 11 VAL HG22 H 2.981 0.930 -2.962 1.00 . A A . 11 VAL HG22 1 1 19 5279 1 1 11 VAL HG23 H 3.521 -0.702 -2.563 1.00 . A A . 11 VAL HG23 1 1 19 5280 1 1 11 VAL N N 4.794 -0.963 -0.519 1.00 . A A . 11 VAL N 1 1 19 5281 1 1 11 VAL O O 7.970 0.377 -1.071 1.00 . A A . 11 VAL O 1 1 19 5282 1 1 12 LEU C C 8.614 0.180 1.658 1.00 . A A . 12 LEU C 1 1 19 5283 1 1 12 LEU CA C 7.465 1.165 1.568 1.00 . A A . 12 LEU CA 1 1 19 5284 1 1 12 LEU CB C 6.806 1.280 2.938 1.00 . A A . 12 LEU CB 1 1 19 5285 1 1 12 LEU CD1 C 7.976 3.346 3.742 1.00 . A A . 12 LEU CD1 1 1 19 5286 1 1 12 LEU CD2 C 7.012 1.734 5.394 1.00 . A A . 12 LEU CD2 1 1 19 5287 1 1 12 LEU CG C 7.683 1.883 4.036 1.00 . A A . 12 LEU CG 1 1 19 5288 1 1 12 LEU H H 5.573 0.515 0.918 1.00 . A A . 12 LEU H 1 1 19 5289 1 1 12 LEU HA H 7.818 2.130 1.238 1.00 . A A . 12 LEU HA 1 1 19 5290 1 1 12 LEU HB2 H 5.916 1.883 2.838 1.00 . A A . 12 LEU HB2 1 1 19 5291 1 1 12 LEU HB3 H 6.513 0.277 3.246 1.00 . A A . 12 LEU HB3 1 1 19 5292 1 1 12 LEU HD11 H 7.291 3.970 4.298 1.00 . A A . 12 LEU HD11 1 1 19 5293 1 1 12 LEU HD12 H 7.856 3.532 2.685 1.00 . A A . 12 LEU HD12 1 1 19 5294 1 1 12 LEU HD13 H 8.990 3.576 4.035 1.00 . A A . 12 LEU HD13 1 1 19 5295 1 1 12 LEU HD21 H 6.358 0.875 5.379 1.00 . A A . 12 LEU HD21 1 1 19 5296 1 1 12 LEU HD22 H 6.435 2.622 5.610 1.00 . A A . 12 LEU HD22 1 1 19 5297 1 1 12 LEU HD23 H 7.765 1.601 6.156 1.00 . A A . 12 LEU HD23 1 1 19 5298 1 1 12 LEU HG H 8.625 1.354 4.068 1.00 . A A . 12 LEU HG 1 1 19 5299 1 1 12 LEU N N 6.495 0.652 0.618 1.00 . A A . 12 LEU N 1 1 19 5300 1 1 12 LEU O O 9.778 0.549 1.815 1.00 . A A . 12 LEU O 1 1 19 5301 1 1 13 LYS C C 9.926 -2.302 0.274 1.00 . A A . 13 LYS C 1 1 19 5302 1 1 13 LYS CA C 9.186 -2.188 1.594 1.00 . A A . 13 LYS CA 1 1 19 5303 1 1 13 LYS CB C 8.438 -3.489 1.871 1.00 . A A . 13 LYS CB 1 1 19 5304 1 1 13 LYS CD C 8.808 -3.919 4.322 1.00 . A A . 13 LYS CD 1 1 19 5305 1 1 13 LYS CE C 8.659 -3.048 5.559 1.00 . A A . 13 LYS CE 1 1 19 5306 1 1 13 LYS CG C 7.798 -3.544 3.249 1.00 . A A . 13 LYS CG 1 1 19 5307 1 1 13 LYS H H 7.290 -1.289 1.407 1.00 . A A . 13 LYS H 1 1 19 5308 1 1 13 LYS HA H 9.882 -1.997 2.389 1.00 . A A . 13 LYS HA 1 1 19 5309 1 1 13 LYS HB2 H 7.660 -3.602 1.128 1.00 . A A . 13 LYS HB2 1 1 19 5310 1 1 13 LYS HB3 H 9.129 -4.314 1.785 1.00 . A A . 13 LYS HB3 1 1 19 5311 1 1 13 LYS HD2 H 8.655 -4.951 4.600 1.00 . A A . 13 LYS HD2 1 1 19 5312 1 1 13 LYS HD3 H 9.804 -3.796 3.923 1.00 . A A . 13 LYS HD3 1 1 19 5313 1 1 13 LYS HE2 H 9.433 -2.296 5.550 1.00 . A A . 13 LYS HE2 1 1 19 5314 1 1 13 LYS HE3 H 7.691 -2.569 5.534 1.00 . A A . 13 LYS HE3 1 1 19 5315 1 1 13 LYS HG2 H 7.385 -2.574 3.481 1.00 . A A . 13 LYS HG2 1 1 19 5316 1 1 13 LYS HG3 H 7.006 -4.280 3.238 1.00 . A A . 13 LYS HG3 1 1 19 5317 1 1 13 LYS HZ1 H 9.774 -3.961 7.073 1.00 . A A . 13 LYS HZ1 1 1 19 5318 1 1 13 LYS HZ2 H 8.347 -4.782 6.684 1.00 . A A . 13 LYS HZ2 1 1 19 5319 1 1 13 LYS HZ3 H 8.281 -3.357 7.591 1.00 . A A . 13 LYS HZ3 1 1 19 5320 1 1 13 LYS N N 8.243 -1.088 1.543 1.00 . A A . 13 LYS N 1 1 19 5321 1 1 13 LYS NZ N 8.772 -3.842 6.814 1.00 . A A . 13 LYS NZ 1 1 19 5322 1 1 13 LYS O O 11.128 -2.563 0.231 1.00 . A A . 13 LYS O 1 1 19 5323 1 1 14 VAL C C 10.522 -0.917 -2.468 1.00 . A A . 14 VAL C 1 1 19 5324 1 1 14 VAL CA C 9.711 -2.170 -2.141 1.00 . A A . 14 VAL CA 1 1 19 5325 1 1 14 VAL CB C 8.553 -2.351 -3.149 1.00 . A A . 14 VAL CB 1 1 19 5326 1 1 14 VAL CG1 C 8.782 -1.563 -4.434 1.00 . A A . 14 VAL CG1 1 1 19 5327 1 1 14 VAL CG2 C 8.346 -3.827 -3.455 1.00 . A A . 14 VAL CG2 1 1 19 5328 1 1 14 VAL H H 8.234 -1.897 -0.685 1.00 . A A . 14 VAL H 1 1 19 5329 1 1 14 VAL HA H 10.347 -3.027 -2.193 1.00 . A A . 14 VAL HA 1 1 19 5330 1 1 14 VAL HB H 7.652 -1.980 -2.678 1.00 . A A . 14 VAL HB 1 1 19 5331 1 1 14 VAL HG11 H 8.782 -0.506 -4.213 1.00 . A A . 14 VAL HG11 1 1 19 5332 1 1 14 VAL HG12 H 7.991 -1.783 -5.137 1.00 . A A . 14 VAL HG12 1 1 19 5333 1 1 14 VAL HG13 H 9.732 -1.842 -4.864 1.00 . A A . 14 VAL HG13 1 1 19 5334 1 1 14 VAL HG21 H 7.605 -4.234 -2.783 1.00 . A A . 14 VAL HG21 1 1 19 5335 1 1 14 VAL HG22 H 9.278 -4.356 -3.326 1.00 . A A . 14 VAL HG22 1 1 19 5336 1 1 14 VAL HG23 H 8.007 -3.938 -4.475 1.00 . A A . 14 VAL HG23 1 1 19 5337 1 1 14 VAL N N 9.179 -2.101 -0.800 1.00 . A A . 14 VAL N 1 1 19 5338 1 1 14 VAL O O 11.200 -0.842 -3.493 1.00 . A A . 14 VAL O 1 1 19 5339 1 1 15 LEU C C 12.611 1.182 -1.368 1.00 . A A . 15 LEU C 1 1 19 5340 1 1 15 LEU CA C 11.136 1.322 -1.737 1.00 . A A . 15 LEU CA 1 1 19 5341 1 1 15 LEU CB C 10.465 2.375 -0.859 1.00 . A A . 15 LEU CB 1 1 19 5342 1 1 15 LEU CD1 C 9.163 3.501 -2.681 1.00 . A A . 15 LEU CD1 1 1 19 5343 1 1 15 LEU CD2 C 9.637 4.720 -0.549 1.00 . A A . 15 LEU CD2 1 1 19 5344 1 1 15 LEU CG C 10.162 3.704 -1.553 1.00 . A A . 15 LEU CG 1 1 19 5345 1 1 15 LEU H H 9.875 -0.070 -0.789 1.00 . A A . 15 LEU H 1 1 19 5346 1 1 15 LEU HA H 11.058 1.623 -2.771 1.00 . A A . 15 LEU HA 1 1 19 5347 1 1 15 LEU HB2 H 9.532 1.958 -0.496 1.00 . A A . 15 LEU HB2 1 1 19 5348 1 1 15 LEU HB3 H 11.105 2.572 -0.012 1.00 . A A . 15 LEU HB3 1 1 19 5349 1 1 15 LEU HD11 H 9.655 3.023 -3.516 1.00 . A A . 15 LEU HD11 1 1 19 5350 1 1 15 LEU HD12 H 8.773 4.459 -2.994 1.00 . A A . 15 LEU HD12 1 1 19 5351 1 1 15 LEU HD13 H 8.352 2.877 -2.337 1.00 . A A . 15 LEU HD13 1 1 19 5352 1 1 15 LEU HD21 H 9.615 5.699 -1.006 1.00 . A A . 15 LEU HD21 1 1 19 5353 1 1 15 LEU HD22 H 10.283 4.740 0.315 1.00 . A A . 15 LEU HD22 1 1 19 5354 1 1 15 LEU HD23 H 8.638 4.443 -0.245 1.00 . A A . 15 LEU HD23 1 1 19 5355 1 1 15 LEU HG H 11.074 4.095 -1.980 1.00 . A A . 15 LEU HG 1 1 19 5356 1 1 15 LEU N N 10.435 0.060 -1.580 1.00 . A A . 15 LEU N 1 1 19 5357 1 1 15 LEU O O 12.948 0.232 -0.631 1.00 . A A . 15 LEU O 1 1 19 5358 1 1 15 LEU OXT O 13.415 2.024 -1.820 1.00 . A A . 15 LEU OXT 1 1 stop_ save_
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