NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
385318 | 1kz5 | 5291 | cing | 4-filtered-FRED | STAR | entry | full | 181 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1kz5 # This FRED archive file contains, for PDB entry <1kz5>: # # - 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_1kz5 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1kz5 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1723.16 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 $Antennapedia_protein A . 1 1 stop_ save_ save_Antennapedia_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Antennapedia protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code RQIKIWFRKWKK _Entity.Number_of_monomers 12 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 ARG . 1 1 2 GLN . 1 1 3 ILE . 1 1 4 LYS . 1 1 5 ILE . 1 1 6 TRP . 1 1 7 PHE . 1 1 8 ARG . 1 1 9 LYS . 1 1 10 TRP . 1 1 11 LYS . 1 1 12 LYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ARG 1 1 1 1 GLN 2 2 1 1 ILE 3 3 1 1 LYS 4 4 1 1 ILE 5 5 1 1 TRP 6 6 1 1 PHE 7 7 1 1 ARG 8 8 1 1 LYS 9 9 1 1 TRP 10 10 1 1 LYS 11 11 1 1 LYS 12 12 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 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 ARG HA . 1 . HA 1 1 1 1 2 1 1 2 GLN H . 2 . HN 1 1 2 1 1 1 1 1 ARG HB2 . 1 . HB2 1 1 2 1 2 1 1 1 ARG HD3 . 1 . HD1 1 1 3 1 1 1 1 1 ARG HB2 . 1 . HB2 1 1 3 1 2 1 1 1 ARG HE . 1 . HE 1 1 4 1 1 1 1 1 ARG HB3 . 1 . HB1 1 1 4 1 2 1 1 1 ARG HD3 . 1 . HD1 1 1 5 1 1 1 1 1 ARG HB3 . 1 . HB1 1 1 5 1 2 1 1 1 ARG HE . 1 . HE 1 1 6 1 1 1 1 1 ARG HB3 . 1 . HB1 1 1 6 1 2 1 1 1 ARG HG3 . 1 . HG1 1 1 7 1 1 1 1 1 ARG HD3 . 1 . HD1 1 1 7 1 2 1 1 1 ARG HG3 . 1 . HG1 1 1 8 1 1 1 1 1 ARG HE . 1 . HE 1 1 8 1 2 1 1 1 ARG HG3 . 1 . HG1 1 1 9 1 1 1 1 2 GLN H . 2 . HN 1 1 9 1 2 1 1 2 GLN HB2 . 2 . HB2 1 1 10 1 1 1 1 2 GLN H . 2 . HN 1 1 10 1 2 1 1 2 GLN HB3 . 2 . HB1 1 1 11 1 1 1 1 2 GLN H . 2 . HN 1 1 11 1 2 1 1 2 GLN HG2 . 2 . HG2 1 1 12 1 1 1 1 2 GLN H . 2 . HN 1 1 12 1 2 1 1 2 GLN HG3 . 2 . HG1 1 1 13 1 1 1 1 2 GLN H . 2 . HN 1 1 13 1 2 1 1 3 ILE H . 3 . HN 1 1 14 1 1 1 1 2 GLN HA . 2 . HA 1 1 14 1 2 1 1 2 GLN HE21 . 2 . HE21 1 1 15 1 1 1 1 2 GLN HA . 2 . HA 1 1 15 1 2 1 1 2 GLN HG2 . 2 . HG2 1 1 16 1 1 1 1 2 GLN HA . 2 . HA 1 1 16 1 2 1 1 2 GLN HG3 . 2 . HG1 1 1 17 1 1 1 1 2 GLN HA . 2 . HA 1 1 17 1 2 1 1 3 ILE H . 3 . HN 1 1 18 1 1 1 1 2 GLN HA . 2 . HA 1 1 18 1 2 1 1 3 ILE MG . 3 . HG2# 1 1 19 1 1 1 1 2 GLN HA . 2 . HA 1 1 19 1 2 1 1 4 LYS H . 4 . HN 1 1 20 1 1 1 1 2 GLN HB2 . 2 . HB2 1 1 20 1 2 1 1 3 ILE H . 3 . HN 1 1 21 1 1 1 1 2 GLN HB3 . 2 . HB1 1 1 21 1 2 1 1 2 GLN HG2 . 2 . HG2 1 1 22 1 1 1 1 2 GLN HB3 . 2 . HB1 1 1 22 1 2 1 1 2 GLN HG3 . 2 . HG1 1 1 23 1 1 1 1 2 GLN HB3 . 2 . HB1 1 1 23 1 2 1 1 3 ILE H . 3 . HN 1 1 24 1 1 1 1 2 GLN HE21 . 2 . HE21 1 1 24 1 2 1 1 2 GLN HG3 . 2 . HG1 1 1 25 1 1 1 1 2 GLN HE22 . 2 . HE22 1 1 25 1 2 1 1 2 GLN HG3 . 2 . HG1 1 1 26 1 1 1 1 2 GLN HG2 . 2 . HG2 1 1 26 1 2 1 1 3 ILE H . 3 . HN 1 1 27 1 1 1 1 2 GLN HG3 . 2 . HG1 1 1 27 1 2 1 1 3 ILE H . 3 . HN 1 1 28 1 1 1 1 3 ILE H . 3 . HN 1 1 28 1 2 1 1 3 ILE HA . 3 . HA 1 1 29 1 1 1 1 3 ILE H . 3 . HN 1 1 29 1 2 1 1 3 ILE HB . 3 . HB 1 1 30 1 1 1 1 3 ILE H . 3 . HN 1 1 30 1 2 1 1 3 ILE MD . 3 . HD1# 1 1 31 1 1 1 1 3 ILE H . 3 . HN 1 1 31 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 32 1 1 1 1 3 ILE H . 3 . HN 1 1 32 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1 33 1 1 1 1 3 ILE HA . 3 . HA 1 1 33 1 2 1 1 3 ILE HB . 3 . HB 1 1 34 1 1 1 1 3 ILE HA . 3 . HA 1 1 34 1 2 1 1 3 ILE MD . 3 . HD1# 1 1 35 1 1 1 1 3 ILE HA . 3 . HA 1 1 35 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1 36 1 1 1 1 3 ILE HA . 3 . HA 1 1 36 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1 37 1 1 1 1 3 ILE HA . 3 . HA 1 1 37 1 2 1 1 4 LYS H . 4 . HN 1 1 38 1 1 1 1 3 ILE HA . 3 . HA 1 1 38 1 2 1 1 6 TRP HB2 . 6 . HB2 1 1 39 1 1 1 1 3 ILE HA . 3 . HA 1 1 39 1 2 1 1 6 TRP HB3 . 6 . HB1 1 1 40 1 1 1 1 3 ILE HA . 3 . HA 1 1 40 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 41 1 1 1 1 3 ILE HA . 3 . HA 1 1 41 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1 42 1 1 1 1 3 ILE HA . 3 . HA 1 1 42 1 2 1 1 7 PHE H . 7 . HN 1 1 43 1 1 1 1 3 ILE MD . 3 . HD1# 1 1 43 1 2 1 1 4 LYS H . 4 . HN 1 1 44 1 1 1 1 3 ILE MD . 3 . HD1# 1 1 44 1 2 1 1 4 LYS HA . 4 . HA 1 1 45 1 1 1 1 3 ILE MD . 3 . HD1# 1 1 45 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 46 1 1 1 1 3 ILE MD . 3 . HD1# 1 1 46 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1 47 1 1 1 1 3 ILE MD . 3 . HD1# 1 1 47 1 2 1 1 7 PHE QD . 7 . HD# 1 1 48 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1 48 1 2 1 1 4 LYS H . 4 . HN 1 1 49 1 1 1 1 4 LYS H . 4 . HN 1 1 49 1 2 1 1 4 LYS HB3 . 4 . HB1 1 1 50 1 1 1 1 4 LYS H . 4 . HN 1 1 50 1 2 1 1 4 LYS HD3 . 4 . HD1 1 1 51 1 1 1 1 4 LYS H . 4 . HN 1 1 51 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 52 1 1 1 1 4 LYS H . 4 . HN 1 1 52 1 2 1 1 4 LYS HG3 . 4 . HG1 1 1 53 1 1 1 1 4 LYS H . 4 . HN 1 1 53 1 2 1 1 5 ILE H . 5 . HN 1 1 54 1 1 1 1 4 LYS H . 4 . HN 1 1 54 1 2 1 1 5 ILE HB . 5 . HB 1 1 55 1 1 1 1 4 LYS H . 4 . HN 1 1 55 1 2 1 1 6 TRP H . 6 . HN 1 1 56 1 1 1 1 4 LYS HA . 4 . HA 1 1 56 1 2 1 1 4 LYS HB3 . 4 . HB1 1 1 57 1 1 1 1 4 LYS HA . 4 . HA 1 1 57 1 2 1 1 4 LYS HD3 . 4 . HD1 1 1 58 1 1 1 1 4 LYS HA . 4 . HA 1 1 58 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 59 1 1 1 1 4 LYS HA . 4 . HA 1 1 59 1 2 1 1 4 LYS HG3 . 4 . HG1 1 1 60 1 1 1 1 4 LYS HA . 4 . HA 1 1 60 1 2 1 1 5 ILE H . 5 . HN 1 1 61 1 1 1 1 4 LYS HA . 4 . HA 1 1 61 1 2 1 1 7 PHE HB2 . 7 . HB2 1 1 62 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 62 1 2 1 1 4 LYS HE3 . 4 . HE1 1 1 63 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 63 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 64 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 64 1 2 1 1 5 ILE H . 5 . HN 1 1 65 1 1 1 1 4 LYS HE3 . 4 . HE1 1 1 65 1 2 1 1 4 LYS HG2 . 4 . HG2 1 1 66 1 1 1 1 4 LYS HE3 . 4 . HE1 1 1 66 1 2 1 1 4 LYS HG3 . 4 . HG1 1 1 67 1 1 1 1 4 LYS HG3 . 4 . HG1 1 1 67 1 2 1 1 5 ILE H . 5 . HN 1 1 68 1 1 1 1 5 ILE H . 5 . HN 1 1 68 1 2 1 1 5 ILE HB . 5 . HB 1 1 69 1 1 1 1 5 ILE H . 5 . HN 1 1 69 1 2 1 1 5 ILE MD . 5 . HD1# 1 1 70 1 1 1 1 5 ILE H . 5 . HN 1 1 70 1 2 1 1 5 ILE HG12 . 5 . HG12 1 1 71 1 1 1 1 5 ILE H . 5 . HN 1 1 71 1 2 1 1 5 ILE HG13 . 5 . HG11 1 1 72 1 1 1 1 5 ILE H . 5 . HN 1 1 72 1 2 1 1 6 TRP H . 6 . HN 1 1 73 1 1 1 1 5 ILE H . 5 . HN 1 1 73 1 2 1 1 6 TRP HA . 6 . HA 1 1 74 1 1 1 1 5 ILE H . 5 . HN 1 1 74 1 2 1 1 7 PHE H . 7 . HN 1 1 75 1 1 1 1 5 ILE HA . 5 . HA 1 1 75 1 2 1 1 5 ILE MD . 5 . HD1# 1 1 76 1 1 1 1 5 ILE HB . 5 . HB 1 1 76 1 2 1 1 5 ILE HG13 . 5 . HG11 1 1 77 1 1 1 1 5 ILE HB . 5 . HB 1 1 77 1 2 1 1 5 ILE MG . 5 . HG2# 1 1 78 1 1 1 1 5 ILE HB . 5 . HB 1 1 78 1 2 1 1 6 TRP H . 6 . HN 1 1 79 1 1 1 1 5 ILE MD . 5 . HD1# 1 1 79 1 2 1 1 6 TRP H . 6 . HN 1 1 80 1 1 1 1 6 TRP H . 6 . HN 1 1 80 1 2 1 1 6 TRP HB2 . 6 . HB2 1 1 81 1 1 1 1 6 TRP H . 6 . HN 1 1 81 1 2 1 1 6 TRP HB3 . 6 . HB1 1 1 82 1 1 1 1 6 TRP H . 6 . HN 1 1 82 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 83 1 1 1 1 6 TRP H . 6 . HN 1 1 83 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1 84 1 1 1 1 6 TRP H . 6 . HN 1 1 84 1 2 1 1 8 ARG HB2 . 8 . HB2 1 1 85 1 1 1 1 6 TRP HA . 6 . HA 1 1 85 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 86 1 1 1 1 6 TRP HA . 6 . HA 1 1 86 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1 87 1 1 1 1 6 TRP HA . 6 . HA 1 1 87 1 2 1 1 7 PHE H . 7 . HN 1 1 88 1 1 1 1 6 TRP HA . 6 . HA 1 1 88 1 2 1 1 8 ARG H . 8 . HN 1 1 89 1 1 1 1 6 TRP HA . 6 . HA 1 1 89 1 2 1 1 9 LYS H . 9 . HN 1 1 90 1 1 1 1 6 TRP HA . 6 . HA 1 1 90 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 91 1 1 1 1 6 TRP HA . 6 . HA 1 1 91 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 92 1 1 1 1 6 TRP HA . 6 . HA 1 1 92 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 93 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1 93 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 94 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1 94 1 2 1 1 6 TRP HE3 . 6 . HE3 1 1 95 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1 95 1 2 1 1 7 PHE H . 7 . HN 1 1 96 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1 96 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1 97 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1 97 1 2 1 1 7 PHE H . 7 . HN 1 1 98 1 1 1 1 6 TRP HD1 . 6 . HD1 1 1 98 1 2 1 1 7 PHE H . 7 . HN 1 1 99 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1 99 1 2 1 1 7 PHE H . 7 . HN 1 1 100 1 1 1 1 7 PHE H . 7 . HN 1 1 100 1 2 1 1 7 PHE HB2 . 7 . HB2 1 1 101 1 1 1 1 7 PHE H . 7 . HN 1 1 101 1 2 1 1 7 PHE HB3 . 7 . HB1 1 1 102 1 1 1 1 7 PHE H . 7 . HN 1 1 102 1 2 1 1 7 PHE QD . 7 . HD# 1 1 103 1 1 1 1 7 PHE H . 7 . HN 1 1 103 1 2 1 1 8 ARG H . 8 . HN 1 1 104 1 1 1 1 7 PHE H . 7 . HN 1 1 104 1 2 1 1 8 ARG HB2 . 8 . HB2 1 1 105 1 1 1 1 7 PHE H . 7 . HN 1 1 105 1 2 1 1 8 ARG HB3 . 8 . HB1 1 1 106 1 1 1 1 7 PHE H . 7 . HN 1 1 106 1 2 1 1 9 LYS H . 9 . HN 1 1 107 1 1 1 1 7 PHE HA . 7 . HA 1 1 107 1 2 1 1 7 PHE HB2 . 7 . HB2 1 1 108 1 1 1 1 7 PHE HA . 7 . HA 1 1 108 1 2 1 1 8 ARG H . 8 . HN 1 1 109 1 1 1 1 7 PHE HA . 7 . HA 1 1 109 1 2 1 1 9 LYS H . 9 . HN 1 1 110 1 1 1 1 7 PHE QD . 7 . HD# 1 1 110 1 2 1 1 8 ARG H . 8 . HN 1 1 111 1 1 1 1 7 PHE QD . 7 . HD# 1 1 111 1 2 1 1 8 ARG HB2 . 8 . HB2 1 1 112 1 1 1 1 8 ARG H . 8 . HN 1 1 112 1 2 1 1 8 ARG HB2 . 8 . HB2 1 1 113 1 1 1 1 8 ARG H . 8 . HN 1 1 113 1 2 1 1 8 ARG HB3 . 8 . HB1 1 1 114 1 1 1 1 8 ARG H . 8 . HN 1 1 114 1 2 1 1 8 ARG HD2 . 8 . HD2 1 1 115 1 1 1 1 8 ARG H . 8 . HN 1 1 115 1 2 1 1 8 ARG HD3 . 8 . HD1 1 1 116 1 1 1 1 8 ARG HA . 8 . HA 1 1 116 1 2 1 1 8 ARG HB2 . 8 . HB2 1 1 117 1 1 1 1 8 ARG HA . 8 . HA 1 1 117 1 2 1 1 8 ARG HD2 . 8 . HD2 1 1 118 1 1 1 1 8 ARG HA . 8 . HA 1 1 118 1 2 1 1 8 ARG HD3 . 8 . HD1 1 1 119 1 1 1 1 8 ARG HA . 8 . HA 1 1 119 1 2 1 1 8 ARG HE . 8 . HE 1 1 120 1 1 1 1 8 ARG HB2 . 8 . HB2 1 1 120 1 2 1 1 8 ARG HD2 . 8 . HD2 1 1 121 1 1 1 1 8 ARG HB2 . 8 . HB2 1 1 121 1 2 1 1 8 ARG HD3 . 8 . HD1 1 1 122 1 1 1 1 8 ARG HB2 . 8 . HB2 1 1 122 1 2 1 1 8 ARG HE . 8 . HE 1 1 123 1 1 1 1 8 ARG HB2 . 8 . HB2 1 1 123 1 2 1 1 9 LYS H . 9 . HN 1 1 124 1 1 1 1 8 ARG HB3 . 8 . HB1 1 1 124 1 2 1 1 8 ARG HD3 . 8 . HD1 1 1 125 1 1 1 1 8 ARG HB3 . 8 . HB1 1 1 125 1 2 1 1 8 ARG HE . 8 . HE 1 1 126 1 1 1 1 8 ARG HB3 . 8 . HB1 1 1 126 1 2 1 1 8 ARG HG3 . 8 . HG1 1 1 127 1 1 1 1 8 ARG HB3 . 8 . HB1 1 1 127 1 2 1 1 9 LYS H . 9 . HN 1 1 128 1 1 1 1 8 ARG HD2 . 8 . HD2 1 1 128 1 2 1 1 8 ARG HG3 . 8 . HG1 1 1 129 1 1 1 1 8 ARG HE . 8 . HE 1 1 129 1 2 1 1 8 ARG HG3 . 8 . HG1 1 1 130 1 1 1 1 9 LYS H . 9 . HN 1 1 130 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 131 1 1 1 1 9 LYS H . 9 . HN 1 1 131 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 132 1 1 1 1 9 LYS H . 9 . HN 1 1 132 1 2 1 1 9 LYS HD3 . 9 . HD1 1 1 133 1 1 1 1 9 LYS H . 9 . HN 1 1 133 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 134 1 1 1 1 9 LYS H . 9 . HN 1 1 134 1 2 1 1 9 LYS HG3 . 9 . HG1 1 1 135 1 1 1 1 9 LYS H . 9 . HN 1 1 135 1 2 1 1 10 TRP HB2 . 10 . HB2 1 1 136 1 1 1 1 9 LYS HA . 9 . HA 1 1 136 1 2 1 1 9 LYS HD3 . 9 . HD1 1 1 137 1 1 1 1 9 LYS HA . 9 . HA 1 1 137 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 138 1 1 1 1 9 LYS HB2 . 9 . HB2 1 1 138 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 139 1 1 1 1 9 LYS HB2 . 9 . HB2 1 1 139 1 2 1 1 10 TRP H . 10 . HN 1 1 140 1 1 1 1 9 LYS HB2 . 9 . HB2 1 1 140 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 141 1 1 1 1 9 LYS HB3 . 9 . HB1 1 1 141 1 2 1 1 10 TRP H . 10 . HN 1 1 142 1 1 1 1 9 LYS HD3 . 9 . HD1 1 1 142 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 143 1 1 1 1 9 LYS HD3 . 9 . HD1 1 1 143 1 2 1 1 10 TRP H . 10 . HN 1 1 144 1 1 1 1 9 LYS HE3 . 9 . HE1 1 1 144 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 145 1 1 1 1 9 LYS HE3 . 9 . HE1 1 1 145 1 2 1 1 9 LYS HG3 . 9 . HG1 1 1 146 1 1 1 1 9 LYS HG2 . 9 . HG2 1 1 146 1 2 1 1 10 TRP H . 10 . HN 1 1 147 1 1 1 1 9 LYS HG3 . 9 . HG1 1 1 147 1 2 1 1 10 TRP H . 10 . HN 1 1 148 1 1 1 1 10 TRP H . 10 . HN 1 1 148 1 2 1 1 10 TRP HB2 . 10 . HB2 1 1 149 1 1 1 1 10 TRP H . 10 . HN 1 1 149 1 2 1 1 10 TRP HB3 . 10 . HB1 1 1 150 1 1 1 1 10 TRP H . 10 . HN 1 1 150 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 151 1 1 1 1 10 TRP H . 10 . HN 1 1 151 1 2 1 1 10 TRP HE3 . 10 . HE3 1 1 152 1 1 1 1 10 TRP H . 10 . HN 1 1 152 1 2 1 1 11 LYS H . 11 . HN 1 1 153 1 1 1 1 10 TRP H . 10 . HN 1 1 153 1 2 1 1 12 LYS H . 12 . HN 1 1 154 1 1 1 1 10 TRP HA . 10 . HA 1 1 154 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 155 1 1 1 1 10 TRP HA . 10 . HA 1 1 155 1 2 1 1 10 TRP HE3 . 10 . HE3 1 1 156 1 1 1 1 10 TRP HA . 10 . HA 1 1 156 1 2 1 1 11 LYS H . 11 . HN 1 1 157 1 1 1 1 10 TRP HB2 . 10 . HB2 1 1 157 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 158 1 1 1 1 10 TRP HB2 . 10 . HB2 1 1 158 1 2 1 1 11 LYS H . 11 . HN 1 1 159 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1 159 1 2 1 1 10 TRP HD1 . 10 . HD1 1 1 160 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1 160 1 2 1 1 10 TRP HE3 . 10 . HE3 1 1 161 1 1 1 1 10 TRP HB3 . 10 . HB1 1 1 161 1 2 1 1 11 LYS H . 11 . HN 1 1 162 1 1 1 1 10 TRP HD1 . 10 . HD1 1 1 162 1 2 1 1 11 LYS H . 11 . HN 1 1 163 1 1 1 1 10 TRP HD1 . 10 . HD1 1 1 163 1 2 1 1 12 LYS HA . 12 . HA 1 1 164 1 1 1 1 10 TRP HH2 . 10 . HH2 1 1 164 1 2 1 1 10 TRP HZ3 . 10 . HZ3 1 1 165 1 1 1 1 11 LYS H . 11 . HN 1 1 165 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 166 1 1 1 1 11 LYS H . 11 . HN 1 1 166 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 167 1 1 1 1 11 LYS H . 11 . HN 1 1 167 1 2 1 1 11 LYS HG2 . 11 . HG2 1 1 168 1 1 1 1 11 LYS H . 11 . HN 1 1 168 1 2 1 1 12 LYS H . 12 . HN 1 1 169 1 1 1 1 11 LYS H . 11 . HN 1 1 169 1 2 1 1 12 LYS HA . 12 . HA 1 1 170 1 1 1 1 11 LYS HA . 11 . HA 1 1 170 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 171 1 1 1 1 11 LYS HA . 11 . HA 1 1 171 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 172 1 1 1 1 11 LYS HA . 11 . HA 1 1 172 1 2 1 1 11 LYS HE3 . 11 . HE1 1 1 173 1 1 1 1 11 LYS HA . 11 . HA 1 1 173 1 2 1 1 11 LYS HG2 . 11 . HG2 1 1 174 1 1 1 1 11 LYS HB3 . 11 . HB1 1 1 174 1 2 1 1 11 LYS HD3 . 11 . HD1 1 1 175 1 1 1 1 12 LYS H . 12 . HN 1 1 175 1 2 1 1 12 LYS HB3 . 12 . HB1 1 1 176 1 1 1 1 12 LYS H . 12 . HN 1 1 176 1 2 1 1 12 LYS HD3 . 12 . HD1 1 1 177 1 1 1 1 12 LYS H . 12 . HN 1 1 177 1 2 1 1 12 LYS HG3 . 12 . HG1 1 1 178 1 1 1 1 12 LYS HA . 12 . HA 1 1 178 1 2 1 1 12 LYS HB3 . 12 . HB1 1 1 179 1 1 1 1 12 LYS HA . 12 . HA 1 1 179 1 2 1 1 12 LYS HD3 . 12 . HD1 1 1 180 1 1 1 1 12 LYS HB3 . 12 . HB1 1 1 180 1 2 1 1 12 LYS HE3 . 12 . HE1 1 1 181 1 1 1 1 12 LYS HE3 . 12 . HE1 1 1 181 1 2 1 1 12 LYS HG3 . 12 . HG1 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 . . . . . 1.8 1.8 5.0 1 1 2 1 . . . . . 1.8 1.8 3.5 1 1 3 1 . . . . . 1.8 1.8 5.0 1 1 4 1 . . . . . 1.8 1.8 3.5 1 1 5 1 . . . . . 1.8 1.8 5.0 1 1 6 1 . . . . . 1.8 1.8 2.5 1 1 7 1 . . . . . 1.8 1.8 2.5 1 1 8 1 . . . . . 1.8 1.8 3.5 1 1 9 1 . . . . . 1.8 1.8 3.5 1 1 10 1 . . . . . 1.8 1.8 3.5 1 1 11 1 . . . . . 1.8 1.8 5.0 1 1 12 1 . . . . . 1.8 1.8 5.0 1 1 13 1 . . . . . 1.8 1.8 5.0 1 1 14 1 . . . . . 1.8 1.8 5.0 1 1 15 1 . . . . . 1.8 1.8 3.5 1 1 16 1 . . . . . 1.8 1.8 3.5 1 1 17 1 . . . . . 1.8 1.8 3.5 1 1 18 1 . . . . . 1.8 1.8 5.0 1 1 19 1 . . . . . 1.8 1.8 5.0 1 1 20 1 . . . . . 1.8 1.8 3.5 1 1 21 1 . . . . . 1.8 1.8 2.5 1 1 22 1 . . . . . 1.8 1.8 2.5 1 1 23 1 . . . . . 1.8 1.8 3.5 1 1 24 1 . . . . . 1.8 1.8 3.5 1 1 25 1 . . . . . 1.8 1.8 3.5 1 1 26 1 . . . . . 1.8 1.8 5.0 1 1 27 1 . . . . . 1.8 1.8 5.0 1 1 28 1 . . . . . 1.8 1.8 2.5 1 1 29 1 . . . . . 1.8 1.8 2.5 1 1 30 1 . . . . . 1.8 1.8 5.0 1 1 31 1 . . . . . 1.8 1.8 3.5 1 1 32 1 . . . . . 1.8 1.8 5.0 1 1 33 1 . . . . . 1.8 1.8 2.5 1 1 34 1 . . . . . 1.8 1.8 5.0 1 1 35 1 . . . . . 1.8 1.8 3.5 1 1 36 1 . . . . . 1.8 1.8 3.5 1 1 37 1 . . . . . 1.8 1.8 3.5 1 1 38 1 . . . . . 1.8 1.8 3.5 1 1 39 1 . . . . . 1.8 1.8 3.5 1 1 40 1 . . . . . 1.8 1.8 5.0 1 1 41 1 . . . . . 1.8 1.8 3.5 1 1 42 1 . . . . . 1.8 1.8 5.0 1 1 43 1 . . . . . 1.8 1.8 5.0 1 1 44 1 . . . . . 1.8 1.8 5.0 1 1 45 1 . . . . . 1.8 1.8 5.0 1 1 46 1 . . . . . 1.8 1.8 5.0 1 1 47 1 . . . . . 1.8 1.8 5.0 1 1 48 1 . . . . . 1.8 1.8 5.0 1 1 49 1 . . . . . 1.8 1.8 3.5 1 1 50 1 . . . . . 1.8 1.8 5.0 1 1 51 1 . . . . . 1.8 1.8 3.5 1 1 52 1 . . . . . 1.8 1.8 3.5 1 1 53 1 . . . . . 1.8 1.8 2.5 1 1 54 1 . . . . . 1.8 1.8 5.0 1 1 55 1 . . . . . 1.8 1.8 3.5 1 1 56 1 . . . . . 1.8 1.8 2.5 1 1 57 1 . . . . . 1.8 1.8 5.0 1 1 58 1 . . . . . 1.8 1.8 3.5 1 1 59 1 . . . . . 1.8 1.8 3.5 1 1 60 1 . . . . . 1.8 1.8 3.5 1 1 61 1 . . . . . 1.8 1.8 3.5 1 1 62 1 . . . . . 1.8 1.8 5.0 1 1 63 1 . . . . . 1.8 1.8 2.5 1 1 64 1 . . . . . 1.8 1.8 3.5 1 1 65 1 . . . . . 1.8 1.8 3.5 1 1 66 1 . . . . . 1.8 1.8 3.5 1 1 67 1 . . . . . 1.8 1.8 5.0 1 1 68 1 . . . . . 1.8 1.8 2.5 1 1 69 1 . . . . . 1.8 1.8 5.0 1 1 70 1 . . . . . 1.8 1.8 3.5 1 1 71 1 . . . . . 1.8 1.8 3.5 1 1 72 1 . . . . . 1.8 1.8 2.5 1 1 73 1 . . . . . 1.8 1.8 5.0 1 1 74 1 . . . . . 1.8 1.8 5.0 1 1 75 1 . . . . . 1.8 1.8 5.0 1 1 76 1 . . . . . 1.8 1.8 2.5 1 1 77 1 . . . . . 1.8 1.8 2.5 1 1 78 1 . . . . . 1.8 1.8 3.5 1 1 79 1 . . . . . 1.8 1.8 5.0 1 1 80 1 . . . . . 1.8 1.8 3.5 1 1 81 1 . . . . . 1.8 1.8 3.5 1 1 82 1 . . . . . 1.8 1.8 5.0 1 1 83 1 . . . . . 1.8 1.8 3.5 1 1 84 1 . . . . . 1.8 1.8 5.0 1 1 85 1 . . . . . 1.8 1.8 3.5 1 1 86 1 . . . . . 1.8 1.8 5.0 1 1 87 1 . . . . . 1.8 1.8 3.5 1 1 88 1 . . . . . 1.8 1.8 3.5 1 1 89 1 . . . . . 1.8 1.8 3.5 1 1 90 1 . . . . . 1.8 1.8 3.5 1 1 91 1 . . . . . 1.8 1.8 5.0 1 1 92 1 . . . . . 1.8 1.8 5.0 1 1 93 1 . . . . . 1.8 1.8 3.5 1 1 94 1 . . . . . 1.8 1.8 3.5 1 1 95 1 . . . . . 1.8 1.8 3.5 1 1 96 1 . . . . . 1.8 1.8 3.5 1 1 97 1 . . . . . 1.8 1.8 3.5 1 1 98 1 . . . . . 1.8 1.8 5.0 1 1 99 1 . . . . . 1.8 1.8 3.5 1 1 100 1 . . . . . 1.8 1.8 2.5 1 1 101 1 . . . . . 1.8 1.8 2.5 1 1 102 1 . . . . . 1.8 1.8 5.0 1 1 103 1 . . . . . 1.8 1.8 3.5 1 1 104 1 . . . . . 1.8 1.8 5.0 1 1 105 1 . . . . . 1.8 1.8 5.0 1 1 106 1 . . . . . 1.8 1.8 5.0 1 1 107 1 . . . . . 1.8 1.8 2.5 1 1 108 1 . . . . . 1.8 1.8 3.5 1 1 109 1 . . . . . 1.8 1.8 5.0 1 1 110 1 . . . . . 1.8 1.8 5.0 1 1 111 1 . . . . . 1.8 1.8 5.0 1 1 112 1 . . . . . 1.8 1.8 2.5 1 1 113 1 . . . . . 1.8 1.8 2.5 1 1 114 1 . . . . . 1.8 1.8 5.0 1 1 115 1 . . . . . 1.8 1.8 3.5 1 1 116 1 . . . . . 1.8 1.8 2.5 1 1 117 1 . . . . . 1.8 1.8 3.5 1 1 118 1 . . . . . 1.8 1.8 3.5 1 1 119 1 . . . . . 1.8 1.8 5.0 1 1 120 1 . . . . . 1.8 1.8 3.5 1 1 121 1 . . . . . 1.8 1.8 2.5 1 1 122 1 . . . . . 1.8 1.8 3.5 1 1 123 1 . . . . . 1.8 1.8 5.0 1 1 124 1 . . . . . 1.8 1.8 3.5 1 1 125 1 . . . . . 1.8 1.8 5.0 1 1 126 1 . . . . . 1.8 1.8 2.5 1 1 127 1 . . . . . 1.8 1.8 3.5 1 1 128 1 . . . . . 1.8 1.8 2.5 1 1 129 1 . . . . . 1.8 1.8 3.5 1 1 130 1 . . . . . 1.8 1.8 3.5 1 1 131 1 . . . . . 1.8 1.8 3.5 1 1 132 1 . . . . . 1.8 1.8 5.0 1 1 133 1 . . . . . 1.8 1.8 3.5 1 1 134 1 . . . . . 1.8 1.8 5.0 1 1 135 1 . . . . . 1.8 1.8 5.0 1 1 136 1 . . . . . 1.8 1.8 3.5 1 1 137 1 . . . . . 1.8 1.8 3.5 1 1 138 1 . . . . . 1.8 1.8 2.5 1 1 139 1 . . . . . 1.8 1.8 3.5 1 1 140 1 . . . . . 1.8 1.8 5.0 1 1 141 1 . . . . . 1.8 1.8 3.5 1 1 142 1 . . . . . 1.8 1.8 2.5 1 1 143 1 . . . . . 1.8 1.8 5.0 1 1 144 1 . . . . . 1.8 1.8 3.5 1 1 145 1 . . . . . 1.8 1.8 3.5 1 1 146 1 . . . . . 1.8 1.8 5.0 1 1 147 1 . . . . . 1.8 1.8 5.0 1 1 148 1 . . . . . 1.8 1.8 2.5 1 1 149 1 . . . . . 1.8 1.8 3.5 1 1 150 1 . . . . . 1.8 1.8 3.5 1 1 151 1 . . . . . 1.8 1.8 3.5 1 1 152 1 . . . . . 1.8 1.8 3.5 1 1 153 1 . . . . . 1.8 1.8 5.0 1 1 154 1 . . . . . 1.8 1.8 5.0 1 1 155 1 . . . . . 1.8 1.8 3.5 1 1 156 1 . . . . . 1.8 1.8 3.5 1 1 157 1 . . . . . 1.8 1.8 3.5 1 1 158 1 . . . . . 1.8 1.8 3.5 1 1 159 1 . . . . . 1.8 1.8 3.5 1 1 160 1 . . . . . 1.8 1.8 3.5 1 1 161 1 . . . . . 1.8 1.8 3.5 1 1 162 1 . . . . . 1.8 1.8 5.0 1 1 163 1 . . . . . 1.8 1.8 5.0 1 1 164 1 . . . . . 1.8 1.8 2.5 1 1 165 1 . . . . . 1.8 1.8 3.5 1 1 166 1 . . . . . 1.8 1.8 3.5 1 1 167 1 . . . . . 1.8 1.8 3.5 1 1 168 1 . . . . . 1.8 1.8 3.5 1 1 169 1 . . . . . 1.8 1.8 3.5 1 1 170 1 . . . . . 1.8 1.8 2.5 1 1 171 1 . . . . . 1.8 1.8 3.5 1 1 172 1 . . . . . 1.8 1.8 5.0 1 1 173 1 . . . . . 1.8 1.8 3.5 1 1 174 1 . . . . . 1.8 1.8 2.5 1 1 175 1 . . . . . 1.8 1.8 3.5 1 1 176 1 . . . . . 1.8 1.8 3.5 1 1 177 1 . . . . . 1.8 1.8 3.5 1 1 178 1 . . . . . 1.8 1.8 2.5 1 1 179 1 . . . . . 1.8 1.8 3.5 1 1 180 1 . . . . . 1.8 1.8 5.5 1 1 181 1 . . . . . 1.8 1.8 3.5 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 ARG C C 2.185 7.781 -3.032 1.00 . A A . 1 ARG C 1 1 1 2 1 1 1 ARG CA C 2.876 7.997 -4.381 1.00 . A A . 1 ARG CA 1 1 1 3 1 1 1 ARG CB C 2.736 9.452 -4.830 1.00 . A A . 1 ARG CB 1 1 1 4 1 1 1 ARG CD C 5.123 10.089 -4.563 1.00 . A A . 1 ARG CD 1 1 1 5 1 1 1 ARG CG C 3.711 10.328 -4.047 1.00 . A A . 1 ARG CG 1 1 1 6 1 1 1 ARG CZ C 6.364 11.037 -6.414 1.00 . A A . 1 ARG CZ 1 1 1 7 1 1 1 ARG H1 H 2.032 6.232 -5.096 1.00 . A A . 1 ARG H1 1 1 1 8 1 1 1 ARG H2 H 2.804 7.162 -6.289 1.00 . A A . 1 ARG H2 1 1 1 9 1 1 1 ARG H3 H 1.289 7.637 -5.683 1.00 . A A . 1 ARG H3 1 1 1 10 1 1 1 ARG HA H 3.919 7.730 -4.316 1.00 . A A . 1 ARG HA 1 1 1 11 1 1 1 ARG HB2 H 2.952 9.528 -5.886 1.00 . A A . 1 ARG HB2 1 1 1 12 1 1 1 ARG HB3 H 1.734 9.789 -4.644 1.00 . A A . 1 ARG HB3 1 1 1 13 1 1 1 ARG HD2 H 5.851 10.451 -3.850 1.00 . A A . 1 ARG HD2 1 1 1 14 1 1 1 ARG HD3 H 5.267 9.040 -4.750 1.00 . A A . 1 ARG HD3 1 1 1 15 1 1 1 ARG HE H 4.394 11.219 -6.244 1.00 . A A . 1 ARG HE 1 1 1 16 1 1 1 ARG HG2 H 3.448 11.368 -4.176 1.00 . A A . 1 ARG HG2 1 1 1 17 1 1 1 ARG HG3 H 3.663 10.069 -3.005 1.00 . A A . 1 ARG HG3 1 1 1 18 1 1 1 ARG HH11 H 6.843 9.094 -6.418 1.00 . A A . 1 ARG HH11 1 1 1 19 1 1 1 ARG HH12 H 8.023 10.158 -7.107 1.00 . A A . 1 ARG HH12 1 1 1 20 1 1 1 ARG HH21 H 6.154 13.024 -6.547 1.00 . A A . 1 ARG HH21 1 1 1 21 1 1 1 ARG HH22 H 7.633 12.383 -7.179 1.00 . A A . 1 ARG HH22 1 1 1 22 1 1 1 ARG N N 2.199 7.197 -5.442 1.00 . A A . 1 ARG N 1 1 1 23 1 1 1 ARG NE N 5.207 10.854 -5.838 1.00 . A A . 1 ARG NE 1 1 1 24 1 1 1 ARG NH1 N 7.137 10.017 -6.666 1.00 . A A . 1 ARG NH1 1 1 1 25 1 1 1 ARG NH2 N 6.747 12.242 -6.739 1.00 . A A . 1 ARG NH2 1 1 1 26 1 1 1 ARG O O 2.802 7.860 -1.988 1.00 . A A . 1 ARG O 1 1 1 27 1 1 2 GLN C C 0.750 6.076 -1.031 1.00 . A A . 2 GLN C 1 1 1 28 1 1 2 GLN CA C 0.175 7.286 -1.765 1.00 . A A . 2 GLN CA 1 1 1 29 1 1 2 GLN CB C -1.273 7.024 -2.174 1.00 . A A . 2 GLN CB 1 1 1 30 1 1 2 GLN CD C -1.429 9.086 -3.572 1.00 . A A . 2 GLN CD 1 1 1 31 1 1 2 GLN CG C -1.995 8.357 -2.353 1.00 . A A . 2 GLN CG 1 1 1 32 1 1 2 GLN H H 0.430 7.450 -3.902 1.00 . A A . 2 GLN H 1 1 1 33 1 1 2 GLN HA H 0.228 8.162 -1.144 1.00 . A A . 2 GLN HA 1 1 1 34 1 1 2 GLN HB2 H -1.291 6.474 -3.105 1.00 . A A . 2 GLN HB2 1 1 1 35 1 1 2 GLN HB3 H -1.766 6.452 -1.403 1.00 . A A . 2 GLN HB3 1 1 1 36 1 1 2 GLN HE21 H -1.129 10.785 -2.585 1.00 . A A . 2 GLN HE21 1 1 1 37 1 1 2 GLN HE22 H -0.682 10.805 -4.231 1.00 . A A . 2 GLN HE22 1 1 1 38 1 1 2 GLN HG2 H -3.048 8.174 -2.498 1.00 . A A . 2 GLN HG2 1 1 1 39 1 1 2 GLN HG3 H -1.851 8.966 -1.472 1.00 . A A . 2 GLN HG3 1 1 1 40 1 1 2 GLN N N 0.907 7.508 -3.047 1.00 . A A . 2 GLN N 1 1 1 41 1 1 2 GLN NE2 N -1.048 10.328 -3.452 1.00 . A A . 2 GLN NE2 1 1 1 42 1 1 2 GLN O O 0.954 6.106 0.163 1.00 . A A . 2 GLN O 1 1 1 43 1 1 2 GLN OE1 O -1.330 8.520 -4.641 1.00 . A A . 2 GLN OE1 1 1 1 44 1 1 3 ILE C C 1.026 3.468 0.236 1.00 . A A . 3 ILE C 1 1 1 45 1 1 3 ILE CA C 1.618 3.805 -1.147 1.00 . A A . 3 ILE CA 1 1 1 46 1 1 3 ILE CB C 3.111 4.116 -1.103 1.00 . A A . 3 ILE CB 1 1 1 47 1 1 3 ILE CD1 C 3.511 1.821 -0.250 1.00 . A A . 3 ILE CD1 1 1 1 48 1 1 3 ILE CG1 C 3.860 2.821 -1.353 1.00 . A A . 3 ILE CG1 1 1 1 49 1 1 3 ILE CG2 C 3.537 4.733 0.239 1.00 . A A . 3 ILE CG2 1 1 1 50 1 1 3 ILE H H 0.886 5.043 -2.711 1.00 . A A . 3 ILE H 1 1 1 51 1 1 3 ILE HA H 1.462 2.969 -1.815 1.00 . A A . 3 ILE HA 1 1 1 52 1 1 3 ILE HB H 3.332 4.807 -1.898 1.00 . A A . 3 ILE HB 1 1 1 53 1 1 3 ILE HD11 H 4.112 0.937 -0.358 1.00 . A A . 3 ILE HD11 1 1 1 54 1 1 3 ILE HD12 H 2.464 1.559 -0.324 1.00 . A A . 3 ILE HD12 1 1 1 55 1 1 3 ILE HD13 H 3.699 2.274 0.713 1.00 . A A . 3 ILE HD13 1 1 1 56 1 1 3 ILE HG12 H 3.546 2.430 -2.313 1.00 . A A . 3 ILE HG12 1 1 1 57 1 1 3 ILE HG13 H 4.925 3.005 -1.357 1.00 . A A . 3 ILE HG13 1 1 1 58 1 1 3 ILE HG21 H 4.024 3.982 0.842 1.00 . A A . 3 ILE HG21 1 1 1 59 1 1 3 ILE HG22 H 2.671 5.106 0.760 1.00 . A A . 3 ILE HG22 1 1 1 60 1 1 3 ILE HG23 H 4.224 5.546 0.057 1.00 . A A . 3 ILE HG23 1 1 1 61 1 1 3 ILE N N 1.033 5.024 -1.751 1.00 . A A . 3 ILE N 1 1 1 62 1 1 3 ILE O O 1.724 3.057 1.141 1.00 . A A . 3 ILE O 1 1 1 63 1 1 4 LYS C C -1.838 2.096 1.495 1.00 . A A . 4 LYS C 1 1 1 64 1 1 4 LYS CA C -0.875 3.261 1.701 1.00 . A A . 4 LYS CA 1 1 1 65 1 1 4 LYS CB C -1.591 4.527 2.140 1.00 . A A . 4 LYS CB 1 1 1 66 1 1 4 LYS CD C -0.778 6.295 3.715 1.00 . A A . 4 LYS CD 1 1 1 67 1 1 4 LYS CE C 0.483 6.168 4.572 1.00 . A A . 4 LYS CE 1 1 1 68 1 1 4 LYS CG C -0.552 5.618 2.358 1.00 . A A . 4 LYS CG 1 1 1 69 1 1 4 LYS H H -0.817 3.922 -0.335 1.00 . A A . 4 LYS H 1 1 1 70 1 1 4 LYS HA H -0.114 2.994 2.417 1.00 . A A . 4 LYS HA 1 1 1 71 1 1 4 LYS HB2 H -2.294 4.834 1.381 1.00 . A A . 4 LYS HB2 1 1 1 72 1 1 4 LYS HB3 H -2.101 4.342 3.055 1.00 . A A . 4 LYS HB3 1 1 1 73 1 1 4 LYS HD2 H -1.004 7.340 3.560 1.00 . A A . 4 LYS HD2 1 1 1 74 1 1 4 LYS HD3 H -1.606 5.822 4.224 1.00 . A A . 4 LYS HD3 1 1 1 75 1 1 4 LYS HE2 H 0.403 5.315 5.231 1.00 . A A . 4 LYS HE2 1 1 1 76 1 1 4 LYS HE3 H 1.357 6.082 3.946 1.00 . A A . 4 LYS HE3 1 1 1 77 1 1 4 LYS HG2 H 0.429 5.164 2.337 1.00 . A A . 4 LYS HG2 1 1 1 78 1 1 4 LYS HG3 H -0.629 6.352 1.573 1.00 . A A . 4 LYS HG3 1 1 1 79 1 1 4 LYS HZ1 H -0.250 7.458 6.032 1.00 . A A . 4 LYS HZ1 1 1 1 80 1 1 4 LYS HZ2 H 0.476 8.245 4.713 1.00 . A A . 4 LYS HZ2 1 1 1 81 1 1 4 LYS HZ3 H 1.439 7.475 5.882 1.00 . A A . 4 LYS HZ3 1 1 1 82 1 1 4 LYS N N -0.256 3.607 0.399 1.00 . A A . 4 LYS N 1 1 1 83 1 1 4 LYS NZ N 0.541 7.432 5.360 1.00 . A A . 4 LYS NZ 1 1 1 84 1 1 4 LYS O O -1.814 1.120 2.219 1.00 . A A . 4 LYS O 1 1 1 85 1 1 5 ILE C C -2.697 -0.095 -0.383 1.00 . A A . 5 ILE C 1 1 1 86 1 1 5 ILE CA C -3.560 1.034 0.173 1.00 . A A . 5 ILE CA 1 1 1 87 1 1 5 ILE CB C -4.519 1.555 -0.899 1.00 . A A . 5 ILE CB 1 1 1 88 1 1 5 ILE CD1 C -5.699 3.636 -1.590 1.00 . A A . 5 ILE CD1 1 1 1 89 1 1 5 ILE CG1 C -5.226 2.811 -0.395 1.00 . A A . 5 ILE CG1 1 1 1 90 1 1 5 ILE CG2 C -5.558 0.483 -1.226 1.00 . A A . 5 ILE CG2 1 1 1 91 1 1 5 ILE H H -2.608 2.941 -0.122 1.00 . A A . 5 ILE H 1 1 1 92 1 1 5 ILE HA H -4.097 0.721 1.054 1.00 . A A . 5 ILE HA 1 1 1 93 1 1 5 ILE HB H -3.960 1.797 -1.788 1.00 . A A . 5 ILE HB 1 1 1 94 1 1 5 ILE HD11 H -6.603 3.203 -1.991 1.00 . A A . 5 ILE HD11 1 1 1 95 1 1 5 ILE HD12 H -4.932 3.636 -2.352 1.00 . A A . 5 ILE HD12 1 1 1 96 1 1 5 ILE HD13 H -5.893 4.649 -1.275 1.00 . A A . 5 ILE HD13 1 1 1 97 1 1 5 ILE HG12 H -6.074 2.530 0.213 1.00 . A A . 5 ILE HG12 1 1 1 98 1 1 5 ILE HG13 H -4.538 3.395 0.190 1.00 . A A . 5 ILE HG13 1 1 1 99 1 1 5 ILE HG21 H -5.853 0.571 -2.261 1.00 . A A . 5 ILE HG21 1 1 1 100 1 1 5 ILE HG22 H -6.424 0.615 -0.593 1.00 . A A . 5 ILE HG22 1 1 1 101 1 1 5 ILE HG23 H -5.133 -0.495 -1.054 1.00 . A A . 5 ILE HG23 1 1 1 102 1 1 5 ILE N N -2.643 2.166 0.473 1.00 . A A . 5 ILE N 1 1 1 103 1 1 5 ILE O O -2.927 -1.264 -0.144 1.00 . A A . 5 ILE O 1 1 1 104 1 1 6 TRP C C -0.041 -1.437 -0.544 1.00 . A A . 6 TRP C 1 1 1 105 1 1 6 TRP CA C -0.723 -0.707 -1.676 1.00 . A A . 6 TRP CA 1 1 1 106 1 1 6 TRP CB C 0.315 0.137 -2.413 1.00 . A A . 6 TRP CB 1 1 1 107 1 1 6 TRP CD1 C -0.240 0.203 -4.820 1.00 . A A . 6 TRP CD1 1 1 1 108 1 1 6 TRP CD2 C -1.016 1.995 -3.742 1.00 . A A . 6 TRP CD2 1 1 1 109 1 1 6 TRP CE2 C -1.398 2.145 -5.094 1.00 . A A . 6 TRP CE2 1 1 1 110 1 1 6 TRP CE3 C -1.379 2.996 -2.831 1.00 . A A . 6 TRP CE3 1 1 1 111 1 1 6 TRP CG C -0.291 0.748 -3.611 1.00 . A A . 6 TRP CG 1 1 1 112 1 1 6 TRP CH2 C -2.476 4.243 -4.613 1.00 . A A . 6 TRP CH2 1 1 1 113 1 1 6 TRP CZ2 C -2.118 3.250 -5.529 1.00 . A A . 6 TRP CZ2 1 1 1 114 1 1 6 TRP CZ3 C -2.105 4.116 -3.264 1.00 . A A . 6 TRP CZ3 1 1 1 115 1 1 6 TRP H H -1.518 1.236 -1.244 1.00 . A A . 6 TRP H 1 1 1 116 1 1 6 TRP HA H -1.218 -1.386 -2.336 1.00 . A A . 6 TRP HA 1 1 1 117 1 1 6 TRP HB2 H 0.671 0.916 -1.765 1.00 . A A . 6 TRP HB2 1 1 1 118 1 1 6 TRP HB3 H 1.145 -0.487 -2.710 1.00 . A A . 6 TRP HB3 1 1 1 119 1 1 6 TRP HD1 H 0.237 -0.721 -5.040 1.00 . A A . 6 TRP HD1 1 1 1 120 1 1 6 TRP HE1 H -1.008 0.840 -6.669 1.00 . A A . 6 TRP HE1 1 1 1 121 1 1 6 TRP HE3 H -1.090 2.900 -1.791 1.00 . A A . 6 TRP HE3 1 1 1 122 1 1 6 TRP HH2 H -3.035 5.106 -4.942 1.00 . A A . 6 TRP HH2 1 1 1 123 1 1 6 TRP HZ2 H -2.397 3.338 -6.568 1.00 . A A . 6 TRP HZ2 1 1 1 124 1 1 6 TRP HZ3 H -2.384 4.883 -2.557 1.00 . A A . 6 TRP HZ3 1 1 1 125 1 1 6 TRP N N -1.674 0.282 -1.101 1.00 . A A . 6 TRP N 1 1 1 126 1 1 6 TRP NE1 N -0.899 1.019 -5.714 1.00 . A A . 6 TRP NE1 1 1 1 127 1 1 6 TRP O O -0.099 -2.643 -0.416 1.00 . A A . 6 TRP O 1 1 1 128 1 1 7 PHE C C 0.323 -2.177 2.227 1.00 . A A . 7 PHE C 1 1 1 129 1 1 7 PHE CA C 1.284 -1.250 1.477 1.00 . A A . 7 PHE CA 1 1 1 130 1 1 7 PHE CB C 1.635 -0.033 2.340 1.00 . A A . 7 PHE CB 1 1 1 131 1 1 7 PHE CD1 C 3.489 -0.800 3.865 1.00 . A A . 7 PHE CD1 1 1 1 132 1 1 7 PHE CD2 C 1.245 -0.607 4.764 1.00 . A A . 7 PHE CD2 1 1 1 133 1 1 7 PHE CE1 C 3.953 -1.225 5.115 1.00 . A A . 7 PHE CE1 1 1 1 134 1 1 7 PHE CE2 C 1.710 -1.031 6.014 1.00 . A A . 7 PHE CE2 1 1 1 135 1 1 7 PHE CG C 2.136 -0.491 3.689 1.00 . A A . 7 PHE CG 1 1 1 136 1 1 7 PHE CZ C 3.063 -1.340 6.190 1.00 . A A . 7 PHE CZ 1 1 1 137 1 1 7 PHE H H 0.579 0.295 0.138 1.00 . A A . 7 PHE H 1 1 1 138 1 1 7 PHE HA H 2.178 -1.774 1.182 1.00 . A A . 7 PHE HA 1 1 1 139 1 1 7 PHE HB2 H 2.399 0.551 1.849 1.00 . A A . 7 PHE HB2 1 1 1 140 1 1 7 PHE HB3 H 0.753 0.574 2.476 1.00 . A A . 7 PHE HB3 1 1 1 141 1 1 7 PHE HD1 H 4.173 -0.712 3.035 1.00 . A A . 7 PHE HD1 1 1 1 142 1 1 7 PHE HD2 H 0.199 -0.368 4.627 1.00 . A A . 7 PHE HD2 1 1 1 143 1 1 7 PHE HE1 H 4.998 -1.464 5.251 1.00 . A A . 7 PHE HE1 1 1 1 144 1 1 7 PHE HE2 H 1.023 -1.120 6.843 1.00 . A A . 7 PHE HE2 1 1 1 145 1 1 7 PHE HZ H 3.422 -1.667 7.155 1.00 . A A . 7 PHE HZ 1 1 1 146 1 1 7 PHE N N 0.586 -0.675 0.291 1.00 . A A . 7 PHE N 1 1 1 147 1 1 7 PHE O O 0.727 -3.016 3.009 1.00 . A A . 7 PHE O 1 1 1 148 1 1 8 ARG C C -2.307 -4.082 1.869 1.00 . A A . 8 ARG C 1 1 1 149 1 1 8 ARG CA C -1.965 -2.828 2.683 1.00 . A A . 8 ARG CA 1 1 1 150 1 1 8 ARG CB C -3.148 -1.883 2.753 1.00 . A A . 8 ARG CB 1 1 1 151 1 1 8 ARG CD C -3.203 -1.932 5.214 1.00 . A A . 8 ARG CD 1 1 1 152 1 1 8 ARG CG C -4.010 -2.236 3.955 1.00 . A A . 8 ARG CG 1 1 1 153 1 1 8 ARG CZ C -4.079 -1.016 7.277 1.00 . A A . 8 ARG CZ 1 1 1 154 1 1 8 ARG H H -1.246 -1.310 1.378 1.00 . A A . 8 ARG H 1 1 1 155 1 1 8 ARG HA H -1.643 -3.084 3.675 1.00 . A A . 8 ARG HA 1 1 1 156 1 1 8 ARG HB2 H -2.775 -0.877 2.870 1.00 . A A . 8 ARG HB2 1 1 1 157 1 1 8 ARG HB3 H -3.720 -1.953 1.846 1.00 . A A . 8 ARG HB3 1 1 1 158 1 1 8 ARG HD2 H -3.056 -2.833 5.791 1.00 . A A . 8 ARG HD2 1 1 1 159 1 1 8 ARG HD3 H -2.250 -1.495 4.940 1.00 . A A . 8 ARG HD3 1 1 1 160 1 1 8 ARG HE H -4.510 -0.244 5.499 1.00 . A A . 8 ARG HE 1 1 1 161 1 1 8 ARG HG2 H -4.914 -1.643 3.942 1.00 . A A . 8 ARG HG2 1 1 1 162 1 1 8 ARG HG3 H -4.260 -3.285 3.929 1.00 . A A . 8 ARG HG3 1 1 1 163 1 1 8 ARG HH11 H -2.219 -0.332 7.551 1.00 . A A . 8 ARG HH11 1 1 1 164 1 1 8 ARG HH12 H -3.097 -0.713 8.994 1.00 . A A . 8 ARG HH12 1 1 1 165 1 1 8 ARG HH21 H -5.953 -1.719 7.306 1.00 . A A . 8 ARG HH21 1 1 1 166 1 1 8 ARG HH22 H -5.212 -1.498 8.856 1.00 . A A . 8 ARG HH22 1 1 1 167 1 1 8 ARG N N -0.948 -2.005 1.999 1.00 . A A . 8 ARG N 1 1 1 168 1 1 8 ARG NE N -4.019 -0.946 5.974 1.00 . A A . 8 ARG NE 1 1 1 169 1 1 8 ARG NH1 N -3.051 -0.659 7.997 1.00 . A A . 8 ARG NH1 1 1 1 170 1 1 8 ARG NH2 N -5.166 -1.445 7.858 1.00 . A A . 8 ARG NH2 1 1 1 171 1 1 8 ARG O O -2.904 -5.012 2.373 1.00 . A A . 8 ARG O 1 1 1 172 1 1 9 LYS C C -1.076 -6.287 -0.219 1.00 . A A . 9 LYS C 1 1 1 173 1 1 9 LYS CA C -2.252 -5.306 -0.225 1.00 . A A . 9 LYS CA 1 1 1 174 1 1 9 LYS CB C -2.478 -4.752 -1.632 1.00 . A A . 9 LYS CB 1 1 1 175 1 1 9 LYS CD C -4.873 -5.452 -1.781 1.00 . A A . 9 LYS CD 1 1 1 176 1 1 9 LYS CE C -6.296 -4.966 -2.064 1.00 . A A . 9 LYS CE 1 1 1 177 1 1 9 LYS CG C -3.919 -4.256 -1.764 1.00 . A A . 9 LYS CG 1 1 1 178 1 1 9 LYS H H -1.461 -3.352 0.223 1.00 . A A . 9 LYS H 1 1 1 179 1 1 9 LYS HA H -3.147 -5.790 0.128 1.00 . A A . 9 LYS HA 1 1 1 180 1 1 9 LYS HB2 H -1.800 -3.928 -1.807 1.00 . A A . 9 LYS HB2 1 1 1 181 1 1 9 LYS HB3 H -2.299 -5.530 -2.360 1.00 . A A . 9 LYS HB3 1 1 1 182 1 1 9 LYS HD2 H -4.569 -6.145 -2.553 1.00 . A A . 9 LYS HD2 1 1 1 183 1 1 9 LYS HD3 H -4.850 -5.948 -0.823 1.00 . A A . 9 LYS HD3 1 1 1 184 1 1 9 LYS HE2 H -6.841 -4.841 -1.139 1.00 . A A . 9 LYS HE2 1 1 1 185 1 1 9 LYS HE3 H -6.275 -4.039 -2.618 1.00 . A A . 9 LYS HE3 1 1 1 186 1 1 9 LYS HG2 H -4.155 -3.618 -0.925 1.00 . A A . 9 LYS HG2 1 1 1 187 1 1 9 LYS HG3 H -4.026 -3.700 -2.682 1.00 . A A . 9 LYS HG3 1 1 1 188 1 1 9 LYS HZ1 H -7.046 -6.892 -2.311 1.00 . A A . 9 LYS HZ1 1 1 1 189 1 1 9 LYS HZ2 H -6.288 -6.260 -3.695 1.00 . A A . 9 LYS HZ2 1 1 1 190 1 1 9 LYS HZ3 H -7.834 -5.718 -3.248 1.00 . A A . 9 LYS HZ3 1 1 1 191 1 1 9 LYS N N -1.939 -4.113 0.614 1.00 . A A . 9 LYS N 1 1 1 192 1 1 9 LYS NZ N -6.913 -6.040 -2.892 1.00 . A A . 9 LYS NZ 1 1 1 193 1 1 9 LYS O O -1.152 -7.356 0.356 1.00 . A A . 9 LYS O 1 1 1 194 1 1 10 TRP C C 2.060 -6.602 0.347 1.00 . A A . 10 TRP C 1 1 1 195 1 1 10 TRP CA C 1.183 -6.840 -0.897 1.00 . A A . 10 TRP CA 1 1 1 196 1 1 10 TRP CB C 1.922 -6.445 -2.185 1.00 . A A . 10 TRP CB 1 1 1 197 1 1 10 TRP CD1 C 1.089 -5.264 -4.239 1.00 . A A . 10 TRP CD1 1 1 1 198 1 1 10 TRP CD2 C -0.264 -6.944 -3.625 1.00 . A A . 10 TRP CD2 1 1 1 199 1 1 10 TRP CE2 C -0.835 -6.371 -4.780 1.00 . A A . 10 TRP CE2 1 1 1 200 1 1 10 TRP CE3 C -0.920 -8.024 -3.035 1.00 . A A . 10 TRP CE3 1 1 1 201 1 1 10 TRP CG C 0.960 -6.225 -3.306 1.00 . A A . 10 TRP CG 1 1 1 202 1 1 10 TRP CH2 C -2.668 -7.936 -4.726 1.00 . A A . 10 TRP CH2 1 1 1 203 1 1 10 TRP CZ2 C -2.023 -6.855 -5.330 1.00 . A A . 10 TRP CZ2 1 1 1 204 1 1 10 TRP CZ3 C -2.117 -8.521 -3.578 1.00 . A A . 10 TRP CZ3 1 1 1 205 1 1 10 TRP H H 0.052 -5.074 -1.318 1.00 . A A . 10 TRP H 1 1 1 206 1 1 10 TRP HA H 0.870 -7.870 -0.948 1.00 . A A . 10 TRP HA 1 1 1 207 1 1 10 TRP HB2 H 2.460 -5.527 -2.018 1.00 . A A . 10 TRP HB2 1 1 1 208 1 1 10 TRP HB3 H 2.617 -7.224 -2.456 1.00 . A A . 10 TRP HB3 1 1 1 209 1 1 10 TRP HD1 H 1.894 -4.543 -4.289 1.00 . A A . 10 TRP HD1 1 1 1 210 1 1 10 TRP HE1 H -0.120 -4.778 -5.880 1.00 . A A . 10 TRP HE1 1 1 1 211 1 1 10 TRP HE3 H -0.504 -8.470 -2.158 1.00 . A A . 10 TRP HE3 1 1 1 212 1 1 10 TRP HH2 H -3.587 -8.320 -5.141 1.00 . A A . 10 TRP HH2 1 1 1 213 1 1 10 TRP HZ2 H -2.440 -6.398 -6.215 1.00 . A A . 10 TRP HZ2 1 1 1 214 1 1 10 TRP HZ3 H -2.614 -9.358 -3.109 1.00 . A A . 10 TRP HZ3 1 1 1 215 1 1 10 TRP N N 0.007 -5.935 -0.858 1.00 . A A . 10 TRP N 1 1 1 216 1 1 10 TRP NE1 N 0.023 -5.352 -5.115 1.00 . A A . 10 TRP NE1 1 1 1 217 1 1 10 TRP O O 1.658 -6.879 1.460 1.00 . A A . 10 TRP O 1 1 1 218 1 1 11 LYS C C 5.136 -4.740 0.828 1.00 . A A . 11 LYS C 1 1 1 219 1 1 11 LYS CA C 4.142 -5.785 1.308 1.00 . A A . 11 LYS CA 1 1 1 220 1 1 11 LYS CB C 4.851 -7.099 1.647 1.00 . A A . 11 LYS CB 1 1 1 221 1 1 11 LYS CD C 4.350 -8.822 -0.074 1.00 . A A . 11 LYS CD 1 1 1 222 1 1 11 LYS CE C 4.271 -8.855 -1.601 1.00 . A A . 11 LYS CE 1 1 1 223 1 1 11 LYS CG C 5.357 -7.761 0.366 1.00 . A A . 11 LYS CG 1 1 1 224 1 1 11 LYS H H 3.538 -5.837 -0.736 1.00 . A A . 11 LYS H 1 1 1 225 1 1 11 LYS HA H 3.582 -5.430 2.152 1.00 . A A . 11 LYS HA 1 1 1 226 1 1 11 LYS HB2 H 5.687 -6.897 2.301 1.00 . A A . 11 LYS HB2 1 1 1 227 1 1 11 LYS HB3 H 4.159 -7.762 2.143 1.00 . A A . 11 LYS HB3 1 1 1 228 1 1 11 LYS HD2 H 4.661 -9.789 0.295 1.00 . A A . 11 LYS HD2 1 1 1 229 1 1 11 LYS HD3 H 3.379 -8.576 0.331 1.00 . A A . 11 LYS HD3 1 1 1 230 1 1 11 LYS HE2 H 3.296 -9.196 -1.919 1.00 . A A . 11 LYS HE2 1 1 1 231 1 1 11 LYS HE3 H 4.484 -7.880 -2.011 1.00 . A A . 11 LYS HE3 1 1 1 232 1 1 11 LYS HG2 H 5.459 -7.014 -0.406 1.00 . A A . 11 LYS HG2 1 1 1 233 1 1 11 LYS HG3 H 6.313 -8.227 0.551 1.00 . A A . 11 LYS HG3 1 1 1 234 1 1 11 LYS HZ1 H 5.193 -10.720 -1.507 1.00 . A A . 11 LYS HZ1 1 1 1 235 1 1 11 LYS HZ2 H 6.262 -9.432 -1.795 1.00 . A A . 11 LYS HZ2 1 1 1 236 1 1 11 LYS HZ3 H 5.253 -9.995 -3.040 1.00 . A A . 11 LYS HZ3 1 1 1 237 1 1 11 LYS N N 3.240 -6.072 0.165 1.00 . A A . 11 LYS N 1 1 1 238 1 1 11 LYS NZ N 5.325 -9.824 -2.018 1.00 . A A . 11 LYS NZ 1 1 1 239 1 1 11 LYS O O 6.315 -4.797 1.115 1.00 . A A . 11 LYS O 1 1 1 240 1 1 12 LYS C C 6.641 -2.346 0.415 1.00 . A A . 12 LYS C 1 1 1 241 1 1 12 LYS CA C 5.505 -2.746 -0.535 1.00 . A A . 12 LYS CA 1 1 1 242 1 1 12 LYS CB C 4.563 -1.569 -0.766 1.00 . A A . 12 LYS CB 1 1 1 243 1 1 12 LYS CD C 4.449 -1.966 -3.232 1.00 . A A . 12 LYS CD 1 1 1 244 1 1 12 LYS CE C 3.621 -1.424 -4.399 1.00 . A A . 12 LYS CE 1 1 1 245 1 1 12 LYS CG C 3.633 -1.878 -1.941 1.00 . A A . 12 LYS CG 1 1 1 246 1 1 12 LYS H H 3.693 -3.827 -0.177 1.00 . A A . 12 LYS H 1 1 1 247 1 1 12 LYS HA H 5.893 -3.085 -1.481 1.00 . A A . 12 LYS HA 1 1 1 248 1 1 12 LYS HB2 H 3.978 -1.394 0.124 1.00 . A A . 12 LYS HB2 1 1 1 249 1 1 12 LYS HB3 H 5.143 -0.692 -0.994 1.00 . A A . 12 LYS HB3 1 1 1 250 1 1 12 LYS HD2 H 5.352 -1.380 -3.127 1.00 . A A . 12 LYS HD2 1 1 1 251 1 1 12 LYS HD3 H 4.709 -2.996 -3.424 1.00 . A A . 12 LYS HD3 1 1 1 252 1 1 12 LYS HE2 H 2.634 -1.868 -4.396 1.00 . A A . 12 LYS HE2 1 1 1 253 1 1 12 LYS HE3 H 3.551 -0.349 -4.346 1.00 . A A . 12 LYS HE3 1 1 1 254 1 1 12 LYS HG2 H 3.132 -2.820 -1.766 1.00 . A A . 12 LYS HG2 1 1 1 255 1 1 12 LYS HG3 H 2.898 -1.093 -2.035 1.00 . A A . 12 LYS HG3 1 1 1 256 1 1 12 LYS HZ1 H 4.349 -2.861 -5.716 1.00 . A A . 12 LYS HZ1 1 1 1 257 1 1 12 LYS HZ2 H 5.357 -1.505 -5.543 1.00 . A A . 12 LYS HZ2 1 1 1 258 1 1 12 LYS HZ3 H 3.929 -1.395 -6.458 1.00 . A A . 12 LYS HZ3 1 1 1 259 1 1 12 LYS N N 4.645 -3.809 0.050 1.00 . A A . 12 LYS N 1 1 1 260 1 1 12 LYS NZ N 4.371 -1.827 -5.621 1.00 . A A . 12 LYS NZ 1 1 1 261 1 1 12 LYS O O 7.776 -2.312 -0.030 1.00 . A A . 12 LYS O 1 1 1 262 1 1 12 LYS OXT O 6.353 -2.081 1.571 1.00 . A A . 12 LYS OXT 1 1 2 263 1 1 1 ARG C C 2.146 8.458 -2.940 1.00 . A A . 1 ARG C 1 1 2 264 1 1 1 ARG CA C 3.087 8.783 -4.105 1.00 . A A . 1 ARG CA 1 1 2 265 1 1 1 ARG CB C 4.349 9.492 -3.603 1.00 . A A . 1 ARG CB 1 1 2 266 1 1 1 ARG CD C 5.637 7.395 -3.250 1.00 . A A . 1 ARG CD 1 1 2 267 1 1 1 ARG CG C 5.056 8.622 -2.563 1.00 . A A . 1 ARG CG 1 1 2 268 1 1 1 ARG CZ C 7.378 7.217 -4.923 1.00 . A A . 1 ARG CZ 1 1 2 269 1 1 1 ARG H1 H 2.220 10.632 -4.512 1.00 . A A . 1 ARG H1 1 1 2 270 1 1 1 ARG H2 H 1.562 9.347 -5.407 1.00 . A A . 1 ARG H2 1 1 2 271 1 1 1 ARG H3 H 3.088 9.975 -5.812 1.00 . A A . 1 ARG H3 1 1 2 272 1 1 1 ARG HA H 3.354 7.883 -4.635 1.00 . A A . 1 ARG HA 1 1 2 273 1 1 1 ARG HB2 H 5.014 9.673 -4.434 1.00 . A A . 1 ARG HB2 1 1 2 274 1 1 1 ARG HB3 H 4.075 10.428 -3.153 1.00 . A A . 1 ARG HB3 1 1 2 275 1 1 1 ARG HD2 H 5.858 6.625 -2.523 1.00 . A A . 1 ARG HD2 1 1 2 276 1 1 1 ARG HD3 H 4.946 7.031 -3.987 1.00 . A A . 1 ARG HD3 1 1 2 277 1 1 1 ARG HE H 7.337 8.676 -3.576 1.00 . A A . 1 ARG HE 1 1 2 278 1 1 1 ARG HG2 H 5.850 9.188 -2.097 1.00 . A A . 1 ARG HG2 1 1 2 279 1 1 1 ARG HG3 H 4.348 8.309 -1.816 1.00 . A A . 1 ARG HG3 1 1 2 280 1 1 1 ARG HH11 H 7.118 5.417 -4.087 1.00 . A A . 1 ARG HH11 1 1 2 281 1 1 1 ARG HH12 H 7.821 5.413 -5.669 1.00 . A A . 1 ARG HH12 1 1 2 282 1 1 1 ARG HH21 H 7.753 8.865 -5.997 1.00 . A A . 1 ARG HH21 1 1 2 283 1 1 1 ARG HH22 H 8.181 7.365 -6.751 1.00 . A A . 1 ARG HH22 1 1 2 284 1 1 1 ARG N N 2.441 9.759 -5.029 1.00 . A A . 1 ARG N 1 1 2 285 1 1 1 ARG NE N 6.885 7.871 -3.907 1.00 . A A . 1 ARG NE 1 1 2 286 1 1 1 ARG NH1 N 7.443 5.915 -4.890 1.00 . A A . 1 ARG NH1 1 1 2 287 1 1 1 ARG NH2 N 7.804 7.867 -5.972 1.00 . A A . 1 ARG NH2 1 1 2 288 1 1 1 ARG O O 2.181 9.097 -1.905 1.00 . A A . 1 ARG O 1 1 2 289 1 1 2 GLN C C 0.862 5.855 -1.276 1.00 . A A . 2 GLN C 1 1 2 290 1 1 2 GLN CA C 0.365 7.103 -2.003 1.00 . A A . 2 GLN CA 1 1 2 291 1 1 2 GLN CB C -0.969 6.831 -2.695 1.00 . A A . 2 GLN CB 1 1 2 292 1 1 2 GLN CD C -1.225 9.221 -3.381 1.00 . A A . 2 GLN CD 1 1 2 293 1 1 2 GLN CG C -1.858 8.072 -2.594 1.00 . A A . 2 GLN CG 1 1 2 294 1 1 2 GLN H H 1.297 6.968 -3.941 1.00 . A A . 2 GLN H 1 1 2 295 1 1 2 GLN HA H 0.261 7.917 -1.310 1.00 . A A . 2 GLN HA 1 1 2 296 1 1 2 GLN HB2 H -0.793 6.597 -3.737 1.00 . A A . 2 GLN HB2 1 1 2 297 1 1 2 GLN HB3 H -1.461 5.998 -2.214 1.00 . A A . 2 GLN HB3 1 1 2 298 1 1 2 GLN HE21 H -1.301 10.490 -1.853 1.00 . A A . 2 GLN HE21 1 1 2 299 1 1 2 GLN HE22 H -0.631 11.116 -3.291 1.00 . A A . 2 GLN HE22 1 1 2 300 1 1 2 GLN HG2 H -2.834 7.849 -3.001 1.00 . A A . 2 GLN HG2 1 1 2 301 1 1 2 GLN HG3 H -1.956 8.361 -1.556 1.00 . A A . 2 GLN HG3 1 1 2 302 1 1 2 GLN N N 1.307 7.470 -3.100 1.00 . A A . 2 GLN N 1 1 2 303 1 1 2 GLN NE2 N -1.037 10.371 -2.794 1.00 . A A . 2 GLN NE2 1 1 2 304 1 1 2 GLN O O 1.096 5.876 -0.087 1.00 . A A . 2 GLN O 1 1 2 305 1 1 2 GLN OE1 O -0.901 9.072 -4.542 1.00 . A A . 2 GLN OE1 1 1 2 306 1 1 3 ILE C C 0.915 3.213 -0.024 1.00 . A A . 3 ILE C 1 1 2 307 1 1 3 ILE CA C 1.562 3.531 -1.387 1.00 . A A . 3 ILE CA 1 1 2 308 1 1 3 ILE CB C 3.063 3.776 -1.301 1.00 . A A . 3 ILE CB 1 1 2 309 1 1 3 ILE CD1 C 3.343 1.466 -0.449 1.00 . A A . 3 ILE CD1 1 1 2 310 1 1 3 ILE CG1 C 3.757 2.450 -1.542 1.00 . A A . 3 ILE CG1 1 1 2 311 1 1 3 ILE CG2 C 3.481 4.365 0.058 1.00 . A A . 3 ILE CG2 1 1 2 312 1 1 3 ILE H H 0.896 4.804 -2.949 1.00 . A A . 3 ILE H 1 1 2 313 1 1 3 ILE HA H 1.386 2.710 -2.065 1.00 . A A . 3 ILE HA 1 1 2 314 1 1 3 ILE HB H 3.336 4.461 -2.085 1.00 . A A . 3 ILE HB 1 1 2 315 1 1 3 ILE HD11 H 2.291 1.239 -0.555 1.00 . A A . 3 ILE HD11 1 1 2 316 1 1 3 ILE HD12 H 3.516 1.915 0.520 1.00 . A A . 3 ILE HD12 1 1 2 317 1 1 3 ILE HD13 H 3.919 0.563 -0.537 1.00 . A A . 3 ILE HD13 1 1 2 318 1 1 3 ILE HG12 H 3.443 2.077 -2.508 1.00 . A A . 3 ILE HG12 1 1 2 319 1 1 3 ILE HG13 H 4.829 2.587 -1.527 1.00 . A A . 3 ILE HG13 1 1 2 320 1 1 3 ILE HG21 H 4.134 5.209 -0.106 1.00 . A A . 3 ILE HG21 1 1 2 321 1 1 3 ILE HG22 H 4.001 3.614 0.631 1.00 . A A . 3 ILE HG22 1 1 2 322 1 1 3 ILE HG23 H 2.608 4.689 0.600 1.00 . A A . 3 ILE HG23 1 1 2 323 1 1 3 ILE N N 1.054 4.782 -1.993 1.00 . A A . 3 ILE N 1 1 2 324 1 1 3 ILE O O 1.559 2.733 0.888 1.00 . A A . 3 ILE O 1 1 2 325 1 1 4 LYS C C -2.012 2.000 1.190 1.00 . A A . 4 LYS C 1 1 2 326 1 1 4 LYS CA C -1.025 3.141 1.405 1.00 . A A . 4 LYS CA 1 1 2 327 1 1 4 LYS CB C -1.718 4.433 1.794 1.00 . A A . 4 LYS CB 1 1 2 328 1 1 4 LYS CD C -0.848 6.374 3.102 1.00 . A A . 4 LYS CD 1 1 2 329 1 1 4 LYS CE C -2.038 7.323 2.932 1.00 . A A . 4 LYS CE 1 1 2 330 1 1 4 LYS CG C -0.675 5.536 1.836 1.00 . A A . 4 LYS CG 1 1 2 331 1 1 4 LYS H H -0.869 3.837 -0.615 1.00 . A A . 4 LYS H 1 1 2 332 1 1 4 LYS HA H -0.295 2.872 2.149 1.00 . A A . 4 LYS HA 1 1 2 333 1 1 4 LYS HB2 H -2.484 4.674 1.070 1.00 . A A . 4 LYS HB2 1 1 2 334 1 1 4 LYS HB3 H -2.152 4.323 2.759 1.00 . A A . 4 LYS HB3 1 1 2 335 1 1 4 LYS HD2 H -1.022 5.722 3.946 1.00 . A A . 4 LYS HD2 1 1 2 336 1 1 4 LYS HD3 H 0.047 6.950 3.271 1.00 . A A . 4 LYS HD3 1 1 2 337 1 1 4 LYS HE2 H -1.765 8.325 3.237 1.00 . A A . 4 LYS HE2 1 1 2 338 1 1 4 LYS HE3 H -2.380 7.321 1.909 1.00 . A A . 4 LYS HE3 1 1 2 339 1 1 4 LYS HG2 H 0.306 5.078 1.835 1.00 . A A . 4 LYS HG2 1 1 2 340 1 1 4 LYS HG3 H -0.781 6.166 0.967 1.00 . A A . 4 LYS HG3 1 1 2 341 1 1 4 LYS HZ1 H -3.194 5.755 3.666 1.00 . A A . 4 LYS HZ1 1 1 2 342 1 1 4 LYS HZ2 H -4.002 7.249 3.618 1.00 . A A . 4 LYS HZ2 1 1 2 343 1 1 4 LYS HZ3 H -2.837 6.948 4.817 1.00 . A A . 4 LYS HZ3 1 1 2 344 1 1 4 LYS N N -0.353 3.457 0.119 1.00 . A A . 4 LYS N 1 1 2 345 1 1 4 LYS NZ N -3.097 6.778 3.826 1.00 . A A . 4 LYS NZ 1 1 2 346 1 1 4 LYS O O -2.008 1.017 1.906 1.00 . A A . 4 LYS O 1 1 2 347 1 1 5 ILE C C -2.951 -0.177 -0.683 1.00 . A A . 5 ILE C 1 1 2 348 1 1 5 ILE CA C -3.769 0.989 -0.129 1.00 . A A . 5 ILE CA 1 1 2 349 1 1 5 ILE CB C -4.720 1.545 -1.196 1.00 . A A . 5 ILE CB 1 1 2 350 1 1 5 ILE CD1 C -5.608 2.888 0.730 1.00 . A A . 5 ILE CD1 1 1 2 351 1 1 5 ILE CG1 C -5.260 2.912 -0.760 1.00 . A A . 5 ILE CG1 1 1 2 352 1 1 5 ILE CG2 C -5.888 0.577 -1.396 1.00 . A A . 5 ILE CG2 1 1 2 353 1 1 5 ILE H H -2.776 2.878 -0.410 1.00 . A A . 5 ILE H 1 1 2 354 1 1 5 ILE HA H -4.315 0.695 0.753 1.00 . A A . 5 ILE HA 1 1 2 355 1 1 5 ILE HB H -4.186 1.655 -2.126 1.00 . A A . 5 ILE HB 1 1 2 356 1 1 5 ILE HD11 H -6.356 3.637 0.938 1.00 . A A . 5 ILE HD11 1 1 2 357 1 1 5 ILE HD12 H -4.720 3.093 1.308 1.00 . A A . 5 ILE HD12 1 1 2 358 1 1 5 ILE HD13 H -5.992 1.913 0.992 1.00 . A A . 5 ILE HD13 1 1 2 359 1 1 5 ILE HG12 H -4.510 3.668 -0.941 1.00 . A A . 5 ILE HG12 1 1 2 360 1 1 5 ILE HG13 H -6.144 3.142 -1.332 1.00 . A A . 5 ILE HG13 1 1 2 361 1 1 5 ILE HG21 H -5.954 -0.089 -0.549 1.00 . A A . 5 ILE HG21 1 1 2 362 1 1 5 ILE HG22 H -5.727 0.001 -2.295 1.00 . A A . 5 ILE HG22 1 1 2 363 1 1 5 ILE HG23 H -6.808 1.135 -1.487 1.00 . A A . 5 ILE HG23 1 1 2 364 1 1 5 ILE N N -2.822 2.097 0.176 1.00 . A A . 5 ILE N 1 1 2 365 1 1 5 ILE O O -3.392 -1.307 -0.738 1.00 . A A . 5 ILE O 1 1 2 366 1 1 6 TRP C C -0.102 -1.576 -0.468 1.00 . A A . 6 TRP C 1 1 2 367 1 1 6 TRP CA C -0.827 -0.920 -1.617 1.00 . A A . 6 TRP CA 1 1 2 368 1 1 6 TRP CB C 0.178 -0.138 -2.458 1.00 . A A . 6 TRP CB 1 1 2 369 1 1 6 TRP CD1 C -0.474 -0.179 -4.840 1.00 . A A . 6 TRP CD1 1 1 2 370 1 1 6 TRP CD2 C -1.267 1.627 -3.795 1.00 . A A . 6 TRP CD2 1 1 2 371 1 1 6 TRP CE2 C -1.706 1.715 -5.135 1.00 . A A . 6 TRP CE2 1 1 2 372 1 1 6 TRP CE3 C -1.629 2.648 -2.906 1.00 . A A . 6 TRP CE3 1 1 2 373 1 1 6 TRP CG C -0.494 0.409 -3.650 1.00 . A A . 6 TRP CG 1 1 2 374 1 1 6 TRP CH2 C -2.833 3.794 -4.687 1.00 . A A . 6 TRP CH2 1 1 2 375 1 1 6 TRP CZ2 C -2.478 2.781 -5.581 1.00 . A A . 6 TRP CZ2 1 1 2 376 1 1 6 TRP CZ3 C -2.408 3.729 -3.350 1.00 . A A . 6 TRP CZ3 1 1 2 377 1 1 6 TRP H H -1.426 1.039 -0.999 1.00 . A A . 6 TRP H 1 1 2 378 1 1 6 TRP HA H -1.356 -1.637 -2.204 1.00 . A A . 6 TRP HA 1 1 2 379 1 1 6 TRP HB2 H 0.579 0.673 -1.878 1.00 . A A . 6 TRP HB2 1 1 2 380 1 1 6 TRP HB3 H 0.982 -0.789 -2.764 1.00 . A A . 6 TRP HB3 1 1 2 381 1 1 6 TRP HD1 H 0.023 -1.096 -5.048 1.00 . A A . 6 TRP HD1 1 1 2 382 1 1 6 TRP HE1 H -1.333 0.367 -6.678 1.00 . A A . 6 TRP HE1 1 1 2 383 1 1 6 TRP HE3 H -1.300 2.601 -1.877 1.00 . A A . 6 TRP HE3 1 1 2 384 1 1 6 TRP HH2 H -3.432 4.626 -5.023 1.00 . A A . 6 TRP HH2 1 1 2 385 1 1 6 TRP HZ2 H -2.800 2.822 -6.610 1.00 . A A . 6 TRP HZ2 1 1 2 386 1 1 6 TRP HZ3 H -2.684 4.513 -2.659 1.00 . A A . 6 TRP HZ3 1 1 2 387 1 1 6 TRP N N -1.741 0.118 -1.076 1.00 . A A . 6 TRP N 1 1 2 388 1 1 6 TRP NE1 N -1.194 0.584 -5.735 1.00 . A A . 6 TRP NE1 1 1 2 389 1 1 6 TRP O O -0.150 -2.773 -0.263 1.00 . A A . 6 TRP O 1 1 2 390 1 1 7 PHE C C 0.368 -2.147 2.330 1.00 . A A . 7 PHE C 1 1 2 391 1 1 7 PHE CA C 1.293 -1.260 1.490 1.00 . A A . 7 PHE CA 1 1 2 392 1 1 7 PHE CB C 1.658 0.008 2.267 1.00 . A A . 7 PHE CB 1 1 2 393 1 1 7 PHE CD1 C 3.359 -1.198 3.679 1.00 . A A . 7 PHE CD1 1 1 2 394 1 1 7 PHE CD2 C 1.657 0.128 4.786 1.00 . A A . 7 PHE CD2 1 1 2 395 1 1 7 PHE CE1 C 3.900 -1.544 4.923 1.00 . A A . 7 PHE CE1 1 1 2 396 1 1 7 PHE CE2 C 2.198 -0.217 6.030 1.00 . A A . 7 PHE CE2 1 1 2 397 1 1 7 PHE CG C 2.239 -0.364 3.610 1.00 . A A . 7 PHE CG 1 1 2 398 1 1 7 PHE CZ C 3.319 -1.053 6.100 1.00 . A A . 7 PHE CZ 1 1 2 399 1 1 7 PHE H H 0.533 0.193 0.083 1.00 . A A . 7 PHE H 1 1 2 400 1 1 7 PHE HA H 2.183 -1.794 1.199 1.00 . A A . 7 PHE HA 1 1 2 401 1 1 7 PHE HB2 H 2.381 0.582 1.706 1.00 . A A . 7 PHE HB2 1 1 2 402 1 1 7 PHE HB3 H 0.769 0.603 2.417 1.00 . A A . 7 PHE HB3 1 1 2 403 1 1 7 PHE HD1 H 3.804 -1.578 2.772 1.00 . A A . 7 PHE HD1 1 1 2 404 1 1 7 PHE HD2 H 0.790 0.771 4.731 1.00 . A A . 7 PHE HD2 1 1 2 405 1 1 7 PHE HE1 H 4.764 -2.189 4.977 1.00 . A A . 7 PHE HE1 1 1 2 406 1 1 7 PHE HE2 H 1.749 0.162 6.937 1.00 . A A . 7 PHE HE2 1 1 2 407 1 1 7 PHE HZ H 3.736 -1.318 7.060 1.00 . A A . 7 PHE HZ 1 1 2 408 1 1 7 PHE N N 0.551 -0.763 0.295 1.00 . A A . 7 PHE N 1 1 2 409 1 1 7 PHE O O 0.807 -2.941 3.139 1.00 . A A . 7 PHE O 1 1 2 410 1 1 8 ARG C C -2.270 -4.069 2.191 1.00 . A A . 8 ARG C 1 1 2 411 1 1 8 ARG CA C -1.896 -2.772 2.917 1.00 . A A . 8 ARG CA 1 1 2 412 1 1 8 ARG CB C -3.077 -1.826 2.981 1.00 . A A . 8 ARG CB 1 1 2 413 1 1 8 ARG CD C -3.046 -1.659 5.432 1.00 . A A . 8 ARG CD 1 1 2 414 1 1 8 ARG CG C -3.881 -2.108 4.237 1.00 . A A . 8 ARG CG 1 1 2 415 1 1 8 ARG CZ C -3.264 0.236 6.925 1.00 . A A . 8 ARG CZ 1 1 2 416 1 1 8 ARG H H -1.238 -1.329 1.501 1.00 . A A . 8 ARG H 1 1 2 417 1 1 8 ARG HA H -1.535 -2.971 3.908 1.00 . A A . 8 ARG HA 1 1 2 418 1 1 8 ARG HB2 H -2.703 -0.815 3.023 1.00 . A A . 8 ARG HB2 1 1 2 419 1 1 8 ARG HB3 H -3.689 -1.950 2.107 1.00 . A A . 8 ARG HB3 1 1 2 420 1 1 8 ARG HD2 H -2.903 -2.481 6.119 1.00 . A A . 8 ARG HD2 1 1 2 421 1 1 8 ARG HD3 H -2.091 -1.278 5.091 1.00 . A A . 8 ARG HD3 1 1 2 422 1 1 8 ARG HE H -4.780 -0.452 5.845 1.00 . A A . 8 ARG HE 1 1 2 423 1 1 8 ARG HG2 H -4.812 -1.558 4.207 1.00 . A A . 8 ARG HG2 1 1 2 424 1 1 8 ARG HG3 H -4.081 -3.165 4.311 1.00 . A A . 8 ARG HG3 1 1 2 425 1 1 8 ARG HH11 H -2.274 -1.224 7.872 1.00 . A A . 8 ARG HH11 1 1 2 426 1 1 8 ARG HH12 H -2.020 0.376 8.487 1.00 . A A . 8 ARG HH12 1 1 2 427 1 1 8 ARG HH21 H -4.120 1.884 6.176 1.00 . A A . 8 ARG HH21 1 1 2 428 1 1 8 ARG HH22 H -3.066 2.136 7.527 1.00 . A A . 8 ARG HH22 1 1 2 429 1 1 8 ARG N N -0.913 -1.989 2.146 1.00 . A A . 8 ARG N 1 1 2 430 1 1 8 ARG NE N -3.834 -0.568 6.070 1.00 . A A . 8 ARG NE 1 1 2 431 1 1 8 ARG NH1 N -2.457 -0.241 7.832 1.00 . A A . 8 ARG NH1 1 1 2 432 1 1 8 ARG NH2 N -3.502 1.518 6.871 1.00 . A A . 8 ARG NH2 1 1 2 433 1 1 8 ARG O O -2.894 -4.946 2.758 1.00 . A A . 8 ARG O 1 1 2 434 1 1 9 LYS C C -1.074 -6.422 0.217 1.00 . A A . 9 LYS C 1 1 2 435 1 1 9 LYS CA C -2.246 -5.437 0.189 1.00 . A A . 9 LYS CA 1 1 2 436 1 1 9 LYS CB C -2.515 -4.964 -1.239 1.00 . A A . 9 LYS CB 1 1 2 437 1 1 9 LYS CD C -4.981 -5.352 -1.123 1.00 . A A . 9 LYS CD 1 1 2 438 1 1 9 LYS CE C -6.353 -4.715 -1.360 1.00 . A A . 9 LYS CE 1 1 2 439 1 1 9 LYS CG C -3.889 -4.297 -1.307 1.00 . A A . 9 LYS CG 1 1 2 440 1 1 9 LYS H H -1.404 -3.482 0.501 1.00 . A A . 9 LYS H 1 1 2 441 1 1 9 LYS HA H -3.131 -5.895 0.599 1.00 . A A . 9 LYS HA 1 1 2 442 1 1 9 LYS HB2 H -1.756 -4.251 -1.529 1.00 . A A . 9 LYS HB2 1 1 2 443 1 1 9 LYS HB3 H -2.494 -5.810 -1.909 1.00 . A A . 9 LYS HB3 1 1 2 444 1 1 9 LYS HD2 H -4.828 -6.154 -1.832 1.00 . A A . 9 LYS HD2 1 1 2 445 1 1 9 LYS HD3 H -4.938 -5.744 -0.119 1.00 . A A . 9 LYS HD3 1 1 2 446 1 1 9 LYS HE2 H -6.435 -3.788 -0.809 1.00 . A A . 9 LYS HE2 1 1 2 447 1 1 9 LYS HE3 H -6.512 -4.545 -2.414 1.00 . A A . 9 LYS HE3 1 1 2 448 1 1 9 LYS HG2 H -3.966 -3.556 -0.525 1.00 . A A . 9 LYS HG2 1 1 2 449 1 1 9 LYS HG3 H -4.011 -3.819 -2.268 1.00 . A A . 9 LYS HG3 1 1 2 450 1 1 9 LYS HZ1 H -7.361 -6.531 -1.492 1.00 . A A . 9 LYS HZ1 1 1 2 451 1 1 9 LYS HZ2 H -8.277 -5.279 -0.802 1.00 . A A . 9 LYS HZ2 1 1 2 452 1 1 9 LYS HZ3 H -7.046 -6.030 0.098 1.00 . A A . 9 LYS HZ3 1 1 2 453 1 1 9 LYS N N -1.903 -4.199 0.944 1.00 . A A . 9 LYS N 1 1 2 454 1 1 9 LYS NZ N -7.333 -5.714 -0.851 1.00 . A A . 9 LYS NZ 1 1 2 455 1 1 9 LYS O O -1.107 -7.422 0.909 1.00 . A A . 9 LYS O 1 1 2 456 1 1 10 TRP C C 2.081 -6.715 0.604 1.00 . A A . 10 TRP C 1 1 2 457 1 1 10 TRP CA C 1.130 -7.061 -0.558 1.00 . A A . 10 TRP CA 1 1 2 458 1 1 10 TRP CB C 1.790 -6.792 -1.920 1.00 . A A . 10 TRP CB 1 1 2 459 1 1 10 TRP CD1 C 0.834 -5.822 -4.030 1.00 . A A . 10 TRP CD1 1 1 2 460 1 1 10 TRP CD2 C -0.478 -7.427 -3.172 1.00 . A A . 10 TRP CD2 1 1 2 461 1 1 10 TRP CE2 C -1.116 -6.971 -4.343 1.00 . A A . 10 TRP CE2 1 1 2 462 1 1 10 TRP CE3 C -1.098 -8.439 -2.438 1.00 . A A . 10 TRP CE3 1 1 2 463 1 1 10 TRP CG C 0.763 -6.684 -2.998 1.00 . A A . 10 TRP CG 1 1 2 464 1 1 10 TRP CH2 C -2.940 -8.516 -4.025 1.00 . A A . 10 TRP CH2 1 1 2 465 1 1 10 TRP CZ2 C -2.332 -7.504 -4.773 1.00 . A A . 10 TRP CZ2 1 1 2 466 1 1 10 TRP CZ3 C -2.323 -8.983 -2.858 1.00 . A A . 10 TRP CZ3 1 1 2 467 1 1 10 TRP H H -0.032 -5.341 -1.084 1.00 . A A . 10 TRP H 1 1 2 468 1 1 10 TRP HA H 0.814 -8.089 -0.495 1.00 . A A . 10 TRP HA 1 1 2 469 1 1 10 TRP HB2 H 2.329 -5.860 -1.873 1.00 . A A . 10 TRP HB2 1 1 2 470 1 1 10 TRP HB3 H 2.474 -7.592 -2.153 1.00 . A A . 10 TRP HB3 1 1 2 471 1 1 10 TRP HD1 H 1.635 -5.114 -4.200 1.00 . A A . 10 TRP HD1 1 1 2 472 1 1 10 TRP HE1 H -0.468 -5.501 -5.640 1.00 . A A . 10 TRP HE1 1 1 2 473 1 1 10 TRP HE3 H -0.631 -8.796 -1.547 1.00 . A A . 10 TRP HE3 1 1 2 474 1 1 10 TRP HH2 H -3.881 -8.935 -4.346 1.00 . A A . 10 TRP HH2 1 1 2 475 1 1 10 TRP HZ2 H -2.801 -7.137 -5.674 1.00 . A A . 10 TRP HZ2 1 1 2 476 1 1 10 TRP HZ3 H -2.791 -9.765 -2.279 1.00 . A A . 10 TRP HZ3 1 1 2 477 1 1 10 TRP N N -0.040 -6.148 -0.532 1.00 . A A . 10 TRP N 1 1 2 478 1 1 10 TRP NE1 N -0.279 -5.996 -4.830 1.00 . A A . 10 TRP NE1 1 1 2 479 1 1 10 TRP O O 1.754 -6.903 1.759 1.00 . A A . 10 TRP O 1 1 2 480 1 1 11 LYS C C 5.186 -4.829 0.734 1.00 . A A . 11 LYS C 1 1 2 481 1 1 11 LYS CA C 4.213 -5.814 1.362 1.00 . A A . 11 LYS CA 1 1 2 482 1 1 11 LYS CB C 4.933 -7.099 1.781 1.00 . A A . 11 LYS CB 1 1 2 483 1 1 11 LYS CD C 4.306 -8.997 0.305 1.00 . A A . 11 LYS CD 1 1 2 484 1 1 11 LYS CE C 4.097 -9.194 -1.199 1.00 . A A . 11 LYS CE 1 1 2 485 1 1 11 LYS CG C 5.337 -7.896 0.541 1.00 . A A . 11 LYS CG 1 1 2 486 1 1 11 LYS H H 3.483 -6.035 -0.628 1.00 . A A . 11 LYS H 1 1 2 487 1 1 11 LYS HA H 3.704 -5.378 2.201 1.00 . A A . 11 LYS HA 1 1 2 488 1 1 11 LYS HB2 H 5.816 -6.847 2.349 1.00 . A A . 11 LYS HB2 1 1 2 489 1 1 11 LYS HB3 H 4.272 -7.695 2.390 1.00 . A A . 11 LYS HB3 1 1 2 490 1 1 11 LYS HD2 H 4.657 -9.919 0.745 1.00 . A A . 11 LYS HD2 1 1 2 491 1 1 11 LYS HD3 H 3.372 -8.710 0.765 1.00 . A A . 11 LYS HD3 1 1 2 492 1 1 11 LYS HE2 H 3.049 -9.358 -1.411 1.00 . A A . 11 LYS HE2 1 1 2 493 1 1 11 LYS HE3 H 4.463 -8.340 -1.745 1.00 . A A . 11 LYS HE3 1 1 2 494 1 1 11 LYS HG2 H 5.368 -7.238 -0.314 1.00 . A A . 11 LYS HG2 1 1 2 495 1 1 11 LYS HG3 H 6.309 -8.339 0.695 1.00 . A A . 11 LYS HG3 1 1 2 496 1 1 11 LYS HZ1 H 4.832 -10.581 -2.565 1.00 . A A . 11 LYS HZ1 1 1 2 497 1 1 11 LYS HZ2 H 4.522 -11.223 -1.022 1.00 . A A . 11 LYS HZ2 1 1 2 498 1 1 11 LYS HZ3 H 5.890 -10.248 -1.282 1.00 . A A . 11 LYS HZ3 1 1 2 499 1 1 11 LYS N N 3.243 -6.197 0.306 1.00 . A A . 11 LYS N 1 1 2 500 1 1 11 LYS NZ N 4.895 -10.403 -1.542 1.00 . A A . 11 LYS NZ 1 1 2 501 1 1 11 LYS O O 6.376 -4.862 0.976 1.00 . A A . 11 LYS O 1 1 2 502 1 1 12 LYS C C 6.714 -2.548 -0.024 1.00 . A A . 12 LYS C 1 1 2 503 1 1 12 LYS CA C 5.492 -2.983 -0.842 1.00 . A A . 12 LYS CA 1 1 2 504 1 1 12 LYS CB C 4.558 -1.798 -1.072 1.00 . A A . 12 LYS CB 1 1 2 505 1 1 12 LYS CD C 4.218 -2.406 -3.476 1.00 . A A . 12 LYS CD 1 1 2 506 1 1 12 LYS CE C 3.565 -1.548 -4.564 1.00 . A A . 12 LYS CE 1 1 2 507 1 1 12 LYS CG C 3.519 -2.160 -2.136 1.00 . A A . 12 LYS CG 1 1 2 508 1 1 12 LYS H H 3.701 -4.016 -0.295 1.00 . A A . 12 LYS H 1 1 2 509 1 1 12 LYS HA H 5.788 -3.395 -1.791 1.00 . A A . 12 LYS HA 1 1 2 510 1 1 12 LYS HB2 H 4.059 -1.548 -0.148 1.00 . A A . 12 LYS HB2 1 1 2 511 1 1 12 LYS HB3 H 5.134 -0.955 -1.410 1.00 . A A . 12 LYS HB3 1 1 2 512 1 1 12 LYS HD2 H 5.264 -2.145 -3.392 1.00 . A A . 12 LYS HD2 1 1 2 513 1 1 12 LYS HD3 H 4.127 -3.449 -3.742 1.00 . A A . 12 LYS HD3 1 1 2 514 1 1 12 LYS HE2 H 3.700 -2.005 -5.534 1.00 . A A . 12 LYS HE2 1 1 2 515 1 1 12 LYS HE3 H 2.517 -1.408 -4.354 1.00 . A A . 12 LYS HE3 1 1 2 516 1 1 12 LYS HG2 H 2.993 -3.055 -1.835 1.00 . A A . 12 LYS HG2 1 1 2 517 1 1 12 LYS HG3 H 2.816 -1.349 -2.242 1.00 . A A . 12 LYS HG3 1 1 2 518 1 1 12 LYS HZ1 H 4.250 0.122 -3.526 1.00 . A A . 12 LYS HZ1 1 1 2 519 1 1 12 LYS HZ2 H 3.812 0.439 -5.136 1.00 . A A . 12 LYS HZ2 1 1 2 520 1 1 12 LYS HZ3 H 5.267 -0.370 -4.791 1.00 . A A . 12 LYS HZ3 1 1 2 521 1 1 12 LYS N N 4.661 -3.979 -0.114 1.00 . A A . 12 LYS N 1 1 2 522 1 1 12 LYS NZ N 4.277 -0.241 -4.499 1.00 . A A . 12 LYS NZ 1 1 2 523 1 1 12 LYS O O 7.821 -2.835 -0.450 1.00 . A A . 12 LYS O 1 1 2 524 1 1 12 LYS OXT O 6.522 -1.936 1.014 1.00 . A A . 12 LYS OXT 1 1 3 525 1 1 1 ARG C C 1.854 7.802 -3.243 1.00 . A A . 1 ARG C 1 1 3 526 1 1 1 ARG CA C 2.447 8.023 -4.637 1.00 . A A . 1 ARG CA 1 1 3 527 1 1 1 ARG CB C 3.097 6.735 -5.152 1.00 . A A . 1 ARG CB 1 1 3 528 1 1 1 ARG CD C 2.995 7.474 -7.520 1.00 . A A . 1 ARG CD 1 1 3 529 1 1 1 ARG CG C 2.547 6.402 -6.538 1.00 . A A . 1 ARG CG 1 1 3 530 1 1 1 ARG CZ C 4.971 7.598 -8.914 1.00 . A A . 1 ARG CZ 1 1 3 531 1 1 1 ARG H1 H 3.168 9.956 -4.343 1.00 . A A . 1 ARG H1 1 1 3 532 1 1 1 ARG H2 H 4.039 9.058 -5.494 1.00 . A A . 1 ARG H2 1 1 3 533 1 1 1 ARG H3 H 4.234 8.737 -3.837 1.00 . A A . 1 ARG H3 1 1 3 534 1 1 1 ARG HA H 1.683 8.352 -5.323 1.00 . A A . 1 ARG HA 1 1 3 535 1 1 1 ARG HB2 H 4.167 6.869 -5.211 1.00 . A A . 1 ARG HB2 1 1 3 536 1 1 1 ARG HB3 H 2.873 5.927 -4.479 1.00 . A A . 1 ARG HB3 1 1 3 537 1 1 1 ARG HD2 H 2.394 7.439 -8.418 1.00 . A A . 1 ARG HD2 1 1 3 538 1 1 1 ARG HD3 H 2.928 8.441 -7.055 1.00 . A A . 1 ARG HD3 1 1 3 539 1 1 1 ARG HE H 4.930 6.592 -7.202 1.00 . A A . 1 ARG HE 1 1 3 540 1 1 1 ARG HG2 H 2.921 5.439 -6.856 1.00 . A A . 1 ARG HG2 1 1 3 541 1 1 1 ARG HG3 H 1.472 6.380 -6.503 1.00 . A A . 1 ARG HG3 1 1 3 542 1 1 1 ARG HH11 H 4.221 9.444 -8.716 1.00 . A A . 1 ARG HH11 1 1 3 543 1 1 1 ARG HH12 H 5.214 9.183 -10.111 1.00 . A A . 1 ARG HH12 1 1 3 544 1 1 1 ARG HH21 H 5.854 5.857 -9.362 1.00 . A A . 1 ARG HH21 1 1 3 545 1 1 1 ARG HH22 H 6.137 7.152 -10.478 1.00 . A A . 1 ARG HH22 1 1 3 546 1 1 1 ARG N N 3.556 9.018 -4.573 1.00 . A A . 1 ARG N 1 1 3 547 1 1 1 ARG NE N 4.415 7.148 -7.822 1.00 . A A . 1 ARG NE 1 1 3 548 1 1 1 ARG NH1 N 4.788 8.838 -9.275 1.00 . A A . 1 ARG NH1 1 1 3 549 1 1 1 ARG NH2 N 5.712 6.808 -9.641 1.00 . A A . 1 ARG NH2 1 1 3 550 1 1 1 ARG O O 2.540 7.899 -2.244 1.00 . A A . 1 ARG O 1 1 3 551 1 1 2 GLN C C 0.599 6.080 -1.146 1.00 . A A . 2 GLN C 1 1 3 552 1 1 2 GLN CA C -0.056 7.271 -1.843 1.00 . A A . 2 GLN CA 1 1 3 553 1 1 2 GLN CB C -1.519 6.964 -2.154 1.00 . A A . 2 GLN CB 1 1 3 554 1 1 2 GLN CD C -1.977 9.367 -2.675 1.00 . A A . 2 GLN CD 1 1 3 555 1 1 2 GLN CG C -2.384 8.174 -1.807 1.00 . A A . 2 GLN CG 1 1 3 556 1 1 2 GLN H H 0.054 7.427 -3.992 1.00 . A A . 2 GLN H 1 1 3 557 1 1 2 GLN HA H 0.016 8.151 -1.230 1.00 . A A . 2 GLN HA 1 1 3 558 1 1 2 GLN HB2 H -1.624 6.735 -3.207 1.00 . A A . 2 GLN HB2 1 1 3 559 1 1 2 GLN HB3 H -1.841 6.116 -1.566 1.00 . A A . 2 GLN HB3 1 1 3 560 1 1 2 GLN HE21 H -1.335 10.443 -1.132 1.00 . A A . 2 GLN HE21 1 1 3 561 1 1 2 GLN HE22 H -1.194 11.194 -2.657 1.00 . A A . 2 GLN HE22 1 1 3 562 1 1 2 GLN HG2 H -3.418 7.931 -1.991 1.00 . A A . 2 GLN HG2 1 1 3 563 1 1 2 GLN HG3 H -2.249 8.427 -0.765 1.00 . A A . 2 GLN HG3 1 1 3 564 1 1 2 GLN N N 0.586 7.502 -3.171 1.00 . A A . 2 GLN N 1 1 3 565 1 1 2 GLN NE2 N -1.459 10.421 -2.108 1.00 . A A . 2 GLN NE2 1 1 3 566 1 1 2 GLN O O 0.862 6.113 0.037 1.00 . A A . 2 GLN O 1 1 3 567 1 1 2 GLN OE1 O -2.132 9.339 -3.880 1.00 . A A . 2 GLN OE1 1 1 3 568 1 1 3 ILE C C 1.003 3.472 0.076 1.00 . A A . 3 ILE C 1 1 3 569 1 1 3 ILE CA C 1.540 3.842 -1.317 1.00 . A A . 3 ILE CA 1 1 3 570 1 1 3 ILE CB C 3.018 4.222 -1.315 1.00 . A A . 3 ILE CB 1 1 3 571 1 1 3 ILE CD1 C 3.563 1.941 -0.515 1.00 . A A . 3 ILE CD1 1 1 3 572 1 1 3 ILE CG1 C 3.817 2.970 -1.616 1.00 . A A . 3 ILE CG1 1 1 3 573 1 1 3 ILE CG2 C 3.462 4.832 0.026 1.00 . A A . 3 ILE CG2 1 1 3 574 1 1 3 ILE H H 0.684 5.059 -2.837 1.00 . A A . 3 ILE H 1 1 3 575 1 1 3 ILE HA H 1.401 3.005 -1.989 1.00 . A A . 3 ILE HA 1 1 3 576 1 1 3 ILE HB H 3.180 4.938 -2.103 1.00 . A A . 3 ILE HB 1 1 3 577 1 1 3 ILE HD11 H 4.202 1.088 -0.660 1.00 . A A . 3 ILE HD11 1 1 3 578 1 1 3 ILE HD12 H 2.528 1.629 -0.548 1.00 . A A . 3 ILE HD12 1 1 3 579 1 1 3 ILE HD13 H 3.769 2.390 0.448 1.00 . A A . 3 ILE HD13 1 1 3 580 1 1 3 ILE HG12 H 3.483 2.577 -2.568 1.00 . A A . 3 ILE HG12 1 1 3 581 1 1 3 ILE HG13 H 4.870 3.206 -1.662 1.00 . A A . 3 ILE HG13 1 1 3 582 1 1 3 ILE HG21 H 4.105 5.679 -0.163 1.00 . A A . 3 ILE HG21 1 1 3 583 1 1 3 ILE HG22 H 4.003 4.093 0.596 1.00 . A A . 3 ILE HG22 1 1 3 584 1 1 3 ILE HG23 H 2.600 5.155 0.585 1.00 . A A . 3 ILE HG23 1 1 3 585 1 1 3 ILE N N 0.883 5.043 -1.886 1.00 . A A . 3 ILE N 1 1 3 586 1 1 3 ILE O O 1.739 3.065 0.953 1.00 . A A . 3 ILE O 1 1 3 587 1 1 4 LYS C C -1.794 2.033 1.409 1.00 . A A . 4 LYS C 1 1 3 588 1 1 4 LYS CA C -0.852 3.218 1.593 1.00 . A A . 4 LYS CA 1 1 3 589 1 1 4 LYS CB C -1.581 4.467 2.057 1.00 . A A . 4 LYS CB 1 1 3 590 1 1 4 LYS CD C -0.721 6.161 3.681 1.00 . A A . 4 LYS CD 1 1 3 591 1 1 4 LYS CE C 0.654 6.364 4.321 1.00 . A A . 4 LYS CE 1 1 3 592 1 1 4 LYS CG C -0.550 5.563 2.281 1.00 . A A . 4 LYS CG 1 1 3 593 1 1 4 LYS H H -0.862 3.904 -0.435 1.00 . A A . 4 LYS H 1 1 3 594 1 1 4 LYS HA H -0.067 2.967 2.286 1.00 . A A . 4 LYS HA 1 1 3 595 1 1 4 LYS HB2 H -2.294 4.777 1.307 1.00 . A A . 4 LYS HB2 1 1 3 596 1 1 4 LYS HB3 H -2.079 4.263 2.972 1.00 . A A . 4 LYS HB3 1 1 3 597 1 1 4 LYS HD2 H -1.229 7.112 3.606 1.00 . A A . 4 LYS HD2 1 1 3 598 1 1 4 LYS HD3 H -1.303 5.489 4.292 1.00 . A A . 4 LYS HD3 1 1 3 599 1 1 4 LYS HE2 H 0.546 6.691 5.346 1.00 . A A . 4 LYS HE2 1 1 3 600 1 1 4 LYS HE3 H 1.230 5.453 4.273 1.00 . A A . 4 LYS HE3 1 1 3 601 1 1 4 LYS HG2 H 0.434 5.130 2.189 1.00 . A A . 4 LYS HG2 1 1 3 602 1 1 4 LYS HG3 H -0.678 6.338 1.540 1.00 . A A . 4 LYS HG3 1 1 3 603 1 1 4 LYS HZ1 H 1.470 7.066 2.538 1.00 . A A . 4 LYS HZ1 1 1 3 604 1 1 4 LYS HZ2 H 2.215 7.686 3.934 1.00 . A A . 4 LYS HZ2 1 1 3 605 1 1 4 LYS HZ3 H 0.689 8.259 3.457 1.00 . A A . 4 LYS HZ3 1 1 3 606 1 1 4 LYS N N -0.277 3.588 0.278 1.00 . A A . 4 LYS N 1 1 3 607 1 1 4 LYS NZ N 1.306 7.424 3.501 1.00 . A A . 4 LYS NZ 1 1 3 608 1 1 4 LYS O O -1.732 1.061 2.136 1.00 . A A . 4 LYS O 1 1 3 609 1 1 5 ILE C C -2.631 -0.200 -0.400 1.00 . A A . 5 ILE C 1 1 3 610 1 1 5 ILE CA C -3.519 0.922 0.128 1.00 . A A . 5 ILE CA 1 1 3 611 1 1 5 ILE CB C -4.486 1.401 -0.955 1.00 . A A . 5 ILE CB 1 1 3 612 1 1 5 ILE CD1 C -5.722 3.437 -1.677 1.00 . A A . 5 ILE CD1 1 1 3 613 1 1 5 ILE CG1 C -5.228 2.642 -0.470 1.00 . A A . 5 ILE CG1 1 1 3 614 1 1 5 ILE CG2 C -5.495 0.296 -1.269 1.00 . A A . 5 ILE CG2 1 1 3 615 1 1 5 ILE H H -2.617 2.850 -0.197 1.00 . A A . 5 ILE H 1 1 3 616 1 1 5 ILE HA H -4.049 0.618 1.018 1.00 . A A . 5 ILE HA 1 1 3 617 1 1 5 ILE HB H -3.929 1.645 -1.845 1.00 . A A . 5 ILE HB 1 1 3 618 1 1 5 ILE HD11 H -6.170 2.761 -2.392 1.00 . A A . 5 ILE HD11 1 1 3 619 1 1 5 ILE HD12 H -4.889 3.946 -2.137 1.00 . A A . 5 ILE HD12 1 1 3 620 1 1 5 ILE HD13 H -6.455 4.161 -1.357 1.00 . A A . 5 ILE HD13 1 1 3 621 1 1 5 ILE HG12 H -6.069 2.347 0.142 1.00 . A A . 5 ILE HG12 1 1 3 622 1 1 5 ILE HG13 H -4.556 3.254 0.108 1.00 . A A . 5 ILE HG13 1 1 3 623 1 1 5 ILE HG21 H -5.941 -0.057 -0.351 1.00 . A A . 5 ILE HG21 1 1 3 624 1 1 5 ILE HG22 H -4.990 -0.523 -1.761 1.00 . A A . 5 ILE HG22 1 1 3 625 1 1 5 ILE HG23 H -6.265 0.685 -1.918 1.00 . A A . 5 ILE HG23 1 1 3 626 1 1 5 ILE N N -2.622 2.079 0.403 1.00 . A A . 5 ILE N 1 1 3 627 1 1 5 ILE O O -2.828 -1.366 -0.124 1.00 . A A . 5 ILE O 1 1 3 628 1 1 6 TRP C C 0.036 -1.489 -0.529 1.00 . A A . 6 TRP C 1 1 3 629 1 1 6 TRP CA C -0.645 -0.793 -1.681 1.00 . A A . 6 TRP CA 1 1 3 630 1 1 6 TRP CB C 0.385 0.065 -2.418 1.00 . A A . 6 TRP CB 1 1 3 631 1 1 6 TRP CD1 C -0.127 0.024 -4.837 1.00 . A A . 6 TRP CD1 1 1 3 632 1 1 6 TRP CD2 C -0.957 1.838 -3.841 1.00 . A A . 6 TRP CD2 1 1 3 633 1 1 6 TRP CE2 C -1.317 1.930 -5.203 1.00 . A A . 6 TRP CE2 1 1 3 634 1 1 6 TRP CE3 C -1.356 2.862 -2.973 1.00 . A A . 6 TRP CE3 1 1 3 635 1 1 6 TRP CG C -0.211 0.613 -3.650 1.00 . A A . 6 TRP CG 1 1 3 636 1 1 6 TRP CH2 C -2.443 4.023 -4.819 1.00 . A A . 6 TRP CH2 1 1 3 637 1 1 6 TRP CZ2 C -2.049 3.006 -5.693 1.00 . A A . 6 TRP CZ2 1 1 3 638 1 1 6 TRP CZ3 C -2.096 3.953 -3.460 1.00 . A A . 6 TRP CZ3 1 1 3 639 1 1 6 TRP H H -1.491 1.138 -1.303 1.00 . A A . 6 TRP H 1 1 3 640 1 1 6 TRP HA H -1.116 -1.492 -2.338 1.00 . A A . 6 TRP HA 1 1 3 641 1 1 6 TRP HB2 H 0.693 0.876 -1.788 1.00 . A A . 6 TRP HB2 1 1 3 642 1 1 6 TRP HB3 H 1.244 -0.537 -2.671 1.00 . A A . 6 TRP HB3 1 1 3 643 1 1 6 TRP HD1 H 0.372 -0.898 -5.015 1.00 . A A . 6 TRP HD1 1 1 3 644 1 1 6 TRP HE1 H -0.872 0.576 -6.722 1.00 . A A . 6 TRP HE1 1 1 3 645 1 1 6 TRP HE3 H -1.086 2.808 -1.925 1.00 . A A . 6 TRP HE3 1 1 3 646 1 1 6 TRP HH2 H -3.011 4.862 -5.190 1.00 . A A . 6 TRP HH2 1 1 3 647 1 1 6 TRP HZ2 H -2.310 3.049 -6.738 1.00 . A A . 6 TRP HZ2 1 1 3 648 1 1 6 TRP HZ3 H -2.402 4.738 -2.787 1.00 . A A . 6 TRP HZ3 1 1 3 649 1 1 6 TRP N N -1.621 0.185 -1.133 1.00 . A A . 6 TRP N 1 1 3 650 1 1 6 TRP NE1 N -0.784 0.793 -5.772 1.00 . A A . 6 TRP NE1 1 1 3 651 1 1 6 TRP O O -0.012 -2.693 -0.372 1.00 . A A . 6 TRP O 1 1 3 652 1 1 7 PHE C C 0.364 -2.130 2.277 1.00 . A A . 7 PHE C 1 1 3 653 1 1 7 PHE CA C 1.339 -1.243 1.497 1.00 . A A . 7 PHE CA 1 1 3 654 1 1 7 PHE CB C 1.708 -0.004 2.317 1.00 . A A . 7 PHE CB 1 1 3 655 1 1 7 PHE CD1 C 3.332 -1.267 3.773 1.00 . A A . 7 PHE CD1 1 1 3 656 1 1 7 PHE CD2 C 1.592 0.046 4.834 1.00 . A A . 7 PHE CD2 1 1 3 657 1 1 7 PHE CE1 C 3.811 -1.650 5.032 1.00 . A A . 7 PHE CE1 1 1 3 658 1 1 7 PHE CE2 C 2.071 -0.336 6.093 1.00 . A A . 7 PHE CE2 1 1 3 659 1 1 7 PHE CG C 2.224 -0.419 3.674 1.00 . A A . 7 PHE CG 1 1 3 660 1 1 7 PHE CZ C 3.181 -1.184 6.192 1.00 . A A . 7 PHE CZ 1 1 3 661 1 1 7 PHE H H 0.630 0.268 0.118 1.00 . A A . 7 PHE H 1 1 3 662 1 1 7 PHE HA H 2.225 -1.792 1.220 1.00 . A A . 7 PHE HA 1 1 3 663 1 1 7 PHE HB2 H 2.470 0.558 1.798 1.00 . A A . 7 PHE HB2 1 1 3 664 1 1 7 PHE HB3 H 0.831 0.615 2.443 1.00 . A A . 7 PHE HB3 1 1 3 665 1 1 7 PHE HD1 H 3.815 -1.628 2.877 1.00 . A A . 7 PHE HD1 1 1 3 666 1 1 7 PHE HD2 H 0.734 0.700 4.757 1.00 . A A . 7 PHE HD2 1 1 3 667 1 1 7 PHE HE1 H 4.666 -2.304 5.108 1.00 . A A . 7 PHE HE1 1 1 3 668 1 1 7 PHE HE2 H 1.583 0.023 6.988 1.00 . A A . 7 PHE HE2 1 1 3 669 1 1 7 PHE HZ H 3.550 -1.479 7.163 1.00 . A A . 7 PHE HZ 1 1 3 670 1 1 7 PHE N N 0.648 -0.701 0.292 1.00 . A A . 7 PHE N 1 1 3 671 1 1 7 PHE O O 0.753 -2.934 3.101 1.00 . A A . 7 PHE O 1 1 3 672 1 1 8 ARG C C -2.308 -4.010 1.949 1.00 . A A . 8 ARG C 1 1 3 673 1 1 8 ARG CA C -1.933 -2.747 2.735 1.00 . A A . 8 ARG CA 1 1 3 674 1 1 8 ARG CB C -3.095 -1.775 2.796 1.00 . A A . 8 ARG CB 1 1 3 675 1 1 8 ARG CD C -3.101 -1.740 5.257 1.00 . A A . 8 ARG CD 1 1 3 676 1 1 8 ARG CG C -3.940 -2.068 4.023 1.00 . A A . 8 ARG CG 1 1 3 677 1 1 8 ARG CZ C -3.564 -0.409 7.227 1.00 . A A . 8 ARG CZ 1 1 3 678 1 1 8 ARG H H -1.192 -1.294 1.371 1.00 . A A . 8 ARG H 1 1 3 679 1 1 8 ARG HA H -1.609 -2.990 3.730 1.00 . A A . 8 ARG HA 1 1 3 680 1 1 8 ARG HB2 H -2.697 -0.776 2.873 1.00 . A A . 8 ARG HB2 1 1 3 681 1 1 8 ARG HB3 H -3.686 -1.861 1.902 1.00 . A A . 8 ARG HB3 1 1 3 682 1 1 8 ARG HD2 H -2.975 -2.621 5.869 1.00 . A A . 8 ARG HD2 1 1 3 683 1 1 8 ARG HD3 H -2.139 -1.348 4.951 1.00 . A A . 8 ARG HD3 1 1 3 684 1 1 8 ARG HE H -4.603 -0.221 5.545 1.00 . A A . 8 ARG HE 1 1 3 685 1 1 8 ARG HG2 H -4.831 -1.456 4.008 1.00 . A A . 8 ARG HG2 1 1 3 686 1 1 8 ARG HG3 H -4.213 -3.112 4.039 1.00 . A A . 8 ARG HG3 1 1 3 687 1 1 8 ARG HH11 H -2.072 0.831 6.733 1.00 . A A . 8 ARG HH11 1 1 3 688 1 1 8 ARG HH12 H -2.353 0.635 8.430 1.00 . A A . 8 ARG HH12 1 1 3 689 1 1 8 ARG HH21 H -4.984 -1.583 8.012 1.00 . A A . 8 ARG HH21 1 1 3 690 1 1 8 ARG HH22 H -4.000 -0.731 9.155 1.00 . A A . 8 ARG HH22 1 1 3 691 1 1 8 ARG N N -0.905 -1.963 2.027 1.00 . A A . 8 ARG N 1 1 3 692 1 1 8 ARG NE N -3.870 -0.695 5.991 1.00 . A A . 8 ARG NE 1 1 3 693 1 1 8 ARG NH1 N -2.588 0.417 7.483 1.00 . A A . 8 ARG NH1 1 1 3 694 1 1 8 ARG NH2 N -4.235 -0.950 8.207 1.00 . A A . 8 ARG NH2 1 1 3 695 1 1 8 ARG O O -2.945 -4.904 2.469 1.00 . A A . 8 ARG O 1 1 3 696 1 1 9 LYS C C -1.123 -6.322 -0.012 1.00 . A A . 9 LYS C 1 1 3 697 1 1 9 LYS CA C -2.257 -5.299 -0.106 1.00 . A A . 9 LYS CA 1 1 3 698 1 1 9 LYS CB C -2.405 -4.783 -1.538 1.00 . A A . 9 LYS CB 1 1 3 699 1 1 9 LYS CD C -4.898 -4.982 -1.578 1.00 . A A . 9 LYS CD 1 1 3 700 1 1 9 LYS CE C -6.201 -4.229 -1.858 1.00 . A A . 9 LYS CE 1 1 3 701 1 1 9 LYS CG C -3.719 -4.011 -1.672 1.00 . A A . 9 LYS CG 1 1 3 702 1 1 9 LYS H H -1.404 -3.365 0.297 1.00 . A A . 9 LYS H 1 1 3 703 1 1 9 LYS HA H -3.186 -5.732 0.231 1.00 . A A . 9 LYS HA 1 1 3 704 1 1 9 LYS HB2 H -1.579 -4.125 -1.769 1.00 . A A . 9 LYS HB2 1 1 3 705 1 1 9 LYS HB3 H -2.409 -5.618 -2.223 1.00 . A A . 9 LYS HB3 1 1 3 706 1 1 9 LYS HD2 H -4.773 -5.771 -2.305 1.00 . A A . 9 LYS HD2 1 1 3 707 1 1 9 LYS HD3 H -4.936 -5.407 -0.587 1.00 . A A . 9 LYS HD3 1 1 3 708 1 1 9 LYS HE2 H -6.254 -3.335 -1.251 1.00 . A A . 9 LYS HE2 1 1 3 709 1 1 9 LYS HE3 H -6.274 -3.980 -2.905 1.00 . A A . 9 LYS HE3 1 1 3 710 1 1 9 LYS HG2 H -3.787 -3.281 -0.879 1.00 . A A . 9 LYS HG2 1 1 3 711 1 1 9 LYS HG3 H -3.745 -3.508 -2.627 1.00 . A A . 9 LYS HG3 1 1 3 712 1 1 9 LYS HZ1 H -7.215 -5.400 -0.468 1.00 . A A . 9 LYS HZ1 1 1 3 713 1 1 9 LYS HZ2 H -7.179 -6.057 -2.034 1.00 . A A . 9 LYS HZ2 1 1 3 714 1 1 9 LYS HZ3 H -8.207 -4.752 -1.682 1.00 . A A . 9 LYS HZ3 1 1 3 715 1 1 9 LYS N N -1.919 -4.092 0.703 1.00 . A A . 9 LYS N 1 1 3 716 1 1 9 LYS NZ N -7.282 -5.182 -1.482 1.00 . A A . 9 LYS NZ 1 1 3 717 1 1 9 LYS O O -1.224 -7.315 0.681 1.00 . A A . 9 LYS O 1 1 3 718 1 1 10 TRP C C 1.991 -6.683 0.552 1.00 . A A . 10 TRP C 1 1 3 719 1 1 10 TRP CA C 1.105 -7.021 -0.660 1.00 . A A . 10 TRP CA 1 1 3 720 1 1 10 TRP CB C 1.848 -6.772 -1.979 1.00 . A A . 10 TRP CB 1 1 3 721 1 1 10 TRP CD1 C 1.026 -5.802 -4.144 1.00 . A A . 10 TRP CD1 1 1 3 722 1 1 10 TRP CD2 C -0.344 -7.394 -3.359 1.00 . A A . 10 TRP CD2 1 1 3 723 1 1 10 TRP CE2 C -0.911 -6.940 -4.567 1.00 . A A . 10 TRP CE2 1 1 3 724 1 1 10 TRP CE3 C -1.010 -8.398 -2.657 1.00 . A A . 10 TRP CE3 1 1 3 725 1 1 10 TRP CG C 0.888 -6.660 -3.117 1.00 . A A . 10 TRP CG 1 1 3 726 1 1 10 TRP CH2 C -2.758 -8.474 -4.347 1.00 . A A . 10 TRP CH2 1 1 3 727 1 1 10 TRP CZ2 C -2.103 -7.469 -5.062 1.00 . A A . 10 TRP CZ2 1 1 3 728 1 1 10 TRP CZ3 C -2.211 -8.938 -3.144 1.00 . A A . 10 TRP CZ3 1 1 3 729 1 1 10 TRP H H 0.021 -5.275 -1.250 1.00 . A A . 10 TRP H 1 1 3 730 1 1 10 TRP HA H 0.762 -8.042 -0.609 1.00 . A A . 10 TRP HA 1 1 3 731 1 1 10 TRP HB2 H 2.394 -5.844 -1.907 1.00 . A A . 10 TRP HB2 1 1 3 732 1 1 10 TRP HB3 H 2.535 -7.581 -2.165 1.00 . A A . 10 TRP HB3 1 1 3 733 1 1 10 TRP HD1 H 1.840 -5.097 -4.268 1.00 . A A . 10 TRP HD1 1 1 3 734 1 1 10 TRP HE1 H -0.180 -5.478 -5.828 1.00 . A A . 10 TRP HE1 1 1 3 735 1 1 10 TRP HE3 H -0.597 -8.752 -1.738 1.00 . A A . 10 TRP HE3 1 1 3 736 1 1 10 TRP HH2 H -3.681 -8.891 -4.720 1.00 . A A . 10 TRP HH2 1 1 3 737 1 1 10 TRP HZ2 H -2.516 -7.104 -5.991 1.00 . A A . 10 TRP HZ2 1 1 3 738 1 1 10 TRP HZ3 H -2.715 -9.716 -2.589 1.00 . A A . 10 TRP HZ3 1 1 3 739 1 1 10 TRP N N -0.042 -6.080 -0.703 1.00 . A A . 10 TRP N 1 1 3 740 1 1 10 TRP NE1 N -0.041 -5.970 -5.007 1.00 . A A . 10 TRP NE1 1 1 3 741 1 1 10 TRP O O 1.587 -6.836 1.688 1.00 . A A . 10 TRP O 1 1 3 742 1 1 11 LYS C C 5.112 -4.852 0.838 1.00 . A A . 11 LYS C 1 1 3 743 1 1 11 LYS CA C 4.093 -5.819 1.421 1.00 . A A . 11 LYS CA 1 1 3 744 1 1 11 LYS CB C 4.771 -7.109 1.890 1.00 . A A . 11 LYS CB 1 1 3 745 1 1 11 LYS CD C 4.394 -8.856 0.164 1.00 . A A . 11 LYS CD 1 1 3 746 1 1 11 LYS CE C 4.482 -8.919 -1.363 1.00 . A A . 11 LYS CE 1 1 3 747 1 1 11 LYS CG C 5.389 -7.828 0.693 1.00 . A A . 11 LYS CG 1 1 3 748 1 1 11 LYS H H 3.481 -6.060 -0.607 1.00 . A A . 11 LYS H 1 1 3 749 1 1 11 LYS HA H 3.543 -5.368 2.224 1.00 . A A . 11 LYS HA 1 1 3 750 1 1 11 LYS HB2 H 5.544 -6.869 2.605 1.00 . A A . 11 LYS HB2 1 1 3 751 1 1 11 LYS HB3 H 4.037 -7.752 2.354 1.00 . A A . 11 LYS HB3 1 1 3 752 1 1 11 LYS HD2 H 4.624 -9.827 0.580 1.00 . A A . 11 LYS HD2 1 1 3 753 1 1 11 LYS HD3 H 3.397 -8.564 0.456 1.00 . A A . 11 LYS HD3 1 1 3 754 1 1 11 LYS HE2 H 3.594 -9.382 -1.770 1.00 . A A . 11 LYS HE2 1 1 3 755 1 1 11 LYS HE3 H 4.615 -7.930 -1.773 1.00 . A A . 11 LYS HE3 1 1 3 756 1 1 11 LYS HG2 H 5.613 -7.106 -0.080 1.00 . A A . 11 LYS HG2 1 1 3 757 1 1 11 LYS HG3 H 6.297 -8.327 0.998 1.00 . A A . 11 LYS HG3 1 1 3 758 1 1 11 LYS HZ1 H 5.485 -10.743 -1.393 1.00 . A A . 11 LYS HZ1 1 1 3 759 1 1 11 LYS HZ2 H 6.486 -9.407 -1.078 1.00 . A A . 11 LYS HZ2 1 1 3 760 1 1 11 LYS HZ3 H 5.919 -9.694 -2.654 1.00 . A A . 11 LYS HZ3 1 1 3 761 1 1 11 LYS N N 3.182 -6.200 0.314 1.00 . A A . 11 LYS N 1 1 3 762 1 1 11 LYS NZ N 5.684 -9.753 -1.644 1.00 . A A . 11 LYS NZ 1 1 3 763 1 1 11 LYS O O 6.276 -4.863 1.186 1.00 . A A . 11 LYS O 1 1 3 764 1 1 12 LYS C C 6.668 -2.562 0.145 1.00 . A A . 12 LYS C 1 1 3 765 1 1 12 LYS CA C 5.561 -3.079 -0.783 1.00 . A A . 12 LYS CA 1 1 3 766 1 1 12 LYS CB C 4.658 -1.934 -1.217 1.00 . A A . 12 LYS CB 1 1 3 767 1 1 12 LYS CD C 3.086 -3.044 -2.812 1.00 . A A . 12 LYS CD 1 1 3 768 1 1 12 LYS CE C 2.263 -2.649 -4.043 1.00 . A A . 12 LYS CE 1 1 3 769 1 1 12 LYS CG C 4.291 -2.113 -2.691 1.00 . A A . 12 LYS CG 1 1 3 770 1 1 12 LYS H H 3.724 -4.095 -0.363 1.00 . A A . 12 LYS H 1 1 3 771 1 1 12 LYS HA H 5.975 -3.542 -1.655 1.00 . A A . 12 LYS HA 1 1 3 772 1 1 12 LYS HB2 H 3.763 -1.926 -0.614 1.00 . A A . 12 LYS HB2 1 1 3 773 1 1 12 LYS HB3 H 5.188 -1.010 -1.096 1.00 . A A . 12 LYS HB3 1 1 3 774 1 1 12 LYS HD2 H 3.429 -4.064 -2.918 1.00 . A A . 12 LYS HD2 1 1 3 775 1 1 12 LYS HD3 H 2.476 -2.959 -1.927 1.00 . A A . 12 LYS HD3 1 1 3 776 1 1 12 LYS HE2 H 2.343 -1.585 -4.219 1.00 . A A . 12 LYS HE2 1 1 3 777 1 1 12 LYS HE3 H 2.597 -3.199 -4.909 1.00 . A A . 12 LYS HE3 1 1 3 778 1 1 12 LYS HG2 H 4.050 -1.153 -3.122 1.00 . A A . 12 LYS HG2 1 1 3 779 1 1 12 LYS HG3 H 5.128 -2.545 -3.217 1.00 . A A . 12 LYS HG3 1 1 3 780 1 1 12 LYS HZ1 H 0.836 -3.677 -2.915 1.00 . A A . 12 LYS HZ1 1 1 3 781 1 1 12 LYS HZ2 H 0.415 -3.467 -4.548 1.00 . A A . 12 LYS HZ2 1 1 3 782 1 1 12 LYS HZ3 H 0.322 -2.160 -3.472 1.00 . A A . 12 LYS HZ3 1 1 3 783 1 1 12 LYS N N 4.664 -4.043 -0.093 1.00 . A A . 12 LYS N 1 1 3 784 1 1 12 LYS NZ N 0.853 -3.016 -3.719 1.00 . A A . 12 LYS NZ 1 1 3 785 1 1 12 LYS O O 6.402 -1.639 0.896 1.00 . A A . 12 LYS O 1 1 3 786 1 1 12 LYS OXT O 7.762 -3.099 0.085 1.00 . A A . 12 LYS OXT 1 1 4 787 1 1 1 ARG C C 2.526 7.706 -2.900 1.00 . A A . 1 ARG C 1 1 4 788 1 1 1 ARG CA C 3.350 7.867 -4.180 1.00 . A A . 1 ARG CA 1 1 4 789 1 1 1 ARG CB C 4.689 8.551 -3.884 1.00 . A A . 1 ARG CB 1 1 4 790 1 1 1 ARG CD C 6.450 6.831 -3.456 1.00 . A A . 1 ARG CD 1 1 4 791 1 1 1 ARG CG C 5.830 7.754 -4.505 1.00 . A A . 1 ARG CG 1 1 4 792 1 1 1 ARG CZ C 5.950 4.506 -3.001 1.00 . A A . 1 ARG CZ 1 1 4 793 1 1 1 ARG H1 H 3.206 8.871 -6.001 1.00 . A A . 1 ARG H1 1 1 4 794 1 1 1 ARG H2 H 2.546 9.721 -4.687 1.00 . A A . 1 ARG H2 1 1 4 795 1 1 1 ARG H3 H 1.712 8.399 -5.353 1.00 . A A . 1 ARG H3 1 1 4 796 1 1 1 ARG HA H 3.519 6.908 -4.645 1.00 . A A . 1 ARG HA 1 1 4 797 1 1 1 ARG HB2 H 4.682 9.548 -4.299 1.00 . A A . 1 ARG HB2 1 1 4 798 1 1 1 ARG HB3 H 4.841 8.611 -2.822 1.00 . A A . 1 ARG HB3 1 1 4 799 1 1 1 ARG HD2 H 7.423 6.490 -3.785 1.00 . A A . 1 ARG HD2 1 1 4 800 1 1 1 ARG HD3 H 6.531 7.344 -2.513 1.00 . A A . 1 ARG HD3 1 1 4 801 1 1 1 ARG HE H 4.557 5.819 -3.519 1.00 . A A . 1 ARG HE 1 1 4 802 1 1 1 ARG HG2 H 5.459 7.167 -5.332 1.00 . A A . 1 ARG HG2 1 1 4 803 1 1 1 ARG HG3 H 6.576 8.436 -4.851 1.00 . A A . 1 ARG HG3 1 1 4 804 1 1 1 ARG HH11 H 7.314 5.213 -1.717 1.00 . A A . 1 ARG HH11 1 1 4 805 1 1 1 ARG HH12 H 7.251 3.488 -1.869 1.00 . A A . 1 ARG HH12 1 1 4 806 1 1 1 ARG HH21 H 4.691 3.522 -4.206 1.00 . A A . 1 ARG HH21 1 1 4 807 1 1 1 ARG HH22 H 5.766 2.531 -3.278 1.00 . A A . 1 ARG HH22 1 1 4 808 1 1 1 ARG N N 2.651 8.783 -5.127 1.00 . A A . 1 ARG N 1 1 4 809 1 1 1 ARG NE N 5.508 5.687 -3.340 1.00 . A A . 1 ARG NE 1 1 4 810 1 1 1 ARG NH1 N 6.914 4.394 -2.127 1.00 . A A . 1 ARG NH1 1 1 4 811 1 1 1 ARG NH2 N 5.428 3.437 -3.537 1.00 . A A . 1 ARG NH2 1 1 4 812 1 1 1 ARG O O 2.959 8.058 -1.820 1.00 . A A . 1 ARG O 1 1 4 813 1 1 2 GLN C C 0.953 5.786 -0.997 1.00 . A A . 2 GLN C 1 1 4 814 1 1 2 GLN CA C 0.479 6.988 -1.807 1.00 . A A . 2 GLN CA 1 1 4 815 1 1 2 GLN CB C -0.924 6.740 -2.353 1.00 . A A . 2 GLN CB 1 1 4 816 1 1 2 GLN CD C -1.131 9.081 -3.199 1.00 . A A . 2 GLN CD 1 1 4 817 1 1 2 GLN CG C -1.740 8.028 -2.274 1.00 . A A . 2 GLN CG 1 1 4 818 1 1 2 GLN H H 1.009 6.898 -3.895 1.00 . A A . 2 GLN H 1 1 4 819 1 1 2 GLN HA H 0.486 7.876 -1.199 1.00 . A A . 2 GLN HA 1 1 4 820 1 1 2 GLN HB2 H -0.857 6.417 -3.384 1.00 . A A . 2 GLN HB2 1 1 4 821 1 1 2 GLN HB3 H -1.408 5.973 -1.765 1.00 . A A . 2 GLN HB3 1 1 4 822 1 1 2 GLN HE21 H -1.123 10.499 -1.806 1.00 . A A . 2 GLN HE21 1 1 4 823 1 1 2 GLN HE22 H -0.510 10.965 -3.327 1.00 . A A . 2 GLN HE22 1 1 4 824 1 1 2 GLN HG2 H -2.755 7.824 -2.579 1.00 . A A . 2 GLN HG2 1 1 4 825 1 1 2 GLN HG3 H -1.734 8.399 -1.259 1.00 . A A . 2 GLN HG3 1 1 4 826 1 1 2 GLN N N 1.338 7.174 -3.014 1.00 . A A . 2 GLN N 1 1 4 827 1 1 2 GLN NE2 N -0.902 10.282 -2.740 1.00 . A A . 2 GLN NE2 1 1 4 828 1 1 2 GLN O O 1.026 5.832 0.212 1.00 . A A . 2 GLN O 1 1 4 829 1 1 2 GLN OE1 O -0.860 8.811 -4.353 1.00 . A A . 2 GLN OE1 1 1 4 830 1 1 3 ILE C C 1.030 3.198 0.325 1.00 . A A . 3 ILE C 1 1 4 831 1 1 3 ILE CA C 1.788 3.499 -0.982 1.00 . A A . 3 ILE CA 1 1 4 832 1 1 3 ILE CB C 3.269 3.792 -0.766 1.00 . A A . 3 ILE CB 1 1 4 833 1 1 3 ILE CD1 C 3.539 1.501 0.145 1.00 . A A . 3 ILE CD1 1 1 4 834 1 1 3 ILE CG1 C 4.024 2.486 -0.920 1.00 . A A . 3 ILE CG1 1 1 4 835 1 1 3 ILE CG2 C 3.543 4.412 0.612 1.00 . A A . 3 ILE CG2 1 1 4 836 1 1 3 ILE H H 1.250 4.720 -2.636 1.00 . A A . 3 ILE H 1 1 4 837 1 1 3 ILE HA H 1.698 2.654 -1.650 1.00 . A A . 3 ILE HA 1 1 4 838 1 1 3 ILE HB H 3.590 4.473 -1.535 1.00 . A A . 3 ILE HB 1 1 4 839 1 1 3 ILE HD11 H 3.622 1.961 1.121 1.00 . A A . 3 ILE HD11 1 1 4 840 1 1 3 ILE HD12 H 4.139 0.608 0.114 1.00 . A A . 3 ILE HD12 1 1 4 841 1 1 3 ILE HD13 H 2.504 1.250 -0.044 1.00 . A A . 3 ILE HD13 1 1 4 842 1 1 3 ILE HG12 H 3.814 2.089 -1.904 1.00 . A A . 3 ILE HG12 1 1 4 843 1 1 3 ILE HG13 H 5.084 2.656 -0.805 1.00 . A A . 3 ILE HG13 1 1 4 844 1 1 3 ILE HG21 H 2.644 4.867 0.993 1.00 . A A . 3 ILE HG21 1 1 4 845 1 1 3 ILE HG22 H 4.312 5.165 0.519 1.00 . A A . 3 ILE HG22 1 1 4 846 1 1 3 ILE HG23 H 3.875 3.644 1.293 1.00 . A A . 3 ILE HG23 1 1 4 847 1 1 3 ILE N N 1.294 4.717 -1.666 1.00 . A A . 3 ILE N 1 1 4 848 1 1 3 ILE O O 1.602 2.769 1.307 1.00 . A A . 3 ILE O 1 1 4 849 1 1 4 LYS C C -2.016 1.957 1.245 1.00 . A A . 4 LYS C 1 1 4 850 1 1 4 LYS CA C -1.040 3.087 1.555 1.00 . A A . 4 LYS CA 1 1 4 851 1 1 4 LYS CB C -1.752 4.386 1.892 1.00 . A A . 4 LYS CB 1 1 4 852 1 1 4 LYS CD C -1.039 6.070 3.600 1.00 . A A . 4 LYS CD 1 1 4 853 1 1 4 LYS CE C 0.016 5.668 4.635 1.00 . A A . 4 LYS CE 1 1 4 854 1 1 4 LYS CG C -0.704 5.430 2.247 1.00 . A A . 4 LYS CG 1 1 4 855 1 1 4 LYS H H -0.711 3.722 -0.463 1.00 . A A . 4 LYS H 1 1 4 856 1 1 4 LYS HA H -0.383 2.804 2.360 1.00 . A A . 4 LYS HA 1 1 4 857 1 1 4 LYS HB2 H -2.333 4.719 1.044 1.00 . A A . 4 LYS HB2 1 1 4 858 1 1 4 LYS HB3 H -2.388 4.229 2.729 1.00 . A A . 4 LYS HB3 1 1 4 859 1 1 4 LYS HD2 H -1.047 7.146 3.494 1.00 . A A . 4 LYS HD2 1 1 4 860 1 1 4 LYS HD3 H -2.011 5.735 3.930 1.00 . A A . 4 LYS HD3 1 1 4 861 1 1 4 LYS HE2 H -0.026 4.602 4.815 1.00 . A A . 4 LYS HE2 1 1 4 862 1 1 4 LYS HE3 H 0.999 5.958 4.302 1.00 . A A . 4 LYS HE3 1 1 4 863 1 1 4 LYS HG2 H 0.257 4.942 2.305 1.00 . A A . 4 LYS HG2 1 1 4 864 1 1 4 LYS HG3 H -0.680 6.192 1.485 1.00 . A A . 4 LYS HG3 1 1 4 865 1 1 4 LYS HZ1 H 0.370 6.259 6.599 1.00 . A A . 4 LYS HZ1 1 1 4 866 1 1 4 LYS HZ2 H -1.276 6.092 6.211 1.00 . A A . 4 LYS HZ2 1 1 4 867 1 1 4 LYS HZ3 H -0.400 7.435 5.652 1.00 . A A . 4 LYS HZ3 1 1 4 868 1 1 4 LYS N N -0.256 3.393 0.335 1.00 . A A . 4 LYS N 1 1 4 869 1 1 4 LYS NZ N -0.350 6.420 5.867 1.00 . A A . 4 LYS NZ 1 1 4 870 1 1 4 LYS O O -2.123 0.995 1.980 1.00 . A A . 4 LYS O 1 1 4 871 1 1 5 ILE C C -2.709 -0.252 -0.652 1.00 . A A . 5 ILE C 1 1 4 872 1 1 5 ILE CA C -3.593 0.931 -0.275 1.00 . A A . 5 ILE CA 1 1 4 873 1 1 5 ILE CB C -4.353 1.447 -1.498 1.00 . A A . 5 ILE CB 1 1 4 874 1 1 5 ILE CD1 C -5.284 3.558 -2.430 1.00 . A A . 5 ILE CD1 1 1 4 875 1 1 5 ILE CG1 C -5.065 2.752 -1.151 1.00 . A A . 5 ILE CG1 1 1 4 876 1 1 5 ILE CG2 C -5.382 0.407 -1.942 1.00 . A A . 5 ILE CG2 1 1 4 877 1 1 5 ILE H H -2.535 2.795 -0.473 1.00 . A A . 5 ILE H 1 1 4 878 1 1 5 ILE HA H -4.271 0.676 0.526 1.00 . A A . 5 ILE HA 1 1 4 879 1 1 5 ILE HB H -3.654 1.627 -2.298 1.00 . A A . 5 ILE HB 1 1 4 880 1 1 5 ILE HD11 H -4.426 4.190 -2.607 1.00 . A A . 5 ILE HD11 1 1 4 881 1 1 5 ILE HD12 H -6.167 4.169 -2.325 1.00 . A A . 5 ILE HD12 1 1 4 882 1 1 5 ILE HD13 H -5.410 2.882 -3.263 1.00 . A A . 5 ILE HD13 1 1 4 883 1 1 5 ILE HG12 H -6.017 2.535 -0.689 1.00 . A A . 5 ILE HG12 1 1 4 884 1 1 5 ILE HG13 H -4.454 3.320 -0.474 1.00 . A A . 5 ILE HG13 1 1 4 885 1 1 5 ILE HG21 H -5.483 0.437 -3.016 1.00 . A A . 5 ILE HG21 1 1 4 886 1 1 5 ILE HG22 H -6.336 0.625 -1.484 1.00 . A A . 5 ILE HG22 1 1 4 887 1 1 5 ILE HG23 H -5.054 -0.576 -1.638 1.00 . A A . 5 ILE HG23 1 1 4 888 1 1 5 ILE N N -2.679 2.036 0.125 1.00 . A A . 5 ILE N 1 1 4 889 1 1 5 ILE O O -3.034 -1.402 -0.433 1.00 . A A . 5 ILE O 1 1 4 890 1 1 6 TRP C C -0.097 -1.673 -0.322 1.00 . A A . 6 TRP C 1 1 4 891 1 1 6 TRP CA C -0.580 -0.989 -1.576 1.00 . A A . 6 TRP CA 1 1 4 892 1 1 6 TRP CB C 0.584 -0.217 -2.196 1.00 . A A . 6 TRP CB 1 1 4 893 1 1 6 TRP CD1 C 0.396 -0.293 -4.661 1.00 . A A . 6 TRP CD1 1 1 4 894 1 1 6 TRP CD2 C -0.471 1.582 -3.820 1.00 . A A . 6 TRP CD2 1 1 4 895 1 1 6 TRP CE2 C -0.642 1.655 -5.220 1.00 . A A . 6 TRP CE2 1 1 4 896 1 1 6 TRP CE3 C -0.931 2.645 -3.034 1.00 . A A . 6 TRP CE3 1 1 4 897 1 1 6 TRP CG C 0.184 0.328 -3.507 1.00 . A A . 6 TRP CG 1 1 4 898 1 1 6 TRP CH2 C -1.706 3.805 -5.032 1.00 . A A . 6 TRP CH2 1 1 4 899 1 1 6 TRP CZ2 C -1.250 2.748 -5.824 1.00 . A A . 6 TRP CZ2 1 1 4 900 1 1 6 TRP CZ3 C -1.546 3.754 -3.637 1.00 . A A . 6 TRP CZ3 1 1 4 901 1 1 6 TRP H H -1.336 0.999 -1.326 1.00 . A A . 6 TRP H 1 1 4 902 1 1 6 TRP HA H -1.002 -1.687 -2.265 1.00 . A A . 6 TRP HA 1 1 4 903 1 1 6 TRP HB2 H 0.859 0.595 -1.551 1.00 . A A . 6 TRP HB2 1 1 4 904 1 1 6 TRP HB3 H 1.430 -0.874 -2.324 1.00 . A A . 6 TRP HB3 1 1 4 905 1 1 6 TRP HD1 H 0.869 -1.242 -4.752 1.00 . A A . 6 TRP HD1 1 1 4 906 1 1 6 TRP HE1 H -0.065 0.244 -6.638 1.00 . A A . 6 TRP HE1 1 1 4 907 1 1 6 TRP HE3 H -0.805 2.608 -1.959 1.00 . A A . 6 TRP HE3 1 1 4 908 1 1 6 TRP HH2 H -2.180 4.658 -5.492 1.00 . A A . 6 TRP HH2 1 1 4 909 1 1 6 TRP HZ2 H -1.368 2.778 -6.896 1.00 . A A . 6 TRP HZ2 1 1 4 910 1 1 6 TRP HZ3 H -1.901 4.571 -3.026 1.00 . A A . 6 TRP HZ3 1 1 4 911 1 1 6 TRP N N -1.561 0.058 -1.194 1.00 . A A . 6 TRP N 1 1 4 912 1 1 6 TRP NE1 N -0.095 0.480 -5.691 1.00 . A A . 6 TRP NE1 1 1 4 913 1 1 6 TRP O O -0.230 -2.866 -0.135 1.00 . A A . 6 TRP O 1 1 4 914 1 1 7 PHE C C -0.165 -2.237 2.520 1.00 . A A . 7 PHE C 1 1 4 915 1 1 7 PHE CA C 0.936 -1.407 1.852 1.00 . A A . 7 PHE CA 1 1 4 916 1 1 7 PHE CB C 1.227 -0.147 2.672 1.00 . A A . 7 PHE CB 1 1 4 917 1 1 7 PHE CD1 C 2.504 -1.285 4.521 1.00 . A A . 7 PHE CD1 1 1 4 918 1 1 7 PHE CD2 C 0.483 -0.066 5.078 1.00 . A A . 7 PHE CD2 1 1 4 919 1 1 7 PHE CE1 C 2.673 -1.621 5.870 1.00 . A A . 7 PHE CE1 1 1 4 920 1 1 7 PHE CE2 C 0.651 -0.402 6.426 1.00 . A A . 7 PHE CE2 1 1 4 921 1 1 7 PHE CG C 1.410 -0.508 4.126 1.00 . A A . 7 PHE CG 1 1 4 922 1 1 7 PHE CZ C 1.748 -1.178 6.822 1.00 . A A . 7 PHE CZ 1 1 4 923 1 1 7 PHE H H 0.498 0.075 0.343 1.00 . A A . 7 PHE H 1 1 4 924 1 1 7 PHE HA H 1.834 -1.987 1.721 1.00 . A A . 7 PHE HA 1 1 4 925 1 1 7 PHE HB2 H 2.123 0.324 2.298 1.00 . A A . 7 PHE HB2 1 1 4 926 1 1 7 PHE HB3 H 0.398 0.539 2.576 1.00 . A A . 7 PHE HB3 1 1 4 927 1 1 7 PHE HD1 H 3.215 -1.626 3.785 1.00 . A A . 7 PHE HD1 1 1 4 928 1 1 7 PHE HD2 H -0.364 0.532 4.771 1.00 . A A . 7 PHE HD2 1 1 4 929 1 1 7 PHE HE1 H 3.518 -2.221 6.174 1.00 . A A . 7 PHE HE1 1 1 4 930 1 1 7 PHE HE2 H -0.063 -0.061 7.161 1.00 . A A . 7 PHE HE2 1 1 4 931 1 1 7 PHE HZ H 1.878 -1.437 7.863 1.00 . A A . 7 PHE HZ 1 1 4 932 1 1 7 PHE N N 0.440 -0.885 0.550 1.00 . A A . 7 PHE N 1 1 4 933 1 1 7 PHE O O 0.084 -3.036 3.401 1.00 . A A . 7 PHE O 1 1 4 934 1 1 8 ARG C C -2.718 -4.120 2.009 1.00 . A A . 8 ARG C 1 1 4 935 1 1 8 ARG CA C -2.521 -2.762 2.693 1.00 . A A . 8 ARG CA 1 1 4 936 1 1 8 ARG CB C -3.685 -1.832 2.415 1.00 . A A . 8 ARG CB 1 1 4 937 1 1 8 ARG CD C -4.240 -1.548 4.799 1.00 . A A . 8 ARG CD 1 1 4 938 1 1 8 ARG CG C -4.770 -2.046 3.457 1.00 . A A . 8 ARG CG 1 1 4 939 1 1 8 ARG CZ C -5.204 -0.069 6.458 1.00 . A A . 8 ARG CZ 1 1 4 940 1 1 8 ARG H H -1.557 -1.369 1.403 1.00 . A A . 8 ARG H 1 1 4 941 1 1 8 ARG HA H -2.393 -2.878 3.755 1.00 . A A . 8 ARG HA 1 1 4 942 1 1 8 ARG HB2 H -3.328 -0.815 2.480 1.00 . A A . 8 ARG HB2 1 1 4 943 1 1 8 ARG HB3 H -4.069 -2.018 1.429 1.00 . A A . 8 ARG HB3 1 1 4 944 1 1 8 ARG HD2 H -4.237 -2.350 5.523 1.00 . A A . 8 ARG HD2 1 1 4 945 1 1 8 ARG HD3 H -3.241 -1.146 4.674 1.00 . A A . 8 ARG HD3 1 1 4 946 1 1 8 ARG HE H -5.775 -0.056 4.556 1.00 . A A . 8 ARG HE 1 1 4 947 1 1 8 ARG HG2 H -5.656 -1.490 3.181 1.00 . A A . 8 ARG HG2 1 1 4 948 1 1 8 ARG HG3 H -5.005 -3.096 3.527 1.00 . A A . 8 ARG HG3 1 1 4 949 1 1 8 ARG HH11 H -6.357 -1.584 7.080 1.00 . A A . 8 ARG HH11 1 1 4 950 1 1 8 ARG HH12 H -5.890 -0.447 8.301 1.00 . A A . 8 ARG HH12 1 1 4 951 1 1 8 ARG HH21 H -4.057 1.538 6.127 1.00 . A A . 8 ARG HH21 1 1 4 952 1 1 8 ARG HH22 H -4.586 1.319 7.762 1.00 . A A . 8 ARG HH22 1 1 4 953 1 1 8 ARG N N -1.383 -2.030 2.105 1.00 . A A . 8 ARG N 1 1 4 954 1 1 8 ARG NE N -5.177 -0.468 5.216 1.00 . A A . 8 ARG NE 1 1 4 955 1 1 8 ARG NH1 N -5.868 -0.753 7.350 1.00 . A A . 8 ARG NH1 1 1 4 956 1 1 8 ARG NH2 N -4.566 1.014 6.810 1.00 . A A . 8 ARG NH2 1 1 4 957 1 1 8 ARG O O -3.440 -4.969 2.496 1.00 . A A . 8 ARG O 1 1 4 958 1 1 9 LYS C C -0.949 -6.461 0.313 1.00 . A A . 9 LYS C 1 1 4 959 1 1 9 LYS CA C -2.234 -5.639 0.180 1.00 . A A . 9 LYS CA 1 1 4 960 1 1 9 LYS CB C -2.492 -5.271 -1.282 1.00 . A A . 9 LYS CB 1 1 4 961 1 1 9 LYS CD C -4.572 -6.642 -1.480 1.00 . A A . 9 LYS CD 1 1 4 962 1 1 9 LYS CE C -6.060 -6.606 -1.839 1.00 . A A . 9 LYS CE 1 1 4 963 1 1 9 LYS CG C -3.998 -5.226 -1.543 1.00 . A A . 9 LYS CG 1 1 4 964 1 1 9 LYS H H -1.502 -3.641 0.510 1.00 . A A . 9 LYS H 1 1 4 965 1 1 9 LYS HA H -3.074 -6.185 0.577 1.00 . A A . 9 LYS HA 1 1 4 966 1 1 9 LYS HB2 H -2.062 -4.300 -1.487 1.00 . A A . 9 LYS HB2 1 1 4 967 1 1 9 LYS HB3 H -2.038 -6.011 -1.926 1.00 . A A . 9 LYS HB3 1 1 4 968 1 1 9 LYS HD2 H -4.047 -7.275 -2.181 1.00 . A A . 9 LYS HD2 1 1 4 969 1 1 9 LYS HD3 H -4.456 -7.036 -0.483 1.00 . A A . 9 LYS HD3 1 1 4 970 1 1 9 LYS HE2 H -6.544 -7.521 -1.526 1.00 . A A . 9 LYS HE2 1 1 4 971 1 1 9 LYS HE3 H -6.536 -5.752 -1.385 1.00 . A A . 9 LYS HE3 1 1 4 972 1 1 9 LYS HG2 H -4.471 -4.610 -0.793 1.00 . A A . 9 LYS HG2 1 1 4 973 1 1 9 LYS HG3 H -4.181 -4.807 -2.521 1.00 . A A . 9 LYS HG3 1 1 4 974 1 1 9 LYS HZ1 H -7.065 -6.617 -3.661 1.00 . A A . 9 LYS HZ1 1 1 4 975 1 1 9 LYS HZ2 H -5.472 -7.200 -3.746 1.00 . A A . 9 LYS HZ2 1 1 4 976 1 1 9 LYS HZ3 H -5.763 -5.533 -3.598 1.00 . A A . 9 LYS HZ3 1 1 4 977 1 1 9 LYS N N -2.081 -4.335 0.887 1.00 . A A . 9 LYS N 1 1 4 978 1 1 9 LYS NZ N -6.093 -6.480 -3.323 1.00 . A A . 9 LYS NZ 1 1 4 979 1 1 9 LYS O O -0.877 -7.396 1.086 1.00 . A A . 9 LYS O 1 1 4 980 1 1 10 TRP C C 2.256 -6.214 0.693 1.00 . A A . 10 TRP C 1 1 4 981 1 1 10 TRP CA C 1.344 -6.868 -0.360 1.00 . A A . 10 TRP CA 1 1 4 982 1 1 10 TRP CB C 1.939 -6.733 -1.769 1.00 . A A . 10 TRP CB 1 1 4 983 1 1 10 TRP CD1 C 0.830 -6.167 -3.950 1.00 . A A . 10 TRP CD1 1 1 4 984 1 1 10 TRP CD2 C -0.272 -7.769 -2.835 1.00 . A A . 10 TRP CD2 1 1 4 985 1 1 10 TRP CE2 C -0.987 -7.550 -4.029 1.00 . A A . 10 TRP CE2 1 1 4 986 1 1 10 TRP CE3 C -0.756 -8.729 -1.946 1.00 . A A . 10 TRP CE3 1 1 4 987 1 1 10 TRP CG C 0.881 -6.883 -2.812 1.00 . A A . 10 TRP CG 1 1 4 988 1 1 10 TRP CH2 C -2.617 -9.221 -3.432 1.00 . A A . 10 TRP CH2 1 1 4 989 1 1 10 TRP CZ2 C -2.148 -8.263 -4.332 1.00 . A A . 10 TRP CZ2 1 1 4 990 1 1 10 TRP CZ3 C -1.922 -9.454 -2.238 1.00 . A A . 10 TRP CZ3 1 1 4 991 1 1 10 TRP H H -0.007 -5.364 -1.053 1.00 . A A . 10 TRP H 1 1 4 992 1 1 10 TRP HA H 1.167 -7.904 -0.125 1.00 . A A . 10 TRP HA 1 1 4 993 1 1 10 TRP HB2 H 2.377 -5.755 -1.874 1.00 . A A . 10 TRP HB2 1 1 4 994 1 1 10 TRP HB3 H 2.695 -7.486 -1.914 1.00 . A A . 10 TRP HB3 1 1 4 995 1 1 10 TRP HD1 H 1.544 -5.407 -4.245 1.00 . A A . 10 TRP HD1 1 1 4 996 1 1 10 TRP HE1 H -0.540 -6.210 -5.535 1.00 . A A . 10 TRP HE1 1 1 4 997 1 1 10 TRP HE3 H -0.228 -8.906 -1.034 1.00 . A A . 10 TRP HE3 1 1 4 998 1 1 10 TRP HH2 H -3.514 -9.779 -3.655 1.00 . A A . 10 TRP HH2 1 1 4 999 1 1 10 TRP HZ2 H -2.677 -8.076 -5.255 1.00 . A A . 10 TRP HZ2 1 1 4 1000 1 1 10 TRP HZ3 H -2.284 -10.195 -1.540 1.00 . A A . 10 TRP HZ3 1 1 4 1001 1 1 10 TRP N N 0.067 -6.118 -0.435 1.00 . A A . 10 TRP N 1 1 4 1002 1 1 10 TRP NE1 N -0.277 -6.566 -4.675 1.00 . A A . 10 TRP NE1 1 1 4 1003 1 1 10 TRP O O 1.942 -6.184 1.867 1.00 . A A . 10 TRP O 1 1 4 1004 1 1 11 LYS C C 5.147 -4.050 0.367 1.00 . A A . 11 LYS C 1 1 4 1005 1 1 11 LYS CA C 4.299 -4.990 1.210 1.00 . A A . 11 LYS CA 1 1 4 1006 1 1 11 LYS CB C 5.161 -6.086 1.841 1.00 . A A . 11 LYS CB 1 1 4 1007 1 1 11 LYS CD C 4.737 -8.257 0.707 1.00 . A A . 11 LYS CD 1 1 4 1008 1 1 11 LYS CE C 4.506 -8.667 -0.750 1.00 . A A . 11 LYS CE 1 1 4 1009 1 1 11 LYS CG C 5.659 -7.041 0.759 1.00 . A A . 11 LYS CG 1 1 4 1010 1 1 11 LYS H H 3.590 -5.683 -0.678 1.00 . A A . 11 LYS H 1 1 4 1011 1 1 11 LYS HA H 3.753 -4.454 1.963 1.00 . A A . 11 LYS HA 1 1 4 1012 1 1 11 LYS HB2 H 6.006 -5.634 2.340 1.00 . A A . 11 LYS HB2 1 1 4 1013 1 1 11 LYS HB3 H 4.571 -6.635 2.560 1.00 . A A . 11 LYS HB3 1 1 4 1014 1 1 11 LYS HD2 H 5.190 -9.077 1.247 1.00 . A A . 11 LYS HD2 1 1 4 1015 1 1 11 LYS HD3 H 3.791 -8.002 1.162 1.00 . A A . 11 LYS HD3 1 1 4 1016 1 1 11 LYS HE2 H 3.489 -9.007 -0.886 1.00 . A A . 11 LYS HE2 1 1 4 1017 1 1 11 LYS HE3 H 4.723 -7.844 -1.411 1.00 . A A . 11 LYS HE3 1 1 4 1018 1 1 11 LYS HG2 H 5.650 -6.536 -0.196 1.00 . A A . 11 LYS HG2 1 1 4 1019 1 1 11 LYS HG3 H 6.664 -7.361 0.991 1.00 . A A . 11 LYS HG3 1 1 4 1020 1 1 11 LYS HZ1 H 5.333 -10.516 -0.268 1.00 . A A . 11 LYS HZ1 1 1 4 1021 1 1 11 LYS HZ2 H 6.438 -9.418 -0.948 1.00 . A A . 11 LYS HZ2 1 1 4 1022 1 1 11 LYS HZ3 H 5.289 -10.191 -1.932 1.00 . A A . 11 LYS HZ3 1 1 4 1023 1 1 11 LYS N N 3.368 -5.670 0.275 1.00 . A A . 11 LYS N 1 1 4 1024 1 1 11 LYS NZ N 5.464 -9.783 -0.993 1.00 . A A . 11 LYS NZ 1 1 4 1025 1 1 11 LYS O O 6.331 -3.885 0.584 1.00 . A A . 11 LYS O 1 1 4 1026 1 1 12 LYS C C 6.270 -1.691 -0.836 1.00 . A A . 12 LYS C 1 1 4 1027 1 1 12 LYS CA C 5.244 -2.565 -1.568 1.00 . A A . 12 LYS CA 1 1 4 1028 1 1 12 LYS CB C 4.149 -1.701 -2.187 1.00 . A A . 12 LYS CB 1 1 4 1029 1 1 12 LYS CD C 4.201 -3.014 -4.316 1.00 . A A . 12 LYS CD 1 1 4 1030 1 1 12 LYS CE C 3.324 -3.350 -5.526 1.00 . A A . 12 LYS CE 1 1 4 1031 1 1 12 LYS CG C 3.317 -2.544 -3.157 1.00 . A A . 12 LYS CG 1 1 4 1032 1 1 12 LYS H H 3.581 -3.662 -0.785 1.00 . A A . 12 LYS H 1 1 4 1033 1 1 12 LYS HA H 5.714 -3.151 -2.338 1.00 . A A . 12 LYS HA 1 1 4 1034 1 1 12 LYS HB2 H 3.511 -1.312 -1.407 1.00 . A A . 12 LYS HB2 1 1 4 1035 1 1 12 LYS HB3 H 4.602 -0.885 -2.723 1.00 . A A . 12 LYS HB3 1 1 4 1036 1 1 12 LYS HD2 H 4.895 -2.229 -4.580 1.00 . A A . 12 LYS HD2 1 1 4 1037 1 1 12 LYS HD3 H 4.749 -3.893 -4.016 1.00 . A A . 12 LYS HD3 1 1 4 1038 1 1 12 LYS HE2 H 2.287 -3.430 -5.228 1.00 . A A . 12 LYS HE2 1 1 4 1039 1 1 12 LYS HE3 H 3.439 -2.603 -6.294 1.00 . A A . 12 LYS HE3 1 1 4 1040 1 1 12 LYS HG2 H 2.917 -3.402 -2.638 1.00 . A A . 12 LYS HG2 1 1 4 1041 1 1 12 LYS HG3 H 2.505 -1.949 -3.547 1.00 . A A . 12 LYS HG3 1 1 4 1042 1 1 12 LYS HZ1 H 3.773 -5.364 -5.245 1.00 . A A . 12 LYS HZ1 1 1 4 1043 1 1 12 LYS HZ2 H 4.819 -4.563 -6.319 1.00 . A A . 12 LYS HZ2 1 1 4 1044 1 1 12 LYS HZ3 H 3.248 -4.984 -6.814 1.00 . A A . 12 LYS HZ3 1 1 4 1045 1 1 12 LYS N N 4.529 -3.471 -0.632 1.00 . A A . 12 LYS N 1 1 4 1046 1 1 12 LYS NZ N 3.829 -4.665 -6.013 1.00 . A A . 12 LYS NZ 1 1 4 1047 1 1 12 LYS O O 7.448 -1.829 -1.122 1.00 . A A . 12 LYS O 1 1 4 1048 1 1 12 LYS OXT O 5.858 -0.900 -0.003 1.00 . A A . 12 LYS OXT 1 1 5 1049 1 1 1 ARG C C 1.560 8.914 -3.015 1.00 . A A . 1 ARG C 1 1 5 1050 1 1 1 ARG CA C 2.689 9.292 -3.977 1.00 . A A . 1 ARG CA 1 1 5 1051 1 1 1 ARG CB C 2.608 10.775 -4.346 1.00 . A A . 1 ARG CB 1 1 5 1052 1 1 1 ARG CD C 3.162 11.944 -2.209 1.00 . A A . 1 ARG CD 1 1 5 1053 1 1 1 ARG CG C 3.682 11.557 -3.592 1.00 . A A . 1 ARG CG 1 1 5 1054 1 1 1 ARG CZ C 2.730 10.680 -0.190 1.00 . A A . 1 ARG CZ 1 1 5 1055 1 1 1 ARG H1 H 3.297 8.833 -5.916 1.00 . A A . 1 ARG H1 1 1 5 1056 1 1 1 ARG H2 H 1.613 8.814 -5.695 1.00 . A A . 1 ARG H2 1 1 5 1057 1 1 1 ARG H3 H 2.565 7.541 -5.098 1.00 . A A . 1 ARG H3 1 1 5 1058 1 1 1 ARG HA H 3.650 9.073 -3.539 1.00 . A A . 1 ARG HA 1 1 5 1059 1 1 1 ARG HB2 H 2.763 10.889 -5.409 1.00 . A A . 1 ARG HB2 1 1 5 1060 1 1 1 ARG HB3 H 1.641 11.163 -4.081 1.00 . A A . 1 ARG HB3 1 1 5 1061 1 1 1 ARG HD2 H 3.790 12.710 -1.773 1.00 . A A . 1 ARG HD2 1 1 5 1062 1 1 1 ARG HD3 H 2.144 12.291 -2.279 1.00 . A A . 1 ARG HD3 1 1 5 1063 1 1 1 ARG HE H 3.639 9.890 -1.768 1.00 . A A . 1 ARG HE 1 1 5 1064 1 1 1 ARG HG2 H 4.570 10.951 -3.490 1.00 . A A . 1 ARG HG2 1 1 5 1065 1 1 1 ARG HG3 H 3.913 12.449 -4.142 1.00 . A A . 1 ARG HG3 1 1 5 1066 1 1 1 ARG HH11 H 0.835 10.471 -0.802 1.00 . A A . 1 ARG HH11 1 1 5 1067 1 1 1 ARG HH12 H 1.065 10.542 0.914 1.00 . A A . 1 ARG HH12 1 1 5 1068 1 1 1 ARG HH21 H 4.509 10.886 0.705 1.00 . A A . 1 ARG HH21 1 1 5 1069 1 1 1 ARG HH22 H 3.144 10.777 1.766 1.00 . A A . 1 ARG HH22 1 1 5 1070 1 1 1 ARG N N 2.529 8.565 -5.269 1.00 . A A . 1 ARG N 1 1 5 1071 1 1 1 ARG NE N 3.224 10.697 -1.397 1.00 . A A . 1 ARG NE 1 1 5 1072 1 1 1 ARG NH1 N 1.443 10.554 -0.013 1.00 . A A . 1 ARG NH1 1 1 5 1073 1 1 1 ARG NH2 N 3.522 10.789 0.841 1.00 . A A . 1 ARG NH2 1 1 5 1074 1 1 1 ARG O O 0.928 9.765 -2.420 1.00 . A A . 1 ARG O 1 1 5 1075 1 1 2 GLN C C 0.668 5.996 -1.120 1.00 . A A . 2 GLN C 1 1 5 1076 1 1 2 GLN CA C 0.216 7.208 -1.931 1.00 . A A . 2 GLN CA 1 1 5 1077 1 1 2 GLN CB C -0.961 6.845 -2.838 1.00 . A A . 2 GLN CB 1 1 5 1078 1 1 2 GLN CD C -1.671 9.224 -3.122 1.00 . A A . 2 GLN CD 1 1 5 1079 1 1 2 GLN CG C -2.101 7.844 -2.622 1.00 . A A . 2 GLN CG 1 1 5 1080 1 1 2 GLN H H 1.826 6.973 -3.345 1.00 . A A . 2 GLN H 1 1 5 1081 1 1 2 GLN HA H -0.057 8.009 -1.273 1.00 . A A . 2 GLN HA 1 1 5 1082 1 1 2 GLN HB2 H -0.644 6.877 -3.872 1.00 . A A . 2 GLN HB2 1 1 5 1083 1 1 2 GLN HB3 H -1.309 5.851 -2.596 1.00 . A A . 2 GLN HB3 1 1 5 1084 1 1 2 GLN HE21 H -1.944 10.098 -1.357 1.00 . A A . 2 GLN HE21 1 1 5 1085 1 1 2 GLN HE22 H -1.396 11.123 -2.605 1.00 . A A . 2 GLN HE22 1 1 5 1086 1 1 2 GLN HG2 H -2.973 7.518 -3.169 1.00 . A A . 2 GLN HG2 1 1 5 1087 1 1 2 GLN HG3 H -2.333 7.901 -1.568 1.00 . A A . 2 GLN HG3 1 1 5 1088 1 1 2 GLN N N 1.303 7.642 -2.856 1.00 . A A . 2 GLN N 1 1 5 1089 1 1 2 GLN NE2 N -1.670 10.231 -2.293 1.00 . A A . 2 GLN NE2 1 1 5 1090 1 1 2 GLN O O 0.646 6.015 0.091 1.00 . A A . 2 GLN O 1 1 5 1091 1 1 2 GLN OE1 O -1.334 9.387 -4.277 1.00 . A A . 2 GLN OE1 1 1 5 1092 1 1 3 ILE C C 0.790 3.420 0.191 1.00 . A A . 3 ILE C 1 1 5 1093 1 1 3 ILE CA C 1.587 3.744 -1.088 1.00 . A A . 3 ILE CA 1 1 5 1094 1 1 3 ILE CB C 3.052 4.069 -0.812 1.00 . A A . 3 ILE CB 1 1 5 1095 1 1 3 ILE CD1 C 3.324 1.785 0.120 1.00 . A A . 3 ILE CD1 1 1 5 1096 1 1 3 ILE CG1 C 3.842 2.779 -0.919 1.00 . A A . 3 ILE CG1 1 1 5 1097 1 1 3 ILE CG2 C 3.247 4.711 0.569 1.00 . A A . 3 ILE CG2 1 1 5 1098 1 1 3 ILE H H 1.136 4.984 -2.755 1.00 . A A . 3 ILE H 1 1 5 1099 1 1 3 ILE HA H 1.544 2.900 -1.763 1.00 . A A . 3 ILE HA 1 1 5 1100 1 1 3 ILE HB H 3.395 4.752 -1.571 1.00 . A A . 3 ILE HB 1 1 5 1101 1 1 3 ILE HD11 H 3.938 0.904 0.116 1.00 . A A . 3 ILE HD11 1 1 5 1102 1 1 3 ILE HD12 H 2.304 1.516 -0.121 1.00 . A A . 3 ILE HD12 1 1 5 1103 1 1 3 ILE HD13 H 3.351 2.244 1.098 1.00 . A A . 3 ILE HD13 1 1 5 1104 1 1 3 ILE HG12 H 3.694 2.376 -1.912 1.00 . A A . 3 ILE HG12 1 1 5 1105 1 1 3 ILE HG13 H 4.891 2.973 -0.750 1.00 . A A . 3 ILE HG13 1 1 5 1106 1 1 3 ILE HG21 H 3.538 3.955 1.281 1.00 . A A . 3 ILE HG21 1 1 5 1107 1 1 3 ILE HG22 H 2.325 5.169 0.890 1.00 . A A . 3 ILE HG22 1 1 5 1108 1 1 3 ILE HG23 H 4.018 5.464 0.508 1.00 . A A . 3 ILE HG23 1 1 5 1109 1 1 3 ILE N N 1.101 4.959 -1.784 1.00 . A A . 3 ILE N 1 1 5 1110 1 1 3 ILE O O 1.338 3.007 1.193 1.00 . A A . 3 ILE O 1 1 5 1111 1 1 4 LYS C C -2.240 2.084 1.015 1.00 . A A . 4 LYS C 1 1 5 1112 1 1 4 LYS CA C -1.312 3.246 1.352 1.00 . A A . 4 LYS CA 1 1 5 1113 1 1 4 LYS CB C -2.077 4.520 1.664 1.00 . A A . 4 LYS CB 1 1 5 1114 1 1 4 LYS CD C -1.515 6.153 3.466 1.00 . A A . 4 LYS CD 1 1 5 1115 1 1 4 LYS CE C -0.279 6.430 4.324 1.00 . A A . 4 LYS CE 1 1 5 1116 1 1 4 LYS CG C -1.082 5.579 2.115 1.00 . A A . 4 LYS CG 1 1 5 1117 1 1 4 LYS H H -0.936 3.896 -0.654 1.00 . A A . 4 LYS H 1 1 5 1118 1 1 4 LYS HA H -0.671 2.985 2.178 1.00 . A A . 4 LYS HA 1 1 5 1119 1 1 4 LYS HB2 H -2.604 4.860 0.784 1.00 . A A . 4 LYS HB2 1 1 5 1120 1 1 4 LYS HB3 H -2.767 4.331 2.451 1.00 . A A . 4 LYS HB3 1 1 5 1121 1 1 4 LYS HD2 H -2.059 7.072 3.309 1.00 . A A . 4 LYS HD2 1 1 5 1122 1 1 4 LYS HD3 H -2.149 5.440 3.973 1.00 . A A . 4 LYS HD3 1 1 5 1123 1 1 4 LYS HE2 H -0.506 6.273 5.370 1.00 . A A . 4 LYS HE2 1 1 5 1124 1 1 4 LYS HE3 H 0.542 5.801 4.017 1.00 . A A . 4 LYS HE3 1 1 5 1125 1 1 4 LYS HG2 H -0.112 5.115 2.214 1.00 . A A . 4 LYS HG2 1 1 5 1126 1 1 4 LYS HG3 H -1.038 6.371 1.385 1.00 . A A . 4 LYS HG3 1 1 5 1127 1 1 4 LYS HZ1 H 0.155 8.017 3.048 1.00 . A A . 4 LYS HZ1 1 1 5 1128 1 1 4 LYS HZ2 H 0.942 8.100 4.552 1.00 . A A . 4 LYS HZ2 1 1 5 1129 1 1 4 LYS HZ3 H -0.713 8.463 4.436 1.00 . A A . 4 LYS HZ3 1 1 5 1130 1 1 4 LYS N N -0.499 3.577 0.157 1.00 . A A . 4 LYS N 1 1 5 1131 1 1 4 LYS NZ N 0.051 7.860 4.070 1.00 . A A . 4 LYS NZ 1 1 5 1132 1 1 4 LYS O O -2.359 1.136 1.765 1.00 . A A . 4 LYS O 1 1 5 1133 1 1 5 ILE C C -2.797 -0.161 -0.973 1.00 . A A . 5 ILE C 1 1 5 1134 1 1 5 ILE CA C -3.716 0.989 -0.555 1.00 . A A . 5 ILE CA 1 1 5 1135 1 1 5 ILE CB C -4.520 1.509 -1.752 1.00 . A A . 5 ILE CB 1 1 5 1136 1 1 5 ILE CD1 C -5.697 2.885 -0.016 1.00 . A A . 5 ILE CD1 1 1 5 1137 1 1 5 ILE CG1 C -5.119 2.883 -1.433 1.00 . A A . 5 ILE CG1 1 1 5 1138 1 1 5 ILE CG2 C -5.650 0.529 -2.072 1.00 . A A . 5 ILE CG2 1 1 5 1139 1 1 5 ILE H H -2.700 2.877 -0.742 1.00 . A A . 5 ILE H 1 1 5 1140 1 1 5 ILE HA H -4.373 0.689 0.246 1.00 . A A . 5 ILE HA 1 1 5 1141 1 1 5 ILE HB H -3.869 1.595 -2.607 1.00 . A A . 5 ILE HB 1 1 5 1142 1 1 5 ILE HD11 H -4.911 3.105 0.691 1.00 . A A . 5 ILE HD11 1 1 5 1143 1 1 5 ILE HD12 H -6.116 1.914 0.201 1.00 . A A . 5 ILE HD12 1 1 5 1144 1 1 5 ILE HD13 H -6.469 3.636 0.056 1.00 . A A . 5 ILE HD13 1 1 5 1145 1 1 5 ILE HG12 H -4.348 3.636 -1.507 1.00 . A A . 5 ILE HG12 1 1 5 1146 1 1 5 ILE HG13 H -5.902 3.101 -2.141 1.00 . A A . 5 ILE HG13 1 1 5 1147 1 1 5 ILE HG21 H -6.069 0.766 -3.038 1.00 . A A . 5 ILE HG21 1 1 5 1148 1 1 5 ILE HG22 H -6.419 0.608 -1.317 1.00 . A A . 5 ILE HG22 1 1 5 1149 1 1 5 ILE HG23 H -5.260 -0.479 -2.084 1.00 . A A . 5 ILE HG23 1 1 5 1150 1 1 5 ILE N N -2.849 2.124 -0.135 1.00 . A A . 5 ILE N 1 1 5 1151 1 1 5 ILE O O -3.205 -1.297 -1.113 1.00 . A A . 5 ILE O 1 1 5 1152 1 1 6 TRP C C 0.049 -1.475 -0.285 1.00 . A A . 6 TRP C 1 1 5 1153 1 1 6 TRP CA C -0.526 -0.860 -1.536 1.00 . A A . 6 TRP CA 1 1 5 1154 1 1 6 TRP CB C 0.563 -0.050 -2.237 1.00 . A A . 6 TRP CB 1 1 5 1155 1 1 6 TRP CD1 C 0.317 -0.171 -4.696 1.00 . A A . 6 TRP CD1 1 1 5 1156 1 1 6 TRP CD2 C -0.751 1.589 -3.837 1.00 . A A . 6 TRP CD2 1 1 5 1157 1 1 6 TRP CE2 C -0.972 1.630 -5.230 1.00 . A A . 6 TRP CE2 1 1 5 1158 1 1 6 TRP CE3 C -1.317 2.595 -3.041 1.00 . A A . 6 TRP CE3 1 1 5 1159 1 1 6 TRP CG C 0.064 0.431 -3.538 1.00 . A A . 6 TRP CG 1 1 5 1160 1 1 6 TRP CH2 C -2.291 3.633 -5.019 1.00 . A A . 6 TRP CH2 1 1 5 1161 1 1 6 TRP CZ2 C -1.729 2.634 -5.820 1.00 . A A . 6 TRP CZ2 1 1 5 1162 1 1 6 TRP CZ3 C -2.084 3.614 -3.629 1.00 . A A . 6 TRP CZ3 1 1 5 1163 1 1 6 TRP H H -1.260 1.079 -1.009 1.00 . A A . 6 TRP H 1 1 5 1164 1 1 6 TRP HA H -0.939 -1.604 -2.183 1.00 . A A . 6 TRP HA 1 1 5 1165 1 1 6 TRP HB2 H 0.828 0.796 -1.630 1.00 . A A . 6 TRP HB2 1 1 5 1166 1 1 6 TRP HB3 H 1.435 -0.665 -2.391 1.00 . A A . 6 TRP HB3 1 1 5 1167 1 1 6 TRP HD1 H 0.902 -1.053 -4.798 1.00 . A A . 6 TRP HD1 1 1 5 1168 1 1 6 TRP HE1 H -0.266 0.290 -6.660 1.00 . A A . 6 TRP HE1 1 1 5 1169 1 1 6 TRP HE3 H -1.155 2.583 -1.969 1.00 . A A . 6 TRP HE3 1 1 5 1170 1 1 6 TRP HH2 H -2.880 4.416 -5.467 1.00 . A A . 6 TRP HH2 1 1 5 1171 1 1 6 TRP HZ2 H -1.883 2.640 -6.887 1.00 . A A . 6 TRP HZ2 1 1 5 1172 1 1 6 TRP HZ3 H -2.519 4.384 -3.011 1.00 . A A . 6 TRP HZ3 1 1 5 1173 1 1 6 TRP N N -1.541 0.155 -1.150 1.00 . A A . 6 TRP N 1 1 5 1174 1 1 6 TRP NE1 N -0.296 0.529 -5.712 1.00 . A A . 6 TRP NE1 1 1 5 1175 1 1 6 TRP O O -0.002 -2.667 -0.060 1.00 . A A . 6 TRP O 1 1 5 1176 1 1 7 PHE C C 0.145 -1.960 2.571 1.00 . A A . 7 PHE C 1 1 5 1177 1 1 7 PHE CA C 1.163 -1.090 1.832 1.00 . A A . 7 PHE CA 1 1 5 1178 1 1 7 PHE CB C 1.421 0.200 2.616 1.00 . A A . 7 PHE CB 1 1 5 1179 1 1 7 PHE CD1 C 3.102 -0.928 4.115 1.00 . A A . 7 PHE CD1 1 1 5 1180 1 1 7 PHE CD2 C 1.298 0.335 5.130 1.00 . A A . 7 PHE CD2 1 1 5 1181 1 1 7 PHE CE1 C 3.596 -1.243 5.387 1.00 . A A . 7 PHE CE1 1 1 5 1182 1 1 7 PHE CE2 C 1.792 0.020 6.402 1.00 . A A . 7 PHE CE2 1 1 5 1183 1 1 7 PHE CG C 1.954 -0.139 3.988 1.00 . A A . 7 PHE CG 1 1 5 1184 1 1 7 PHE CZ C 2.942 -0.769 6.529 1.00 . A A . 7 PHE CZ 1 1 5 1185 1 1 7 PHE H H 0.572 0.323 0.304 1.00 . A A . 7 PHE H 1 1 5 1186 1 1 7 PHE HA H 2.086 -1.624 1.671 1.00 . A A . 7 PHE HA 1 1 5 1187 1 1 7 PHE HB2 H 2.138 0.809 2.089 1.00 . A A . 7 PHE HB2 1 1 5 1188 1 1 7 PHE HB3 H 0.495 0.745 2.719 1.00 . A A . 7 PHE HB3 1 1 5 1189 1 1 7 PHE HD1 H 3.604 -1.294 3.233 1.00 . A A . 7 PHE HD1 1 1 5 1190 1 1 7 PHE HD2 H 0.409 0.943 5.030 1.00 . A A . 7 PHE HD2 1 1 5 1191 1 1 7 PHE HE1 H 4.483 -1.852 5.485 1.00 . A A . 7 PHE HE1 1 1 5 1192 1 1 7 PHE HE2 H 1.286 0.385 7.283 1.00 . A A . 7 PHE HE2 1 1 5 1193 1 1 7 PHE HZ H 3.322 -1.013 7.511 1.00 . A A . 7 PHE HZ 1 1 5 1194 1 1 7 PHE N N 0.579 -0.631 0.539 1.00 . A A . 7 PHE N 1 1 5 1195 1 1 7 PHE O O 0.477 -2.711 3.467 1.00 . A A . 7 PHE O 1 1 5 1196 1 1 8 ARG C C -2.540 -3.860 2.068 1.00 . A A . 8 ARG C 1 1 5 1197 1 1 8 ARG CA C -2.170 -2.605 2.869 1.00 . A A . 8 ARG CA 1 1 5 1198 1 1 8 ARG CB C -3.314 -1.613 2.880 1.00 . A A . 8 ARG CB 1 1 5 1199 1 1 8 ARG CD C -3.425 -1.557 5.334 1.00 . A A . 8 ARG CD 1 1 5 1200 1 1 8 ARG CG C -4.215 -1.889 4.070 1.00 . A A . 8 ARG CG 1 1 5 1201 1 1 8 ARG CZ C -3.782 0.008 7.148 1.00 . A A . 8 ARG CZ 1 1 5 1202 1 1 8 ARG H H -1.345 -1.207 1.499 1.00 . A A . 8 ARG H 1 1 5 1203 1 1 8 ARG HA H -1.895 -2.854 3.877 1.00 . A A . 8 ARG HA 1 1 5 1204 1 1 8 ARG HB2 H -2.903 -0.620 2.971 1.00 . A A . 8 ARG HB2 1 1 5 1205 1 1 8 ARG HB3 H -3.867 -1.691 1.962 1.00 . A A . 8 ARG HB3 1 1 5 1206 1 1 8 ARG HD2 H -3.318 -2.438 5.949 1.00 . A A . 8 ARG HD2 1 1 5 1207 1 1 8 ARG HD3 H -2.453 -1.161 5.061 1.00 . A A . 8 ARG HD3 1 1 5 1208 1 1 8 ARG HE H -5.085 -0.223 5.669 1.00 . A A . 8 ARG HE 1 1 5 1209 1 1 8 ARG HG2 H -5.099 -1.269 4.011 1.00 . A A . 8 ARG HG2 1 1 5 1210 1 1 8 ARG HG3 H -4.496 -2.930 4.081 1.00 . A A . 8 ARG HG3 1 1 5 1211 1 1 8 ARG HH11 H -1.903 0.202 6.485 1.00 . A A . 8 ARG HH11 1 1 5 1212 1 1 8 ARG HH12 H -2.185 0.746 8.106 1.00 . A A . 8 ARG HH12 1 1 5 1213 1 1 8 ARG HH21 H -5.557 -0.064 8.070 1.00 . A A . 8 ARG HH21 1 1 5 1214 1 1 8 ARG HH22 H -4.254 0.595 9.003 1.00 . A A . 8 ARG HH22 1 1 5 1215 1 1 8 ARG N N -1.101 -1.836 2.206 1.00 . A A . 8 ARG N 1 1 5 1216 1 1 8 ARG NE N -4.226 -0.516 6.038 1.00 . A A . 8 ARG NE 1 1 5 1217 1 1 8 ARG NH1 N -2.526 0.345 7.254 1.00 . A A . 8 ARG NH1 1 1 5 1218 1 1 8 ARG NH2 N -4.594 0.194 8.152 1.00 . A A . 8 ARG NH2 1 1 5 1219 1 1 8 ARG O O -3.435 -4.595 2.438 1.00 . A A . 8 ARG O 1 1 5 1220 1 1 9 LYS C C -1.067 -6.342 0.245 1.00 . A A . 9 LYS C 1 1 5 1221 1 1 9 LYS CA C -2.199 -5.312 0.159 1.00 . A A . 9 LYS CA 1 1 5 1222 1 1 9 LYS CB C -2.345 -4.788 -1.271 1.00 . A A . 9 LYS CB 1 1 5 1223 1 1 9 LYS CD C -4.756 -5.384 -1.556 1.00 . A A . 9 LYS CD 1 1 5 1224 1 1 9 LYS CE C -6.174 -4.821 -1.669 1.00 . A A . 9 LYS CE 1 1 5 1225 1 1 9 LYS CG C -3.754 -4.231 -1.471 1.00 . A A . 9 LYS CG 1 1 5 1226 1 1 9 LYS H H -1.154 -3.505 0.685 1.00 . A A . 9 LYS H 1 1 5 1227 1 1 9 LYS HA H -3.129 -5.746 0.488 1.00 . A A . 9 LYS HA 1 1 5 1228 1 1 9 LYS HB2 H -1.623 -4.001 -1.438 1.00 . A A . 9 LYS HB2 1 1 5 1229 1 1 9 LYS HB3 H -2.173 -5.593 -1.969 1.00 . A A . 9 LYS HB3 1 1 5 1230 1 1 9 LYS HD2 H -4.536 -5.987 -2.426 1.00 . A A . 9 LYS HD2 1 1 5 1231 1 1 9 LYS HD3 H -4.682 -5.993 -0.668 1.00 . A A . 9 LYS HD3 1 1 5 1232 1 1 9 LYS HE2 H -6.639 -4.781 -0.694 1.00 . A A . 9 LYS HE2 1 1 5 1233 1 1 9 LYS HE3 H -6.156 -3.842 -2.120 1.00 . A A . 9 LYS HE3 1 1 5 1234 1 1 9 LYS HG2 H -4.006 -3.592 -0.639 1.00 . A A . 9 LYS HG2 1 1 5 1235 1 1 9 LYS HG3 H -3.787 -3.660 -2.387 1.00 . A A . 9 LYS HG3 1 1 5 1236 1 1 9 LYS HZ1 H -7.005 -6.689 -2.065 1.00 . A A . 9 LYS HZ1 1 1 5 1237 1 1 9 LYS HZ2 H -6.355 -5.915 -3.431 1.00 . A A . 9 LYS HZ2 1 1 5 1238 1 1 9 LYS HZ3 H -7.837 -5.396 -2.782 1.00 . A A . 9 LYS HZ3 1 1 5 1239 1 1 9 LYS N N -1.869 -4.109 0.974 1.00 . A A . 9 LYS N 1 1 5 1240 1 1 9 LYS NZ N -6.898 -5.778 -2.553 1.00 . A A . 9 LYS NZ 1 1 5 1241 1 1 9 LYS O O -1.165 -7.326 0.953 1.00 . A A . 9 LYS O 1 1 5 1242 1 1 10 TRP C C 2.106 -6.713 0.686 1.00 . A A . 10 TRP C 1 1 5 1243 1 1 10 TRP CA C 1.133 -7.087 -0.448 1.00 . A A . 10 TRP CA 1 1 5 1244 1 1 10 TRP CB C 1.782 -6.936 -1.831 1.00 . A A . 10 TRP CB 1 1 5 1245 1 1 10 TRP CD1 C 0.801 -6.072 -3.984 1.00 . A A . 10 TRP CD1 1 1 5 1246 1 1 10 TRP CD2 C -0.539 -7.566 -2.983 1.00 . A A . 10 TRP CD2 1 1 5 1247 1 1 10 TRP CE2 C -1.194 -7.170 -4.166 1.00 . A A . 10 TRP CE2 1 1 5 1248 1 1 10 TRP CE3 C -1.171 -8.501 -2.164 1.00 . A A . 10 TRP CE3 1 1 5 1249 1 1 10 TRP CG C 0.731 -6.860 -2.894 1.00 . A A . 10 TRP CG 1 1 5 1250 1 1 10 TRP CH2 C -3.059 -8.622 -3.693 1.00 . A A . 10 TRP CH2 1 1 5 1251 1 1 10 TRP CZ2 C -2.439 -7.687 -4.524 1.00 . A A . 10 TRP CZ2 1 1 5 1252 1 1 10 TRP CZ3 C -2.425 -9.029 -2.512 1.00 . A A . 10 TRP CZ3 1 1 5 1253 1 1 10 TRP H H 0.061 -5.335 -1.044 1.00 . A A . 10 TRP H 1 1 5 1254 1 1 10 TRP HA H 0.772 -8.094 -0.317 1.00 . A A . 10 TRP HA 1 1 5 1255 1 1 10 TRP HB2 H 2.362 -6.028 -1.854 1.00 . A A . 10 TRP HB2 1 1 5 1256 1 1 10 TRP HB3 H 2.425 -7.780 -2.020 1.00 . A A . 10 TRP HB3 1 1 5 1257 1 1 10 TRP HD1 H 1.617 -5.406 -4.226 1.00 . A A . 10 TRP HD1 1 1 5 1258 1 1 10 TRP HE1 H -0.535 -5.817 -5.578 1.00 . A A . 10 TRP HE1 1 1 5 1259 1 1 10 TRP HE3 H -0.692 -8.811 -1.262 1.00 . A A . 10 TRP HE3 1 1 5 1260 1 1 10 TRP HH2 H -4.023 -9.029 -3.960 1.00 . A A . 10 TRP HH2 1 1 5 1261 1 1 10 TRP HZ2 H -2.920 -7.368 -5.436 1.00 . A A . 10 TRP HZ2 1 1 5 1262 1 1 10 TRP HZ3 H -2.902 -9.752 -1.867 1.00 . A A . 10 TRP HZ3 1 1 5 1263 1 1 10 TRP N N 0.000 -6.127 -0.475 1.00 . A A . 10 TRP N 1 1 5 1264 1 1 10 TRP NE1 N -0.339 -6.261 -4.741 1.00 . A A . 10 TRP NE1 1 1 5 1265 1 1 10 TRP O O 1.775 -6.820 1.851 1.00 . A A . 10 TRP O 1 1 5 1266 1 1 11 LYS C C 5.395 -5.084 0.749 1.00 . A A . 11 LYS C 1 1 5 1267 1 1 11 LYS CA C 4.270 -5.873 1.410 1.00 . A A . 11 LYS CA 1 1 5 1268 1 1 11 LYS CB C 4.784 -7.180 2.027 1.00 . A A . 11 LYS CB 1 1 5 1269 1 1 11 LYS CD C 4.713 -8.708 0.058 1.00 . A A . 11 LYS CD 1 1 5 1270 1 1 11 LYS CE C 5.090 -8.377 -1.388 1.00 . A A . 11 LYS CE 1 1 5 1271 1 1 11 LYS CG C 5.633 -7.950 1.014 1.00 . A A . 11 LYS CG 1 1 5 1272 1 1 11 LYS H H 3.542 -6.169 -0.584 1.00 . A A . 11 LYS H 1 1 5 1273 1 1 11 LYS HA H 3.786 -5.283 2.158 1.00 . A A . 11 LYS HA 1 1 5 1274 1 1 11 LYS HB2 H 5.386 -6.952 2.896 1.00 . A A . 11 LYS HB2 1 1 5 1275 1 1 11 LYS HB3 H 3.944 -7.788 2.325 1.00 . A A . 11 LYS HB3 1 1 5 1276 1 1 11 LYS HD2 H 4.817 -9.771 0.226 1.00 . A A . 11 LYS HD2 1 1 5 1277 1 1 11 LYS HD3 H 3.693 -8.413 0.241 1.00 . A A . 11 LYS HD3 1 1 5 1278 1 1 11 LYS HE2 H 4.356 -7.715 -1.824 1.00 . A A . 11 LYS HE2 1 1 5 1279 1 1 11 LYS HE3 H 6.072 -7.933 -1.429 1.00 . A A . 11 LYS HE3 1 1 5 1280 1 1 11 LYS HG2 H 6.243 -7.257 0.458 1.00 . A A . 11 LYS HG2 1 1 5 1281 1 1 11 LYS HG3 H 6.266 -8.653 1.535 1.00 . A A . 11 LYS HG3 1 1 5 1282 1 1 11 LYS HZ1 H 5.746 -10.340 -1.614 1.00 . A A . 11 LYS HZ1 1 1 5 1283 1 1 11 LYS HZ2 H 5.404 -9.551 -3.078 1.00 . A A . 11 LYS HZ2 1 1 5 1284 1 1 11 LYS HZ3 H 4.136 -10.092 -2.084 1.00 . A A . 11 LYS HZ3 1 1 5 1285 1 1 11 LYS N N 3.292 -6.264 0.360 1.00 . A A . 11 LYS N 1 1 5 1286 1 1 11 LYS NZ N 5.095 -9.689 -2.095 1.00 . A A . 11 LYS NZ 1 1 5 1287 1 1 11 LYS O O 6.536 -5.140 1.159 1.00 . A A . 11 LYS O 1 1 5 1288 1 1 12 LYS C C 7.492 -3.849 -0.687 1.00 . A A . 12 LYS C 1 1 5 1289 1 1 12 LYS CA C 6.035 -3.558 -1.083 1.00 . A A . 12 LYS CA 1 1 5 1290 1 1 12 LYS CB C 5.679 -2.079 -0.834 1.00 . A A . 12 LYS CB 1 1 5 1291 1 1 12 LYS CD C 5.877 -2.261 1.653 1.00 . A A . 12 LYS CD 1 1 5 1292 1 1 12 LYS CE C 6.619 -1.006 2.120 1.00 . A A . 12 LYS CE 1 1 5 1293 1 1 12 LYS CG C 4.941 -1.902 0.501 1.00 . A A . 12 LYS CG 1 1 5 1294 1 1 12 LYS H H 4.117 -4.379 -0.590 1.00 . A A . 12 LYS H 1 1 5 1295 1 1 12 LYS HA H 5.898 -3.780 -2.124 1.00 . A A . 12 LYS HA 1 1 5 1296 1 1 12 LYS HB2 H 6.586 -1.493 -0.818 1.00 . A A . 12 LYS HB2 1 1 5 1297 1 1 12 LYS HB3 H 5.046 -1.727 -1.637 1.00 . A A . 12 LYS HB3 1 1 5 1298 1 1 12 LYS HD2 H 5.301 -2.668 2.472 1.00 . A A . 12 LYS HD2 1 1 5 1299 1 1 12 LYS HD3 H 6.591 -2.993 1.317 1.00 . A A . 12 LYS HD3 1 1 5 1300 1 1 12 LYS HE2 H 7.455 -0.801 1.467 1.00 . A A . 12 LYS HE2 1 1 5 1301 1 1 12 LYS HE3 H 5.948 -0.163 2.153 1.00 . A A . 12 LYS HE3 1 1 5 1302 1 1 12 LYS HG2 H 4.628 -0.874 0.602 1.00 . A A . 12 LYS HG2 1 1 5 1303 1 1 12 LYS HG3 H 4.076 -2.545 0.526 1.00 . A A . 12 LYS HG3 1 1 5 1304 1 1 12 LYS HZ1 H 6.285 -1.576 4.095 1.00 . A A . 12 LYS HZ1 1 1 5 1305 1 1 12 LYS HZ2 H 7.590 -0.507 3.891 1.00 . A A . 12 LYS HZ2 1 1 5 1306 1 1 12 LYS HZ3 H 7.749 -2.140 3.451 1.00 . A A . 12 LYS HZ3 1 1 5 1307 1 1 12 LYS N N 5.051 -4.369 -0.299 1.00 . A A . 12 LYS N 1 1 5 1308 1 1 12 LYS NZ N 7.097 -1.332 3.493 1.00 . A A . 12 LYS NZ 1 1 5 1309 1 1 12 LYS O O 7.917 -4.979 -0.866 1.00 . A A . 12 LYS O 1 1 5 1310 1 1 12 LYS OXT O 8.156 -2.938 -0.218 1.00 . A A . 12 LYS OXT 1 1 6 1311 1 1 1 ARG C C 2.175 7.939 -3.018 1.00 . A A . 1 ARG C 1 1 6 1312 1 1 1 ARG CA C 2.790 8.113 -4.408 1.00 . A A . 1 ARG CA 1 1 6 1313 1 1 1 ARG CB C 2.064 9.211 -5.186 1.00 . A A . 1 ARG CB 1 1 6 1314 1 1 1 ARG CD C 2.574 11.276 -3.874 1.00 . A A . 1 ARG CD 1 1 6 1315 1 1 1 ARG CG C 2.883 10.499 -5.154 1.00 . A A . 1 ARG CG 1 1 6 1316 1 1 1 ARG CZ C 3.223 10.984 -1.555 1.00 . A A . 1 ARG CZ 1 1 6 1317 1 1 1 ARG H1 H 1.583 6.634 -5.241 1.00 . A A . 1 ARG H1 1 1 6 1318 1 1 1 ARG H2 H 3.127 6.092 -4.784 1.00 . A A . 1 ARG H2 1 1 6 1319 1 1 1 ARG H3 H 2.935 7.033 -6.184 1.00 . A A . 1 ARG H3 1 1 6 1320 1 1 1 ARG HA H 3.840 8.348 -4.330 1.00 . A A . 1 ARG HA 1 1 6 1321 1 1 1 ARG HB2 H 1.932 8.896 -6.211 1.00 . A A . 1 ARG HB2 1 1 6 1322 1 1 1 ARG HB3 H 1.101 9.395 -4.742 1.00 . A A . 1 ARG HB3 1 1 6 1323 1 1 1 ARG HD2 H 2.916 12.298 -3.967 1.00 . A A . 1 ARG HD2 1 1 6 1324 1 1 1 ARG HD3 H 1.517 11.250 -3.672 1.00 . A A . 1 ARG HD3 1 1 6 1325 1 1 1 ARG HE H 3.891 9.806 -3.006 1.00 . A A . 1 ARG HE 1 1 6 1326 1 1 1 ARG HG2 H 3.936 10.262 -5.190 1.00 . A A . 1 ARG HG2 1 1 6 1327 1 1 1 ARG HG3 H 2.618 11.102 -6.002 1.00 . A A . 1 ARG HG3 1 1 6 1328 1 1 1 ARG HH11 H 1.307 11.545 -1.728 1.00 . A A . 1 ARG HH11 1 1 6 1329 1 1 1 ARG HH12 H 2.023 11.794 -0.171 1.00 . A A . 1 ARG HH12 1 1 6 1330 1 1 1 ARG HH21 H 5.114 10.521 -1.090 1.00 . A A . 1 ARG HH21 1 1 6 1331 1 1 1 ARG HH22 H 4.176 11.215 0.190 1.00 . A A . 1 ARG HH22 1 1 6 1332 1 1 1 ARG N N 2.594 6.874 -5.215 1.00 . A A . 1 ARG N 1 1 6 1333 1 1 1 ARG NE N 3.321 10.573 -2.791 1.00 . A A . 1 ARG NE 1 1 6 1334 1 1 1 ARG NH1 N 2.096 11.480 -1.117 1.00 . A A . 1 ARG NH1 1 1 6 1335 1 1 1 ARG NH2 N 4.251 10.900 -0.757 1.00 . A A . 1 ARG NH2 1 1 6 1336 1 1 1 ARG O O 2.825 8.141 -2.010 1.00 . A A . 1 ARG O 1 1 6 1337 1 1 2 GLN C C 0.789 6.102 -0.956 1.00 . A A . 2 GLN C 1 1 6 1338 1 1 2 GLN CA C 0.266 7.372 -1.628 1.00 . A A . 2 GLN CA 1 1 6 1339 1 1 2 GLN CB C -1.223 7.240 -1.939 1.00 . A A . 2 GLN CB 1 1 6 1340 1 1 2 GLN CD C -1.827 9.445 -0.935 1.00 . A A . 2 GLN CD 1 1 6 1341 1 1 2 GLN CG C -2.030 7.932 -0.842 1.00 . A A . 2 GLN CG 1 1 6 1342 1 1 2 GLN H H 0.420 7.405 -3.780 1.00 . A A . 2 GLN H 1 1 6 1343 1 1 2 GLN HA H 0.434 8.228 -0.998 1.00 . A A . 2 GLN HA 1 1 6 1344 1 1 2 GLN HB2 H -1.436 7.702 -2.893 1.00 . A A . 2 GLN HB2 1 1 6 1345 1 1 2 GLN HB3 H -1.490 6.195 -1.972 1.00 . A A . 2 GLN HB3 1 1 6 1346 1 1 2 GLN HE21 H -0.987 9.579 0.863 1.00 . A A . 2 GLN HE21 1 1 6 1347 1 1 2 GLN HE22 H -1.137 11.050 0.012 1.00 . A A . 2 GLN HE22 1 1 6 1348 1 1 2 GLN HG2 H -3.076 7.700 -0.969 1.00 . A A . 2 GLN HG2 1 1 6 1349 1 1 2 GLN HG3 H -1.695 7.584 0.124 1.00 . A A . 2 GLN HG3 1 1 6 1350 1 1 2 GLN N N 0.924 7.562 -2.954 1.00 . A A . 2 GLN N 1 1 6 1351 1 1 2 GLN NE2 N -1.271 10.078 0.063 1.00 . A A . 2 GLN NE2 1 1 6 1352 1 1 2 GLN O O 0.980 6.061 0.240 1.00 . A A . 2 GLN O 1 1 6 1353 1 1 2 GLN OE1 O -2.177 10.058 -1.924 1.00 . A A . 2 GLN OE1 1 1 6 1354 1 1 3 ILE C C 0.991 3.441 0.194 1.00 . A A . 3 ILE C 1 1 6 1355 1 1 3 ILE CA C 1.572 3.805 -1.188 1.00 . A A . 3 ILE CA 1 1 6 1356 1 1 3 ILE CB C 3.082 4.035 -1.161 1.00 . A A . 3 ILE CB 1 1 6 1357 1 1 3 ILE CD1 C 3.360 1.691 -0.395 1.00 . A A . 3 ILE CD1 1 1 6 1358 1 1 3 ILE CG1 C 3.757 2.711 -1.464 1.00 . A A . 3 ILE CG1 1 1 6 1359 1 1 3 ILE CG2 C 3.560 4.582 0.192 1.00 . A A . 3 ILE CG2 1 1 6 1360 1 1 3 ILE H H 0.902 5.153 -2.689 1.00 . A A . 3 ILE H 1 1 6 1361 1 1 3 ILE HA H 1.361 3.005 -1.885 1.00 . A A . 3 ILE HA 1 1 6 1362 1 1 3 ILE HB H 3.329 4.739 -1.937 1.00 . A A . 3 ILE HB 1 1 6 1363 1 1 3 ILE HD11 H 3.590 2.091 0.583 1.00 . A A . 3 ILE HD11 1 1 6 1364 1 1 3 ILE HD12 H 3.902 0.775 -0.548 1.00 . A A . 3 ILE HD12 1 1 6 1365 1 1 3 ILE HD13 H 2.298 1.500 -0.461 1.00 . A A . 3 ILE HD13 1 1 6 1366 1 1 3 ILE HG12 H 3.419 2.373 -2.435 1.00 . A A . 3 ILE HG12 1 1 6 1367 1 1 3 ILE HG13 H 4.830 2.838 -1.469 1.00 . A A . 3 ILE HG13 1 1 6 1368 1 1 3 ILE HG21 H 3.938 3.771 0.795 1.00 . A A . 3 ILE HG21 1 1 6 1369 1 1 3 ILE HG22 H 2.740 5.058 0.704 1.00 . A A . 3 ILE HG22 1 1 6 1370 1 1 3 ILE HG23 H 4.347 5.303 0.029 1.00 . A A . 3 ILE HG23 1 1 6 1371 1 1 3 ILE N N 1.040 5.079 -1.729 1.00 . A A . 3 ILE N 1 1 6 1372 1 1 3 ILE O O 1.698 3.026 1.091 1.00 . A A . 3 ILE O 1 1 6 1373 1 1 4 LYS C C -1.870 2.029 1.441 1.00 . A A . 4 LYS C 1 1 6 1374 1 1 4 LYS CA C -0.904 3.189 1.662 1.00 . A A . 4 LYS CA 1 1 6 1375 1 1 4 LYS CB C -1.613 4.447 2.131 1.00 . A A . 4 LYS CB 1 1 6 1376 1 1 4 LYS CD C -0.787 6.135 3.780 1.00 . A A . 4 LYS CD 1 1 6 1377 1 1 4 LYS CE C 0.313 5.666 4.738 1.00 . A A . 4 LYS CE 1 1 6 1378 1 1 4 LYS CG C -0.562 5.516 2.394 1.00 . A A . 4 LYS CG 1 1 6 1379 1 1 4 LYS H H -0.862 3.879 -0.364 1.00 . A A . 4 LYS H 1 1 6 1380 1 1 4 LYS HA H -0.139 2.908 2.367 1.00 . A A . 4 LYS HA 1 1 6 1381 1 1 4 LYS HB2 H -2.303 4.786 1.373 1.00 . A A . 4 LYS HB2 1 1 6 1382 1 1 4 LYS HB3 H -2.134 4.240 3.035 1.00 . A A . 4 LYS HB3 1 1 6 1383 1 1 4 LYS HD2 H -0.759 7.212 3.700 1.00 . A A . 4 LYS HD2 1 1 6 1384 1 1 4 LYS HD3 H -1.748 5.828 4.161 1.00 . A A . 4 LYS HD3 1 1 6 1385 1 1 4 LYS HE2 H -0.115 5.397 5.695 1.00 . A A . 4 LYS HE2 1 1 6 1386 1 1 4 LYS HE3 H 0.850 4.830 4.317 1.00 . A A . 4 LYS HE3 1 1 6 1387 1 1 4 LYS HG2 H 0.413 5.053 2.354 1.00 . A A . 4 LYS HG2 1 1 6 1388 1 1 4 LYS HG3 H -0.632 6.285 1.641 1.00 . A A . 4 LYS HG3 1 1 6 1389 1 1 4 LYS HZ1 H 1.559 7.133 3.945 1.00 . A A . 4 LYS HZ1 1 1 6 1390 1 1 4 LYS HZ2 H 2.034 6.573 5.478 1.00 . A A . 4 LYS HZ2 1 1 6 1391 1 1 4 LYS HZ3 H 0.706 7.624 5.327 1.00 . A A . 4 LYS HZ3 1 1 6 1392 1 1 4 LYS N N -0.295 3.562 0.363 1.00 . A A . 4 LYS N 1 1 6 1393 1 1 4 LYS NZ N 1.222 6.837 4.883 1.00 . A A . 4 LYS NZ 1 1 6 1394 1 1 4 LYS O O -1.829 1.034 2.137 1.00 . A A . 4 LYS O 1 1 6 1395 1 1 5 ILE C C -2.751 -0.128 -0.441 1.00 . A A . 5 ILE C 1 1 6 1396 1 1 5 ILE CA C -3.614 0.995 0.125 1.00 . A A . 5 ILE CA 1 1 6 1397 1 1 5 ILE CB C -4.572 1.529 -0.940 1.00 . A A . 5 ILE CB 1 1 6 1398 1 1 5 ILE CD1 C -5.726 3.633 -1.600 1.00 . A A . 5 ILE CD1 1 1 6 1399 1 1 5 ILE CG1 C -5.282 2.774 -0.417 1.00 . A A . 5 ILE CG1 1 1 6 1400 1 1 5 ILE CG2 C -5.608 0.459 -1.285 1.00 . A A . 5 ILE CG2 1 1 6 1401 1 1 5 ILE H H -2.674 2.913 -0.139 1.00 . A A . 5 ILE H 1 1 6 1402 1 1 5 ILE HA H -4.151 0.673 1.005 1.00 . A A . 5 ILE HA 1 1 6 1403 1 1 5 ILE HB H -4.011 1.787 -1.824 1.00 . A A . 5 ILE HB 1 1 6 1404 1 1 5 ILE HD11 H -6.390 4.410 -1.251 1.00 . A A . 5 ILE HD11 1 1 6 1405 1 1 5 ILE HD12 H -6.239 3.015 -2.320 1.00 . A A . 5 ILE HD12 1 1 6 1406 1 1 5 ILE HD13 H -4.859 4.082 -2.063 1.00 . A A . 5 ILE HD13 1 1 6 1407 1 1 5 ILE HG12 H -6.142 2.484 0.167 1.00 . A A . 5 ILE HG12 1 1 6 1408 1 1 5 ILE HG13 H -4.602 3.339 0.196 1.00 . A A . 5 ILE HG13 1 1 6 1409 1 1 5 ILE HG21 H -6.124 0.737 -2.192 1.00 . A A . 5 ILE HG21 1 1 6 1410 1 1 5 ILE HG22 H -6.320 0.372 -0.478 1.00 . A A . 5 ILE HG22 1 1 6 1411 1 1 5 ILE HG23 H -5.111 -0.489 -1.431 1.00 . A A . 5 ILE HG23 1 1 6 1412 1 1 5 ILE N N -2.695 2.123 0.438 1.00 . A A . 5 ILE N 1 1 6 1413 1 1 5 ILE O O -2.991 -1.300 -0.231 1.00 . A A . 5 ILE O 1 1 6 1414 1 1 6 TRP C C -0.072 -1.442 -0.584 1.00 . A A . 6 TRP C 1 1 6 1415 1 1 6 TRP CA C -0.760 -0.722 -1.714 1.00 . A A . 6 TRP CA 1 1 6 1416 1 1 6 TRP CB C 0.267 0.134 -2.456 1.00 . A A . 6 TRP CB 1 1 6 1417 1 1 6 TRP CD1 C -0.262 0.155 -4.871 1.00 . A A . 6 TRP CD1 1 1 6 1418 1 1 6 TRP CD2 C -1.110 1.930 -3.820 1.00 . A A . 6 TRP CD2 1 1 6 1419 1 1 6 TRP CE2 C -1.483 2.053 -5.176 1.00 . A A . 6 TRP CE2 1 1 6 1420 1 1 6 TRP CE3 C -1.516 2.928 -2.923 1.00 . A A . 6 TRP CE3 1 1 6 1421 1 1 6 TRP CG C -0.345 0.710 -3.668 1.00 . A A . 6 TRP CG 1 1 6 1422 1 1 6 TRP CH2 C -2.636 4.118 -4.729 1.00 . A A . 6 TRP CH2 1 1 6 1423 1 1 6 TRP CZ2 C -2.236 3.129 -5.632 1.00 . A A . 6 TRP CZ2 1 1 6 1424 1 1 6 TRP CZ3 C -2.276 4.019 -3.376 1.00 . A A . 6 TRP CZ3 1 1 6 1425 1 1 6 TRP H H -1.551 1.214 -1.253 1.00 . A A . 6 TRP H 1 1 6 1426 1 1 6 TRP HA H -1.253 -1.404 -2.372 1.00 . A A . 6 TRP HA 1 1 6 1427 1 1 6 TRP HB2 H 0.599 0.932 -1.819 1.00 . A A . 6 TRP HB2 1 1 6 1428 1 1 6 TRP HB3 H 1.113 -0.476 -2.735 1.00 . A A . 6 TRP HB3 1 1 6 1429 1 1 6 TRP HD1 H 0.250 -0.754 -5.076 1.00 . A A . 6 TRP HD1 1 1 6 1430 1 1 6 TRP HE1 H -1.032 0.745 -6.734 1.00 . A A . 6 TRP HE1 1 1 6 1431 1 1 6 TRP HE3 H -1.234 2.853 -1.879 1.00 . A A . 6 TRP HE3 1 1 6 1432 1 1 6 TRP HH2 H -3.221 4.957 -5.074 1.00 . A A . 6 TRP HH2 1 1 6 1433 1 1 6 TRP HZ2 H -2.508 3.195 -6.673 1.00 . A A . 6 TRP HZ2 1 1 6 1434 1 1 6 TRP HZ3 H -2.587 4.784 -2.680 1.00 . A A . 6 TRP HZ3 1 1 6 1435 1 1 6 TRP N N -1.715 0.259 -1.135 1.00 . A A . 6 TRP N 1 1 6 1436 1 1 6 TRP NE1 N -0.939 0.938 -5.779 1.00 . A A . 6 TRP NE1 1 1 6 1437 1 1 6 TRP O O -0.126 -2.648 -0.447 1.00 . A A . 6 TRP O 1 1 6 1438 1 1 7 PHE C C 0.291 -2.149 2.202 1.00 . A A . 7 PHE C 1 1 6 1439 1 1 7 PHE CA C 1.256 -1.242 1.431 1.00 . A A . 7 PHE CA 1 1 6 1440 1 1 7 PHE CB C 1.629 -0.019 2.276 1.00 . A A . 7 PHE CB 1 1 6 1441 1 1 7 PHE CD1 C 3.408 -0.971 3.784 1.00 . A A . 7 PHE CD1 1 1 6 1442 1 1 7 PHE CD2 C 1.266 -0.364 4.747 1.00 . A A . 7 PHE CD2 1 1 6 1443 1 1 7 PHE CE1 C 3.859 -1.382 5.044 1.00 . A A . 7 PHE CE1 1 1 6 1444 1 1 7 PHE CE2 C 1.717 -0.774 6.008 1.00 . A A . 7 PHE CE2 1 1 6 1445 1 1 7 PHE CG C 2.114 -0.462 3.636 1.00 . A A . 7 PHE CG 1 1 6 1446 1 1 7 PHE CZ C 3.013 -1.283 6.156 1.00 . A A . 7 PHE CZ 1 1 6 1447 1 1 7 PHE H H 0.544 0.298 0.087 1.00 . A A . 7 PHE H 1 1 6 1448 1 1 7 PHE HA H 2.142 -1.781 1.136 1.00 . A A . 7 PHE HA 1 1 6 1449 1 1 7 PHE HB2 H 2.407 0.538 1.777 1.00 . A A . 7 PHE HB2 1 1 6 1450 1 1 7 PHE HB3 H 0.759 0.610 2.395 1.00 . A A . 7 PHE HB3 1 1 6 1451 1 1 7 PHE HD1 H 4.057 -1.048 2.926 1.00 . A A . 7 PHE HD1 1 1 6 1452 1 1 7 PHE HD2 H 0.265 0.028 4.631 1.00 . A A . 7 PHE HD2 1 1 6 1453 1 1 7 PHE HE1 H 4.858 -1.774 5.159 1.00 . A A . 7 PHE HE1 1 1 6 1454 1 1 7 PHE HE2 H 1.066 -0.699 6.865 1.00 . A A . 7 PHE HE2 1 1 6 1455 1 1 7 PHE HZ H 3.361 -1.600 7.129 1.00 . A A . 7 PHE HZ 1 1 6 1456 1 1 7 PHE N N 0.557 -0.674 0.245 1.00 . A A . 7 PHE N 1 1 6 1457 1 1 7 PHE O O 0.690 -2.978 2.995 1.00 . A A . 7 PHE O 1 1 6 1458 1 1 8 ARG C C -2.339 -4.050 1.892 1.00 . A A . 8 ARG C 1 1 6 1459 1 1 8 ARG CA C -2.001 -2.777 2.675 1.00 . A A . 8 ARG CA 1 1 6 1460 1 1 8 ARG CB C -3.186 -1.832 2.719 1.00 . A A . 8 ARG CB 1 1 6 1461 1 1 8 ARG CD C -3.268 -1.816 5.178 1.00 . A A . 8 ARG CD 1 1 6 1462 1 1 8 ARG CG C -4.057 -2.165 3.919 1.00 . A A . 8 ARG CG 1 1 6 1463 1 1 8 ARG CZ C -4.333 -0.956 7.175 1.00 . A A . 8 ARG CZ 1 1 6 1464 1 1 8 ARG H H -1.276 -1.284 1.343 1.00 . A A . 8 ARG H 1 1 6 1465 1 1 8 ARG HA H -1.683 -3.009 3.675 1.00 . A A . 8 ARG HA 1 1 6 1466 1 1 8 ARG HB2 H -2.815 -0.824 2.820 1.00 . A A . 8 ARG HB2 1 1 6 1467 1 1 8 ARG HB3 H -3.751 -1.921 1.808 1.00 . A A . 8 ARG HB3 1 1 6 1468 1 1 8 ARG HD2 H -3.119 -2.700 5.783 1.00 . A A . 8 ARG HD2 1 1 6 1469 1 1 8 ARG HD3 H -2.315 -1.378 4.904 1.00 . A A . 8 ARG HD3 1 1 6 1470 1 1 8 ARG HE H -4.485 -0.056 5.412 1.00 . A A . 8 ARG HE 1 1 6 1471 1 1 8 ARG HG2 H -4.967 -1.585 3.881 1.00 . A A . 8 ARG HG2 1 1 6 1472 1 1 8 ARG HG3 H -4.292 -3.218 3.918 1.00 . A A . 8 ARG HG3 1 1 6 1473 1 1 8 ARG HH11 H -2.420 -0.691 7.701 1.00 . A A . 8 ARG HH11 1 1 6 1474 1 1 8 ARG HH12 H -3.523 -0.973 9.006 1.00 . A A . 8 ARG HH12 1 1 6 1475 1 1 8 ARG HH21 H -6.300 -1.255 6.948 1.00 . A A . 8 ARG HH21 1 1 6 1476 1 1 8 ARG HH22 H -5.720 -1.292 8.579 1.00 . A A . 8 ARG HH22 1 1 6 1477 1 1 8 ARG N N -0.982 -1.971 1.975 1.00 . A A . 8 ARG N 1 1 6 1478 1 1 8 ARG NE N -4.105 -0.818 5.898 1.00 . A A . 8 ARG NE 1 1 6 1479 1 1 8 ARG NH1 N -3.348 -0.867 8.027 1.00 . A A . 8 ARG NH1 1 1 6 1480 1 1 8 ARG NH2 N -5.545 -1.186 7.601 1.00 . A A . 8 ARG NH2 1 1 6 1481 1 1 8 ARG O O -2.966 -4.954 2.408 1.00 . A A . 8 ARG O 1 1 6 1482 1 1 9 LYS C C -1.065 -6.322 -0.102 1.00 . A A . 9 LYS C 1 1 6 1483 1 1 9 LYS CA C -2.240 -5.343 -0.157 1.00 . A A . 9 LYS CA 1 1 6 1484 1 1 9 LYS CB C -2.444 -4.826 -1.581 1.00 . A A . 9 LYS CB 1 1 6 1485 1 1 9 LYS CD C -4.909 -5.240 -1.647 1.00 . A A . 9 LYS CD 1 1 6 1486 1 1 9 LYS CE C -6.280 -4.585 -1.831 1.00 . A A . 9 LYS CE 1 1 6 1487 1 1 9 LYS CG C -3.820 -4.167 -1.693 1.00 . A A . 9 LYS CG 1 1 6 1488 1 1 9 LYS H H -1.431 -3.390 0.251 1.00 . A A . 9 LYS H 1 1 6 1489 1 1 9 LYS HA H -3.141 -5.815 0.199 1.00 . A A . 9 LYS HA 1 1 6 1490 1 1 9 LYS HB2 H -1.679 -4.097 -1.811 1.00 . A A . 9 LYS HB2 1 1 6 1491 1 1 9 LYS HB3 H -2.383 -5.649 -2.275 1.00 . A A . 9 LYS HB3 1 1 6 1492 1 1 9 LYS HD2 H -4.742 -5.956 -2.439 1.00 . A A . 9 LYS HD2 1 1 6 1493 1 1 9 LYS HD3 H -4.879 -5.745 -0.694 1.00 . A A . 9 LYS HD3 1 1 6 1494 1 1 9 LYS HE2 H -6.466 -3.877 -1.036 1.00 . A A . 9 LYS HE2 1 1 6 1495 1 1 9 LYS HE3 H -6.339 -4.098 -2.792 1.00 . A A . 9 LYS HE3 1 1 6 1496 1 1 9 LYS HG2 H -3.954 -3.480 -0.872 1.00 . A A . 9 LYS HG2 1 1 6 1497 1 1 9 LYS HG3 H -3.885 -3.630 -2.627 1.00 . A A . 9 LYS HG3 1 1 6 1498 1 1 9 LYS HZ1 H -7.098 -6.351 -2.571 1.00 . A A . 9 LYS HZ1 1 1 6 1499 1 1 9 LYS HZ2 H -8.224 -5.330 -1.813 1.00 . A A . 9 LYS HZ2 1 1 6 1500 1 1 9 LYS HZ3 H -7.128 -6.231 -0.879 1.00 . A A . 9 LYS HZ3 1 1 6 1501 1 1 9 LYS N N -1.934 -4.128 0.652 1.00 . A A . 9 LYS N 1 1 6 1502 1 1 9 LYS NZ N -7.256 -5.709 -1.768 1.00 . A A . 9 LYS NZ 1 1 6 1503 1 1 9 LYS O O -1.142 -7.364 0.520 1.00 . A A . 9 LYS O 1 1 6 1504 1 1 10 TRP C C 2.091 -6.567 0.469 1.00 . A A . 10 TRP C 1 1 6 1505 1 1 10 TRP CA C 1.199 -6.898 -0.742 1.00 . A A . 10 TRP CA 1 1 6 1506 1 1 10 TRP CB C 1.916 -6.589 -2.065 1.00 . A A . 10 TRP CB 1 1 6 1507 1 1 10 TRP CD1 C 1.054 -5.531 -4.172 1.00 . A A . 10 TRP CD1 1 1 6 1508 1 1 10 TRP CD2 C -0.298 -7.161 -3.435 1.00 . A A . 10 TRP CD2 1 1 6 1509 1 1 10 TRP CE2 C -0.886 -6.656 -4.612 1.00 . A A . 10 TRP CE2 1 1 6 1510 1 1 10 TRP CE3 C -0.952 -8.197 -2.766 1.00 . A A . 10 TRP CE3 1 1 6 1511 1 1 10 TRP CG C 0.936 -6.433 -3.180 1.00 . A A . 10 TRP CG 1 1 6 1512 1 1 10 TRP CH2 C -2.726 -8.202 -4.430 1.00 . A A . 10 TRP CH2 1 1 6 1513 1 1 10 TRP CZ2 C -2.085 -7.165 -5.111 1.00 . A A . 10 TRP CZ2 1 1 6 1514 1 1 10 TRP CZ3 C -2.160 -8.718 -3.257 1.00 . A A . 10 TRP CZ3 1 1 6 1515 1 1 10 TRP H H 0.066 -5.156 -1.245 1.00 . A A . 10 TRP H 1 1 6 1516 1 1 10 TRP HA H 0.890 -7.930 -0.717 1.00 . A A . 10 TRP HA 1 1 6 1517 1 1 10 TRP HB2 H 2.461 -5.665 -1.963 1.00 . A A . 10 TRP HB2 1 1 6 1518 1 1 10 TRP HB3 H 2.602 -7.388 -2.297 1.00 . A A . 10 TRP HB3 1 1 6 1519 1 1 10 TRP HD1 H 1.864 -4.822 -4.281 1.00 . A A . 10 TRP HD1 1 1 6 1520 1 1 10 TRP HE1 H -0.179 -5.139 -5.821 1.00 . A A . 10 TRP HE1 1 1 6 1521 1 1 10 TRP HE3 H -0.523 -8.591 -1.871 1.00 . A A . 10 TRP HE3 1 1 6 1522 1 1 10 TRP HH2 H -3.655 -8.603 -4.806 1.00 . A A . 10 TRP HH2 1 1 6 1523 1 1 10 TRP HZ2 H -2.514 -6.761 -6.016 1.00 . A A . 10 TRP HZ2 1 1 6 1524 1 1 10 TRP HZ3 H -2.654 -9.520 -2.730 1.00 . A A . 10 TRP HZ3 1 1 6 1525 1 1 10 TRP N N 0.021 -5.996 -0.750 1.00 . A A . 10 TRP N 1 1 6 1526 1 1 10 TRP NE1 N -0.025 -5.667 -5.024 1.00 . A A . 10 TRP NE1 1 1 6 1527 1 1 10 TRP O O 1.701 -6.750 1.605 1.00 . A A . 10 TRP O 1 1 6 1528 1 1 11 LYS C C 5.170 -4.676 0.762 1.00 . A A . 11 LYS C 1 1 6 1529 1 1 11 LYS CA C 4.191 -5.686 1.336 1.00 . A A . 11 LYS CA 1 1 6 1530 1 1 11 LYS CB C 4.914 -6.970 1.756 1.00 . A A . 11 LYS CB 1 1 6 1531 1 1 11 LYS CD C 4.347 -8.844 0.225 1.00 . A A . 11 LYS CD 1 1 6 1532 1 1 11 LYS CE C 4.200 -9.023 -1.288 1.00 . A A . 11 LYS CE 1 1 6 1533 1 1 11 LYS CG C 5.363 -7.744 0.518 1.00 . A A . 11 LYS CG 1 1 6 1534 1 1 11 LYS H H 3.561 -5.901 -0.689 1.00 . A A . 11 LYS H 1 1 6 1535 1 1 11 LYS HA H 3.641 -5.275 2.161 1.00 . A A . 11 LYS HA 1 1 6 1536 1 1 11 LYS HB2 H 5.776 -6.716 2.355 1.00 . A A . 11 LYS HB2 1 1 6 1537 1 1 11 LYS HB3 H 4.243 -7.584 2.337 1.00 . A A . 11 LYS HB3 1 1 6 1538 1 1 11 LYS HD2 H 4.683 -9.772 0.668 1.00 . A A . 11 LYS HD2 1 1 6 1539 1 1 11 LYS HD3 H 3.393 -8.566 0.650 1.00 . A A . 11 LYS HD3 1 1 6 1540 1 1 11 LYS HE2 H 3.175 -9.259 -1.539 1.00 . A A . 11 LYS HE2 1 1 6 1541 1 1 11 LYS HE3 H 4.521 -8.131 -1.804 1.00 . A A . 11 LYS HE3 1 1 6 1542 1 1 11 LYS HG2 H 5.421 -7.070 -0.324 1.00 . A A . 11 LYS HG2 1 1 6 1543 1 1 11 LYS HG3 H 6.332 -8.186 0.698 1.00 . A A . 11 LYS HG3 1 1 6 1544 1 1 11 LYS HZ1 H 4.805 -11.005 -1.098 1.00 . A A . 11 LYS HZ1 1 1 6 1545 1 1 11 LYS HZ2 H 6.078 -9.915 -1.380 1.00 . A A . 11 LYS HZ2 1 1 6 1546 1 1 11 LYS HZ3 H 5.037 -10.358 -2.648 1.00 . A A . 11 LYS HZ3 1 1 6 1547 1 1 11 LYS N N 3.272 -6.061 0.231 1.00 . A A . 11 LYS N 1 1 6 1548 1 1 11 LYS NZ N 5.097 -10.161 -1.629 1.00 . A A . 11 LYS NZ 1 1 6 1549 1 1 11 LYS O O 6.354 -4.702 1.032 1.00 . A A . 11 LYS O 1 1 6 1550 1 1 12 LYS C C 6.611 -2.267 0.173 1.00 . A A . 12 LYS C 1 1 6 1551 1 1 12 LYS CA C 5.504 -2.790 -0.753 1.00 . A A . 12 LYS CA 1 1 6 1552 1 1 12 LYS CB C 4.540 -1.665 -1.120 1.00 . A A . 12 LYS CB 1 1 6 1553 1 1 12 LYS CD C 4.461 -2.365 -3.520 1.00 . A A . 12 LYS CD 1 1 6 1554 1 1 12 LYS CE C 3.583 -2.177 -4.759 1.00 . A A . 12 LYS CE 1 1 6 1555 1 1 12 LYS CG C 3.626 -2.123 -2.260 1.00 . A A . 12 LYS CG 1 1 6 1556 1 1 12 LYS H H 3.704 -3.850 -0.285 1.00 . A A . 12 LYS H 1 1 6 1557 1 1 12 LYS HA H 5.920 -3.214 -1.650 1.00 . A A . 12 LYS HA 1 1 6 1558 1 1 12 LYS HB2 H 3.942 -1.406 -0.259 1.00 . A A . 12 LYS HB2 1 1 6 1559 1 1 12 LYS HB3 H 5.104 -0.806 -1.439 1.00 . A A . 12 LYS HB3 1 1 6 1560 1 1 12 LYS HD2 H 5.281 -1.663 -3.548 1.00 . A A . 12 LYS HD2 1 1 6 1561 1 1 12 LYS HD3 H 4.850 -3.373 -3.506 1.00 . A A . 12 LYS HD3 1 1 6 1562 1 1 12 LYS HE2 H 3.924 -2.818 -5.560 1.00 . A A . 12 LYS HE2 1 1 6 1563 1 1 12 LYS HE3 H 2.551 -2.385 -4.524 1.00 . A A . 12 LYS HE3 1 1 6 1564 1 1 12 LYS HG2 H 3.128 -3.039 -1.977 1.00 . A A . 12 LYS HG2 1 1 6 1565 1 1 12 LYS HG3 H 2.890 -1.359 -2.460 1.00 . A A . 12 LYS HG3 1 1 6 1566 1 1 12 LYS HZ1 H 3.401 -0.144 -4.353 1.00 . A A . 12 LYS HZ1 1 1 6 1567 1 1 12 LYS HZ2 H 3.195 -0.546 -5.991 1.00 . A A . 12 LYS HZ2 1 1 6 1568 1 1 12 LYS HZ3 H 4.748 -0.541 -5.304 1.00 . A A . 12 LYS HZ3 1 1 6 1569 1 1 12 LYS N N 4.659 -3.809 -0.076 1.00 . A A . 12 LYS N 1 1 6 1570 1 1 12 LYS NZ N 3.743 -0.744 -5.130 1.00 . A A . 12 LYS NZ 1 1 6 1571 1 1 12 LYS O O 6.335 -1.359 0.938 1.00 . A A . 12 LYS O 1 1 6 1572 1 1 12 LYS OXT O 7.713 -2.786 0.099 1.00 . A A . 12 LYS OXT 1 1 7 1573 1 1 1 ARG C C 1.963 8.616 -2.997 1.00 . A A . 1 ARG C 1 1 7 1574 1 1 1 ARG CA C 2.786 8.857 -4.266 1.00 . A A . 1 ARG CA 1 1 7 1575 1 1 1 ARG CB C 3.966 9.791 -3.980 1.00 . A A . 1 ARG CB 1 1 7 1576 1 1 1 ARG CD C 5.523 7.943 -3.386 1.00 . A A . 1 ARG CD 1 1 7 1577 1 1 1 ARG CG C 4.841 9.203 -2.871 1.00 . A A . 1 ARG CG 1 1 7 1578 1 1 1 ARG CZ C 7.534 7.586 -4.684 1.00 . A A . 1 ARG CZ 1 1 7 1579 1 1 1 ARG H1 H 1.687 10.506 -4.908 1.00 . A A . 1 ARG H1 1 1 7 1580 1 1 1 ARG H2 H 1.112 9.019 -5.494 1.00 . A A . 1 ARG H2 1 1 7 1581 1 1 1 ARG H3 H 2.520 9.705 -6.150 1.00 . A A . 1 ARG H3 1 1 7 1582 1 1 1 ARG HA H 3.143 7.922 -4.667 1.00 . A A . 1 ARG HA 1 1 7 1583 1 1 1 ARG HB2 H 4.555 9.911 -4.877 1.00 . A A . 1 ARG HB2 1 1 7 1584 1 1 1 ARG HB3 H 3.594 10.748 -3.666 1.00 . A A . 1 ARG HB3 1 1 7 1585 1 1 1 ARG HD2 H 5.903 7.357 -2.560 1.00 . A A . 1 ARG HD2 1 1 7 1586 1 1 1 ARG HD3 H 4.829 7.368 -3.969 1.00 . A A . 1 ARG HD3 1 1 7 1587 1 1 1 ARG HE H 6.698 9.376 -4.481 1.00 . A A . 1 ARG HE 1 1 7 1588 1 1 1 ARG HG2 H 5.587 9.926 -2.576 1.00 . A A . 1 ARG HG2 1 1 7 1589 1 1 1 ARG HG3 H 4.225 8.953 -2.025 1.00 . A A . 1 ARG HG3 1 1 7 1590 1 1 1 ARG HH11 H 8.203 7.111 -2.858 1.00 . A A . 1 ARG HH11 1 1 7 1591 1 1 1 ARG HH12 H 8.990 6.309 -4.177 1.00 . A A . 1 ARG HH12 1 1 7 1592 1 1 1 ARG HH21 H 7.072 7.864 -6.613 1.00 . A A . 1 ARG HH21 1 1 7 1593 1 1 1 ARG HH22 H 8.349 6.735 -6.302 1.00 . A A . 1 ARG HH22 1 1 7 1594 1 1 1 ARG N N 1.964 9.576 -5.282 1.00 . A A . 1 ARG N 1 1 7 1595 1 1 1 ARG NE N 6.638 8.427 -4.246 1.00 . A A . 1 ARG NE 1 1 7 1596 1 1 1 ARG NH1 N 8.303 6.953 -3.840 1.00 . A A . 1 ARG NH1 1 1 7 1597 1 1 1 ARG NH2 N 7.662 7.379 -5.966 1.00 . A A . 1 ARG NH2 1 1 7 1598 1 1 1 ARG O O 1.955 9.424 -2.089 1.00 . A A . 1 ARG O 1 1 7 1599 1 1 2 GLN C C 0.934 5.923 -1.054 1.00 . A A . 2 GLN C 1 1 7 1600 1 1 2 GLN CA C 0.452 7.211 -1.718 1.00 . A A . 2 GLN CA 1 1 7 1601 1 1 2 GLN CB C -0.975 7.048 -2.235 1.00 . A A . 2 GLN CB 1 1 7 1602 1 1 2 GLN CD C -1.121 9.376 -3.128 1.00 . A A . 2 GLN CD 1 1 7 1603 1 1 2 GLN CG C -1.711 8.382 -2.127 1.00 . A A . 2 GLN CG 1 1 7 1604 1 1 2 GLN H H 1.296 6.871 -3.671 1.00 . A A . 2 GLN H 1 1 7 1605 1 1 2 GLN HA H 0.499 8.030 -1.022 1.00 . A A . 2 GLN HA 1 1 7 1606 1 1 2 GLN HB2 H -0.951 6.731 -3.270 1.00 . A A . 2 GLN HB2 1 1 7 1607 1 1 2 GLN HB3 H -1.491 6.307 -1.641 1.00 . A A . 2 GLN HB3 1 1 7 1608 1 1 2 GLN HE21 H -0.618 10.696 -1.729 1.00 . A A . 2 GLN HE21 1 1 7 1609 1 1 2 GLN HE22 H -0.237 11.144 -3.331 1.00 . A A . 2 GLN HE22 1 1 7 1610 1 1 2 GLN HG2 H -2.758 8.231 -2.342 1.00 . A A . 2 GLN HG2 1 1 7 1611 1 1 2 GLN HG3 H -1.600 8.773 -1.126 1.00 . A A . 2 GLN HG3 1 1 7 1612 1 1 2 GLN N N 1.273 7.509 -2.928 1.00 . A A . 2 GLN N 1 1 7 1613 1 1 2 GLN NE2 N -0.617 10.498 -2.693 1.00 . A A . 2 GLN NE2 1 1 7 1614 1 1 2 GLN O O 1.102 5.863 0.145 1.00 . A A . 2 GLN O 1 1 7 1615 1 1 2 GLN OE1 O -1.119 9.129 -4.317 1.00 . A A . 2 GLN OE1 1 1 7 1616 1 1 3 ILE C C 1.071 3.257 0.071 1.00 . A A . 3 ILE C 1 1 7 1617 1 1 3 ILE CA C 1.680 3.616 -1.299 1.00 . A A . 3 ILE CA 1 1 7 1618 1 1 3 ILE CB C 3.192 3.822 -1.246 1.00 . A A . 3 ILE CB 1 1 7 1619 1 1 3 ILE CD1 C 3.455 1.481 -0.467 1.00 . A A . 3 ILE CD1 1 1 7 1620 1 1 3 ILE CG1 C 3.853 2.489 -1.544 1.00 . A A . 3 ILE CG1 1 1 7 1621 1 1 3 ILE CG2 C 3.655 4.360 0.116 1.00 . A A . 3 ILE CG2 1 1 7 1622 1 1 3 ILE H H 1.066 4.994 -2.796 1.00 . A A . 3 ILE H 1 1 7 1623 1 1 3 ILE HA H 1.465 2.825 -2.006 1.00 . A A . 3 ILE HA 1 1 7 1624 1 1 3 ILE HB H 3.463 4.525 -2.016 1.00 . A A . 3 ILE HB 1 1 7 1625 1 1 3 ILE HD11 H 3.674 1.896 0.508 1.00 . A A . 3 ILE HD11 1 1 7 1626 1 1 3 ILE HD12 H 4.006 0.568 -0.604 1.00 . A A . 3 ILE HD12 1 1 7 1627 1 1 3 ILE HD13 H 2.395 1.281 -0.539 1.00 . A A . 3 ILE HD13 1 1 7 1628 1 1 3 ILE HG12 H 3.503 2.148 -2.510 1.00 . A A . 3 ILE HG12 1 1 7 1629 1 1 3 ILE HG13 H 4.927 2.606 -1.559 1.00 . A A . 3 ILE HG13 1 1 7 1630 1 1 3 ILE HG21 H 2.825 4.819 0.627 1.00 . A A . 3 ILE HG21 1 1 7 1631 1 1 3 ILE HG22 H 4.432 5.094 -0.034 1.00 . A A . 3 ILE HG22 1 1 7 1632 1 1 3 ILE HG23 H 4.041 3.547 0.713 1.00 . A A . 3 ILE HG23 1 1 7 1633 1 1 3 ILE N N 1.183 4.905 -1.836 1.00 . A A . 3 ILE N 1 1 7 1634 1 1 3 ILE O O 1.745 2.770 0.958 1.00 . A A . 3 ILE O 1 1 7 1635 1 1 4 LYS C C -1.833 1.984 1.309 1.00 . A A . 4 LYS C 1 1 7 1636 1 1 4 LYS CA C -0.833 3.111 1.538 1.00 . A A . 4 LYS CA 1 1 7 1637 1 1 4 LYS CB C -1.499 4.390 2.008 1.00 . A A . 4 LYS CB 1 1 7 1638 1 1 4 LYS CD C -0.601 5.932 3.749 1.00 . A A . 4 LYS CD 1 1 7 1639 1 1 4 LYS CE C 0.733 6.450 4.288 1.00 . A A . 4 LYS CE 1 1 7 1640 1 1 4 LYS CG C -0.409 5.401 2.326 1.00 . A A . 4 LYS CG 1 1 7 1641 1 1 4 LYS H H -0.742 3.850 -0.470 1.00 . A A . 4 LYS H 1 1 7 1642 1 1 4 LYS HA H -0.082 2.803 2.246 1.00 . A A . 4 LYS HA 1 1 7 1643 1 1 4 LYS HB2 H -2.147 4.776 1.235 1.00 . A A . 4 LYS HB2 1 1 7 1644 1 1 4 LYS HB3 H -2.059 4.192 2.890 1.00 . A A . 4 LYS HB3 1 1 7 1645 1 1 4 LYS HD2 H -1.323 6.736 3.739 1.00 . A A . 4 LYS HD2 1 1 7 1646 1 1 4 LYS HD3 H -0.958 5.134 4.382 1.00 . A A . 4 LYS HD3 1 1 7 1647 1 1 4 LYS HE2 H 1.306 5.637 4.714 1.00 . A A . 4 LYS HE2 1 1 7 1648 1 1 4 LYS HE3 H 1.292 6.938 3.505 1.00 . A A . 4 LYS HE3 1 1 7 1649 1 1 4 LYS HG2 H 0.548 4.907 2.249 1.00 . A A . 4 LYS HG2 1 1 7 1650 1 1 4 LYS HG3 H -0.457 6.221 1.625 1.00 . A A . 4 LYS HG3 1 1 7 1651 1 1 4 LYS HZ1 H -0.336 8.103 4.963 1.00 . A A . 4 LYS HZ1 1 1 7 1652 1 1 4 LYS HZ2 H 1.213 7.956 5.643 1.00 . A A . 4 LYS HZ2 1 1 7 1653 1 1 4 LYS HZ3 H -0.044 6.935 6.157 1.00 . A A . 4 LYS HZ3 1 1 7 1654 1 1 4 LYS N N -0.200 3.469 0.246 1.00 . A A . 4 LYS N 1 1 7 1655 1 1 4 LYS NZ N 0.363 7.435 5.342 1.00 . A A . 4 LYS NZ 1 1 7 1656 1 1 4 LYS O O -1.836 0.994 2.013 1.00 . A A . 4 LYS O 1 1 7 1657 1 1 5 ILE C C -2.744 -0.163 -0.559 1.00 . A A . 5 ILE C 1 1 7 1658 1 1 5 ILE CA C -3.586 0.991 -0.026 1.00 . A A . 5 ILE CA 1 1 7 1659 1 1 5 ILE CB C -4.506 1.535 -1.118 1.00 . A A . 5 ILE CB 1 1 7 1660 1 1 5 ILE CD1 C -5.655 3.626 -1.831 1.00 . A A . 5 ILE CD1 1 1 7 1661 1 1 5 ILE CG1 C -5.201 2.802 -0.626 1.00 . A A . 5 ILE CG1 1 1 7 1662 1 1 5 ILE CG2 C -5.559 0.483 -1.475 1.00 . A A . 5 ILE CG2 1 1 7 1663 1 1 5 ILE H H -2.583 2.877 -0.294 1.00 . A A . 5 ILE H 1 1 7 1664 1 1 5 ILE HA H -4.149 0.697 0.846 1.00 . A A . 5 ILE HA 1 1 7 1665 1 1 5 ILE HB H -3.920 1.768 -1.993 1.00 . A A . 5 ILE HB 1 1 7 1666 1 1 5 ILE HD11 H -4.858 3.664 -2.560 1.00 . A A . 5 ILE HD11 1 1 7 1667 1 1 5 ILE HD12 H -5.898 4.627 -1.511 1.00 . A A . 5 ILE HD12 1 1 7 1668 1 1 5 ILE HD13 H -6.526 3.166 -2.273 1.00 . A A . 5 ILE HD13 1 1 7 1669 1 1 5 ILE HG12 H -6.057 2.536 -0.023 1.00 . A A . 5 ILE HG12 1 1 7 1670 1 1 5 ILE HG13 H -4.509 3.380 -0.040 1.00 . A A . 5 ILE HG13 1 1 7 1671 1 1 5 ILE HG21 H -5.142 -0.216 -2.185 1.00 . A A . 5 ILE HG21 1 1 7 1672 1 1 5 ILE HG22 H -6.419 0.968 -1.911 1.00 . A A . 5 ILE HG22 1 1 7 1673 1 1 5 ILE HG23 H -5.857 -0.045 -0.582 1.00 . A A . 5 ILE HG23 1 1 7 1674 1 1 5 ILE N N -2.638 2.094 0.289 1.00 . A A . 5 ILE N 1 1 7 1675 1 1 5 ILE O O -3.003 -1.324 -0.314 1.00 . A A . 5 ILE O 1 1 7 1676 1 1 6 TRP C C -0.098 -1.546 -0.677 1.00 . A A . 6 TRP C 1 1 7 1677 1 1 6 TRP CA C -0.766 -0.825 -1.821 1.00 . A A . 6 TRP CA 1 1 7 1678 1 1 6 TRP CB C 0.284 -0.006 -2.571 1.00 . A A . 6 TRP CB 1 1 7 1679 1 1 6 TRP CD1 C -0.301 0.047 -4.971 1.00 . A A . 6 TRP CD1 1 1 7 1680 1 1 6 TRP CD2 C -0.994 1.885 -3.914 1.00 . A A . 6 TRP CD2 1 1 7 1681 1 1 6 TRP CE2 C -1.386 2.028 -5.262 1.00 . A A . 6 TRP CE2 1 1 7 1682 1 1 6 TRP CE3 C -1.306 2.915 -3.016 1.00 . A A . 6 TRP CE3 1 1 7 1683 1 1 6 TRP CG C -0.316 0.611 -3.771 1.00 . A A . 6 TRP CG 1 1 7 1684 1 1 6 TRP CH2 C -2.373 4.177 -4.806 1.00 . A A . 6 TRP CH2 1 1 7 1685 1 1 6 TRP CZ2 C -2.066 3.155 -5.710 1.00 . A A . 6 TRP CZ2 1 1 7 1686 1 1 6 TRP CZ3 C -1.994 4.058 -3.460 1.00 . A A . 6 TRP CZ3 1 1 7 1687 1 1 6 TRP H H -1.527 1.137 -1.416 1.00 . A A . 6 TRP H 1 1 7 1688 1 1 6 TRP HA H -1.269 -1.509 -2.469 1.00 . A A . 6 TRP HA 1 1 7 1689 1 1 6 TRP HB2 H 0.656 0.770 -1.930 1.00 . A A . 6 TRP HB2 1 1 7 1690 1 1 6 TRP HB3 H 1.099 -0.646 -2.867 1.00 . A A . 6 TRP HB3 1 1 7 1691 1 1 6 TRP HD1 H 0.136 -0.898 -5.183 1.00 . A A . 6 TRP HD1 1 1 7 1692 1 1 6 TRP HE1 H -1.067 0.685 -6.821 1.00 . A A . 6 TRP HE1 1 1 7 1693 1 1 6 TRP HE3 H -1.013 2.826 -1.978 1.00 . A A . 6 TRP HE3 1 1 7 1694 1 1 6 TRP HH2 H -2.900 5.055 -5.145 1.00 . A A . 6 TRP HH2 1 1 7 1695 1 1 6 TRP HZ2 H -2.354 3.237 -6.746 1.00 . A A . 6 TRP HZ2 1 1 7 1696 1 1 6 TRP HZ3 H -2.231 4.848 -2.763 1.00 . A A . 6 TRP HZ3 1 1 7 1697 1 1 6 TRP N N -1.704 0.187 -1.268 1.00 . A A . 6 TRP N 1 1 7 1698 1 1 6 TRP NE1 N -0.939 0.874 -5.871 1.00 . A A . 6 TRP NE1 1 1 7 1699 1 1 6 TRP O O -0.186 -2.747 -0.521 1.00 . A A . 6 TRP O 1 1 7 1700 1 1 7 PHE C C 0.263 -2.221 2.118 1.00 . A A . 7 PHE C 1 1 7 1701 1 1 7 PHE CA C 1.246 -1.351 1.329 1.00 . A A . 7 PHE CA 1 1 7 1702 1 1 7 PHE CB C 1.650 -0.124 2.152 1.00 . A A . 7 PHE CB 1 1 7 1703 1 1 7 PHE CD1 C 3.440 -0.984 3.700 1.00 . A A . 7 PHE CD1 1 1 7 1704 1 1 7 PHE CD2 C 1.238 -0.525 4.606 1.00 . A A . 7 PHE CD2 1 1 7 1705 1 1 7 PHE CE1 C 3.879 -1.383 4.967 1.00 . A A . 7 PHE CE1 1 1 7 1706 1 1 7 PHE CE2 C 1.676 -0.926 5.873 1.00 . A A . 7 PHE CE2 1 1 7 1707 1 1 7 PHE CG C 2.122 -0.555 3.519 1.00 . A A . 7 PHE CG 1 1 7 1708 1 1 7 PHE CZ C 2.997 -1.354 6.055 1.00 . A A . 7 PHE CZ 1 1 7 1709 1 1 7 PHE H H 0.573 0.183 -0.036 1.00 . A A . 7 PHE H 1 1 7 1710 1 1 7 PHE HA H 2.118 -1.915 1.040 1.00 . A A . 7 PHE HA 1 1 7 1711 1 1 7 PHE HB2 H 2.443 0.403 1.645 1.00 . A A . 7 PHE HB2 1 1 7 1712 1 1 7 PHE HB3 H 0.798 0.531 2.259 1.00 . A A . 7 PHE HB3 1 1 7 1713 1 1 7 PHE HD1 H 4.118 -1.006 2.860 1.00 . A A . 7 PHE HD1 1 1 7 1714 1 1 7 PHE HD2 H 0.218 -0.195 4.464 1.00 . A A . 7 PHE HD2 1 1 7 1715 1 1 7 PHE HE1 H 4.898 -1.715 5.107 1.00 . A A . 7 PHE HE1 1 1 7 1716 1 1 7 PHE HE2 H 0.995 -0.902 6.712 1.00 . A A . 7 PHE HE2 1 1 7 1717 1 1 7 PHE HZ H 3.335 -1.663 7.033 1.00 . A A . 7 PHE HZ 1 1 7 1718 1 1 7 PHE N N 0.556 -0.783 0.136 1.00 . A A . 7 PHE N 1 1 7 1719 1 1 7 PHE O O 0.645 -3.043 2.928 1.00 . A A . 7 PHE O 1 1 7 1720 1 1 8 ARG C C -2.398 -4.083 1.872 1.00 . A A . 8 ARG C 1 1 7 1721 1 1 8 ARG CA C -2.040 -2.787 2.610 1.00 . A A . 8 ARG CA 1 1 7 1722 1 1 8 ARG CB C -3.208 -1.824 2.615 1.00 . A A . 8 ARG CB 1 1 7 1723 1 1 8 ARG CD C -3.322 -1.655 5.067 1.00 . A A . 8 ARG CD 1 1 7 1724 1 1 8 ARG CG C -4.087 -2.097 3.822 1.00 . A A . 8 ARG CG 1 1 7 1725 1 1 8 ARG CZ C -3.685 0.134 6.661 1.00 . A A . 8 ARG CZ 1 1 7 1726 1 1 8 ARG H H -1.287 -1.340 1.246 1.00 . A A . 8 ARG H 1 1 7 1727 1 1 8 ARG HA H -1.731 -2.989 3.621 1.00 . A A . 8 ARG HA 1 1 7 1728 1 1 8 ARG HB2 H -2.820 -0.820 2.681 1.00 . A A . 8 ARG HB2 1 1 7 1729 1 1 8 ARG HB3 H -3.772 -1.935 1.707 1.00 . A A . 8 ARG HB3 1 1 7 1730 1 1 8 ARG HD2 H -3.201 -2.486 5.747 1.00 . A A . 8 ARG HD2 1 1 7 1731 1 1 8 ARG HD3 H -2.356 -1.254 4.781 1.00 . A A . 8 ARG HD3 1 1 7 1732 1 1 8 ARG HE H -5.066 -0.422 5.347 1.00 . A A . 8 ARG HE 1 1 7 1733 1 1 8 ARG HG2 H -5.009 -1.538 3.736 1.00 . A A . 8 ARG HG2 1 1 7 1734 1 1 8 ARG HG3 H -4.302 -3.152 3.883 1.00 . A A . 8 ARG HG3 1 1 7 1735 1 1 8 ARG HH11 H -3.953 -1.290 8.042 1.00 . A A . 8 ARG HH11 1 1 7 1736 1 1 8 ARG HH12 H -3.269 0.193 8.618 1.00 . A A . 8 ARG HH12 1 1 7 1737 1 1 8 ARG HH21 H -3.310 1.727 5.509 1.00 . A A . 8 ARG HH21 1 1 7 1738 1 1 8 ARG HH22 H -2.905 1.901 7.184 1.00 . A A . 8 ARG HH22 1 1 7 1739 1 1 8 ARG N N -1.006 -2.021 1.890 1.00 . A A . 8 ARG N 1 1 7 1740 1 1 8 ARG NE N -4.160 -0.586 5.681 1.00 . A A . 8 ARG NE 1 1 7 1741 1 1 8 ARG NH1 N -3.631 -0.360 7.867 1.00 . A A . 8 ARG NH1 1 1 7 1742 1 1 8 ARG NH2 N -3.268 1.349 6.433 1.00 . A A . 8 ARG NH2 1 1 7 1743 1 1 8 ARG O O -3.187 -4.875 2.350 1.00 . A A . 8 ARG O 1 1 7 1744 1 1 9 LYS C C -1.022 -6.570 0.092 1.00 . A A . 9 LYS C 1 1 7 1745 1 1 9 LYS CA C -2.161 -5.554 -0.039 1.00 . A A . 9 LYS CA 1 1 7 1746 1 1 9 LYS CB C -2.322 -5.108 -1.493 1.00 . A A . 9 LYS CB 1 1 7 1747 1 1 9 LYS CD C -4.689 -5.869 -1.755 1.00 . A A . 9 LYS CD 1 1 7 1748 1 1 9 LYS CE C -6.141 -5.405 -1.895 1.00 . A A . 9 LYS CE 1 1 7 1749 1 1 9 LYS CG C -3.761 -4.652 -1.730 1.00 . A A . 9 LYS CG 1 1 7 1750 1 1 9 LYS H H -1.200 -3.660 0.335 1.00 . A A . 9 LYS H 1 1 7 1751 1 1 9 LYS HA H -3.084 -5.977 0.321 1.00 . A A . 9 LYS HA 1 1 7 1752 1 1 9 LYS HB2 H -1.648 -4.288 -1.694 1.00 . A A . 9 LYS HB2 1 1 7 1753 1 1 9 LYS HB3 H -2.094 -5.935 -2.151 1.00 . A A . 9 LYS HB3 1 1 7 1754 1 1 9 LYS HD2 H -4.429 -6.502 -2.592 1.00 . A A . 9 LYS HD2 1 1 7 1755 1 1 9 LYS HD3 H -4.578 -6.425 -0.836 1.00 . A A . 9 LYS HD3 1 1 7 1756 1 1 9 LYS HE2 H -6.781 -5.977 -1.237 1.00 . A A . 9 LYS HE2 1 1 7 1757 1 1 9 LYS HE3 H -6.222 -4.351 -1.679 1.00 . A A . 9 LYS HE3 1 1 7 1758 1 1 9 LYS HG2 H -4.059 -3.985 -0.936 1.00 . A A . 9 LYS HG2 1 1 7 1759 1 1 9 LYS HG3 H -3.823 -4.136 -2.677 1.00 . A A . 9 LYS HG3 1 1 7 1760 1 1 9 LYS HZ1 H -7.430 -5.264 -3.522 1.00 . A A . 9 LYS HZ1 1 1 7 1761 1 1 9 LYS HZ2 H -6.506 -6.690 -3.491 1.00 . A A . 9 LYS HZ2 1 1 7 1762 1 1 9 LYS HZ3 H -5.786 -5.217 -3.937 1.00 . A A . 9 LYS HZ3 1 1 7 1763 1 1 9 LYS N N -1.834 -4.307 0.712 1.00 . A A . 9 LYS N 1 1 7 1764 1 1 9 LYS NZ N -6.491 -5.664 -3.319 1.00 . A A . 9 LYS NZ 1 1 7 1765 1 1 9 LYS O O -1.189 -7.631 0.658 1.00 . A A . 9 LYS O 1 1 7 1766 1 1 10 TRP C C 2.145 -6.844 0.870 1.00 . A A . 10 TRP C 1 1 7 1767 1 1 10 TRP CA C 1.277 -7.192 -0.354 1.00 . A A . 10 TRP CA 1 1 7 1768 1 1 10 TRP CB C 2.041 -6.973 -1.668 1.00 . A A . 10 TRP CB 1 1 7 1769 1 1 10 TRP CD1 C 1.305 -5.599 -3.648 1.00 . A A . 10 TRP CD1 1 1 7 1770 1 1 10 TRP CD2 C -0.184 -7.189 -3.110 1.00 . A A . 10 TRP CD2 1 1 7 1771 1 1 10 TRP CE2 C -0.714 -6.507 -4.222 1.00 . A A . 10 TRP CE2 1 1 7 1772 1 1 10 TRP CE3 C -0.925 -8.238 -2.567 1.00 . A A . 10 TRP CE3 1 1 7 1773 1 1 10 TRP CG C 1.100 -6.601 -2.768 1.00 . A A . 10 TRP CG 1 1 7 1774 1 1 10 TRP CH2 C -2.674 -7.911 -4.225 1.00 . A A . 10 TRP CH2 1 1 7 1775 1 1 10 TRP CZ2 C -1.944 -6.857 -4.780 1.00 . A A . 10 TRP CZ2 1 1 7 1776 1 1 10 TRP CZ3 C -2.165 -8.601 -3.117 1.00 . A A . 10 TRP CZ3 1 1 7 1777 1 1 10 TRP H H 0.246 -5.398 -0.892 1.00 . A A . 10 TRP H 1 1 7 1778 1 1 10 TRP HA H 0.929 -8.209 -0.292 1.00 . A A . 10 TRP HA 1 1 7 1779 1 1 10 TRP HB2 H 2.742 -6.175 -1.539 1.00 . A A . 10 TRP HB2 1 1 7 1780 1 1 10 TRP HB3 H 2.564 -7.876 -1.934 1.00 . A A . 10 TRP HB3 1 1 7 1781 1 1 10 TRP HD1 H 2.170 -4.946 -3.671 1.00 . A A . 10 TRP HD1 1 1 7 1782 1 1 10 TRP HE1 H 0.128 -4.923 -5.246 1.00 . A A . 10 TRP HE1 1 1 7 1783 1 1 10 TRP HE3 H -0.539 -8.763 -1.720 1.00 . A A . 10 TRP HE3 1 1 7 1784 1 1 10 TRP HH2 H -3.627 -8.190 -4.647 1.00 . A A . 10 TRP HH2 1 1 7 1785 1 1 10 TRP HZ2 H -2.329 -6.319 -5.635 1.00 . A A . 10 TRP HZ2 1 1 7 1786 1 1 10 TRP HZ3 H -2.728 -9.416 -2.685 1.00 . A A . 10 TRP HZ3 1 1 7 1787 1 1 10 TRP N N 0.130 -6.254 -0.435 1.00 . A A . 10 TRP N 1 1 7 1788 1 1 10 TRP NE1 N 0.228 -5.549 -4.515 1.00 . A A . 10 TRP NE1 1 1 7 1789 1 1 10 TRP O O 2.017 -7.440 1.921 1.00 . A A . 10 TRP O 1 1 7 1790 1 1 11 LYS C C 4.576 -4.173 1.425 1.00 . A A . 11 LYS C 1 1 7 1791 1 1 11 LYS CA C 3.866 -5.443 1.868 1.00 . A A . 11 LYS CA 1 1 7 1792 1 1 11 LYS CB C 4.863 -6.573 2.132 1.00 . A A . 11 LYS CB 1 1 7 1793 1 1 11 LYS CD C 4.708 -8.578 0.687 1.00 . A A . 11 LYS CD 1 1 7 1794 1 1 11 LYS CE C 4.475 -8.886 -0.791 1.00 . A A . 11 LYS CE 1 1 7 1795 1 1 11 LYS CG C 5.342 -7.201 0.824 1.00 . A A . 11 LYS CG 1 1 7 1796 1 1 11 LYS H H 3.076 -5.389 -0.100 1.00 . A A . 11 LYS H 1 1 7 1797 1 1 11 LYS HA H 3.269 -5.266 2.740 1.00 . A A . 11 LYS HA 1 1 7 1798 1 1 11 LYS HB2 H 5.711 -6.182 2.675 1.00 . A A . 11 LYS HB2 1 1 7 1799 1 1 11 LYS HB3 H 4.375 -7.325 2.726 1.00 . A A . 11 LYS HB3 1 1 7 1800 1 1 11 LYS HD2 H 5.363 -9.323 1.116 1.00 . A A . 11 LYS HD2 1 1 7 1801 1 1 11 LYS HD3 H 3.762 -8.581 1.210 1.00 . A A . 11 LYS HD3 1 1 7 1802 1 1 11 LYS HE2 H 3.571 -9.467 -0.915 1.00 . A A . 11 LYS HE2 1 1 7 1803 1 1 11 LYS HE3 H 4.417 -7.970 -1.359 1.00 . A A . 11 LYS HE3 1 1 7 1804 1 1 11 LYS HG2 H 5.047 -6.582 -0.008 1.00 . A A . 11 LYS HG2 1 1 7 1805 1 1 11 LYS HG3 H 6.417 -7.301 0.841 1.00 . A A . 11 LYS HG3 1 1 7 1806 1 1 11 LYS HZ1 H 6.532 -9.195 -0.890 1.00 . A A . 11 LYS HZ1 1 1 7 1807 1 1 11 LYS HZ2 H 5.679 -9.757 -2.249 1.00 . A A . 11 LYS HZ2 1 1 7 1808 1 1 11 LYS HZ3 H 5.622 -10.623 -0.789 1.00 . A A . 11 LYS HZ3 1 1 7 1809 1 1 11 LYS N N 3.004 -5.869 0.742 1.00 . A A . 11 LYS N 1 1 7 1810 1 1 11 LYS NZ N 5.666 -9.675 -1.211 1.00 . A A . 11 LYS NZ 1 1 7 1811 1 1 11 LYS O O 4.626 -3.188 2.132 1.00 . A A . 11 LYS O 1 1 7 1812 1 1 12 LYS C C 6.370 -3.360 -1.712 1.00 . A A . 12 LYS C 1 1 7 1813 1 1 12 LYS CA C 5.764 -3.011 -0.349 1.00 . A A . 12 LYS CA 1 1 7 1814 1 1 12 LYS CB C 6.848 -2.607 0.659 1.00 . A A . 12 LYS CB 1 1 7 1815 1 1 12 LYS CD C 8.651 -4.205 -0.010 1.00 . A A . 12 LYS CD 1 1 7 1816 1 1 12 LYS CE C 10.029 -3.622 0.312 1.00 . A A . 12 LYS CE 1 1 7 1817 1 1 12 LYS CG C 7.666 -3.830 1.096 1.00 . A A . 12 LYS CG 1 1 7 1818 1 1 12 LYS H H 5.000 -4.994 -0.324 1.00 . A A . 12 LYS H 1 1 7 1819 1 1 12 LYS HA H 5.049 -2.226 -0.464 1.00 . A A . 12 LYS HA 1 1 7 1820 1 1 12 LYS HB2 H 7.505 -1.879 0.207 1.00 . A A . 12 LYS HB2 1 1 7 1821 1 1 12 LYS HB3 H 6.375 -2.173 1.522 1.00 . A A . 12 LYS HB3 1 1 7 1822 1 1 12 LYS HD2 H 8.719 -5.280 -0.081 1.00 . A A . 12 LYS HD2 1 1 7 1823 1 1 12 LYS HD3 H 8.301 -3.802 -0.945 1.00 . A A . 12 LYS HD3 1 1 7 1824 1 1 12 LYS HE2 H 10.512 -3.280 -0.593 1.00 . A A . 12 LYS HE2 1 1 7 1825 1 1 12 LYS HE3 H 9.940 -2.813 1.021 1.00 . A A . 12 LYS HE3 1 1 7 1826 1 1 12 LYS HG2 H 8.209 -3.594 1.998 1.00 . A A . 12 LYS HG2 1 1 7 1827 1 1 12 LYS HG3 H 7.004 -4.662 1.282 1.00 . A A . 12 LYS HG3 1 1 7 1828 1 1 12 LYS HZ1 H 11.637 -4.378 1.398 1.00 . A A . 12 LYS HZ1 1 1 7 1829 1 1 12 LYS HZ2 H 11.083 -5.412 0.170 1.00 . A A . 12 LYS HZ2 1 1 7 1830 1 1 12 LYS HZ3 H 10.194 -5.245 1.608 1.00 . A A . 12 LYS HZ3 1 1 7 1831 1 1 12 LYS N N 5.087 -4.196 0.220 1.00 . A A . 12 LYS N 1 1 7 1832 1 1 12 LYS NZ N 10.793 -4.750 0.918 1.00 . A A . 12 LYS NZ 1 1 7 1833 1 1 12 LYS O O 6.718 -2.441 -2.434 1.00 . A A . 12 LYS O 1 1 7 1834 1 1 12 LYS OXT O 6.474 -4.538 -2.008 1.00 . A A . 12 LYS OXT 1 1 8 1835 1 1 1 ARG C C 1.503 8.743 -3.167 1.00 . A A . 1 ARG C 1 1 8 1836 1 1 1 ARG CA C 2.280 9.000 -4.462 1.00 . A A . 1 ARG CA 1 1 8 1837 1 1 1 ARG CB C 1.322 9.316 -5.611 1.00 . A A . 1 ARG CB 1 1 8 1838 1 1 1 ARG CD C 1.906 11.721 -5.839 1.00 . A A . 1 ARG CD 1 1 8 1839 1 1 1 ARG CG C 0.801 10.743 -5.467 1.00 . A A . 1 ARG CG 1 1 8 1840 1 1 1 ARG CZ C 2.754 12.531 -7.958 1.00 . A A . 1 ARG CZ 1 1 8 1841 1 1 1 ARG H1 H 3.654 7.468 -4.137 1.00 . A A . 1 ARG H1 1 1 8 1842 1 1 1 ARG H2 H 3.528 7.952 -5.761 1.00 . A A . 1 ARG H2 1 1 8 1843 1 1 1 ARG H3 H 2.307 7.002 -5.056 1.00 . A A . 1 ARG H3 1 1 8 1844 1 1 1 ARG HA H 2.978 9.811 -4.328 1.00 . A A . 1 ARG HA 1 1 8 1845 1 1 1 ARG HB2 H 1.840 9.214 -6.553 1.00 . A A . 1 ARG HB2 1 1 8 1846 1 1 1 ARG HB3 H 0.493 8.633 -5.582 1.00 . A A . 1 ARG HB3 1 1 8 1847 1 1 1 ARG HD2 H 1.697 12.700 -5.431 1.00 . A A . 1 ARG HD2 1 1 8 1848 1 1 1 ARG HD3 H 2.850 11.355 -5.479 1.00 . A A . 1 ARG HD3 1 1 8 1849 1 1 1 ARG HE H 1.274 11.213 -7.837 1.00 . A A . 1 ARG HE 1 1 8 1850 1 1 1 ARG HG2 H -0.049 10.888 -6.118 1.00 . A A . 1 ARG HG2 1 1 8 1851 1 1 1 ARG HG3 H 0.508 10.913 -4.445 1.00 . A A . 1 ARG HG3 1 1 8 1852 1 1 1 ARG HH11 H 4.292 11.267 -7.755 1.00 . A A . 1 ARG HH11 1 1 8 1853 1 1 1 ARG HH12 H 4.639 12.738 -8.599 1.00 . A A . 1 ARG HH12 1 1 8 1854 1 1 1 ARG HH21 H 1.414 13.977 -8.307 1.00 . A A . 1 ARG HH21 1 1 8 1855 1 1 1 ARG HH22 H 3.010 14.274 -8.911 1.00 . A A . 1 ARG HH22 1 1 8 1856 1 1 1 ARG N N 2.997 7.762 -4.886 1.00 . A A . 1 ARG N 1 1 8 1857 1 1 1 ARG NE N 1.908 11.762 -7.329 1.00 . A A . 1 ARG NE 1 1 8 1858 1 1 1 ARG NH1 N 3.992 12.149 -8.117 1.00 . A A . 1 ARG NH1 1 1 8 1859 1 1 1 ARG NH2 N 2.362 13.684 -8.429 1.00 . A A . 1 ARG NH2 1 1 8 1860 1 1 1 ARG O O 1.674 9.438 -2.185 1.00 . A A . 1 ARG O 1 1 8 1861 1 1 2 GLN C C 0.463 6.235 -1.210 1.00 . A A . 2 GLN C 1 1 8 1862 1 1 2 GLN CA C -0.129 7.447 -1.925 1.00 . A A . 2 GLN CA 1 1 8 1863 1 1 2 GLN CB C -1.546 7.148 -2.415 1.00 . A A . 2 GLN CB 1 1 8 1864 1 1 2 GLN CD C -1.941 9.485 -3.202 1.00 . A A . 2 GLN CD 1 1 8 1865 1 1 2 GLN CG C -2.416 8.393 -2.244 1.00 . A A . 2 GLN CG 1 1 8 1866 1 1 2 GLN H H 0.535 7.200 -3.962 1.00 . A A . 2 GLN H 1 1 8 1867 1 1 2 GLN HA H -0.137 8.298 -1.269 1.00 . A A . 2 GLN HA 1 1 8 1868 1 1 2 GLN HB2 H -1.516 6.870 -3.459 1.00 . A A . 2 GLN HB2 1 1 8 1869 1 1 2 GLN HB3 H -1.964 6.338 -1.835 1.00 . A A . 2 GLN HB3 1 1 8 1870 1 1 2 GLN HE21 H -1.414 10.727 -1.742 1.00 . A A . 2 GLN HE21 1 1 8 1871 1 1 2 GLN HE22 H -1.154 11.306 -3.326 1.00 . A A . 2 GLN HE22 1 1 8 1872 1 1 2 GLN HG2 H -3.446 8.145 -2.460 1.00 . A A . 2 GLN HG2 1 1 8 1873 1 1 2 GLN HG3 H -2.337 8.751 -1.226 1.00 . A A . 2 GLN HG3 1 1 8 1874 1 1 2 GLN N N 0.655 7.750 -3.159 1.00 . A A . 2 GLN N 1 1 8 1875 1 1 2 GLN NE2 N -1.463 10.598 -2.717 1.00 . A A . 2 GLN NE2 1 1 8 1876 1 1 2 GLN O O 0.691 6.261 -0.020 1.00 . A A . 2 GLN O 1 1 8 1877 1 1 2 GLN OE1 O -2.003 9.324 -4.404 1.00 . A A . 2 GLN OE1 1 1 8 1878 1 1 3 ILE C C 0.768 3.615 0.039 1.00 . A A . 3 ILE C 1 1 8 1879 1 1 3 ILE CA C 1.340 3.969 -1.350 1.00 . A A . 3 ILE CA 1 1 8 1880 1 1 3 ILE CB C 2.829 4.297 -1.319 1.00 . A A . 3 ILE CB 1 1 8 1881 1 1 3 ILE CD1 C 3.260 1.997 -0.498 1.00 . A A . 3 ILE CD1 1 1 8 1882 1 1 3 ILE CG1 C 3.588 3.012 -1.592 1.00 . A A . 3 ILE CG1 1 1 8 1883 1 1 3 ILE CG2 C 3.263 4.904 0.024 1.00 . A A . 3 ILE CG2 1 1 8 1884 1 1 3 ILE H H 0.575 5.209 -2.896 1.00 . A A . 3 ILE H 1 1 8 1885 1 1 3 ILE HA H 1.186 3.137 -2.020 1.00 . A A . 3 ILE HA 1 1 8 1886 1 1 3 ILE HB H 3.034 4.998 -2.110 1.00 . A A . 3 ILE HB 1 1 8 1887 1 1 3 ILE HD11 H 3.870 1.120 -0.621 1.00 . A A . 3 ILE HD11 1 1 8 1888 1 1 3 ILE HD12 H 2.215 1.725 -0.565 1.00 . A A . 3 ILE HD12 1 1 8 1889 1 1 3 ILE HD13 H 3.451 2.440 0.470 1.00 . A A . 3 ILE HD13 1 1 8 1890 1 1 3 ILE HG12 H 3.269 2.629 -2.552 1.00 . A A . 3 ILE HG12 1 1 8 1891 1 1 3 ILE HG13 H 4.651 3.207 -1.605 1.00 . A A . 3 ILE HG13 1 1 8 1892 1 1 3 ILE HG21 H 3.935 5.730 -0.157 1.00 . A A . 3 ILE HG21 1 1 8 1893 1 1 3 ILE HG22 H 3.767 4.155 0.613 1.00 . A A . 3 ILE HG22 1 1 8 1894 1 1 3 ILE HG23 H 2.398 5.259 0.560 1.00 . A A . 3 ILE HG23 1 1 8 1895 1 1 3 ILE N N 0.737 5.188 -1.938 1.00 . A A . 3 ILE N 1 1 8 1896 1 1 3 ILE O O 1.479 3.191 0.927 1.00 . A A . 3 ILE O 1 1 8 1897 1 1 4 LYS C C -2.047 2.217 1.353 1.00 . A A . 4 LYS C 1 1 8 1898 1 1 4 LYS CA C -1.109 3.406 1.535 1.00 . A A . 4 LYS CA 1 1 8 1899 1 1 4 LYS CB C -1.848 4.659 1.969 1.00 . A A . 4 LYS CB 1 1 8 1900 1 1 4 LYS CD C -0.993 6.481 3.442 1.00 . A A . 4 LYS CD 1 1 8 1901 1 1 4 LYS CE C -0.285 7.837 3.405 1.00 . A A . 4 LYS CE 1 1 8 1902 1 1 4 LYS CG C -0.841 5.788 2.088 1.00 . A A . 4 LYS CG 1 1 8 1903 1 1 4 LYS H H -1.079 4.095 -0.491 1.00 . A A . 4 LYS H 1 1 8 1904 1 1 4 LYS HA H -0.335 3.169 2.245 1.00 . A A . 4 LYS HA 1 1 8 1905 1 1 4 LYS HB2 H -2.604 4.912 1.239 1.00 . A A . 4 LYS HB2 1 1 8 1906 1 1 4 LYS HB3 H -2.300 4.490 2.916 1.00 . A A . 4 LYS HB3 1 1 8 1907 1 1 4 LYS HD2 H -2.041 6.626 3.656 1.00 . A A . 4 LYS HD2 1 1 8 1908 1 1 4 LYS HD3 H -0.550 5.865 4.209 1.00 . A A . 4 LYS HD3 1 1 8 1909 1 1 4 LYS HE2 H -0.076 8.178 4.410 1.00 . A A . 4 LYS HE2 1 1 8 1910 1 1 4 LYS HE3 H 0.627 7.770 2.831 1.00 . A A . 4 LYS HE3 1 1 8 1911 1 1 4 LYS HG2 H 0.153 5.370 2.005 1.00 . A A . 4 LYS HG2 1 1 8 1912 1 1 4 LYS HG3 H -1.003 6.502 1.297 1.00 . A A . 4 LYS HG3 1 1 8 1913 1 1 4 LYS HZ1 H -2.076 8.896 3.342 1.00 . A A . 4 LYS HZ1 1 1 8 1914 1 1 4 LYS HZ2 H -1.546 8.336 1.827 1.00 . A A . 4 LYS HZ2 1 1 8 1915 1 1 4 LYS HZ3 H -0.788 9.670 2.556 1.00 . A A . 4 LYS HZ3 1 1 8 1916 1 1 4 LYS N N -0.511 3.763 0.225 1.00 . A A . 4 LYS N 1 1 8 1917 1 1 4 LYS NZ N -1.246 8.754 2.732 1.00 . A A . 4 LYS NZ 1 1 8 1918 1 1 4 LYS O O -1.977 1.242 2.077 1.00 . A A . 4 LYS O 1 1 8 1919 1 1 5 ILE C C -2.949 0.009 -0.554 1.00 . A A . 5 ILE C 1 1 8 1920 1 1 5 ILE CA C -3.788 1.114 0.089 1.00 . A A . 5 ILE CA 1 1 8 1921 1 1 5 ILE CB C -4.843 1.641 -0.890 1.00 . A A . 5 ILE CB 1 1 8 1922 1 1 5 ILE CD1 C -5.657 2.911 1.115 1.00 . A A . 5 ILE CD1 1 1 8 1923 1 1 5 ILE CG1 C -5.406 2.977 -0.393 1.00 . A A . 5 ILE CG1 1 1 8 1924 1 1 5 ILE CG2 C -5.981 0.626 -1.007 1.00 . A A . 5 ILE CG2 1 1 8 1925 1 1 5 ILE H H -2.895 3.047 -0.233 1.00 . A A . 5 ILE H 1 1 8 1926 1 1 5 ILE HA H -4.252 0.767 0.999 1.00 . A A . 5 ILE HA 1 1 8 1927 1 1 5 ILE HB H -4.390 1.784 -1.858 1.00 . A A . 5 ILE HB 1 1 8 1928 1 1 5 ILE HD11 H -6.370 3.670 1.394 1.00 . A A . 5 ILE HD11 1 1 8 1929 1 1 5 ILE HD12 H -4.727 3.077 1.640 1.00 . A A . 5 ILE HD12 1 1 8 1930 1 1 5 ILE HD13 H -6.045 1.937 1.372 1.00 . A A . 5 ILE HD13 1 1 8 1931 1 1 5 ILE HG12 H -4.698 3.765 -0.606 1.00 . A A . 5 ILE HG12 1 1 8 1932 1 1 5 ILE HG13 H -6.333 3.181 -0.903 1.00 . A A . 5 ILE HG13 1 1 8 1933 1 1 5 ILE HG21 H -6.116 0.126 -0.059 1.00 . A A . 5 ILE HG21 1 1 8 1934 1 1 5 ILE HG22 H -5.739 -0.101 -1.767 1.00 . A A . 5 ILE HG22 1 1 8 1935 1 1 5 ILE HG23 H -6.893 1.138 -1.277 1.00 . A A . 5 ILE HG23 1 1 8 1936 1 1 5 ILE N N -2.887 2.269 0.360 1.00 . A A . 5 ILE N 1 1 8 1937 1 1 5 ILE O O -3.341 -1.138 -0.630 1.00 . A A . 5 ILE O 1 1 8 1938 1 1 6 TRP C C -0.043 -1.280 -0.549 1.00 . A A . 6 TRP C 1 1 8 1939 1 1 6 TRP CA C -0.846 -0.603 -1.630 1.00 . A A . 6 TRP CA 1 1 8 1940 1 1 6 TRP CB C 0.088 0.256 -2.476 1.00 . A A . 6 TRP CB 1 1 8 1941 1 1 6 TRP CD1 C -0.650 0.259 -4.834 1.00 . A A . 6 TRP CD1 1 1 8 1942 1 1 6 TRP CD2 C -1.491 1.985 -3.699 1.00 . A A . 6 TRP CD2 1 1 8 1943 1 1 6 TRP CE2 C -1.985 2.095 -5.017 1.00 . A A . 6 TRP CE2 1 1 8 1944 1 1 6 TRP CE3 C -1.867 2.956 -2.762 1.00 . A A . 6 TRP CE3 1 1 8 1945 1 1 6 TRP CG C -0.654 0.806 -3.625 1.00 . A A . 6 TRP CG 1 1 8 1946 1 1 6 TRP CH2 C -3.197 4.097 -4.454 1.00 . A A . 6 TRP CH2 1 1 8 1947 1 1 6 TRP CZ2 C -2.826 3.134 -5.396 1.00 . A A . 6 TRP CZ2 1 1 8 1948 1 1 6 TRP CZ3 C -2.717 4.010 -3.137 1.00 . A A . 6 TRP CZ3 1 1 8 1949 1 1 6 TRP H H -1.497 1.304 -0.902 1.00 . A A . 6 TRP H 1 1 8 1950 1 1 6 TRP HA H -1.372 -1.316 -2.228 1.00 . A A . 6 TRP HA 1 1 8 1951 1 1 6 TRP HB2 H 0.468 1.067 -1.883 1.00 . A A . 6 TRP HB2 1 1 8 1952 1 1 6 TRP HB3 H 0.911 -0.343 -2.833 1.00 . A A . 6 TRP HB3 1 1 8 1953 1 1 6 TRP HD1 H -0.114 -0.624 -5.090 1.00 . A A . 6 TRP HD1 1 1 8 1954 1 1 6 TRP HE1 H -1.605 0.819 -6.619 1.00 . A A . 6 TRP HE1 1 1 8 1955 1 1 6 TRP HE3 H -1.495 2.890 -1.747 1.00 . A A . 6 TRP HE3 1 1 8 1956 1 1 6 TRP HH2 H -3.848 4.908 -4.740 1.00 . A A . 6 TRP HH2 1 1 8 1957 1 1 6 TRP HZ2 H -3.190 3.192 -6.410 1.00 . A A . 6 TRP HZ2 1 1 8 1958 1 1 6 TRP HZ3 H -3.003 4.755 -2.409 1.00 . A A . 6 TRP HZ3 1 1 8 1959 1 1 6 TRP N N -1.776 0.372 -0.999 1.00 . A A . 6 TRP N 1 1 8 1960 1 1 6 TRP NE1 N -1.441 1.012 -5.675 1.00 . A A . 6 TRP NE1 1 1 8 1961 1 1 6 TRP O O -0.015 -2.488 -0.415 1.00 . A A . 6 TRP O 1 1 8 1962 1 1 7 PHE C C 0.569 -1.996 2.182 1.00 . A A . 7 PHE C 1 1 8 1963 1 1 7 PHE CA C 1.408 -1.001 1.374 1.00 . A A . 7 PHE CA 1 1 8 1964 1 1 7 PHE CB C 1.725 0.238 2.221 1.00 . A A . 7 PHE CB 1 1 8 1965 1 1 7 PHE CD1 C 1.723 -0.660 4.576 1.00 . A A . 7 PHE CD1 1 1 8 1966 1 1 7 PHE CD2 C 3.841 -0.060 3.561 1.00 . A A . 7 PHE CD2 1 1 8 1967 1 1 7 PHE CE1 C 2.391 -1.039 5.747 1.00 . A A . 7 PHE CE1 1 1 8 1968 1 1 7 PHE CE2 C 4.510 -0.437 4.732 1.00 . A A . 7 PHE CE2 1 1 8 1969 1 1 7 PHE CG C 2.448 -0.172 3.483 1.00 . A A . 7 PHE CG 1 1 8 1970 1 1 7 PHE CZ C 3.784 -0.927 5.825 1.00 . A A . 7 PHE CZ 1 1 8 1971 1 1 7 PHE H H 0.514 0.489 0.082 1.00 . A A . 7 PHE H 1 1 8 1972 1 1 7 PHE HA H 2.318 -1.458 1.019 1.00 . A A . 7 PHE HA 1 1 8 1973 1 1 7 PHE HB2 H 2.345 0.916 1.653 1.00 . A A . 7 PHE HB2 1 1 8 1974 1 1 7 PHE HB3 H 0.804 0.735 2.484 1.00 . A A . 7 PHE HB3 1 1 8 1975 1 1 7 PHE HD1 H 0.647 -0.746 4.516 1.00 . A A . 7 PHE HD1 1 1 8 1976 1 1 7 PHE HD2 H 4.400 0.317 2.717 1.00 . A A . 7 PHE HD2 1 1 8 1977 1 1 7 PHE HE1 H 1.832 -1.416 6.590 1.00 . A A . 7 PHE HE1 1 1 8 1978 1 1 7 PHE HE2 H 5.584 -0.352 4.793 1.00 . A A . 7 PHE HE2 1 1 8 1979 1 1 7 PHE HZ H 4.299 -1.219 6.729 1.00 . A A . 7 PHE HZ 1 1 8 1980 1 1 7 PHE N N 0.593 -0.477 0.238 1.00 . A A . 7 PHE N 1 1 8 1981 1 1 7 PHE O O 1.083 -2.811 2.922 1.00 . A A . 7 PHE O 1 1 8 1982 1 1 8 ARG C C -2.054 -4.008 1.955 1.00 . A A . 8 ARG C 1 1 8 1983 1 1 8 ARG CA C -1.633 -2.797 2.798 1.00 . A A . 8 ARG CA 1 1 8 1984 1 1 8 ARG CB C -2.817 -1.890 3.068 1.00 . A A . 8 ARG CB 1 1 8 1985 1 1 8 ARG CD C -2.552 -2.056 5.506 1.00 . A A . 8 ARG CD 1 1 8 1986 1 1 8 ARG CG C -3.508 -2.327 4.348 1.00 . A A . 8 ARG CG 1 1 8 1987 1 1 8 ARG CZ C -3.372 -1.437 7.698 1.00 . A A . 8 ARG CZ 1 1 8 1988 1 1 8 ARG H H -1.113 -1.226 1.465 1.00 . A A . 8 ARG H 1 1 8 1989 1 1 8 ARG HA H -1.189 -3.103 3.727 1.00 . A A . 8 ARG HA 1 1 8 1990 1 1 8 ARG HB2 H -2.456 -0.881 3.187 1.00 . A A . 8 ARG HB2 1 1 8 1991 1 1 8 ARG HB3 H -3.498 -1.933 2.238 1.00 . A A . 8 ARG HB3 1 1 8 1992 1 1 8 ARG HD2 H -2.295 -2.980 6.004 1.00 . A A . 8 ARG HD2 1 1 8 1993 1 1 8 ARG HD3 H -1.662 -1.560 5.136 1.00 . A A . 8 ARG HD3 1 1 8 1994 1 1 8 ARG HE H -3.736 -0.351 6.076 1.00 . A A . 8 ARG HE 1 1 8 1995 1 1 8 ARG HG2 H -4.421 -1.762 4.482 1.00 . A A . 8 ARG HG2 1 1 8 1996 1 1 8 ARG HG3 H -3.732 -3.379 4.302 1.00 . A A . 8 ARG HG3 1 1 8 1997 1 1 8 ARG HH11 H -1.596 -0.624 8.137 1.00 . A A . 8 ARG HH11 1 1 8 1998 1 1 8 ARG HH12 H -2.455 -1.314 9.473 1.00 . A A . 8 ARG HH12 1 1 8 1999 1 1 8 ARG HH21 H -5.164 -2.318 7.556 1.00 . A A . 8 ARG HH21 1 1 8 2000 1 1 8 ARG HH22 H -4.475 -2.274 9.144 1.00 . A A . 8 ARG HH22 1 1 8 2001 1 1 8 ARG N N -0.725 -1.906 2.051 1.00 . A A . 8 ARG N 1 1 8 2002 1 1 8 ARG NE N -3.299 -1.155 6.426 1.00 . A A . 8 ARG NE 1 1 8 2003 1 1 8 ARG NH1 N -2.398 -1.098 8.498 1.00 . A A . 8 ARG NH1 1 1 8 2004 1 1 8 ARG NH2 N -4.419 -2.058 8.170 1.00 . A A . 8 ARG NH2 1 1 8 2005 1 1 8 ARG O O -2.611 -4.960 2.464 1.00 . A A . 8 ARG O 1 1 8 2006 1 1 9 LYS C C -1.110 -6.187 -0.227 1.00 . A A . 9 LYS C 1 1 8 2007 1 1 9 LYS CA C -2.207 -5.122 -0.195 1.00 . A A . 9 LYS CA 1 1 8 2008 1 1 9 LYS CB C -2.402 -4.515 -1.585 1.00 . A A . 9 LYS CB 1 1 8 2009 1 1 9 LYS CD C -4.596 -5.624 -2.036 1.00 . A A . 9 LYS CD 1 1 8 2010 1 1 9 LYS CE C -6.105 -5.397 -2.158 1.00 . A A . 9 LYS CE 1 1 8 2011 1 1 9 LYS CG C -3.892 -4.280 -1.838 1.00 . A A . 9 LYS CG 1 1 8 2012 1 1 9 LYS H H -1.364 -3.196 0.277 1.00 . A A . 9 LYS H 1 1 8 2013 1 1 9 LYS HA H -3.135 -5.547 0.153 1.00 . A A . 9 LYS HA 1 1 8 2014 1 1 9 LYS HB2 H -1.877 -3.572 -1.641 1.00 . A A . 9 LYS HB2 1 1 8 2015 1 1 9 LYS HB3 H -2.014 -5.191 -2.332 1.00 . A A . 9 LYS HB3 1 1 8 2016 1 1 9 LYS HD2 H -4.228 -6.093 -2.937 1.00 . A A . 9 LYS HD2 1 1 8 2017 1 1 9 LYS HD3 H -4.398 -6.262 -1.190 1.00 . A A . 9 LYS HD3 1 1 8 2018 1 1 9 LYS HE2 H -6.387 -4.478 -1.662 1.00 . A A . 9 LYS HE2 1 1 8 2019 1 1 9 LYS HE3 H -6.400 -5.370 -3.196 1.00 . A A . 9 LYS HE3 1 1 8 2020 1 1 9 LYS HG2 H -4.321 -3.768 -0.990 1.00 . A A . 9 LYS HG2 1 1 8 2021 1 1 9 LYS HG3 H -4.016 -3.676 -2.724 1.00 . A A . 9 LYS HG3 1 1 8 2022 1 1 9 LYS HZ1 H -6.340 -6.658 -0.519 1.00 . A A . 9 LYS HZ1 1 1 8 2023 1 1 9 LYS HZ2 H -6.516 -7.433 -2.021 1.00 . A A . 9 LYS HZ2 1 1 8 2024 1 1 9 LYS HZ3 H -7.755 -6.433 -1.427 1.00 . A A . 9 LYS HZ3 1 1 8 2025 1 1 9 LYS N N -1.806 -3.975 0.672 1.00 . A A . 9 LYS N 1 1 8 2026 1 1 9 LYS NZ N -6.726 -6.568 -1.480 1.00 . A A . 9 LYS NZ 1 1 8 2027 1 1 9 LYS O O -1.298 -7.296 0.234 1.00 . A A . 9 LYS O 1 1 8 2028 1 1 10 TRP C C 1.966 -6.812 0.438 1.00 . A A . 10 TRP C 1 1 8 2029 1 1 10 TRP CA C 1.130 -6.859 -0.852 1.00 . A A . 10 TRP CA 1 1 8 2030 1 1 10 TRP CB C 1.951 -6.420 -2.073 1.00 . A A . 10 TRP CB 1 1 8 2031 1 1 10 TRP CD1 C 1.273 -5.052 -4.075 1.00 . A A . 10 TRP CD1 1 1 8 2032 1 1 10 TRP CD2 C -0.217 -6.663 -3.610 1.00 . A A . 10 TRP CD2 1 1 8 2033 1 1 10 TRP CE2 C -0.706 -5.979 -4.741 1.00 . A A . 10 TRP CE2 1 1 8 2034 1 1 10 TRP CE3 C -0.970 -7.725 -3.109 1.00 . A A . 10 TRP CE3 1 1 8 2035 1 1 10 TRP CG C 1.046 -6.058 -3.209 1.00 . A A . 10 TRP CG 1 1 8 2036 1 1 10 TRP CH2 C -2.647 -7.405 -4.841 1.00 . A A . 10 TRP CH2 1 1 8 2037 1 1 10 TRP CZ2 C -1.906 -6.341 -5.356 1.00 . A A . 10 TRP CZ2 1 1 8 2038 1 1 10 TRP CZ3 C -2.180 -8.097 -3.717 1.00 . A A . 10 TRP CZ3 1 1 8 2039 1 1 10 TRP H H 0.167 -4.975 -1.153 1.00 . A A . 10 TRP H 1 1 8 2040 1 1 10 TRP HA H 0.736 -7.850 -1.008 1.00 . A A . 10 TRP HA 1 1 8 2041 1 1 10 TRP HB2 H 2.540 -5.556 -1.812 1.00 . A A . 10 TRP HB2 1 1 8 2042 1 1 10 TRP HB3 H 2.604 -7.223 -2.375 1.00 . A A . 10 TRP HB3 1 1 8 2043 1 1 10 TRP HD1 H 2.126 -4.391 -4.059 1.00 . A A . 10 TRP HD1 1 1 8 2044 1 1 10 TRP HE1 H 0.158 -4.381 -5.718 1.00 . A A . 10 TRP HE1 1 1 8 2045 1 1 10 TRP HE3 H -0.618 -8.253 -2.250 1.00 . A A . 10 TRP HE3 1 1 8 2046 1 1 10 TRP HH2 H -3.576 -7.693 -5.307 1.00 . A A . 10 TRP HH2 1 1 8 2047 1 1 10 TRP HZ2 H -2.258 -5.801 -6.222 1.00 . A A . 10 TRP HZ2 1 1 8 2048 1 1 10 TRP HZ3 H -2.752 -8.922 -3.316 1.00 . A A . 10 TRP HZ3 1 1 8 2049 1 1 10 TRP N N 0.030 -5.867 -0.777 1.00 . A A . 10 TRP N 1 1 8 2050 1 1 10 TRP NE1 N 0.234 -5.010 -4.986 1.00 . A A . 10 TRP NE1 1 1 8 2051 1 1 10 TRP O O 1.487 -7.135 1.507 1.00 . A A . 10 TRP O 1 1 8 2052 1 1 11 LYS C C 5.344 -5.581 1.176 1.00 . A A . 11 LYS C 1 1 8 2053 1 1 11 LYS CA C 4.074 -6.330 1.554 1.00 . A A . 11 LYS CA 1 1 8 2054 1 1 11 LYS CB C 4.399 -7.771 1.945 1.00 . A A . 11 LYS CB 1 1 8 2055 1 1 11 LYS CD C 3.812 -9.314 0.093 1.00 . A A . 11 LYS CD 1 1 8 2056 1 1 11 LYS CE C 3.869 -9.162 -1.428 1.00 . A A . 11 LYS CE 1 1 8 2057 1 1 11 LYS CG C 4.947 -8.521 0.733 1.00 . A A . 11 LYS CG 1 1 8 2058 1 1 11 LYS H H 3.573 -6.143 -0.521 1.00 . A A . 11 LYS H 1 1 8 2059 1 1 11 LYS HA H 3.557 -5.838 2.354 1.00 . A A . 11 LYS HA 1 1 8 2060 1 1 11 LYS HB2 H 5.138 -7.772 2.733 1.00 . A A . 11 LYS HB2 1 1 8 2061 1 1 11 LYS HB3 H 3.502 -8.259 2.293 1.00 . A A . 11 LYS HB3 1 1 8 2062 1 1 11 LYS HD2 H 3.907 -10.357 0.357 1.00 . A A . 11 LYS HD2 1 1 8 2063 1 1 11 LYS HD3 H 2.869 -8.934 0.458 1.00 . A A . 11 LYS HD3 1 1 8 2064 1 1 11 LYS HE2 H 2.883 -9.293 -1.855 1.00 . A A . 11 LYS HE2 1 1 8 2065 1 1 11 LYS HE3 H 4.272 -8.199 -1.697 1.00 . A A . 11 LYS HE3 1 1 8 2066 1 1 11 LYS HG2 H 5.342 -7.810 0.020 1.00 . A A . 11 LYS HG2 1 1 8 2067 1 1 11 LYS HG3 H 5.728 -9.196 1.045 1.00 . A A . 11 LYS HG3 1 1 8 2068 1 1 11 LYS HZ1 H 4.812 -10.258 -2.927 1.00 . A A . 11 LYS HZ1 1 1 8 2069 1 1 11 LYS HZ2 H 4.438 -11.162 -1.538 1.00 . A A . 11 LYS HZ2 1 1 8 2070 1 1 11 LYS HZ3 H 5.740 -10.071 -1.520 1.00 . A A . 11 LYS HZ3 1 1 8 2071 1 1 11 LYS N N 3.206 -6.409 0.347 1.00 . A A . 11 LYS N 1 1 8 2072 1 1 11 LYS NZ N 4.783 -10.245 -1.888 1.00 . A A . 11 LYS NZ 1 1 8 2073 1 1 11 LYS O O 6.418 -5.869 1.664 1.00 . A A . 11 LYS O 1 1 8 2074 1 1 12 LYS C C 7.717 -4.436 0.158 1.00 . A A . 12 LYS C 1 1 8 2075 1 1 12 LYS CA C 6.359 -3.825 -0.226 1.00 . A A . 12 LYS CA 1 1 8 2076 1 1 12 LYS CB C 6.197 -2.411 0.368 1.00 . A A . 12 LYS CB 1 1 8 2077 1 1 12 LYS CD C 6.204 -3.192 2.745 1.00 . A A . 12 LYS CD 1 1 8 2078 1 1 12 LYS CE C 7.061 -2.198 3.533 1.00 . A A . 12 LYS CE 1 1 8 2079 1 1 12 LYS CG C 5.402 -2.445 1.681 1.00 . A A . 12 LYS CG 1 1 8 2080 1 1 12 LYS H H 4.316 -4.461 -0.092 1.00 . A A . 12 LYS H 1 1 8 2081 1 1 12 LYS HA H 6.287 -3.766 -1.294 1.00 . A A . 12 LYS HA 1 1 8 2082 1 1 12 LYS HB2 H 7.174 -1.992 0.557 1.00 . A A . 12 LYS HB2 1 1 8 2083 1 1 12 LYS HB3 H 5.676 -1.787 -0.345 1.00 . A A . 12 LYS HB3 1 1 8 2084 1 1 12 LYS HD2 H 5.527 -3.699 3.417 1.00 . A A . 12 LYS HD2 1 1 8 2085 1 1 12 LYS HD3 H 6.844 -3.912 2.266 1.00 . A A . 12 LYS HD3 1 1 8 2086 1 1 12 LYS HE2 H 8.097 -2.275 3.231 1.00 . A A . 12 LYS HE2 1 1 8 2087 1 1 12 LYS HE3 H 6.701 -1.191 3.389 1.00 . A A . 12 LYS HE3 1 1 8 2088 1 1 12 LYS HG2 H 5.219 -1.434 2.013 1.00 . A A . 12 LYS HG2 1 1 8 2089 1 1 12 LYS HG3 H 4.460 -2.947 1.523 1.00 . A A . 12 LYS HG3 1 1 8 2090 1 1 12 LYS HZ1 H 7.473 -1.970 5.562 1.00 . A A . 12 LYS HZ1 1 1 8 2091 1 1 12 LYS HZ2 H 7.223 -3.581 5.081 1.00 . A A . 12 LYS HZ2 1 1 8 2092 1 1 12 LYS HZ3 H 5.902 -2.521 5.233 1.00 . A A . 12 LYS HZ3 1 1 8 2093 1 1 12 LYS N N 5.205 -4.635 0.277 1.00 . A A . 12 LYS N 1 1 8 2094 1 1 12 LYS NZ N 6.903 -2.598 4.960 1.00 . A A . 12 LYS NZ 1 1 8 2095 1 1 12 LYS O O 7.967 -5.564 -0.234 1.00 . A A . 12 LYS O 1 1 8 2096 1 1 12 LYS OXT O 8.482 -3.765 0.834 1.00 . A A . 12 LYS OXT 1 1 9 2097 1 1 1 ARG C C 2.495 7.397 -2.830 1.00 . A A . 1 ARG C 1 1 9 2098 1 1 1 ARG CA C 3.503 7.527 -3.976 1.00 . A A . 1 ARG CA 1 1 9 2099 1 1 1 ARG CB C 4.819 6.834 -3.613 1.00 . A A . 1 ARG CB 1 1 9 2100 1 1 1 ARG CD C 5.546 6.437 -5.954 1.00 . A A . 1 ARG CD 1 1 9 2101 1 1 1 ARG CG C 5.138 5.763 -4.653 1.00 . A A . 1 ARG CG 1 1 9 2102 1 1 1 ARG CZ C 7.744 7.009 -6.795 1.00 . A A . 1 ARG CZ 1 1 9 2103 1 1 1 ARG H1 H 3.010 9.498 -4.438 1.00 . A A . 1 ARG H1 1 1 9 2104 1 1 1 ARG H2 H 4.562 9.035 -4.951 1.00 . A A . 1 ARG H2 1 1 9 2105 1 1 1 ARG H3 H 4.265 9.348 -3.308 1.00 . A A . 1 ARG H3 1 1 9 2106 1 1 1 ARG HA H 3.099 7.105 -4.882 1.00 . A A . 1 ARG HA 1 1 9 2107 1 1 1 ARG HB2 H 5.617 7.562 -3.589 1.00 . A A . 1 ARG HB2 1 1 9 2108 1 1 1 ARG HB3 H 4.727 6.371 -2.647 1.00 . A A . 1 ARG HB3 1 1 9 2109 1 1 1 ARG HD2 H 5.441 5.752 -6.784 1.00 . A A . 1 ARG HD2 1 1 9 2110 1 1 1 ARG HD3 H 4.947 7.316 -6.109 1.00 . A A . 1 ARG HD3 1 1 9 2111 1 1 1 ARG HE H 7.332 6.917 -4.855 1.00 . A A . 1 ARG HE 1 1 9 2112 1 1 1 ARG HG2 H 5.945 5.138 -4.297 1.00 . A A . 1 ARG HG2 1 1 9 2113 1 1 1 ARG HG3 H 4.264 5.162 -4.826 1.00 . A A . 1 ARG HG3 1 1 9 2114 1 1 1 ARG HH11 H 6.490 8.291 -7.684 1.00 . A A . 1 ARG HH11 1 1 9 2115 1 1 1 ARG HH12 H 7.961 7.967 -8.540 1.00 . A A . 1 ARG HH12 1 1 9 2116 1 1 1 ARG HH21 H 9.180 5.769 -6.151 1.00 . A A . 1 ARG HH21 1 1 9 2117 1 1 1 ARG HH22 H 9.482 6.541 -7.672 1.00 . A A . 1 ARG HH22 1 1 9 2118 1 1 1 ARG N N 3.862 8.961 -4.183 1.00 . A A . 1 ARG N 1 1 9 2119 1 1 1 ARG NE N 6.972 6.815 -5.760 1.00 . A A . 1 ARG NE 1 1 9 2120 1 1 1 ARG NH1 N 7.369 7.818 -7.747 1.00 . A A . 1 ARG NH1 1 1 9 2121 1 1 1 ARG NH2 N 8.892 6.392 -6.879 1.00 . A A . 1 ARG NH2 1 1 9 2122 1 1 1 ARG O O 2.825 7.592 -1.676 1.00 . A A . 1 ARG O 1 1 9 2123 1 1 2 GLN C C 0.633 5.803 -1.109 1.00 . A A . 2 GLN C 1 1 9 2124 1 1 2 GLN CA C 0.241 6.924 -2.068 1.00 . A A . 2 GLN CA 1 1 9 2125 1 1 2 GLN CB C -1.051 6.572 -2.798 1.00 . A A . 2 GLN CB 1 1 9 2126 1 1 2 GLN CD C -0.949 8.598 -4.253 1.00 . A A . 2 GLN CD 1 1 9 2127 1 1 2 GLN CG C -1.773 7.855 -3.201 1.00 . A A . 2 GLN CG 1 1 9 2128 1 1 2 GLN H H 1.026 6.916 -4.078 1.00 . A A . 2 GLN H 1 1 9 2129 1 1 2 GLN HA H 0.121 7.850 -1.535 1.00 . A A . 2 GLN HA 1 1 9 2130 1 1 2 GLN HB2 H -0.820 5.994 -3.683 1.00 . A A . 2 GLN HB2 1 1 9 2131 1 1 2 GLN HB3 H -1.688 5.994 -2.144 1.00 . A A . 2 GLN HB3 1 1 9 2132 1 1 2 GLN HE21 H -0.844 10.272 -3.189 1.00 . A A . 2 GLN HE21 1 1 9 2133 1 1 2 GLN HE22 H -0.058 10.316 -4.701 1.00 . A A . 2 GLN HE22 1 1 9 2134 1 1 2 GLN HG2 H -2.740 7.606 -3.609 1.00 . A A . 2 GLN HG2 1 1 9 2135 1 1 2 GLN HG3 H -1.897 8.487 -2.333 1.00 . A A . 2 GLN HG3 1 1 9 2136 1 1 2 GLN N N 1.269 7.069 -3.140 1.00 . A A . 2 GLN N 1 1 9 2137 1 1 2 GLN NE2 N -0.587 9.830 -4.029 1.00 . A A . 2 GLN NE2 1 1 9 2138 1 1 2 GLN O O 0.514 5.933 0.089 1.00 . A A . 2 GLN O 1 1 9 2139 1 1 2 GLN OE1 O -0.633 8.050 -5.292 1.00 . A A . 2 GLN OE1 1 1 9 2140 1 1 3 ILE C C 0.627 3.313 0.400 1.00 . A A . 3 ILE C 1 1 9 2141 1 1 3 ILE CA C 1.556 3.573 -0.800 1.00 . A A . 3 ILE CA 1 1 9 2142 1 1 3 ILE CB C 2.972 3.956 -0.387 1.00 . A A . 3 ILE CB 1 1 9 2143 1 1 3 ILE CD1 C 3.203 1.744 0.713 1.00 . A A . 3 ILE CD1 1 1 9 2144 1 1 3 ILE CG1 C 3.796 2.683 -0.337 1.00 . A A . 3 ILE CG1 1 1 9 2145 1 1 3 ILE CG2 C 3.003 4.672 0.973 1.00 . A A . 3 ILE CG2 1 1 9 2146 1 1 3 ILE H H 1.231 4.654 -2.601 1.00 . A A . 3 ILE H 1 1 9 2147 1 1 3 ILE HA H 1.607 2.684 -1.411 1.00 . A A . 3 ILE HA 1 1 9 2148 1 1 3 ILE HB H 3.378 4.607 -1.142 1.00 . A A . 3 ILE HB 1 1 9 2149 1 1 3 ILE HD11 H 2.226 1.415 0.387 1.00 . A A . 3 ILE HD11 1 1 9 2150 1 1 3 ILE HD12 H 3.107 2.273 1.651 1.00 . A A . 3 ILE HD12 1 1 9 2151 1 1 3 ILE HD13 H 3.846 0.892 0.842 1.00 . A A . 3 ILE HD13 1 1 9 2152 1 1 3 ILE HG12 H 3.748 2.215 -1.311 1.00 . A A . 3 ILE HG12 1 1 9 2153 1 1 3 ILE HG13 H 4.821 2.915 -0.086 1.00 . A A . 3 ILE HG13 1 1 9 2154 1 1 3 ILE HG21 H 3.239 3.961 1.750 1.00 . A A . 3 ILE HG21 1 1 9 2155 1 1 3 ILE HG22 H 2.042 5.116 1.173 1.00 . A A . 3 ILE HG22 1 1 9 2156 1 1 3 ILE HG23 H 3.757 5.446 0.955 1.00 . A A . 3 ILE HG23 1 1 9 2157 1 1 3 ILE N N 1.122 4.716 -1.638 1.00 . A A . 3 ILE N 1 1 9 2158 1 1 3 ILE O O 1.060 2.924 1.466 1.00 . A A . 3 ILE O 1 1 9 2159 1 1 4 LYS C C -2.466 2.043 0.981 1.00 . A A . 4 LYS C 1 1 9 2160 1 1 4 LYS CA C -1.583 3.232 1.347 1.00 . A A . 4 LYS CA 1 1 9 2161 1 1 4 LYS CB C -2.381 4.515 1.493 1.00 . A A . 4 LYS CB 1 1 9 2162 1 1 4 LYS CD C -1.944 6.322 3.152 1.00 . A A . 4 LYS CD 1 1 9 2163 1 1 4 LYS CE C -1.158 7.613 3.384 1.00 . A A . 4 LYS CE 1 1 9 2164 1 1 4 LYS CG C -1.428 5.628 1.891 1.00 . A A . 4 LYS CG 1 1 9 2165 1 1 4 LYS H H -0.992 3.802 -0.629 1.00 . A A . 4 LYS H 1 1 9 2166 1 1 4 LYS HA H -1.035 3.028 2.252 1.00 . A A . 4 LYS HA 1 1 9 2167 1 1 4 LYS HB2 H -2.865 4.758 0.559 1.00 . A A . 4 LYS HB2 1 1 9 2168 1 1 4 LYS HB3 H -3.110 4.389 2.259 1.00 . A A . 4 LYS HB3 1 1 9 2169 1 1 4 LYS HD2 H -2.993 6.553 3.031 1.00 . A A . 4 LYS HD2 1 1 9 2170 1 1 4 LYS HD3 H -1.814 5.665 3.998 1.00 . A A . 4 LYS HD3 1 1 9 2171 1 1 4 LYS HE2 H -0.366 7.446 4.101 1.00 . A A . 4 LYS HE2 1 1 9 2172 1 1 4 LYS HE3 H -0.753 7.981 2.454 1.00 . A A . 4 LYS HE3 1 1 9 2173 1 1 4 LYS HG2 H -0.459 5.194 2.089 1.00 . A A . 4 LYS HG2 1 1 9 2174 1 1 4 LYS HG3 H -1.352 6.344 1.090 1.00 . A A . 4 LYS HG3 1 1 9 2175 1 1 4 LYS HZ1 H -1.747 9.537 3.921 1.00 . A A . 4 LYS HZ1 1 1 9 2176 1 1 4 LYS HZ2 H -2.405 8.312 4.897 1.00 . A A . 4 LYS HZ2 1 1 9 2177 1 1 4 LYS HZ3 H -3.006 8.569 3.329 1.00 . A A . 4 LYS HZ3 1 1 9 2178 1 1 4 LYS N N -0.647 3.500 0.231 1.00 . A A . 4 LYS N 1 1 9 2179 1 1 4 LYS NZ N -2.155 8.581 3.924 1.00 . A A . 4 LYS NZ 1 1 9 2180 1 1 4 LYS O O -2.638 1.123 1.755 1.00 . A A . 4 LYS O 1 1 9 2181 1 1 5 ILE C C -2.834 -0.291 -0.929 1.00 . A A . 5 ILE C 1 1 9 2182 1 1 5 ILE CA C -3.793 0.870 -0.666 1.00 . A A . 5 ILE CA 1 1 9 2183 1 1 5 ILE CB C -4.473 1.324 -1.962 1.00 . A A . 5 ILE CB 1 1 9 2184 1 1 5 ILE CD1 C -5.840 2.752 -0.419 1.00 . A A . 5 ILE CD1 1 1 9 2185 1 1 5 ILE CG1 C -5.121 2.700 -1.768 1.00 . A A . 5 ILE CG1 1 1 9 2186 1 1 5 ILE CG2 C -5.549 0.311 -2.356 1.00 . A A . 5 ILE CG2 1 1 9 2187 1 1 5 ILE H H -2.785 2.762 -0.837 1.00 . A A . 5 ILE H 1 1 9 2188 1 1 5 ILE HA H -4.528 0.605 0.080 1.00 . A A . 5 ILE HA 1 1 9 2189 1 1 5 ILE HB H -3.736 1.385 -2.747 1.00 . A A . 5 ILE HB 1 1 9 2190 1 1 5 ILE HD11 H -6.323 1.805 -0.232 1.00 . A A . 5 ILE HD11 1 1 9 2191 1 1 5 ILE HD12 H -6.580 3.538 -0.435 1.00 . A A . 5 ILE HD12 1 1 9 2192 1 1 5 ILE HD13 H -5.121 2.950 0.363 1.00 . A A . 5 ILE HD13 1 1 9 2193 1 1 5 ILE HG12 H -4.357 3.463 -1.799 1.00 . A A . 5 ILE HG12 1 1 9 2194 1 1 5 ILE HG13 H -5.830 2.872 -2.561 1.00 . A A . 5 ILE HG13 1 1 9 2195 1 1 5 ILE HG21 H -5.960 -0.141 -1.466 1.00 . A A . 5 ILE HG21 1 1 9 2196 1 1 5 ILE HG22 H -5.112 -0.454 -2.980 1.00 . A A . 5 ILE HG22 1 1 9 2197 1 1 5 ILE HG23 H -6.335 0.815 -2.899 1.00 . A A . 5 ILE HG23 1 1 9 2198 1 1 5 ILE N N -2.975 2.031 -0.218 1.00 . A A . 5 ILE N 1 1 9 2199 1 1 5 ILE O O -3.208 -1.447 -0.953 1.00 . A A . 5 ILE O 1 1 9 2200 1 1 6 TRP C C -0.104 -1.562 -0.019 1.00 . A A . 6 TRP C 1 1 9 2201 1 1 6 TRP CA C -0.534 -0.987 -1.346 1.00 . A A . 6 TRP CA 1 1 9 2202 1 1 6 TRP CB C 0.632 -0.210 -1.949 1.00 . A A . 6 TRP CB 1 1 9 2203 1 1 6 TRP CD1 C 0.600 -0.390 -4.414 1.00 . A A . 6 TRP CD1 1 1 9 2204 1 1 6 TRP CD2 C -0.447 1.448 -3.705 1.00 . A A . 6 TRP CD2 1 1 9 2205 1 1 6 TRP CE2 C -0.536 1.455 -5.113 1.00 . A A . 6 TRP CE2 1 1 9 2206 1 1 6 TRP CE3 C -1.027 2.506 -2.993 1.00 . A A . 6 TRP CE3 1 1 9 2207 1 1 6 TRP CG C 0.275 0.258 -3.302 1.00 . A A . 6 TRP CG 1 1 9 2208 1 1 6 TRP CH2 C -1.758 3.529 -5.080 1.00 . A A . 6 TRP CH2 1 1 9 2209 1 1 6 TRP CZ2 C -1.182 2.478 -5.798 1.00 . A A . 6 TRP CZ2 1 1 9 2210 1 1 6 TRP CZ3 C -1.681 3.544 -3.678 1.00 . A A . 6 TRP CZ3 1 1 9 2211 1 1 6 TRP H H -1.330 0.982 -1.058 1.00 . A A . 6 TRP H 1 1 9 2212 1 1 6 TRP HA H -0.881 -1.751 -2.008 1.00 . A A . 6 TRP HA 1 1 9 2213 1 1 6 TRP HB2 H 0.857 0.640 -1.332 1.00 . A A . 6 TRP HB2 1 1 9 2214 1 1 6 TRP HB3 H 1.501 -0.848 -2.008 1.00 . A A . 6 TRP HB3 1 1 9 2215 1 1 6 TRP HD1 H 1.143 -1.304 -4.438 1.00 . A A . 6 TRP HD1 1 1 9 2216 1 1 6 TRP HE1 H 0.224 0.038 -6.436 1.00 . A A . 6 TRP HE1 1 1 9 2217 1 1 6 TRP HE3 H -0.965 2.521 -1.913 1.00 . A A . 6 TRP HE3 1 1 9 2218 1 1 6 TRP HH2 H -2.261 4.328 -5.603 1.00 . A A . 6 TRP HH2 1 1 9 2219 1 1 6 TRP HZ2 H -1.236 2.457 -6.875 1.00 . A A . 6 TRP HZ2 1 1 9 2220 1 1 6 TRP HZ3 H -2.128 4.356 -3.124 1.00 . A A . 6 TRP HZ3 1 1 9 2221 1 1 6 TRP N N -1.584 0.040 -1.105 1.00 . A A . 6 TRP N 1 1 9 2222 1 1 6 TRP NE1 N 0.120 0.307 -5.502 1.00 . A A . 6 TRP NE1 1 1 9 2223 1 1 6 TRP O O -0.181 -2.747 0.234 1.00 . A A . 6 TRP O 1 1 9 2224 1 1 7 PHE C C -0.321 -1.981 2.835 1.00 . A A . 7 PHE C 1 1 9 2225 1 1 7 PHE CA C 0.764 -1.107 2.200 1.00 . A A . 7 PHE CA 1 1 9 2226 1 1 7 PHE CB C 0.900 0.209 2.973 1.00 . A A . 7 PHE CB 1 1 9 2227 1 1 7 PHE CD1 C 2.220 -0.893 4.816 1.00 . A A . 7 PHE CD1 1 1 9 2228 1 1 7 PHE CD2 C 0.294 0.455 5.408 1.00 . A A . 7 PHE CD2 1 1 9 2229 1 1 7 PHE CE1 C 2.446 -1.166 6.171 1.00 . A A . 7 PHE CE1 1 1 9 2230 1 1 7 PHE CE2 C 0.518 0.183 6.762 1.00 . A A . 7 PHE CE2 1 1 9 2231 1 1 7 PHE CG C 1.145 -0.083 4.435 1.00 . A A . 7 PHE CG 1 1 9 2232 1 1 7 PHE CZ C 1.595 -0.627 7.144 1.00 . A A . 7 PHE CZ 1 1 9 2233 1 1 7 PHE H H 0.351 0.251 0.569 1.00 . A A . 7 PHE H 1 1 9 2234 1 1 7 PHE HA H 1.710 -1.625 2.165 1.00 . A A . 7 PHE HA 1 1 9 2235 1 1 7 PHE HB2 H 1.724 0.781 2.574 1.00 . A A . 7 PHE HB2 1 1 9 2236 1 1 7 PHE HB3 H -0.012 0.779 2.872 1.00 . A A . 7 PHE HB3 1 1 9 2237 1 1 7 PHE HD1 H 2.875 -1.308 4.065 1.00 . A A . 7 PHE HD1 1 1 9 2238 1 1 7 PHE HD2 H -0.539 1.079 5.113 1.00 . A A . 7 PHE HD2 1 1 9 2239 1 1 7 PHE HE1 H 3.275 -1.791 6.465 1.00 . A A . 7 PHE HE1 1 1 9 2240 1 1 7 PHE HE2 H -0.138 0.599 7.513 1.00 . A A . 7 PHE HE2 1 1 9 2241 1 1 7 PHE HZ H 1.769 -0.838 8.189 1.00 . A A . 7 PHE HZ 1 1 9 2242 1 1 7 PHE N N 0.330 -0.693 0.833 1.00 . A A . 7 PHE N 1 1 9 2243 1 1 7 PHE O O -0.083 -2.710 3.777 1.00 . A A . 7 PHE O 1 1 9 2244 1 1 8 ARG C C -2.818 -3.995 2.151 1.00 . A A . 8 ARG C 1 1 9 2245 1 1 8 ARG CA C -2.646 -2.656 2.878 1.00 . A A . 8 ARG CA 1 1 9 2246 1 1 8 ARG CB C -3.822 -1.737 2.611 1.00 . A A . 8 ARG CB 1 1 9 2247 1 1 8 ARG CD C -4.366 -1.511 4.999 1.00 . A A . 8 ARG CD 1 1 9 2248 1 1 8 ARG CG C -4.903 -1.982 3.650 1.00 . A A . 8 ARG CG 1 1 9 2249 1 1 8 ARG CZ C -5.083 0.194 6.566 1.00 . A A . 8 ARG CZ 1 1 9 2250 1 1 8 ARG H H -1.686 -1.270 1.583 1.00 . A A . 8 ARG H 1 1 9 2251 1 1 8 ARG HA H -2.530 -2.801 3.935 1.00 . A A . 8 ARG HA 1 1 9 2252 1 1 8 ARG HB2 H -3.481 -0.717 2.690 1.00 . A A . 8 ARG HB2 1 1 9 2253 1 1 8 ARG HB3 H -4.202 -1.916 1.622 1.00 . A A . 8 ARG HB3 1 1 9 2254 1 1 8 ARG HD2 H -4.357 -2.328 5.703 1.00 . A A . 8 ARG HD2 1 1 9 2255 1 1 8 ARG HD3 H -3.370 -1.104 4.874 1.00 . A A . 8 ARG HD3 1 1 9 2256 1 1 8 ARG HE H -6.087 -0.214 4.901 1.00 . A A . 8 ARG HE 1 1 9 2257 1 1 8 ARG HG2 H -5.793 -1.425 3.388 1.00 . A A . 8 ARG HG2 1 1 9 2258 1 1 8 ARG HG3 H -5.131 -3.034 3.698 1.00 . A A . 8 ARG HG3 1 1 9 2259 1 1 8 ARG HH11 H -4.573 -1.457 7.579 1.00 . A A . 8 ARG HH11 1 1 9 2260 1 1 8 ARG HH12 H -4.528 0.021 8.482 1.00 . A A . 8 ARG HH12 1 1 9 2261 1 1 8 ARG HH21 H -5.540 1.992 5.815 1.00 . A A . 8 ARG HH21 1 1 9 2262 1 1 8 ARG HH22 H -5.077 1.973 7.484 1.00 . A A . 8 ARG HH22 1 1 9 2263 1 1 8 ARG N N -1.518 -1.881 2.328 1.00 . A A . 8 ARG N 1 1 9 2264 1 1 8 ARG NE N -5.304 -0.441 5.446 1.00 . A A . 8 ARG NE 1 1 9 2265 1 1 8 ARG NH1 N -4.697 -0.466 7.624 1.00 . A A . 8 ARG NH1 1 1 9 2266 1 1 8 ARG NH2 N -5.246 1.487 6.626 1.00 . A A . 8 ARG NH2 1 1 9 2267 1 1 8 ARG O O -3.676 -4.785 2.496 1.00 . A A . 8 ARG O 1 1 9 2268 1 1 9 LYS C C -0.864 -6.357 0.507 1.00 . A A . 9 LYS C 1 1 9 2269 1 1 9 LYS CA C -2.162 -5.547 0.412 1.00 . A A . 9 LYS CA 1 1 9 2270 1 1 9 LYS CB C -2.445 -5.141 -1.035 1.00 . A A . 9 LYS CB 1 1 9 2271 1 1 9 LYS CD C -4.653 -6.301 -1.222 1.00 . A A . 9 LYS CD 1 1 9 2272 1 1 9 LYS CE C -6.164 -6.094 -1.336 1.00 . A A . 9 LYS CE 1 1 9 2273 1 1 9 LYS CG C -3.948 -4.943 -1.229 1.00 . A A . 9 LYS CG 1 1 9 2274 1 1 9 LYS H H -1.336 -3.616 0.875 1.00 . A A . 9 LYS H 1 1 9 2275 1 1 9 LYS HA H -2.989 -6.115 0.804 1.00 . A A . 9 LYS HA 1 1 9 2276 1 1 9 LYS HB2 H -1.932 -4.216 -1.253 1.00 . A A . 9 LYS HB2 1 1 9 2277 1 1 9 LYS HB3 H -2.095 -5.915 -1.702 1.00 . A A . 9 LYS HB3 1 1 9 2278 1 1 9 LYS HD2 H -4.305 -6.891 -2.059 1.00 . A A . 9 LYS HD2 1 1 9 2279 1 1 9 LYS HD3 H -4.432 -6.819 -0.301 1.00 . A A . 9 LYS HD3 1 1 9 2280 1 1 9 LYS HE2 H -6.437 -5.114 -0.967 1.00 . A A . 9 LYS HE2 1 1 9 2281 1 1 9 LYS HE3 H -6.486 -6.214 -2.359 1.00 . A A . 9 LYS HE3 1 1 9 2282 1 1 9 LYS HG2 H -4.333 -4.332 -0.426 1.00 . A A . 9 LYS HG2 1 1 9 2283 1 1 9 LYS HG3 H -4.127 -4.451 -2.174 1.00 . A A . 9 LYS HG3 1 1 9 2284 1 1 9 LYS HZ1 H -7.795 -7.029 -0.441 1.00 . A A . 9 LYS HZ1 1 1 9 2285 1 1 9 LYS HZ2 H -6.366 -7.099 0.475 1.00 . A A . 9 LYS HZ2 1 1 9 2286 1 1 9 LYS HZ3 H -6.551 -8.090 -0.893 1.00 . A A . 9 LYS HZ3 1 1 9 2287 1 1 9 LYS N N -2.022 -4.260 1.148 1.00 . A A . 9 LYS N 1 1 9 2288 1 1 9 LYS NZ N -6.764 -7.158 -0.484 1.00 . A A . 9 LYS NZ 1 1 9 2289 1 1 9 LYS O O -0.755 -7.279 1.291 1.00 . A A . 9 LYS O 1 1 9 2290 1 1 10 TRP C C 2.390 -6.065 0.679 1.00 . A A . 10 TRP C 1 1 9 2291 1 1 10 TRP CA C 1.397 -6.771 -0.262 1.00 . A A . 10 TRP CA 1 1 9 2292 1 1 10 TRP CB C 1.873 -6.731 -1.718 1.00 . A A . 10 TRP CB 1 1 9 2293 1 1 10 TRP CD1 C 0.557 -6.383 -3.838 1.00 . A A . 10 TRP CD1 1 1 9 2294 1 1 10 TRP CD2 C -0.410 -7.879 -2.477 1.00 . A A . 10 TRP CD2 1 1 9 2295 1 1 10 TRP CE2 C -1.236 -7.783 -3.616 1.00 . A A . 10 TRP CE2 1 1 9 2296 1 1 10 TRP CE3 C -0.794 -8.753 -1.460 1.00 . A A . 10 TRP CE3 1 1 9 2297 1 1 10 TRP CG C 0.726 -6.985 -2.646 1.00 . A A . 10 TRP CG 1 1 9 2298 1 1 10 TRP CH2 C -2.774 -9.404 -2.714 1.00 . A A . 10 TRP CH2 1 1 9 2299 1 1 10 TRP CZ2 C -2.405 -8.534 -3.740 1.00 . A A . 10 TRP CZ2 1 1 9 2300 1 1 10 TRP CZ3 C -1.969 -9.514 -1.573 1.00 . A A . 10 TRP CZ3 1 1 9 2301 1 1 10 TRP H H 0.012 -5.289 -0.924 1.00 . A A . 10 TRP H 1 1 9 2302 1 1 10 TRP HA H 1.238 -7.790 0.049 1.00 . A A . 10 TRP HA 1 1 9 2303 1 1 10 TRP HB2 H 2.278 -5.754 -1.930 1.00 . A A . 10 TRP HB2 1 1 9 2304 1 1 10 TRP HB3 H 2.632 -7.479 -1.871 1.00 . A A . 10 TRP HB3 1 1 9 2305 1 1 10 TRP HD1 H 1.223 -5.651 -4.269 1.00 . A A . 10 TRP HD1 1 1 9 2306 1 1 10 TRP HE1 H -0.952 -6.592 -5.277 1.00 . A A . 10 TRP HE1 1 1 9 2307 1 1 10 TRP HE3 H -0.183 -8.836 -0.589 1.00 . A A . 10 TRP HE3 1 1 9 2308 1 1 10 TRP HH2 H -3.677 -9.990 -2.798 1.00 . A A . 10 TRP HH2 1 1 9 2309 1 1 10 TRP HZ2 H -3.020 -8.442 -4.623 1.00 . A A . 10 TRP HZ2 1 1 9 2310 1 1 10 TRP HZ3 H -2.252 -10.188 -0.777 1.00 . A A . 10 TRP HZ3 1 1 9 2311 1 1 10 TRP N N 0.116 -6.026 -0.292 1.00 . A A . 10 TRP N 1 1 9 2312 1 1 10 TRP NE1 N -0.605 -6.860 -4.415 1.00 . A A . 10 TRP NE1 1 1 9 2313 1 1 10 TRP O O 2.164 -5.969 1.869 1.00 . A A . 10 TRP O 1 1 9 2314 1 1 11 LYS C C 5.434 -4.098 0.087 1.00 . A A . 11 LYS C 1 1 9 2315 1 1 11 LYS CA C 4.476 -4.851 1.004 1.00 . A A . 11 LYS CA 1 1 9 2316 1 1 11 LYS CB C 5.214 -5.933 1.798 1.00 . A A . 11 LYS CB 1 1 9 2317 1 1 11 LYS CD C 4.919 -8.016 0.475 1.00 . A A . 11 LYS CD 1 1 9 2318 1 1 11 LYS CE C 4.843 -8.159 -1.047 1.00 . A A . 11 LYS CE 1 1 9 2319 1 1 11 LYS CG C 5.899 -6.903 0.838 1.00 . A A . 11 LYS CG 1 1 9 2320 1 1 11 LYS H H 3.638 -5.634 -0.809 1.00 . A A . 11 LYS H 1 1 9 2321 1 1 11 LYS HA H 3.979 -4.179 1.672 1.00 . A A . 11 LYS HA 1 1 9 2322 1 1 11 LYS HB2 H 5.956 -5.469 2.432 1.00 . A A . 11 LYS HB2 1 1 9 2323 1 1 11 LYS HB3 H 4.507 -6.474 2.410 1.00 . A A . 11 LYS HB3 1 1 9 2324 1 1 11 LYS HD2 H 5.254 -8.947 0.911 1.00 . A A . 11 LYS HD2 1 1 9 2325 1 1 11 LYS HD3 H 3.943 -7.765 0.860 1.00 . A A . 11 LYS HD3 1 1 9 2326 1 1 11 LYS HE2 H 4.036 -8.824 -1.321 1.00 . A A . 11 LYS HE2 1 1 9 2327 1 1 11 LYS HE3 H 4.711 -7.193 -1.511 1.00 . A A . 11 LYS HE3 1 1 9 2328 1 1 11 LYS HG2 H 6.197 -6.375 -0.054 1.00 . A A . 11 LYS HG2 1 1 9 2329 1 1 11 LYS HG3 H 6.768 -7.331 1.314 1.00 . A A . 11 LYS HG3 1 1 9 2330 1 1 11 LYS HZ1 H 6.926 -8.180 -1.030 1.00 . A A . 11 LYS HZ1 1 1 9 2331 1 1 11 LYS HZ2 H 6.239 -8.725 -2.485 1.00 . A A . 11 LYS HZ2 1 1 9 2332 1 1 11 LYS HZ3 H 6.220 -9.720 -1.109 1.00 . A A . 11 LYS HZ3 1 1 9 2333 1 1 11 LYS N N 3.479 -5.562 0.155 1.00 . A A . 11 LYS N 1 1 9 2334 1 1 11 LYS NZ N 6.156 -8.739 -1.448 1.00 . A A . 11 LYS NZ 1 1 9 2335 1 1 11 LYS O O 6.602 -3.947 0.381 1.00 . A A . 11 LYS O 1 1 9 2336 1 1 12 LYS C C 7.244 -2.975 -1.771 1.00 . A A . 12 LYS C 1 1 9 2337 1 1 12 LYS CA C 5.736 -2.928 -2.066 1.00 . A A . 12 LYS CA 1 1 9 2338 1 1 12 LYS CB C 5.220 -1.475 -2.086 1.00 . A A . 12 LYS CB 1 1 9 2339 1 1 12 LYS CD C 5.739 -1.054 0.325 1.00 . A A . 12 LYS CD 1 1 9 2340 1 1 12 LYS CE C 6.453 0.300 0.289 1.00 . A A . 12 LYS CE 1 1 9 2341 1 1 12 LYS CG C 4.632 -1.075 -0.726 1.00 . A A . 12 LYS CG 1 1 9 2342 1 1 12 LYS H H 3.977 -3.829 -1.227 1.00 . A A . 12 LYS H 1 1 9 2343 1 1 12 LYS HA H 5.546 -3.377 -3.021 1.00 . A A . 12 LYS HA 1 1 9 2344 1 1 12 LYS HB2 H 6.039 -0.812 -2.325 1.00 . A A . 12 LYS HB2 1 1 9 2345 1 1 12 LYS HB3 H 4.455 -1.381 -2.843 1.00 . A A . 12 LYS HB3 1 1 9 2346 1 1 12 LYS HD2 H 5.311 -1.210 1.305 1.00 . A A . 12 LYS HD2 1 1 9 2347 1 1 12 LYS HD3 H 6.447 -1.836 0.112 1.00 . A A . 12 LYS HD3 1 1 9 2348 1 1 12 LYS HE2 H 7.107 0.356 -0.571 1.00 . A A . 12 LYS HE2 1 1 9 2349 1 1 12 LYS HE3 H 5.735 1.104 0.270 1.00 . A A . 12 LYS HE3 1 1 9 2350 1 1 12 LYS HG2 H 4.191 -0.091 -0.803 1.00 . A A . 12 LYS HG2 1 1 9 2351 1 1 12 LYS HG3 H 3.873 -1.784 -0.434 1.00 . A A . 12 LYS HG3 1 1 9 2352 1 1 12 LYS HZ1 H 7.655 1.300 1.663 1.00 . A A . 12 LYS HZ1 1 1 9 2353 1 1 12 LYS HZ2 H 8.005 -0.355 1.510 1.00 . A A . 12 LYS HZ2 1 1 9 2354 1 1 12 LYS HZ3 H 6.622 0.148 2.358 1.00 . A A . 12 LYS HZ3 1 1 9 2355 1 1 12 LYS N N 4.923 -3.657 -1.039 1.00 . A A . 12 LYS N 1 1 9 2356 1 1 12 LYS NZ N 7.244 0.352 1.550 1.00 . A A . 12 LYS NZ 1 1 9 2357 1 1 12 LYS O O 7.788 -4.067 -1.751 1.00 . A A . 12 LYS O 1 1 9 2358 1 1 12 LYS OXT O 7.827 -1.920 -1.579 1.00 . A A . 12 LYS OXT 1 1 10 2359 1 1 1 ARG C C 1.567 8.649 -3.239 1.00 . A A . 1 ARG C 1 1 10 2360 1 1 1 ARG CA C 2.280 8.931 -4.565 1.00 . A A . 1 ARG CA 1 1 10 2361 1 1 1 ARG CB C 3.650 8.237 -4.604 1.00 . A A . 1 ARG CB 1 1 10 2362 1 1 1 ARG CD C 5.821 9.184 -3.775 1.00 . A A . 1 ARG CD 1 1 10 2363 1 1 1 ARG CG C 4.466 8.593 -3.368 1.00 . A A . 1 ARG CG 1 1 10 2364 1 1 1 ARG CZ C 6.128 11.517 -4.337 1.00 . A A . 1 ARG CZ 1 1 10 2365 1 1 1 ARG H1 H 3.272 10.672 -3.991 1.00 . A A . 1 ARG H1 1 1 10 2366 1 1 1 ARG H2 H 1.686 10.926 -4.541 1.00 . A A . 1 ARG H2 1 1 10 2367 1 1 1 ARG H3 H 2.929 10.587 -5.649 1.00 . A A . 1 ARG H3 1 1 10 2368 1 1 1 ARG HA H 1.676 8.593 -5.393 1.00 . A A . 1 ARG HA 1 1 10 2369 1 1 1 ARG HB2 H 3.506 7.168 -4.637 1.00 . A A . 1 ARG HB2 1 1 10 2370 1 1 1 ARG HB3 H 4.190 8.544 -5.474 1.00 . A A . 1 ARG HB3 1 1 10 2371 1 1 1 ARG HD2 H 6.395 9.445 -2.897 1.00 . A A . 1 ARG HD2 1 1 10 2372 1 1 1 ARG HD3 H 6.367 8.485 -4.390 1.00 . A A . 1 ARG HD3 1 1 10 2373 1 1 1 ARG HE H 4.794 10.361 -5.243 1.00 . A A . 1 ARG HE 1 1 10 2374 1 1 1 ARG HG2 H 3.926 9.304 -2.762 1.00 . A A . 1 ARG HG2 1 1 10 2375 1 1 1 ARG HG3 H 4.633 7.702 -2.813 1.00 . A A . 1 ARG HG3 1 1 10 2376 1 1 1 ARG HH11 H 7.943 10.677 -4.431 1.00 . A A . 1 ARG HH11 1 1 10 2377 1 1 1 ARG HH12 H 7.921 12.381 -4.122 1.00 . A A . 1 ARG HH12 1 1 10 2378 1 1 1 ARG HH21 H 4.462 12.617 -4.189 1.00 . A A . 1 ARG HH21 1 1 10 2379 1 1 1 ARG HH22 H 5.949 13.480 -3.984 1.00 . A A . 1 ARG HH22 1 1 10 2380 1 1 1 ARG N N 2.565 10.389 -4.696 1.00 . A A . 1 ARG N 1 1 10 2381 1 1 1 ARG NE N 5.490 10.400 -4.560 1.00 . A A . 1 ARG NE 1 1 10 2382 1 1 1 ARG NH1 N 7.432 11.525 -4.294 1.00 . A A . 1 ARG NH1 1 1 10 2383 1 1 1 ARG NH2 N 5.461 12.624 -4.156 1.00 . A A . 1 ARG NH2 1 1 10 2384 1 1 1 ARG O O 1.675 9.404 -2.293 1.00 . A A . 1 ARG O 1 1 10 2385 1 1 2 GLN C C 0.703 5.965 -1.280 1.00 . A A . 2 GLN C 1 1 10 2386 1 1 2 GLN CA C 0.122 7.234 -1.899 1.00 . A A . 2 GLN CA 1 1 10 2387 1 1 2 GLN CB C -1.334 7.015 -2.312 1.00 . A A . 2 GLN CB 1 1 10 2388 1 1 2 GLN CD C -1.773 9.465 -2.540 1.00 . A A . 2 GLN CD 1 1 10 2389 1 1 2 GLN CG C -2.189 8.184 -1.817 1.00 . A A . 2 GLN CG 1 1 10 2390 1 1 2 GLN H H 0.768 6.970 -3.938 1.00 . A A . 2 GLN H 1 1 10 2391 1 1 2 GLN HA H 0.190 8.050 -1.203 1.00 . A A . 2 GLN HA 1 1 10 2392 1 1 2 GLN HB2 H -1.398 6.955 -3.390 1.00 . A A . 2 GLN HB2 1 1 10 2393 1 1 2 GLN HB3 H -1.699 6.097 -1.875 1.00 . A A . 2 GLN HB3 1 1 10 2394 1 1 2 GLN HE21 H -1.642 10.530 -0.866 1.00 . A A . 2 GLN HE21 1 1 10 2395 1 1 2 GLN HE22 H -1.278 11.374 -2.302 1.00 . A A . 2 GLN HE22 1 1 10 2396 1 1 2 GLN HG2 H -3.230 7.976 -2.019 1.00 . A A . 2 GLN HG2 1 1 10 2397 1 1 2 GLN HG3 H -2.043 8.310 -0.753 1.00 . A A . 2 GLN HG3 1 1 10 2398 1 1 2 GLN N N 0.840 7.565 -3.163 1.00 . A A . 2 GLN N 1 1 10 2399 1 1 2 GLN NE2 N -1.546 10.546 -1.845 1.00 . A A . 2 GLN NE2 1 1 10 2400 1 1 2 GLN O O 0.977 5.914 -0.101 1.00 . A A . 2 GLN O 1 1 10 2401 1 1 2 GLN OE1 O -1.655 9.483 -3.749 1.00 . A A . 2 GLN OE1 1 1 10 2402 1 1 3 ILE C C 1.024 3.310 -0.171 1.00 . A A . 3 ILE C 1 1 10 2403 1 1 3 ILE CA C 1.501 3.685 -1.587 1.00 . A A . 3 ILE CA 1 1 10 2404 1 1 3 ILE CB C 3.003 3.940 -1.660 1.00 . A A . 3 ILE CB 1 1 10 2405 1 1 3 ILE CD1 C 3.375 1.587 -0.959 1.00 . A A . 3 ILE CD1 1 1 10 2406 1 1 3 ILE CG1 C 3.676 2.633 -2.034 1.00 . A A . 3 ILE CG1 1 1 10 2407 1 1 3 ILE CG2 C 3.561 4.474 -0.333 1.00 . A A . 3 ILE CG2 1 1 10 2408 1 1 3 ILE H H 0.714 5.038 -3.028 1.00 . A A . 3 ILE H 1 1 10 2409 1 1 3 ILE HA H 1.254 2.887 -2.272 1.00 . A A . 3 ILE HA 1 1 10 2410 1 1 3 ILE HB H 3.185 4.661 -2.439 1.00 . A A . 3 ILE HB 1 1 10 2411 1 1 3 ILE HD11 H 3.665 1.975 0.007 1.00 . A A . 3 ILE HD11 1 1 10 2412 1 1 3 ILE HD12 H 3.925 0.686 -1.167 1.00 . A A . 3 ILE HD12 1 1 10 2413 1 1 3 ILE HD13 H 2.315 1.373 -0.957 1.00 . A A . 3 ILE HD13 1 1 10 2414 1 1 3 ILE HG12 H 3.270 2.306 -2.983 1.00 . A A . 3 ILE HG12 1 1 10 2415 1 1 3 ILE HG13 H 4.744 2.777 -2.116 1.00 . A A . 3 ILE HG13 1 1 10 2416 1 1 3 ILE HG21 H 4.344 5.189 -0.536 1.00 . A A . 3 ILE HG21 1 1 10 2417 1 1 3 ILE HG22 H 3.962 3.657 0.246 1.00 . A A . 3 ILE HG22 1 1 10 2418 1 1 3 ILE HG23 H 2.774 4.956 0.225 1.00 . A A . 3 ILE HG23 1 1 10 2419 1 1 3 ILE N N 0.916 4.955 -2.080 1.00 . A A . 3 ILE N 1 1 10 2420 1 1 3 ILE O O 1.775 2.807 0.640 1.00 . A A . 3 ILE O 1 1 10 2421 1 1 4 LYS C C -1.778 2.045 1.303 1.00 . A A . 4 LYS C 1 1 10 2422 1 1 4 LYS CA C -0.736 3.146 1.463 1.00 . A A . 4 LYS CA 1 1 10 2423 1 1 4 LYS CB C -1.329 4.425 2.025 1.00 . A A . 4 LYS CB 1 1 10 2424 1 1 4 LYS CD C -0.246 5.923 3.710 1.00 . A A . 4 LYS CD 1 1 10 2425 1 1 4 LYS CE C 0.918 5.326 4.503 1.00 . A A . 4 LYS CE 1 1 10 2426 1 1 4 LYS CG C -0.197 5.413 2.266 1.00 . A A . 4 LYS CG 1 1 10 2427 1 1 4 LYS H H -0.828 3.914 -0.535 1.00 . A A . 4 LYS H 1 1 10 2428 1 1 4 LYS HA H 0.074 2.805 2.088 1.00 . A A . 4 LYS HA 1 1 10 2429 1 1 4 LYS HB2 H -2.040 4.841 1.327 1.00 . A A . 4 LYS HB2 1 1 10 2430 1 1 4 LYS HB3 H -1.809 4.212 2.950 1.00 . A A . 4 LYS HB3 1 1 10 2431 1 1 4 LYS HD2 H -0.169 7.000 3.714 1.00 . A A . 4 LYS HD2 1 1 10 2432 1 1 4 LYS HD3 H -1.179 5.627 4.166 1.00 . A A . 4 LYS HD3 1 1 10 2433 1 1 4 LYS HE2 H 1.111 4.312 4.180 1.00 . A A . 4 LYS HE2 1 1 10 2434 1 1 4 LYS HE3 H 1.802 5.933 4.390 1.00 . A A . 4 LYS HE3 1 1 10 2435 1 1 4 LYS HG2 H 0.740 4.907 2.091 1.00 . A A . 4 LYS HG2 1 1 10 2436 1 1 4 LYS HG3 H -0.292 6.246 1.588 1.00 . A A . 4 LYS HG3 1 1 10 2437 1 1 4 LYS HZ1 H 0.421 6.326 6.260 1.00 . A A . 4 LYS HZ1 1 1 10 2438 1 1 4 LYS HZ2 H 1.135 4.805 6.507 1.00 . A A . 4 LYS HZ2 1 1 10 2439 1 1 4 LYS HZ3 H -0.479 4.914 5.991 1.00 . A A . 4 LYS HZ3 1 1 10 2440 1 1 4 LYS N N -0.224 3.523 0.123 1.00 . A A . 4 LYS N 1 1 10 2441 1 1 4 LYS NZ N 0.465 5.345 5.922 1.00 . A A . 4 LYS NZ 1 1 10 2442 1 1 4 LYS O O -1.757 1.051 2.002 1.00 . A A . 4 LYS O 1 1 10 2443 1 1 5 ILE C C -2.921 -0.042 -0.599 1.00 . A A . 5 ILE C 1 1 10 2444 1 1 5 ILE CA C -3.652 1.113 0.092 1.00 . A A . 5 ILE CA 1 1 10 2445 1 1 5 ILE CB C -4.694 1.737 -0.841 1.00 . A A . 5 ILE CB 1 1 10 2446 1 1 5 ILE CD1 C -5.350 3.025 1.208 1.00 . A A . 5 ILE CD1 1 1 10 2447 1 1 5 ILE CG1 C -5.131 3.105 -0.304 1.00 . A A . 5 ILE CG1 1 1 10 2448 1 1 5 ILE CG2 C -5.912 0.818 -0.935 1.00 . A A . 5 ILE CG2 1 1 10 2449 1 1 5 ILE H H -2.616 2.972 -0.235 1.00 . A A . 5 ILE H 1 1 10 2450 1 1 5 ILE HA H -4.109 0.785 1.013 1.00 . A A . 5 ILE HA 1 1 10 2451 1 1 5 ILE HB H -4.264 1.862 -1.823 1.00 . A A . 5 ILE HB 1 1 10 2452 1 1 5 ILE HD11 H -5.729 2.047 1.464 1.00 . A A . 5 ILE HD11 1 1 10 2453 1 1 5 ILE HD12 H -6.060 3.780 1.509 1.00 . A A . 5 ILE HD12 1 1 10 2454 1 1 5 ILE HD13 H -4.411 3.191 1.715 1.00 . A A . 5 ILE HD13 1 1 10 2455 1 1 5 ILE HG12 H -4.365 3.836 -0.520 1.00 . A A . 5 ILE HG12 1 1 10 2456 1 1 5 ILE HG13 H -6.049 3.397 -0.786 1.00 . A A . 5 ILE HG13 1 1 10 2457 1 1 5 ILE HG21 H -6.332 0.675 0.050 1.00 . A A . 5 ILE HG21 1 1 10 2458 1 1 5 ILE HG22 H -5.613 -0.137 -1.341 1.00 . A A . 5 ILE HG22 1 1 10 2459 1 1 5 ILE HG23 H -6.653 1.267 -1.579 1.00 . A A . 5 ILE HG23 1 1 10 2460 1 1 5 ILE N N -2.651 2.185 0.346 1.00 . A A . 5 ILE N 1 1 10 2461 1 1 5 ILE O O -3.403 -1.153 -0.685 1.00 . A A . 5 ILE O 1 1 10 2462 1 1 6 TRP C C -0.065 -1.486 -0.709 1.00 . A A . 6 TRP C 1 1 10 2463 1 1 6 TRP CA C -0.898 -0.778 -1.749 1.00 . A A . 6 TRP CA 1 1 10 2464 1 1 6 TRP CB C 0.022 0.034 -2.657 1.00 . A A . 6 TRP CB 1 1 10 2465 1 1 6 TRP CD1 C -0.847 0.089 -4.970 1.00 . A A . 6 TRP CD1 1 1 10 2466 1 1 6 TRP CD2 C -1.559 1.833 -3.774 1.00 . A A . 6 TRP CD2 1 1 10 2467 1 1 6 TRP CE2 C -2.121 1.973 -5.062 1.00 . A A . 6 TRP CE2 1 1 10 2468 1 1 6 TRP CE3 C -1.846 2.808 -2.810 1.00 . A A . 6 TRP CE3 1 1 10 2469 1 1 6 TRP CG C -0.762 0.622 -3.757 1.00 . A A . 6 TRP CG 1 1 10 2470 1 1 6 TRP CH2 C -3.226 4.013 -4.415 1.00 . A A . 6 TRP CH2 1 1 10 2471 1 1 6 TRP CZ2 C -2.945 3.047 -5.385 1.00 . A A . 6 TRP CZ2 1 1 10 2472 1 1 6 TRP CZ3 C -2.676 3.895 -3.128 1.00 . A A . 6 TRP CZ3 1 1 10 2473 1 1 6 TRP H H -1.389 1.150 -0.963 1.00 . A A . 6 TRP H 1 1 10 2474 1 1 6 TRP HA H -1.492 -1.468 -2.310 1.00 . A A . 6 TRP HA 1 1 10 2475 1 1 6 TRP HB2 H 0.479 0.825 -2.090 1.00 . A A . 6 TRP HB2 1 1 10 2476 1 1 6 TRP HB3 H 0.791 -0.604 -3.063 1.00 . A A . 6 TRP HB3 1 1 10 2477 1 1 6 TRP HD1 H -0.360 -0.810 -5.265 1.00 . A A . 6 TRP HD1 1 1 10 2478 1 1 6 TRP HE1 H -1.881 0.701 -6.693 1.00 . A A . 6 TRP HE1 1 1 10 2479 1 1 6 TRP HE3 H -1.421 2.720 -1.818 1.00 . A A . 6 TRP HE3 1 1 10 2480 1 1 6 TRP HH2 H -3.863 4.850 -4.658 1.00 . A A . 6 TRP HH2 1 1 10 2481 1 1 6 TRP HZ2 H -3.362 3.128 -6.376 1.00 . A A . 6 TRP HZ2 1 1 10 2482 1 1 6 TRP HZ3 H -2.895 4.643 -2.380 1.00 . A A . 6 TRP HZ3 1 1 10 2483 1 1 6 TRP N N -1.738 0.244 -1.072 1.00 . A A . 6 TRP N 1 1 10 2484 1 1 6 TRP NE1 N -1.656 0.878 -5.758 1.00 . A A . 6 TRP NE1 1 1 10 2485 1 1 6 TRP O O -0.112 -2.689 -0.541 1.00 . A A . 6 TRP O 1 1 10 2486 1 1 7 PHE C C 0.687 -2.158 2.004 1.00 . A A . 7 PHE C 1 1 10 2487 1 1 7 PHE CA C 1.536 -1.261 1.097 1.00 . A A . 7 PHE CA 1 1 10 2488 1 1 7 PHE CB C 2.015 -0.027 1.868 1.00 . A A . 7 PHE CB 1 1 10 2489 1 1 7 PHE CD1 C 4.109 -0.714 3.088 1.00 . A A . 7 PHE CD1 1 1 10 2490 1 1 7 PHE CD2 C 2.027 -0.595 4.324 1.00 . A A . 7 PHE CD2 1 1 10 2491 1 1 7 PHE CE1 C 4.777 -1.111 4.252 1.00 . A A . 7 PHE CE1 1 1 10 2492 1 1 7 PHE CE2 C 2.695 -0.992 5.488 1.00 . A A . 7 PHE CE2 1 1 10 2493 1 1 7 PHE CG C 2.736 -0.456 3.124 1.00 . A A . 7 PHE CG 1 1 10 2494 1 1 7 PHE CZ C 4.070 -1.250 5.453 1.00 . A A . 7 PHE CZ 1 1 10 2495 1 1 7 PHE H H 0.656 0.255 -0.169 1.00 . A A . 7 PHE H 1 1 10 2496 1 1 7 PHE HA H 2.375 -1.802 0.693 1.00 . A A . 7 PHE HA 1 1 10 2497 1 1 7 PHE HB2 H 2.683 0.550 1.247 1.00 . A A . 7 PHE HB2 1 1 10 2498 1 1 7 PHE HB3 H 1.163 0.579 2.136 1.00 . A A . 7 PHE HB3 1 1 10 2499 1 1 7 PHE HD1 H 4.652 -0.608 2.161 1.00 . A A . 7 PHE HD1 1 1 10 2500 1 1 7 PHE HD2 H 0.964 -0.396 4.351 1.00 . A A . 7 PHE HD2 1 1 10 2501 1 1 7 PHE HE1 H 5.839 -1.311 4.224 1.00 . A A . 7 PHE HE1 1 1 10 2502 1 1 7 PHE HE2 H 2.149 -1.099 6.414 1.00 . A A . 7 PHE HE2 1 1 10 2503 1 1 7 PHE HZ H 4.586 -1.557 6.350 1.00 . A A . 7 PHE HZ 1 1 10 2504 1 1 7 PHE N N 0.680 -0.710 0.007 1.00 . A A . 7 PHE N 1 1 10 2505 1 1 7 PHE O O 1.193 -2.982 2.741 1.00 . A A . 7 PHE O 1 1 10 2506 1 1 8 ARG C C -2.007 -4.020 2.067 1.00 . A A . 8 ARG C 1 1 10 2507 1 1 8 ARG CA C -1.517 -2.768 2.802 1.00 . A A . 8 ARG CA 1 1 10 2508 1 1 8 ARG CB C -2.655 -1.796 3.041 1.00 . A A . 8 ARG CB 1 1 10 2509 1 1 8 ARG CD C -2.326 -1.761 5.477 1.00 . A A . 8 ARG CD 1 1 10 2510 1 1 8 ARG CG C -3.318 -2.107 4.371 1.00 . A A . 8 ARG CG 1 1 10 2511 1 1 8 ARG CZ C -2.657 -0.535 7.539 1.00 . A A . 8 ARG CZ 1 1 10 2512 1 1 8 ARG H H -0.981 -1.293 1.368 1.00 . A A . 8 ARG H 1 1 10 2513 1 1 8 ARG HA H -1.052 -3.022 3.737 1.00 . A A . 8 ARG HA 1 1 10 2514 1 1 8 ARG HB2 H -2.248 -0.798 3.075 1.00 . A A . 8 ARG HB2 1 1 10 2515 1 1 8 ARG HB3 H -3.366 -1.870 2.239 1.00 . A A . 8 ARG HB3 1 1 10 2516 1 1 8 ARG HD2 H -2.112 -2.634 6.076 1.00 . A A . 8 ARG HD2 1 1 10 2517 1 1 8 ARG HD3 H -1.415 -1.365 5.042 1.00 . A A . 8 ARG HD3 1 1 10 2518 1 1 8 ARG HE H -3.703 -0.159 5.894 1.00 . A A . 8 ARG HE 1 1 10 2519 1 1 8 ARG HG2 H -4.216 -1.513 4.479 1.00 . A A . 8 ARG HG2 1 1 10 2520 1 1 8 ARG HG3 H -3.564 -3.156 4.419 1.00 . A A . 8 ARG HG3 1 1 10 2521 1 1 8 ARG HH11 H -2.690 -2.486 7.988 1.00 . A A . 8 ARG HH11 1 1 10 2522 1 1 8 ARG HH12 H -2.262 -1.425 9.289 1.00 . A A . 8 ARG HH12 1 1 10 2523 1 1 8 ARG HH21 H -2.544 1.458 7.382 1.00 . A A . 8 ARG HH21 1 1 10 2524 1 1 8 ARG HH22 H -2.179 0.807 8.946 1.00 . A A . 8 ARG HH22 1 1 10 2525 1 1 8 ARG N N -0.603 -1.976 1.957 1.00 . A A . 8 ARG N 1 1 10 2526 1 1 8 ARG NE N -3.001 -0.714 6.293 1.00 . A A . 8 ARG NE 1 1 10 2527 1 1 8 ARG NH1 N -2.526 -1.562 8.334 1.00 . A A . 8 ARG NH1 1 1 10 2528 1 1 8 ARG NH2 N -2.443 0.671 7.991 1.00 . A A . 8 ARG NH2 1 1 10 2529 1 1 8 ARG O O -2.537 -4.935 2.668 1.00 . A A . 8 ARG O 1 1 10 2530 1 1 9 LYS C C -1.230 -6.348 0.008 1.00 . A A . 9 LYS C 1 1 10 2531 1 1 9 LYS CA C -2.304 -5.258 0.000 1.00 . A A . 9 LYS CA 1 1 10 2532 1 1 9 LYS CB C -2.530 -4.744 -1.422 1.00 . A A . 9 LYS CB 1 1 10 2533 1 1 9 LYS CD C -4.993 -5.163 -1.500 1.00 . A A . 9 LYS CD 1 1 10 2534 1 1 9 LYS CE C -6.371 -4.499 -1.535 1.00 . A A . 9 LYS CE 1 1 10 2535 1 1 9 LYS CG C -3.906 -4.087 -1.519 1.00 . A A . 9 LYS CG 1 1 10 2536 1 1 9 LYS H H -1.416 -3.319 0.304 1.00 . A A . 9 LYS H 1 1 10 2537 1 1 9 LYS HA H -3.229 -5.635 0.407 1.00 . A A . 9 LYS HA 1 1 10 2538 1 1 9 LYS HB2 H -1.769 -4.014 -1.664 1.00 . A A . 9 LYS HB2 1 1 10 2539 1 1 9 LYS HB3 H -2.477 -5.569 -2.117 1.00 . A A . 9 LYS HB3 1 1 10 2540 1 1 9 LYS HD2 H -4.878 -5.805 -2.363 1.00 . A A . 9 LYS HD2 1 1 10 2541 1 1 9 LYS HD3 H -4.901 -5.752 -0.600 1.00 . A A . 9 LYS HD3 1 1 10 2542 1 1 9 LYS HE2 H -6.565 -3.992 -0.600 1.00 . A A . 9 LYS HE2 1 1 10 2543 1 1 9 LYS HE3 H -6.435 -3.809 -2.361 1.00 . A A . 9 LYS HE3 1 1 10 2544 1 1 9 LYS HG2 H -4.042 -3.420 -0.682 1.00 . A A . 9 LYS HG2 1 1 10 2545 1 1 9 LYS HG3 H -3.973 -3.528 -2.439 1.00 . A A . 9 LYS HG3 1 1 10 2546 1 1 9 LYS HZ1 H -7.247 -6.292 -0.943 1.00 . A A . 9 LYS HZ1 1 1 10 2547 1 1 9 LYS HZ2 H -7.121 -6.104 -2.627 1.00 . A A . 9 LYS HZ2 1 1 10 2548 1 1 9 LYS HZ3 H -8.301 -5.244 -1.759 1.00 . A A . 9 LYS HZ3 1 1 10 2549 1 1 9 LYS N N -1.842 -4.067 0.771 1.00 . A A . 9 LYS N 1 1 10 2550 1 1 9 LYS NZ N -7.332 -5.620 -1.731 1.00 . A A . 9 LYS NZ 1 1 10 2551 1 1 9 LYS O O -1.438 -7.435 0.511 1.00 . A A . 9 LYS O 1 1 10 2552 1 1 10 TRP C C 1.895 -6.910 0.656 1.00 . A A . 10 TRP C 1 1 10 2553 1 1 10 TRP CA C 1.005 -7.068 -0.590 1.00 . A A . 10 TRP CA 1 1 10 2554 1 1 10 TRP CB C 1.775 -6.729 -1.875 1.00 . A A . 10 TRP CB 1 1 10 2555 1 1 10 TRP CD1 C 1.052 -5.402 -3.883 1.00 . A A . 10 TRP CD1 1 1 10 2556 1 1 10 TRP CD2 C -0.460 -6.954 -3.306 1.00 . A A . 10 TRP CD2 1 1 10 2557 1 1 10 TRP CE2 C -0.981 -6.289 -4.434 1.00 . A A . 10 TRP CE2 1 1 10 2558 1 1 10 TRP CE3 C -1.218 -7.978 -2.740 1.00 . A A . 10 TRP CE3 1 1 10 2559 1 1 10 TRP CG C 0.834 -6.375 -2.979 1.00 . A A . 10 TRP CG 1 1 10 2560 1 1 10 TRP CH2 C -2.962 -7.661 -4.405 1.00 . A A . 10 TRP CH2 1 1 10 2561 1 1 10 TRP CZ2 C -2.216 -6.633 -4.984 1.00 . A A . 10 TRP CZ2 1 1 10 2562 1 1 10 TRP CZ3 C -2.464 -8.334 -3.281 1.00 . A A . 10 TRP CZ3 1 1 10 2563 1 1 10 TRP H H 0.063 -5.186 -0.954 1.00 . A A . 10 TRP H 1 1 10 2564 1 1 10 TRP HA H 0.603 -8.067 -0.648 1.00 . A A . 10 TRP HA 1 1 10 2565 1 1 10 TRP HB2 H 2.412 -5.880 -1.691 1.00 . A A . 10 TRP HB2 1 1 10 2566 1 1 10 TRP HB3 H 2.376 -7.574 -2.170 1.00 . A A . 10 TRP HB3 1 1 10 2567 1 1 10 TRP HD1 H 1.927 -4.765 -3.921 1.00 . A A . 10 TRP HD1 1 1 10 2568 1 1 10 TRP HE1 H -0.116 -4.744 -5.494 1.00 . A A . 10 TRP HE1 1 1 10 2569 1 1 10 TRP HE3 H -0.841 -8.491 -1.881 1.00 . A A . 10 TRP HE3 1 1 10 2570 1 1 10 TRP HH2 H -3.920 -7.935 -4.820 1.00 . A A . 10 TRP HH2 1 1 10 2571 1 1 10 TRP HZ2 H -2.592 -6.108 -5.850 1.00 . A A . 10 TRP HZ2 1 1 10 2572 1 1 10 TRP HZ3 H -3.039 -9.130 -2.832 1.00 . A A . 10 TRP HZ3 1 1 10 2573 1 1 10 TRP N N -0.085 -6.064 -0.551 1.00 . A A . 10 TRP N 1 1 10 2574 1 1 10 TRP NE1 N -0.024 -5.354 -4.749 1.00 . A A . 10 TRP NE1 1 1 10 2575 1 1 10 TRP O O 1.455 -7.111 1.771 1.00 . A A . 10 TRP O 1 1 10 2576 1 1 11 LYS C C 5.151 -5.395 1.124 1.00 . A A . 11 LYS C 1 1 10 2577 1 1 11 LYS CA C 4.054 -6.325 1.616 1.00 . A A . 11 LYS CA 1 1 10 2578 1 1 11 LYS CB C 4.623 -7.701 1.972 1.00 . A A . 11 LYS CB 1 1 10 2579 1 1 11 LYS CD C 3.942 -9.370 0.260 1.00 . A A . 11 LYS CD 1 1 10 2580 1 1 11 LYS CE C 3.839 -9.371 -1.266 1.00 . A A . 11 LYS CE 1 1 10 2581 1 1 11 LYS CG C 5.059 -8.427 0.700 1.00 . A A . 11 LYS CG 1 1 10 2582 1 1 11 LYS H H 3.459 -6.352 -0.432 1.00 . A A . 11 LYS H 1 1 10 2583 1 1 11 LYS HA H 3.532 -5.904 2.453 1.00 . A A . 11 LYS HA 1 1 10 2584 1 1 11 LYS HB2 H 5.475 -7.580 2.625 1.00 . A A . 11 LYS HB2 1 1 10 2585 1 1 11 LYS HB3 H 3.866 -8.284 2.473 1.00 . A A . 11 LYS HB3 1 1 10 2586 1 1 11 LYS HD2 H 4.157 -10.371 0.609 1.00 . A A . 11 LYS HD2 1 1 10 2587 1 1 11 LYS HD3 H 3.008 -9.033 0.684 1.00 . A A . 11 LYS HD3 1 1 10 2588 1 1 11 LYS HE2 H 2.802 -9.428 -1.571 1.00 . A A . 11 LYS HE2 1 1 10 2589 1 1 11 LYS HE3 H 4.306 -8.490 -1.677 1.00 . A A . 11 LYS HE3 1 1 10 2590 1 1 11 LYS HG2 H 5.250 -7.702 -0.078 1.00 . A A . 11 LYS HG2 1 1 10 2591 1 1 11 LYS HG3 H 5.956 -8.996 0.895 1.00 . A A . 11 LYS HG3 1 1 10 2592 1 1 11 LYS HZ1 H 4.126 -11.433 -1.293 1.00 . A A . 11 LYS HZ1 1 1 10 2593 1 1 11 LYS HZ2 H 5.564 -10.532 -1.375 1.00 . A A . 11 LYS HZ2 1 1 10 2594 1 1 11 LYS HZ3 H 4.557 -10.657 -2.738 1.00 . A A . 11 LYS HZ3 1 1 10 2595 1 1 11 LYS N N 3.130 -6.530 0.473 1.00 . A A . 11 LYS N 1 1 10 2596 1 1 11 LYS NZ N 4.577 -10.590 -1.701 1.00 . A A . 11 LYS NZ 1 1 10 2597 1 1 11 LYS O O 6.316 -5.560 1.424 1.00 . A A . 11 LYS O 1 1 10 2598 1 1 12 LYS C C 6.833 -3.102 0.716 1.00 . A A . 12 LYS C 1 1 10 2599 1 1 12 LYS CA C 5.728 -3.483 -0.278 1.00 . A A . 12 LYS CA 1 1 10 2600 1 1 12 LYS CB C 4.895 -2.258 -0.644 1.00 . A A . 12 LYS CB 1 1 10 2601 1 1 12 LYS CD C 4.848 -2.829 -3.079 1.00 . A A . 12 LYS CD 1 1 10 2602 1 1 12 LYS CE C 3.951 -2.877 -4.317 1.00 . A A . 12 LYS CE 1 1 10 2603 1 1 12 LYS CG C 3.989 -2.589 -1.834 1.00 . A A . 12 LYS CG 1 1 10 2604 1 1 12 LYS H H 3.812 -4.367 0.082 1.00 . A A . 12 LYS H 1 1 10 2605 1 1 12 LYS HA H 6.144 -3.913 -1.172 1.00 . A A . 12 LYS HA 1 1 10 2606 1 1 12 LYS HB2 H 4.289 -1.968 0.202 1.00 . A A . 12 LYS HB2 1 1 10 2607 1 1 12 LYS HB3 H 5.552 -1.449 -0.912 1.00 . A A . 12 LYS HB3 1 1 10 2608 1 1 12 LYS HD2 H 5.564 -2.027 -3.182 1.00 . A A . 12 LYS HD2 1 1 10 2609 1 1 12 LYS HD3 H 5.371 -3.769 -2.979 1.00 . A A . 12 LYS HD3 1 1 10 2610 1 1 12 LYS HE2 H 3.618 -3.891 -4.499 1.00 . A A . 12 LYS HE2 1 1 10 2611 1 1 12 LYS HE3 H 3.107 -2.218 -4.198 1.00 . A A . 12 LYS HE3 1 1 10 2612 1 1 12 LYS HG2 H 3.416 -3.477 -1.614 1.00 . A A . 12 LYS HG2 1 1 10 2613 1 1 12 LYS HG3 H 3.319 -1.763 -2.017 1.00 . A A . 12 LYS HG3 1 1 10 2614 1 1 12 LYS HZ1 H 4.233 -2.253 -6.283 1.00 . A A . 12 LYS HZ1 1 1 10 2615 1 1 12 LYS HZ2 H 5.544 -3.119 -5.636 1.00 . A A . 12 LYS HZ2 1 1 10 2616 1 1 12 LYS HZ3 H 5.271 -1.510 -5.165 1.00 . A A . 12 LYS HZ3 1 1 10 2617 1 1 12 LYS N N 4.760 -4.438 0.320 1.00 . A A . 12 LYS N 1 1 10 2618 1 1 12 LYS NZ N 4.815 -2.404 -5.434 1.00 . A A . 12 LYS NZ 1 1 10 2619 1 1 12 LYS O O 7.990 -3.328 0.401 1.00 . A A . 12 LYS O 1 1 10 2620 1 1 12 LYS OXT O 6.501 -2.592 1.773 1.00 . A A . 12 LYS OXT 1 1 11 2621 1 1 1 ARG C C 2.187 7.864 -3.055 1.00 . A A . 1 ARG C 1 1 11 2622 1 1 1 ARG CA C 2.999 7.959 -4.350 1.00 . A A . 1 ARG CA 1 1 11 2623 1 1 1 ARG CB C 4.458 8.301 -4.045 1.00 . A A . 1 ARG CB 1 1 11 2624 1 1 1 ARG CD C 5.451 6.289 -5.110 1.00 . A A . 1 ARG CD 1 1 11 2625 1 1 1 ARG CG C 5.244 7.018 -3.790 1.00 . A A . 1 ARG CG 1 1 11 2626 1 1 1 ARG CZ C 6.575 7.142 -7.077 1.00 . A A . 1 ARG CZ 1 1 11 2627 1 1 1 ARG H1 H 2.378 9.932 -4.591 1.00 . A A . 1 ARG H1 1 1 11 2628 1 1 1 ARG H2 H 1.589 8.828 -5.614 1.00 . A A . 1 ARG H2 1 1 11 2629 1 1 1 ARG H3 H 3.190 9.294 -5.938 1.00 . A A . 1 ARG H3 1 1 11 2630 1 1 1 ARG HA H 2.943 7.032 -4.897 1.00 . A A . 1 ARG HA 1 1 11 2631 1 1 1 ARG HB2 H 4.888 8.827 -4.886 1.00 . A A . 1 ARG HB2 1 1 11 2632 1 1 1 ARG HB3 H 4.504 8.922 -3.172 1.00 . A A . 1 ARG HB3 1 1 11 2633 1 1 1 ARG HD2 H 5.716 5.255 -4.932 1.00 . A A . 1 ARG HD2 1 1 11 2634 1 1 1 ARG HD3 H 4.559 6.355 -5.705 1.00 . A A . 1 ARG HD3 1 1 11 2635 1 1 1 ARG HE H 7.298 7.386 -5.244 1.00 . A A . 1 ARG HE 1 1 11 2636 1 1 1 ARG HG2 H 6.202 7.259 -3.352 1.00 . A A . 1 ARG HG2 1 1 11 2637 1 1 1 ARG HG3 H 4.688 6.387 -3.120 1.00 . A A . 1 ARG HG3 1 1 11 2638 1 1 1 ARG HH11 H 6.029 5.248 -7.426 1.00 . A A . 1 ARG HH11 1 1 11 2639 1 1 1 ARG HH12 H 6.274 6.228 -8.833 1.00 . A A . 1 ARG HH12 1 1 11 2640 1 1 1 ARG HH21 H 7.121 9.068 -7.032 1.00 . A A . 1 ARG HH21 1 1 11 2641 1 1 1 ARG HH22 H 6.893 8.390 -8.609 1.00 . A A . 1 ARG HH22 1 1 11 2642 1 1 1 ARG N N 2.502 9.089 -5.186 1.00 . A A . 1 ARG N 1 1 11 2643 1 1 1 ARG NE N 6.569 7.010 -5.778 1.00 . A A . 1 ARG NE 1 1 11 2644 1 1 1 ARG NH1 N 6.269 6.127 -7.837 1.00 . A A . 1 ARG NH1 1 1 11 2645 1 1 1 ARG NH2 N 6.887 8.290 -7.614 1.00 . A A . 1 ARG NH2 1 1 11 2646 1 1 1 ARG O O 2.654 8.220 -1.990 1.00 . A A . 1 ARG O 1 1 11 2647 1 1 2 GLN C C 0.605 6.097 -1.058 1.00 . A A . 2 GLN C 1 1 11 2648 1 1 2 GLN CA C 0.129 7.269 -1.916 1.00 . A A . 2 GLN CA 1 1 11 2649 1 1 2 GLN CB C -1.286 7.014 -2.432 1.00 . A A . 2 GLN CB 1 1 11 2650 1 1 2 GLN CD C -2.172 9.312 -2.024 1.00 . A A . 2 GLN CD 1 1 11 2651 1 1 2 GLN CG C -2.279 7.842 -1.621 1.00 . A A . 2 GLN CG 1 1 11 2652 1 1 2 GLN H H 0.618 7.108 -4.009 1.00 . A A . 2 GLN H 1 1 11 2653 1 1 2 GLN HA H 0.154 8.184 -1.350 1.00 . A A . 2 GLN HA 1 1 11 2654 1 1 2 GLN HB2 H -1.347 7.296 -3.474 1.00 . A A . 2 GLN HB2 1 1 11 2655 1 1 2 GLN HB3 H -1.524 5.968 -2.324 1.00 . A A . 2 GLN HB3 1 1 11 2656 1 1 2 GLN HE21 H -1.750 9.929 -0.182 1.00 . A A . 2 GLN HE21 1 1 11 2657 1 1 2 GLN HE22 H -1.821 11.154 -1.365 1.00 . A A . 2 GLN HE22 1 1 11 2658 1 1 2 GLN HG2 H -3.280 7.486 -1.813 1.00 . A A . 2 GLN HG2 1 1 11 2659 1 1 2 GLN HG3 H -2.054 7.741 -0.570 1.00 . A A . 2 GLN HG3 1 1 11 2660 1 1 2 GLN N N 0.973 7.388 -3.139 1.00 . A A . 2 GLN N 1 1 11 2661 1 1 2 GLN NE2 N -1.891 10.206 -1.115 1.00 . A A . 2 GLN NE2 1 1 11 2662 1 1 2 GLN O O 0.624 6.171 0.152 1.00 . A A . 2 GLN O 1 1 11 2663 1 1 2 GLN OE1 O -2.348 9.653 -3.178 1.00 . A A . 2 GLN OE1 1 1 11 2664 1 1 3 ILE C C 0.721 3.526 0.323 1.00 . A A . 3 ILE C 1 1 11 2665 1 1 3 ILE CA C 1.521 3.842 -0.956 1.00 . A A . 3 ILE CA 1 1 11 2666 1 1 3 ILE CB C 2.980 4.192 -0.681 1.00 . A A . 3 ILE CB 1 1 11 2667 1 1 3 ILE CD1 C 3.282 1.925 0.275 1.00 . A A . 3 ILE CD1 1 1 11 2668 1 1 3 ILE CG1 C 3.787 2.911 -0.778 1.00 . A A . 3 ILE CG1 1 1 11 2669 1 1 3 ILE CG2 C 3.172 4.843 0.698 1.00 . A A . 3 ILE CG2 1 1 11 2670 1 1 3 ILE H H 1.017 5.010 -2.657 1.00 . A A . 3 ILE H 1 1 11 2671 1 1 3 ILE HA H 1.494 2.983 -1.611 1.00 . A A . 3 ILE HA 1 1 11 2672 1 1 3 ILE HB H 3.311 4.873 -1.447 1.00 . A A . 3 ILE HB 1 1 11 2673 1 1 3 ILE HD11 H 2.268 1.632 0.034 1.00 . A A . 3 ILE HD11 1 1 11 2674 1 1 3 ILE HD12 H 3.295 2.401 1.246 1.00 . A A . 3 ILE HD12 1 1 11 2675 1 1 3 ILE HD13 H 3.913 1.056 0.291 1.00 . A A . 3 ILE HD13 1 1 11 2676 1 1 3 ILE HG12 H 3.642 2.496 -1.766 1.00 . A A . 3 ILE HG12 1 1 11 2677 1 1 3 ILE HG13 H 4.833 3.120 -0.612 1.00 . A A . 3 ILE HG13 1 1 11 2678 1 1 3 ILE HG21 H 3.550 4.110 1.394 1.00 . A A . 3 ILE HG21 1 1 11 2679 1 1 3 ILE HG22 H 2.230 5.225 1.057 1.00 . A A . 3 ILE HG22 1 1 11 2680 1 1 3 ILE HG23 H 3.878 5.656 0.614 1.00 . A A . 3 ILE HG23 1 1 11 2681 1 1 3 ILE N N 1.015 5.028 -1.686 1.00 . A A . 3 ILE N 1 1 11 2682 1 1 3 ILE O O 1.270 3.136 1.334 1.00 . A A . 3 ILE O 1 1 11 2683 1 1 4 LYS C C -2.287 2.151 1.156 1.00 . A A . 4 LYS C 1 1 11 2684 1 1 4 LYS CA C -1.385 3.339 1.474 1.00 . A A . 4 LYS CA 1 1 11 2685 1 1 4 LYS CB C -2.180 4.602 1.746 1.00 . A A . 4 LYS CB 1 1 11 2686 1 1 4 LYS CD C -1.590 6.402 3.364 1.00 . A A . 4 LYS CD 1 1 11 2687 1 1 4 LYS CE C -0.814 7.712 3.516 1.00 . A A . 4 LYS CE 1 1 11 2688 1 1 4 LYS CG C -1.204 5.726 2.050 1.00 . A A . 4 LYS CG 1 1 11 2689 1 1 4 LYS H H -1.007 3.964 -0.537 1.00 . A A . 4 LYS H 1 1 11 2690 1 1 4 LYS HA H -0.746 3.113 2.311 1.00 . A A . 4 LYS HA 1 1 11 2691 1 1 4 LYS HB2 H -2.778 4.856 0.882 1.00 . A A . 4 LYS HB2 1 1 11 2692 1 1 4 LYS HB3 H -2.808 4.447 2.590 1.00 . A A . 4 LYS HB3 1 1 11 2693 1 1 4 LYS HD2 H -2.651 6.608 3.365 1.00 . A A . 4 LYS HD2 1 1 11 2694 1 1 4 LYS HD3 H -1.350 5.746 4.185 1.00 . A A . 4 LYS HD3 1 1 11 2695 1 1 4 LYS HE2 H -0.661 7.938 4.563 1.00 . A A . 4 LYS HE2 1 1 11 2696 1 1 4 LYS HE3 H 0.131 7.652 3.000 1.00 . A A . 4 LYS HE3 1 1 11 2697 1 1 4 LYS HG2 H -0.214 5.304 2.138 1.00 . A A . 4 LYS HG2 1 1 11 2698 1 1 4 LYS HG3 H -1.223 6.450 1.251 1.00 . A A . 4 LYS HG3 1 1 11 2699 1 1 4 LYS HZ1 H -1.236 9.680 2.984 1.00 . A A . 4 LYS HZ1 1 1 11 2700 1 1 4 LYS HZ2 H -2.611 8.750 3.343 1.00 . A A . 4 LYS HZ2 1 1 11 2701 1 1 4 LYS HZ3 H -1.794 8.529 1.870 1.00 . A A . 4 LYS HZ3 1 1 11 2702 1 1 4 LYS N N -0.570 3.663 0.279 1.00 . A A . 4 LYS N 1 1 11 2703 1 1 4 LYS NZ N -1.679 8.746 2.881 1.00 . A A . 4 LYS NZ 1 1 11 2704 1 1 4 LYS O O -2.369 1.200 1.907 1.00 . A A . 4 LYS O 1 1 11 2705 1 1 5 ILE C C -2.841 -0.110 -0.826 1.00 . A A . 5 ILE C 1 1 11 2706 1 1 5 ILE CA C -3.771 1.022 -0.388 1.00 . A A . 5 ILE CA 1 1 11 2707 1 1 5 ILE CB C -4.608 1.525 -1.569 1.00 . A A . 5 ILE CB 1 1 11 2708 1 1 5 ILE CD1 C -5.795 2.860 0.191 1.00 . A A . 5 ILE CD1 1 1 11 2709 1 1 5 ILE CG1 C -5.236 2.881 -1.233 1.00 . A A . 5 ILE CG1 1 1 11 2710 1 1 5 ILE CG2 C -5.716 0.517 -1.875 1.00 . A A . 5 ILE CG2 1 1 11 2711 1 1 5 ILE H H -2.805 2.935 -0.589 1.00 . A A . 5 ILE H 1 1 11 2712 1 1 5 ILE HA H -4.408 0.708 0.425 1.00 . A A . 5 ILE HA 1 1 11 2713 1 1 5 ILE HB H -3.974 1.632 -2.434 1.00 . A A . 5 ILE HB 1 1 11 2714 1 1 5 ILE HD11 H -6.665 3.494 0.246 1.00 . A A . 5 ILE HD11 1 1 11 2715 1 1 5 ILE HD12 H -5.040 3.218 0.877 1.00 . A A . 5 ILE HD12 1 1 11 2716 1 1 5 ILE HD13 H -6.067 1.848 0.453 1.00 . A A . 5 ILE HD13 1 1 11 2717 1 1 5 ILE HG12 H -4.486 3.654 -1.314 1.00 . A A . 5 ILE HG12 1 1 11 2718 1 1 5 ILE HG13 H -6.035 3.083 -1.929 1.00 . A A . 5 ILE HG13 1 1 11 2719 1 1 5 ILE HG21 H -6.048 0.644 -2.894 1.00 . A A . 5 ILE HG21 1 1 11 2720 1 1 5 ILE HG22 H -6.548 0.681 -1.204 1.00 . A A . 5 ILE HG22 1 1 11 2721 1 1 5 ILE HG23 H -5.339 -0.485 -1.740 1.00 . A A . 5 ILE HG23 1 1 11 2722 1 1 5 ILE N N -2.921 2.176 0.017 1.00 . A A . 5 ILE N 1 1 11 2723 1 1 5 ILE O O -3.231 -1.253 -0.958 1.00 . A A . 5 ILE O 1 1 11 2724 1 1 6 TRP C C -0.002 -1.416 -0.205 1.00 . A A . 6 TRP C 1 1 11 2725 1 1 6 TRP CA C -0.575 -0.773 -1.441 1.00 . A A . 6 TRP CA 1 1 11 2726 1 1 6 TRP CB C 0.510 0.054 -2.122 1.00 . A A . 6 TRP CB 1 1 11 2727 1 1 6 TRP CD1 C 0.262 -0.042 -4.578 1.00 . A A . 6 TRP CD1 1 1 11 2728 1 1 6 TRP CD2 C -0.813 1.703 -3.699 1.00 . A A . 6 TRP CD2 1 1 11 2729 1 1 6 TRP CE2 C -1.035 1.757 -5.092 1.00 . A A . 6 TRP CE2 1 1 11 2730 1 1 6 TRP CE3 C -1.381 2.697 -2.892 1.00 . A A . 6 TRP CE3 1 1 11 2731 1 1 6 TRP CG C 0.009 0.547 -3.415 1.00 . A A . 6 TRP CG 1 1 11 2732 1 1 6 TRP CH2 C -2.364 3.751 -4.857 1.00 . A A . 6 TRP CH2 1 1 11 2733 1 1 6 TRP CZ2 C -1.799 2.764 -5.670 1.00 . A A . 6 TRP CZ2 1 1 11 2734 1 1 6 TRP CZ3 C -2.155 3.718 -3.468 1.00 . A A . 6 TRP CZ3 1 1 11 2735 1 1 6 TRP H H -1.328 1.156 -0.896 1.00 . A A . 6 TRP H 1 1 11 2736 1 1 6 TRP HA H -0.987 -1.503 -2.105 1.00 . A A . 6 TRP HA 1 1 11 2737 1 1 6 TRP HB2 H 0.766 0.894 -1.501 1.00 . A A . 6 TRP HB2 1 1 11 2738 1 1 6 TRP HB3 H 1.387 -0.553 -2.282 1.00 . A A . 6 TRP HB3 1 1 11 2739 1 1 6 TRP HD1 H 0.850 -0.922 -4.688 1.00 . A A . 6 TRP HD1 1 1 11 2740 1 1 6 TRP HE1 H -0.325 0.435 -6.537 1.00 . A A . 6 TRP HE1 1 1 11 2741 1 1 6 TRP HE3 H -1.215 2.675 -1.821 1.00 . A A . 6 TRP HE3 1 1 11 2742 1 1 6 TRP HH2 H -2.958 4.536 -5.296 1.00 . A A . 6 TRP HH2 1 1 11 2743 1 1 6 TRP HZ2 H -1.955 2.779 -6.737 1.00 . A A . 6 TRP HZ2 1 1 11 2744 1 1 6 TRP HZ3 H -2.593 4.480 -2.841 1.00 . A A . 6 TRP HZ3 1 1 11 2745 1 1 6 TRP N N -1.596 0.227 -1.031 1.00 . A A . 6 TRP N 1 1 11 2746 1 1 6 TRP NE1 N -0.355 0.664 -5.588 1.00 . A A . 6 TRP NE1 1 1 11 2747 1 1 6 TRP O O -0.021 -2.617 -0.027 1.00 . A A . 6 TRP O 1 1 11 2748 1 1 7 PHE C C 0.044 -2.008 2.623 1.00 . A A . 7 PHE C 1 1 11 2749 1 1 7 PHE CA C 1.057 -1.082 1.944 1.00 . A A . 7 PHE CA 1 1 11 2750 1 1 7 PHE CB C 1.267 0.181 2.787 1.00 . A A . 7 PHE CB 1 1 11 2751 1 1 7 PHE CD1 C 2.651 -1.264 4.336 1.00 . A A . 7 PHE CD1 1 1 11 2752 1 1 7 PHE CD2 C 1.329 0.536 5.283 1.00 . A A . 7 PHE CD2 1 1 11 2753 1 1 7 PHE CE1 C 3.104 -1.604 5.617 1.00 . A A . 7 PHE CE1 1 1 11 2754 1 1 7 PHE CE2 C 1.784 0.196 6.562 1.00 . A A . 7 PHE CE2 1 1 11 2755 1 1 7 PHE CG C 1.762 -0.193 4.169 1.00 . A A . 7 PHE CG 1 1 11 2756 1 1 7 PHE CZ C 2.672 -0.874 6.730 1.00 . A A . 7 PHE CZ 1 1 11 2757 1 1 7 PHE H H 0.452 0.371 0.459 1.00 . A A . 7 PHE H 1 1 11 2758 1 1 7 PHE HA H 1.995 -1.588 1.781 1.00 . A A . 7 PHE HA 1 1 11 2759 1 1 7 PHE HB2 H 1.989 0.822 2.305 1.00 . A A . 7 PHE HB2 1 1 11 2760 1 1 7 PHE HB3 H 0.329 0.707 2.877 1.00 . A A . 7 PHE HB3 1 1 11 2761 1 1 7 PHE HD1 H 2.983 -1.829 3.478 1.00 . A A . 7 PHE HD1 1 1 11 2762 1 1 7 PHE HD2 H 0.643 1.360 5.154 1.00 . A A . 7 PHE HD2 1 1 11 2763 1 1 7 PHE HE1 H 3.789 -2.430 5.745 1.00 . A A . 7 PHE HE1 1 1 11 2764 1 1 7 PHE HE2 H 1.450 0.759 7.421 1.00 . A A . 7 PHE HE2 1 1 11 2765 1 1 7 PHE HZ H 3.023 -1.135 7.716 1.00 . A A . 7 PHE HZ 1 1 11 2766 1 1 7 PHE N N 0.484 -0.589 0.659 1.00 . A A . 7 PHE N 1 1 11 2767 1 1 7 PHE O O 0.378 -2.806 3.476 1.00 . A A . 7 PHE O 1 1 11 2768 1 1 8 ARG C C -2.597 -3.912 1.959 1.00 . A A . 8 ARG C 1 1 11 2769 1 1 8 ARG CA C -2.265 -2.705 2.846 1.00 . A A . 8 ARG CA 1 1 11 2770 1 1 8 ARG CB C -3.429 -1.736 2.893 1.00 . A A . 8 ARG CB 1 1 11 2771 1 1 8 ARG CD C -3.569 -1.820 5.347 1.00 . A A . 8 ARG CD 1 1 11 2772 1 1 8 ARG CG C -4.338 -2.091 4.057 1.00 . A A . 8 ARG CG 1 1 11 2773 1 1 8 ARG CZ C -4.618 -1.009 7.373 1.00 . A A . 8 ARG CZ 1 1 11 2774 1 1 8 ARG H H -1.442 -1.218 1.572 1.00 . A A . 8 ARG H 1 1 11 2775 1 1 8 ARG HA H -2.003 -3.010 3.841 1.00 . A A . 8 ARG HA 1 1 11 2776 1 1 8 ARG HB2 H -3.039 -0.740 3.040 1.00 . A A . 8 ARG HB2 1 1 11 2777 1 1 8 ARG HB3 H -3.970 -1.778 1.966 1.00 . A A . 8 ARG HB3 1 1 11 2778 1 1 8 ARG HD2 H -3.451 -2.733 5.912 1.00 . A A . 8 ARG HD2 1 1 11 2779 1 1 8 ARG HD3 H -2.602 -1.390 5.110 1.00 . A A . 8 ARG HD3 1 1 11 2780 1 1 8 ARG HE H -4.779 -0.062 5.635 1.00 . A A . 8 ARG HE 1 1 11 2781 1 1 8 ARG HG2 H -5.231 -1.481 4.023 1.00 . A A . 8 ARG HG2 1 1 11 2782 1 1 8 ARG HG3 H -4.605 -3.135 4.007 1.00 . A A . 8 ARG HG3 1 1 11 2783 1 1 8 ARG HH11 H -5.644 -2.710 7.124 1.00 . A A . 8 ARG HH11 1 1 11 2784 1 1 8 ARG HH12 H -5.463 -2.177 8.762 1.00 . A A . 8 ARG HH12 1 1 11 2785 1 1 8 ARG HH21 H -3.646 0.653 7.921 1.00 . A A . 8 ARG HH21 1 1 11 2786 1 1 8 ARG HH22 H -4.333 -0.273 9.214 1.00 . A A . 8 ARG HH22 1 1 11 2787 1 1 8 ARG N N -1.200 -1.881 2.248 1.00 . A A . 8 ARG N 1 1 11 2788 1 1 8 ARG NE N -4.398 -0.837 6.098 1.00 . A A . 8 ARG NE 1 1 11 2789 1 1 8 ARG NH1 N -5.293 -2.046 7.786 1.00 . A A . 8 ARG NH1 1 1 11 2790 1 1 8 ARG NH2 N -4.163 -0.142 8.236 1.00 . A A . 8 ARG NH2 1 1 11 2791 1 1 8 ARG O O -3.492 -4.679 2.256 1.00 . A A . 8 ARG O 1 1 11 2792 1 1 9 LYS C C -1.040 -6.261 0.036 1.00 . A A . 9 LYS C 1 1 11 2793 1 1 9 LYS CA C -2.177 -5.238 -0.027 1.00 . A A . 9 LYS CA 1 1 11 2794 1 1 9 LYS CB C -2.274 -4.629 -1.428 1.00 . A A . 9 LYS CB 1 1 11 2795 1 1 9 LYS CD C -4.592 -5.469 -1.824 1.00 . A A . 9 LYS CD 1 1 11 2796 1 1 9 LYS CE C -5.906 -5.112 -2.521 1.00 . A A . 9 LYS CE 1 1 11 2797 1 1 9 LYS CG C -3.720 -4.219 -1.707 1.00 . A A . 9 LYS CG 1 1 11 2798 1 1 9 LYS H H -1.176 -3.455 0.645 1.00 . A A . 9 LYS H 1 1 11 2799 1 1 9 LYS HA H -3.115 -5.700 0.238 1.00 . A A . 9 LYS HA 1 1 11 2800 1 1 9 LYS HB2 H -1.635 -3.759 -1.486 1.00 . A A . 9 LYS HB2 1 1 11 2801 1 1 9 LYS HB3 H -1.961 -5.360 -2.161 1.00 . A A . 9 LYS HB3 1 1 11 2802 1 1 9 LYS HD2 H -4.069 -6.220 -2.401 1.00 . A A . 9 LYS HD2 1 1 11 2803 1 1 9 LYS HD3 H -4.802 -5.855 -0.838 1.00 . A A . 9 LYS HD3 1 1 11 2804 1 1 9 LYS HE2 H -6.372 -4.266 -2.033 1.00 . A A . 9 LYS HE2 1 1 11 2805 1 1 9 LYS HE3 H -5.734 -4.899 -3.564 1.00 . A A . 9 LYS HE3 1 1 11 2806 1 1 9 LYS HG2 H -4.080 -3.601 -0.897 1.00 . A A . 9 LYS HG2 1 1 11 2807 1 1 9 LYS HG3 H -3.765 -3.663 -2.631 1.00 . A A . 9 LYS HG3 1 1 11 2808 1 1 9 LYS HZ1 H -7.713 -6.124 -2.735 1.00 . A A . 9 LYS HZ1 1 1 11 2809 1 1 9 LYS HZ2 H -6.808 -6.601 -1.379 1.00 . A A . 9 LYS HZ2 1 1 11 2810 1 1 9 LYS HZ3 H -6.343 -7.105 -2.934 1.00 . A A . 9 LYS HZ3 1 1 11 2811 1 1 9 LYS N N -1.891 -4.085 0.873 1.00 . A A . 9 LYS N 1 1 11 2812 1 1 9 LYS NZ N -6.757 -6.327 -2.381 1.00 . A A . 9 LYS NZ 1 1 11 2813 1 1 9 LYS O O -1.168 -7.306 0.644 1.00 . A A . 9 LYS O 1 1 11 2814 1 1 10 TRP C C 2.166 -6.570 0.567 1.00 . A A . 10 TRP C 1 1 11 2815 1 1 10 TRP CA C 1.206 -6.919 -0.585 1.00 . A A . 10 TRP CA 1 1 11 2816 1 1 10 TRP CB C 1.877 -6.701 -1.947 1.00 . A A . 10 TRP CB 1 1 11 2817 1 1 10 TRP CD1 C 0.978 -5.676 -4.054 1.00 . A A . 10 TRP CD1 1 1 11 2818 1 1 10 TRP CD2 C -0.427 -7.194 -3.191 1.00 . A A . 10 TRP CD2 1 1 11 2819 1 1 10 TRP CE2 C -1.040 -6.703 -4.361 1.00 . A A . 10 TRP CE2 1 1 11 2820 1 1 10 TRP CE3 C -1.104 -8.166 -2.454 1.00 . A A . 10 TRP CE3 1 1 11 2821 1 1 10 TRP CG C 0.856 -6.530 -3.023 1.00 . A A . 10 TRP CG 1 1 11 2822 1 1 10 TRP CH2 C -2.952 -8.131 -4.034 1.00 . A A . 10 TRP CH2 1 1 11 2823 1 1 10 TRP CZ2 C -2.288 -7.161 -4.784 1.00 . A A . 10 TRP CZ2 1 1 11 2824 1 1 10 TRP CZ3 C -2.361 -8.634 -2.867 1.00 . A A . 10 TRP CZ3 1 1 11 2825 1 1 10 TRP H H 0.153 -5.132 -1.086 1.00 . A A . 10 TRP H 1 1 11 2826 1 1 10 TRP HA H 0.859 -7.935 -0.499 1.00 . A A . 10 TRP HA 1 1 11 2827 1 1 10 TRP HB2 H 2.475 -5.805 -1.904 1.00 . A A . 10 TRP HB2 1 1 11 2828 1 1 10 TRP HB3 H 2.507 -7.543 -2.179 1.00 . A A . 10 TRP HB3 1 1 11 2829 1 1 10 TRP HD1 H 1.821 -5.019 -4.228 1.00 . A A . 10 TRP HD1 1 1 11 2830 1 1 10 TRP HE1 H -0.308 -5.276 -5.661 1.00 . A A . 10 TRP HE1 1 1 11 2831 1 1 10 TRP HE3 H -0.655 -8.548 -1.562 1.00 . A A . 10 TRP HE3 1 1 11 2832 1 1 10 TRP HH2 H -3.919 -8.494 -4.351 1.00 . A A . 10 TRP HH2 1 1 11 2833 1 1 10 TRP HZ2 H -2.737 -6.766 -5.684 1.00 . A A . 10 TRP HZ2 1 1 11 2834 1 1 10 TRP HZ3 H -2.874 -9.387 -2.286 1.00 . A A . 10 TRP HZ3 1 1 11 2835 1 1 10 TRP N N 0.067 -5.972 -0.594 1.00 . A A . 10 TRP N 1 1 11 2836 1 1 10 TRP NE1 N -0.146 -5.780 -4.851 1.00 . A A . 10 TRP NE1 1 1 11 2837 1 1 10 TRP O O 1.802 -6.604 1.726 1.00 . A A . 10 TRP O 1 1 11 2838 1 1 11 LYS C C 5.528 -5.164 0.545 1.00 . A A . 11 LYS C 1 1 11 2839 1 1 11 LYS CA C 4.386 -5.853 1.276 1.00 . A A . 11 LYS CA 1 1 11 2840 1 1 11 LYS CB C 4.858 -7.161 1.913 1.00 . A A . 11 LYS CB 1 1 11 2841 1 1 11 LYS CD C 3.937 -9.103 0.666 1.00 . A A . 11 LYS CD 1 1 11 2842 1 1 11 LYS CE C 3.599 -9.267 -0.817 1.00 . A A . 11 LYS CE 1 1 11 2843 1 1 11 LYS CG C 5.152 -8.191 0.823 1.00 . A A . 11 LYS CG 1 1 11 2844 1 1 11 LYS H H 3.644 -6.191 -0.694 1.00 . A A . 11 LYS H 1 1 11 2845 1 1 11 LYS HA H 3.950 -5.210 2.015 1.00 . A A . 11 LYS HA 1 1 11 2846 1 1 11 LYS HB2 H 5.755 -6.978 2.487 1.00 . A A . 11 LYS HB2 1 1 11 2847 1 1 11 LYS HB3 H 4.085 -7.539 2.562 1.00 . A A . 11 LYS HB3 1 1 11 2848 1 1 11 LYS HD2 H 4.156 -10.071 1.096 1.00 . A A . 11 LYS HD2 1 1 11 2849 1 1 11 LYS HD3 H 3.096 -8.662 1.181 1.00 . A A . 11 LYS HD3 1 1 11 2850 1 1 11 LYS HE2 H 2.529 -9.219 -0.965 1.00 . A A . 11 LYS HE2 1 1 11 2851 1 1 11 LYS HE3 H 4.095 -8.509 -1.404 1.00 . A A . 11 LYS HE3 1 1 11 2852 1 1 11 LYS HG2 H 5.349 -7.680 -0.108 1.00 . A A . 11 LYS HG2 1 1 11 2853 1 1 11 LYS HG3 H 6.013 -8.781 1.103 1.00 . A A . 11 LYS HG3 1 1 11 2854 1 1 11 LYS HZ1 H 5.136 -10.659 -0.993 1.00 . A A . 11 LYS HZ1 1 1 11 2855 1 1 11 LYS HZ2 H 3.944 -10.788 -2.196 1.00 . A A . 11 LYS HZ2 1 1 11 2856 1 1 11 LYS HZ3 H 3.627 -11.339 -0.620 1.00 . A A . 11 LYS HZ3 1 1 11 2857 1 1 11 LYS N N 3.382 -6.223 0.246 1.00 . A A . 11 LYS N 1 1 11 2858 1 1 11 LYS NZ N 4.116 -10.615 -1.184 1.00 . A A . 11 LYS NZ 1 1 11 2859 1 1 11 LYS O O 6.688 -5.472 0.735 1.00 . A A . 11 LYS O 1 1 11 2860 1 1 12 LYS C C 7.514 -3.325 -0.415 1.00 . A A . 12 LYS C 1 1 11 2861 1 1 12 LYS CA C 6.183 -3.541 -1.162 1.00 . A A . 12 LYS CA 1 1 11 2862 1 1 12 LYS CB C 5.509 -2.209 -1.540 1.00 . A A . 12 LYS CB 1 1 11 2863 1 1 12 LYS CD C 5.005 -1.994 0.943 1.00 . A A . 12 LYS CD 1 1 11 2864 1 1 12 LYS CE C 4.941 -1.002 2.108 1.00 . A A . 12 LYS CE 1 1 11 2865 1 1 12 LYS CG C 5.390 -1.247 -0.340 1.00 . A A . 12 LYS CG 1 1 11 2866 1 1 12 LYS H H 4.224 -4.071 -0.473 1.00 . A A . 12 LYS H 1 1 11 2867 1 1 12 LYS HA H 6.353 -4.113 -2.059 1.00 . A A . 12 LYS HA 1 1 11 2868 1 1 12 LYS HB2 H 6.091 -1.730 -2.312 1.00 . A A . 12 LYS HB2 1 1 11 2869 1 1 12 LYS HB3 H 4.521 -2.414 -1.925 1.00 . A A . 12 LYS HB3 1 1 11 2870 1 1 12 LYS HD2 H 4.040 -2.461 0.813 1.00 . A A . 12 LYS HD2 1 1 11 2871 1 1 12 LYS HD3 H 5.744 -2.749 1.160 1.00 . A A . 12 LYS HD3 1 1 11 2872 1 1 12 LYS HE2 H 5.633 -0.187 1.945 1.00 . A A . 12 LYS HE2 1 1 11 2873 1 1 12 LYS HE3 H 3.936 -0.626 2.227 1.00 . A A . 12 LYS HE3 1 1 11 2874 1 1 12 LYS HG2 H 6.331 -0.741 -0.190 1.00 . A A . 12 LYS HG2 1 1 11 2875 1 1 12 LYS HG3 H 4.629 -0.517 -0.559 1.00 . A A . 12 LYS HG3 1 1 11 2876 1 1 12 LYS HZ1 H 6.348 -2.021 3.254 1.00 . A A . 12 LYS HZ1 1 1 11 2877 1 1 12 LYS HZ2 H 4.782 -2.673 3.340 1.00 . A A . 12 LYS HZ2 1 1 11 2878 1 1 12 LYS HZ3 H 5.153 -1.235 4.166 1.00 . A A . 12 LYS HZ3 1 1 11 2879 1 1 12 LYS N N 5.176 -4.260 -0.334 1.00 . A A . 12 LYS N 1 1 11 2880 1 1 12 LYS NZ N 5.335 -1.792 3.307 1.00 . A A . 12 LYS NZ 1 1 11 2881 1 1 12 LYS O O 7.651 -2.321 0.261 1.00 . A A . 12 LYS O 1 1 11 2882 1 1 12 LYS OXT O 8.377 -4.179 -0.540 1.00 . A A . 12 LYS OXT 1 1 12 2883 1 1 1 ARG C C 1.312 8.996 -3.002 1.00 . A A . 1 ARG C 1 1 12 2884 1 1 1 ARG CA C 2.057 9.407 -4.275 1.00 . A A . 1 ARG CA 1 1 12 2885 1 1 1 ARG CB C 1.101 10.074 -5.265 1.00 . A A . 1 ARG CB 1 1 12 2886 1 1 1 ARG CD C 1.582 12.510 -4.981 1.00 . A A . 1 ARG CD 1 1 12 2887 1 1 1 ARG CG C 1.770 11.297 -5.890 1.00 . A A . 1 ARG CG 1 1 12 2888 1 1 1 ARG CZ C 2.388 12.826 -2.720 1.00 . A A . 1 ARG CZ 1 1 12 2889 1 1 1 ARG H1 H 3.194 8.490 -5.762 1.00 . A A . 1 ARG H1 1 1 12 2890 1 1 1 ARG H2 H 1.764 7.661 -5.372 1.00 . A A . 1 ARG H2 1 1 12 2891 1 1 1 ARG H3 H 3.097 7.601 -4.321 1.00 . A A . 1 ARG H3 1 1 12 2892 1 1 1 ARG HA H 2.870 10.073 -4.038 1.00 . A A . 1 ARG HA 1 1 12 2893 1 1 1 ARG HB2 H 0.840 9.371 -6.041 1.00 . A A . 1 ARG HB2 1 1 12 2894 1 1 1 ARG HB3 H 0.208 10.387 -4.751 1.00 . A A . 1 ARG HB3 1 1 12 2895 1 1 1 ARG HD2 H 1.733 13.423 -5.541 1.00 . A A . 1 ARG HD2 1 1 12 2896 1 1 1 ARG HD3 H 0.599 12.495 -4.544 1.00 . A A . 1 ARG HD3 1 1 12 2897 1 1 1 ARG HE H 3.474 11.942 -4.126 1.00 . A A . 1 ARG HE 1 1 12 2898 1 1 1 ARG HG2 H 2.824 11.105 -6.030 1.00 . A A . 1 ARG HG2 1 1 12 2899 1 1 1 ARG HG3 H 1.308 11.497 -6.839 1.00 . A A . 1 ARG HG3 1 1 12 2900 1 1 1 ARG HH11 H 1.047 11.409 -2.274 1.00 . A A . 1 ARG HH11 1 1 12 2901 1 1 1 ARG HH12 H 1.351 12.569 -1.026 1.00 . A A . 1 ARG HH12 1 1 12 2902 1 1 1 ARG HH21 H 3.674 14.351 -2.884 1.00 . A A . 1 ARG HH21 1 1 12 2903 1 1 1 ARG HH22 H 2.840 14.235 -1.371 1.00 . A A . 1 ARG HH22 1 1 12 2904 1 1 1 ARG N N 2.567 8.199 -4.986 1.00 . A A . 1 ARG N 1 1 12 2905 1 1 1 ARG NE N 2.619 12.371 -3.921 1.00 . A A . 1 ARG NE 1 1 12 2906 1 1 1 ARG NH1 N 1.528 12.221 -1.946 1.00 . A A . 1 ARG NH1 1 1 12 2907 1 1 1 ARG NH2 N 3.017 13.887 -2.291 1.00 . A A . 1 ARG NH2 1 1 12 2908 1 1 1 ARG O O 1.465 9.602 -1.960 1.00 . A A . 1 ARG O 1 1 12 2909 1 1 2 GLN C C 0.400 6.276 -1.276 1.00 . A A . 2 GLN C 1 1 12 2910 1 1 2 GLN CA C -0.250 7.519 -1.876 1.00 . A A . 2 GLN CA 1 1 12 2911 1 1 2 GLN CB C -1.655 7.203 -2.383 1.00 . A A . 2 GLN CB 1 1 12 2912 1 1 2 GLN CD C -2.673 9.032 -1.016 1.00 . A A . 2 GLN CD 1 1 12 2913 1 1 2 GLN CG C -2.674 7.528 -1.289 1.00 . A A . 2 GLN CG 1 1 12 2914 1 1 2 GLN H H 0.397 7.498 -3.931 1.00 . A A . 2 GLN H 1 1 12 2915 1 1 2 GLN HA H -0.293 8.302 -1.143 1.00 . A A . 2 GLN HA 1 1 12 2916 1 1 2 GLN HB2 H -1.864 7.802 -3.260 1.00 . A A . 2 GLN HB2 1 1 12 2917 1 1 2 GLN HB3 H -1.719 6.156 -2.635 1.00 . A A . 2 GLN HB3 1 1 12 2918 1 1 2 GLN HE21 H -2.296 8.818 0.924 1.00 . A A . 2 GLN HE21 1 1 12 2919 1 1 2 GLN HE22 H -2.453 10.427 0.382 1.00 . A A . 2 GLN HE22 1 1 12 2920 1 1 2 GLN HG2 H -3.656 7.221 -1.614 1.00 . A A . 2 GLN HG2 1 1 12 2921 1 1 2 GLN HG3 H -2.410 7.000 -0.383 1.00 . A A . 2 GLN HG3 1 1 12 2922 1 1 2 GLN N N 0.506 7.970 -3.080 1.00 . A A . 2 GLN N 1 1 12 2923 1 1 2 GLN NE2 N -2.456 9.462 0.197 1.00 . A A . 2 GLN NE2 1 1 12 2924 1 1 2 GLN O O 0.714 6.238 -0.106 1.00 . A A . 2 GLN O 1 1 12 2925 1 1 2 GLN OE1 O -2.873 9.825 -1.915 1.00 . A A . 2 GLN OE1 1 1 12 2926 1 1 3 ILE C C 0.839 3.623 -0.182 1.00 . A A . 3 ILE C 1 1 12 2927 1 1 3 ILE CA C 1.281 4.031 -1.602 1.00 . A A . 3 ILE CA 1 1 12 2928 1 1 3 ILE CB C 2.765 4.364 -1.694 1.00 . A A . 3 ILE CB 1 1 12 2929 1 1 3 ILE CD1 C 3.266 2.032 -1.010 1.00 . A A . 3 ILE CD1 1 1 12 2930 1 1 3 ILE CG1 C 3.498 3.094 -2.083 1.00 . A A . 3 ILE CG1 1 1 12 2931 1 1 3 ILE CG2 C 3.315 4.922 -0.373 1.00 . A A . 3 ILE CG2 1 1 12 2932 1 1 3 ILE H H 0.395 5.343 -3.020 1.00 . A A . 3 ILE H 1 1 12 2933 1 1 3 ILE HA H 1.065 3.226 -2.289 1.00 . A A . 3 ILE HA 1 1 12 2934 1 1 3 ILE HB H 2.898 5.096 -2.471 1.00 . A A . 3 ILE HB 1 1 12 2935 1 1 3 ILE HD11 H 3.554 2.427 -0.046 1.00 . A A . 3 ILE HD11 1 1 12 2936 1 1 3 ILE HD12 H 3.851 1.158 -1.232 1.00 . A A . 3 ILE HD12 1 1 12 2937 1 1 3 ILE HD13 H 2.217 1.769 -0.989 1.00 . A A . 3 ILE HD13 1 1 12 2938 1 1 3 ILE HG12 H 3.097 2.751 -3.027 1.00 . A A . 3 ILE HG12 1 1 12 2939 1 1 3 ILE HG13 H 4.556 3.294 -2.179 1.00 . A A . 3 ILE HG13 1 1 12 2940 1 1 3 ILE HG21 H 3.833 4.141 0.162 1.00 . A A . 3 ILE HG21 1 1 12 2941 1 1 3 ILE HG22 H 2.503 5.294 0.232 1.00 . A A . 3 ILE HG22 1 1 12 2942 1 1 3 ILE HG23 H 4.002 5.728 -0.583 1.00 . A A . 3 ILE HG23 1 1 12 2943 1 1 3 ILE N N 0.628 5.273 -2.080 1.00 . A A . 3 ILE N 1 1 12 2944 1 1 3 ILE O O 1.625 3.157 0.618 1.00 . A A . 3 ILE O 1 1 12 2945 1 1 4 LYS C C -1.875 2.203 1.320 1.00 . A A . 4 LYS C 1 1 12 2946 1 1 4 LYS CA C -0.893 3.359 1.471 1.00 . A A . 4 LYS CA 1 1 12 2947 1 1 4 LYS CB C -1.555 4.602 2.037 1.00 . A A . 4 LYS CB 1 1 12 2948 1 1 4 LYS CD C -0.538 6.208 3.651 1.00 . A A . 4 LYS CD 1 1 12 2949 1 1 4 LYS CE C 0.681 7.099 3.904 1.00 . A A . 4 LYS CE 1 1 12 2950 1 1 4 LYS CG C -0.490 5.671 2.220 1.00 . A A . 4 LYS CG 1 1 12 2951 1 1 4 LYS H H -1.045 4.132 -0.520 1.00 . A A . 4 LYS H 1 1 12 2952 1 1 4 LYS HA H -0.060 3.065 2.089 1.00 . A A . 4 LYS HA 1 1 12 2953 1 1 4 LYS HB2 H -2.320 4.954 1.361 1.00 . A A . 4 LYS HB2 1 1 12 2954 1 1 4 LYS HB3 H -1.984 4.371 2.982 1.00 . A A . 4 LYS HB3 1 1 12 2955 1 1 4 LYS HD2 H -1.442 6.783 3.791 1.00 . A A . 4 LYS HD2 1 1 12 2956 1 1 4 LYS HD3 H -0.527 5.380 4.342 1.00 . A A . 4 LYS HD3 1 1 12 2957 1 1 4 LYS HE2 H 1.536 6.494 4.175 1.00 . A A . 4 LYS HE2 1 1 12 2958 1 1 4 LYS HE3 H 0.899 7.694 3.032 1.00 . A A . 4 LYS HE3 1 1 12 2959 1 1 4 LYS HG2 H 0.475 5.228 2.031 1.00 . A A . 4 LYS HG2 1 1 12 2960 1 1 4 LYS HG3 H -0.664 6.479 1.526 1.00 . A A . 4 LYS HG3 1 1 12 2961 1 1 4 LYS HZ1 H 0.985 8.741 5.145 1.00 . A A . 4 LYS HZ1 1 1 12 2962 1 1 4 LYS HZ2 H 0.242 7.420 5.913 1.00 . A A . 4 LYS HZ2 1 1 12 2963 1 1 4 LYS HZ3 H -0.649 8.397 4.844 1.00 . A A . 4 LYS HZ3 1 1 12 2964 1 1 4 LYS N N -0.415 3.768 0.128 1.00 . A A . 4 LYS N 1 1 12 2965 1 1 4 LYS NZ N 0.285 7.981 5.037 1.00 . A A . 4 LYS NZ 1 1 12 2966 1 1 4 LYS O O -1.788 1.205 2.008 1.00 . A A . 4 LYS O 1 1 12 2967 1 1 5 ILE C C -2.948 0.072 -0.570 1.00 . A A . 5 ILE C 1 1 12 2968 1 1 5 ILE CA C -3.723 1.185 0.136 1.00 . A A . 5 ILE CA 1 1 12 2969 1 1 5 ILE CB C -4.808 1.764 -0.779 1.00 . A A . 5 ILE CB 1 1 12 2970 1 1 5 ILE CD1 C -5.476 3.027 1.285 1.00 . A A . 5 ILE CD1 1 1 12 2971 1 1 5 ILE CG1 C -5.300 3.109 -0.234 1.00 . A A . 5 ILE CG1 1 1 12 2972 1 1 5 ILE CG2 C -5.985 0.789 -0.854 1.00 . A A . 5 ILE CG2 1 1 12 2973 1 1 5 ILE H H -2.795 3.100 -0.189 1.00 . A A . 5 ILE H 1 1 12 2974 1 1 5 ILE HA H -4.150 0.833 1.062 1.00 . A A . 5 ILE HA 1 1 12 2975 1 1 5 ILE HB H -4.400 1.909 -1.767 1.00 . A A . 5 ILE HB 1 1 12 2976 1 1 5 ILE HD11 H -5.784 2.029 1.557 1.00 . A A . 5 ILE HD11 1 1 12 2977 1 1 5 ILE HD12 H -6.226 3.735 1.599 1.00 . A A . 5 ILE HD12 1 1 12 2978 1 1 5 ILE HD13 H -4.537 3.259 1.767 1.00 . A A . 5 ILE HD13 1 1 12 2979 1 1 5 ILE HG12 H -4.579 3.878 -0.471 1.00 . A A . 5 ILE HG12 1 1 12 2980 1 1 5 ILE HG13 H -6.244 3.352 -0.691 1.00 . A A . 5 ILE HG13 1 1 12 2981 1 1 5 ILE HG21 H -6.246 0.464 0.142 1.00 . A A . 5 ILE HG21 1 1 12 2982 1 1 5 ILE HG22 H -5.705 -0.067 -1.451 1.00 . A A . 5 ILE HG22 1 1 12 2983 1 1 5 ILE HG23 H -6.831 1.282 -1.306 1.00 . A A . 5 ILE HG23 1 1 12 2984 1 1 5 ILE N N -2.774 2.306 0.382 1.00 . A A . 5 ILE N 1 1 12 2985 1 1 5 ILE O O -3.370 -1.065 -0.642 1.00 . A A . 5 ILE O 1 1 12 2986 1 1 6 TRP C C -0.069 -1.263 -0.732 1.00 . A A . 6 TRP C 1 1 12 2987 1 1 6 TRP CA C -0.915 -0.562 -1.763 1.00 . A A . 6 TRP CA 1 1 12 2988 1 1 6 TRP CB C -0.016 0.297 -2.646 1.00 . A A . 6 TRP CB 1 1 12 2989 1 1 6 TRP CD1 C -0.846 0.312 -4.975 1.00 . A A . 6 TRP CD1 1 1 12 2990 1 1 6 TRP CD2 C -1.653 2.022 -3.790 1.00 . A A . 6 TRP CD2 1 1 12 2991 1 1 6 TRP CE2 C -2.200 2.141 -5.086 1.00 . A A . 6 TRP CE2 1 1 12 2992 1 1 6 TRP CE3 C -1.996 2.981 -2.829 1.00 . A A . 6 TRP CE3 1 1 12 2993 1 1 6 TRP CG C -0.805 0.849 -3.760 1.00 . A A . 6 TRP CG 1 1 12 2994 1 1 6 TRP CH2 C -3.400 4.130 -4.456 1.00 . A A . 6 TRP CH2 1 1 12 2995 1 1 6 TRP CZ2 C -3.062 3.178 -5.422 1.00 . A A . 6 TRP CZ2 1 1 12 2996 1 1 6 TRP CZ3 C -2.867 4.033 -3.159 1.00 . A A . 6 TRP CZ3 1 1 12 2997 1 1 6 TRP H H -1.488 1.341 -0.971 1.00 . A A . 6 TRP H 1 1 12 2998 1 1 6 TRP HA H -1.486 -1.259 -2.341 1.00 . A A . 6 TRP HA 1 1 12 2999 1 1 6 TRP HB2 H 0.388 1.106 -2.069 1.00 . A A . 6 TRP HB2 1 1 12 3000 1 1 6 TRP HB3 H 0.791 -0.301 -3.038 1.00 . A A . 6 TRP HB3 1 1 12 3001 1 1 6 TRP HD1 H -0.317 -0.565 -5.262 1.00 . A A . 6 TRP HD1 1 1 12 3002 1 1 6 TRP HE1 H -1.877 0.881 -6.714 1.00 . A A . 6 TRP HE1 1 1 12 3003 1 1 6 TRP HE3 H -1.582 2.909 -1.831 1.00 . A A . 6 TRP HE3 1 1 12 3004 1 1 6 TRP HH2 H -4.069 4.939 -4.707 1.00 . A A . 6 TRP HH2 1 1 12 3005 1 1 6 TRP HZ2 H -3.466 3.243 -6.419 1.00 . A A . 6 TRP HZ2 1 1 12 3006 1 1 6 TRP HZ3 H -3.128 4.770 -2.414 1.00 . A A . 6 TRP HZ3 1 1 12 3007 1 1 6 TRP N N -1.792 0.418 -1.070 1.00 . A A . 6 TRP N 1 1 12 3008 1 1 6 TRP NE1 N -1.676 1.067 -5.776 1.00 . A A . 6 TRP NE1 1 1 12 3009 1 1 6 TRP O O -0.067 -2.470 -0.597 1.00 . A A . 6 TRP O 1 1 12 3010 1 1 7 PHE C C 0.663 -1.954 1.985 1.00 . A A . 7 PHE C 1 1 12 3011 1 1 7 PHE CA C 1.496 -1.022 1.100 1.00 . A A . 7 PHE CA 1 1 12 3012 1 1 7 PHE CB C 1.940 0.211 1.896 1.00 . A A . 7 PHE CB 1 1 12 3013 1 1 7 PHE CD1 C 3.642 -1.237 3.078 1.00 . A A . 7 PHE CD1 1 1 12 3014 1 1 7 PHE CD2 C 2.413 0.411 4.365 1.00 . A A . 7 PHE CD2 1 1 12 3015 1 1 7 PHE CE1 C 4.328 -1.627 4.234 1.00 . A A . 7 PHE CE1 1 1 12 3016 1 1 7 PHE CE2 C 3.100 0.020 5.521 1.00 . A A . 7 PHE CE2 1 1 12 3017 1 1 7 PHE CG C 2.684 -0.217 3.144 1.00 . A A . 7 PHE CG 1 1 12 3018 1 1 7 PHE CZ C 4.056 -0.999 5.455 1.00 . A A . 7 PHE CZ 1 1 12 3019 1 1 7 PHE H H 0.569 0.493 -0.137 1.00 . A A . 7 PHE H 1 1 12 3020 1 1 7 PHE HA H 2.351 -1.536 0.692 1.00 . A A . 7 PHE HA 1 1 12 3021 1 1 7 PHE HB2 H 2.583 0.824 1.285 1.00 . A A . 7 PHE HB2 1 1 12 3022 1 1 7 PHE HB3 H 1.069 0.782 2.181 1.00 . A A . 7 PHE HB3 1 1 12 3023 1 1 7 PHE HD1 H 3.849 -1.722 2.136 1.00 . A A . 7 PHE HD1 1 1 12 3024 1 1 7 PHE HD2 H 1.674 1.197 4.416 1.00 . A A . 7 PHE HD2 1 1 12 3025 1 1 7 PHE HE1 H 5.066 -2.414 4.183 1.00 . A A . 7 PHE HE1 1 1 12 3026 1 1 7 PHE HE2 H 2.890 0.505 6.463 1.00 . A A . 7 PHE HE2 1 1 12 3027 1 1 7 PHE HZ H 4.586 -1.300 6.347 1.00 . A A . 7 PHE HZ 1 1 12 3028 1 1 7 PHE N N 0.632 -0.476 0.014 1.00 . A A . 7 PHE N 1 1 12 3029 1 1 7 PHE O O 1.183 -2.773 2.718 1.00 . A A . 7 PHE O 1 1 12 3030 1 1 8 ARG C C -2.052 -3.850 1.960 1.00 . A A . 8 ARG C 1 1 12 3031 1 1 8 ARG CA C -1.532 -2.640 2.747 1.00 . A A . 8 ARG CA 1 1 12 3032 1 1 8 ARG CB C -2.659 -1.676 3.059 1.00 . A A . 8 ARG CB 1 1 12 3033 1 1 8 ARG CD C -2.232 -1.749 5.479 1.00 . A A . 8 ARG CD 1 1 12 3034 1 1 8 ARG CG C -3.274 -2.030 4.401 1.00 . A A . 8 ARG CG 1 1 12 3035 1 1 8 ARG CZ C -2.744 -0.851 7.668 1.00 . A A . 8 ARG CZ 1 1 12 3036 1 1 8 ARG H H -1.024 -1.133 1.340 1.00 . A A . 8 ARG H 1 1 12 3037 1 1 8 ARG HA H -1.049 -2.944 3.657 1.00 . A A . 8 ARG HA 1 1 12 3038 1 1 8 ARG HB2 H -2.250 -0.679 3.111 1.00 . A A . 8 ARG HB2 1 1 12 3039 1 1 8 ARG HB3 H -3.398 -1.722 2.281 1.00 . A A . 8 ARG HB3 1 1 12 3040 1 1 8 ARG HD2 H -2.003 -2.653 6.024 1.00 . A A . 8 ARG HD2 1 1 12 3041 1 1 8 ARG HD3 H -1.336 -1.340 5.026 1.00 . A A . 8 ARG HD3 1 1 12 3042 1 1 8 ARG HE H -3.358 0.013 5.991 1.00 . A A . 8 ARG HE 1 1 12 3043 1 1 8 ARG HG2 H -4.155 -1.425 4.571 1.00 . A A . 8 ARG HG2 1 1 12 3044 1 1 8 ARG HG3 H -3.538 -3.075 4.418 1.00 . A A . 8 ARG HG3 1 1 12 3045 1 1 8 ARG HH11 H -4.240 -2.171 7.838 1.00 . A A . 8 ARG HH11 1 1 12 3046 1 1 8 ARG HH12 H -3.453 -1.735 9.319 1.00 . A A . 8 ARG HH12 1 1 12 3047 1 1 8 ARG HH21 H -1.222 0.443 7.800 1.00 . A A . 8 ARG HH21 1 1 12 3048 1 1 8 ARG HH22 H -1.744 -0.256 9.297 1.00 . A A . 8 ARG HH22 1 1 12 3049 1 1 8 ARG N N -0.633 -1.812 1.924 1.00 . A A . 8 ARG N 1 1 12 3050 1 1 8 ARG NE N -2.859 -0.737 6.374 1.00 . A A . 8 ARG NE 1 1 12 3051 1 1 8 ARG NH1 N -3.540 -1.648 8.327 1.00 . A A . 8 ARG NH1 1 1 12 3052 1 1 8 ARG NH2 N -1.832 -0.168 8.305 1.00 . A A . 8 ARG NH2 1 1 12 3053 1 1 8 ARG O O -2.774 -4.676 2.486 1.00 . A A . 8 ARG O 1 1 12 3054 1 1 9 LYS C C -1.129 -6.207 -0.193 1.00 . A A . 9 LYS C 1 1 12 3055 1 1 9 LYS CA C -2.193 -5.109 -0.109 1.00 . A A . 9 LYS CA 1 1 12 3056 1 1 9 LYS CB C -2.469 -4.523 -1.494 1.00 . A A . 9 LYS CB 1 1 12 3057 1 1 9 LYS CD C -4.847 -5.279 -1.648 1.00 . A A . 9 LYS CD 1 1 12 3058 1 1 9 LYS CE C -6.306 -4.818 -1.615 1.00 . A A . 9 LYS CE 1 1 12 3059 1 1 9 LYS CG C -3.924 -4.061 -1.573 1.00 . A A . 9 LYS CG 1 1 12 3060 1 1 9 LYS H H -1.128 -3.280 0.294 1.00 . A A . 9 LYS H 1 1 12 3061 1 1 9 LYS HA H -3.105 -5.503 0.310 1.00 . A A . 9 LYS HA 1 1 12 3062 1 1 9 LYS HB2 H -1.817 -3.678 -1.662 1.00 . A A . 9 LYS HB2 1 1 12 3063 1 1 9 LYS HB3 H -2.291 -5.276 -2.248 1.00 . A A . 9 LYS HB3 1 1 12 3064 1 1 9 LYS HD2 H -4.659 -5.817 -2.566 1.00 . A A . 9 LYS HD2 1 1 12 3065 1 1 9 LYS HD3 H -4.657 -5.928 -0.807 1.00 . A A . 9 LYS HD3 1 1 12 3066 1 1 9 LYS HE2 H -6.381 -3.848 -1.143 1.00 . A A . 9 LYS HE2 1 1 12 3067 1 1 9 LYS HE3 H -6.713 -4.788 -2.613 1.00 . A A . 9 LYS HE3 1 1 12 3068 1 1 9 LYS HG2 H -4.162 -3.480 -0.695 1.00 . A A . 9 LYS HG2 1 1 12 3069 1 1 9 LYS HG3 H -4.062 -3.454 -2.455 1.00 . A A . 9 LYS HG3 1 1 12 3070 1 1 9 LYS HZ1 H -6.904 -6.780 -1.253 1.00 . A A . 9 LYS HZ1 1 1 12 3071 1 1 9 LYS HZ2 H -8.026 -5.608 -0.747 1.00 . A A . 9 LYS HZ2 1 1 12 3072 1 1 9 LYS HZ3 H -6.610 -5.877 0.153 1.00 . A A . 9 LYS HZ3 1 1 12 3073 1 1 9 LYS N N -1.704 -3.958 0.705 1.00 . A A . 9 LYS N 1 1 12 3074 1 1 9 LYS NZ N -7.015 -5.849 -0.805 1.00 . A A . 9 LYS NZ 1 1 12 3075 1 1 9 LYS O O -1.373 -7.344 0.163 1.00 . A A . 9 LYS O 1 1 12 3076 1 1 10 TRP C C 1.925 -6.958 0.521 1.00 . A A . 10 TRP C 1 1 12 3077 1 1 10 TRP CA C 1.112 -6.907 -0.784 1.00 . A A . 10 TRP CA 1 1 12 3078 1 1 10 TRP CB C 1.968 -6.426 -1.963 1.00 . A A . 10 TRP CB 1 1 12 3079 1 1 10 TRP CD1 C 1.374 -4.881 -3.861 1.00 . A A . 10 TRP CD1 1 1 12 3080 1 1 10 TRP CD2 C -0.186 -6.460 -3.537 1.00 . A A . 10 TRP CD2 1 1 12 3081 1 1 10 TRP CE2 C -0.632 -5.673 -4.618 1.00 . A A . 10 TRP CE2 1 1 12 3082 1 1 10 TRP CE3 C -0.987 -7.526 -3.126 1.00 . A A . 10 TRP CE3 1 1 12 3083 1 1 10 TRP CG C 1.095 -5.940 -3.078 1.00 . A A . 10 TRP CG 1 1 12 3084 1 1 10 TRP CH2 C -2.626 -7.006 -4.847 1.00 . A A . 10 TRP CH2 1 1 12 3085 1 1 10 TRP CZ2 C -1.837 -5.937 -5.271 1.00 . A A . 10 TRP CZ2 1 1 12 3086 1 1 10 TRP CZ3 C -2.202 -7.800 -3.774 1.00 . A A . 10 TRP CZ3 1 1 12 3087 1 1 10 TRP H H 0.230 -4.970 -0.958 1.00 . A A . 10 TRP H 1 1 12 3088 1 1 10 TRP HA H 0.689 -7.874 -1.003 1.00 . A A . 10 TRP HA 1 1 12 3089 1 1 10 TRP HB2 H 2.596 -5.613 -1.638 1.00 . A A . 10 TRP HB2 1 1 12 3090 1 1 10 TRP HB3 H 2.583 -7.238 -2.316 1.00 . A A . 10 TRP HB3 1 1 12 3091 1 1 10 TRP HD1 H 2.254 -4.260 -3.785 1.00 . A A . 10 TRP HD1 1 1 12 3092 1 1 10 TRP HE1 H 0.310 -4.041 -5.458 1.00 . A A . 10 TRP HE1 1 1 12 3093 1 1 10 TRP HE3 H -0.668 -8.131 -2.307 1.00 . A A . 10 TRP HE3 1 1 12 3094 1 1 10 TRP HH2 H -3.561 -7.220 -5.344 1.00 . A A . 10 TRP HH2 1 1 12 3095 1 1 10 TRP HZ2 H -2.154 -5.319 -6.097 1.00 . A A . 10 TRP HZ2 1 1 12 3096 1 1 10 TRP HZ3 H -2.812 -8.629 -3.445 1.00 . A A . 10 TRP HZ3 1 1 12 3097 1 1 10 TRP N N 0.045 -5.884 -0.668 1.00 . A A . 10 TRP N 1 1 12 3098 1 1 10 TRP NE1 N 0.352 -4.726 -4.777 1.00 . A A . 10 TRP NE1 1 1 12 3099 1 1 10 TRP O O 1.409 -7.292 1.569 1.00 . A A . 10 TRP O 1 1 12 3100 1 1 11 LYS C C 5.353 -5.947 1.360 1.00 . A A . 11 LYS C 1 1 12 3101 1 1 11 LYS CA C 4.035 -6.636 1.688 1.00 . A A . 11 LYS CA 1 1 12 3102 1 1 11 LYS CB C 4.272 -8.108 2.029 1.00 . A A . 11 LYS CB 1 1 12 3103 1 1 11 LYS CD C 3.574 -9.552 0.134 1.00 . A A . 11 LYS CD 1 1 12 3104 1 1 11 LYS CE C 3.605 -9.315 -1.378 1.00 . A A . 11 LYS CE 1 1 12 3105 1 1 11 LYS CG C 4.762 -8.853 0.790 1.00 . A A . 11 LYS CG 1 1 12 3106 1 1 11 LYS H H 3.582 -6.344 -0.386 1.00 . A A . 11 LYS H 1 1 12 3107 1 1 11 LYS HA H 3.532 -6.146 2.498 1.00 . A A . 11 LYS HA 1 1 12 3108 1 1 11 LYS HB2 H 5.014 -8.181 2.811 1.00 . A A . 11 LYS HB2 1 1 12 3109 1 1 11 LYS HB3 H 3.347 -8.549 2.368 1.00 . A A . 11 LYS HB3 1 1 12 3110 1 1 11 LYS HD2 H 3.623 -10.612 0.335 1.00 . A A . 11 LYS HD2 1 1 12 3111 1 1 11 LYS HD3 H 2.659 -9.148 0.543 1.00 . A A . 11 LYS HD3 1 1 12 3112 1 1 11 LYS HE2 H 2.600 -9.305 -1.776 1.00 . A A . 11 LYS HE2 1 1 12 3113 1 1 11 LYS HE3 H 4.111 -8.390 -1.603 1.00 . A A . 11 LYS HE3 1 1 12 3114 1 1 11 LYS HG2 H 5.199 -8.149 0.098 1.00 . A A . 11 LYS HG2 1 1 12 3115 1 1 11 LYS HG3 H 5.499 -9.589 1.075 1.00 . A A . 11 LYS HG3 1 1 12 3116 1 1 11 LYS HZ1 H 4.489 -10.346 -2.956 1.00 . A A . 11 LYS HZ1 1 1 12 3117 1 1 11 LYS HZ2 H 3.859 -11.349 -1.739 1.00 . A A . 11 LYS HZ2 1 1 12 3118 1 1 11 LYS HZ3 H 5.310 -10.505 -1.480 1.00 . A A . 11 LYS HZ3 1 1 12 3119 1 1 11 LYS N N 3.186 -6.622 0.466 1.00 . A A . 11 LYS N 1 1 12 3120 1 1 11 LYS NZ N 4.374 -10.466 -1.930 1.00 . A A . 11 LYS NZ 1 1 12 3121 1 1 11 LYS O O 6.395 -6.293 1.880 1.00 . A A . 11 LYS O 1 1 12 3122 1 1 12 LYS C C 7.800 -4.839 0.552 1.00 . A A . 12 LYS C 1 1 12 3123 1 1 12 LYS CA C 6.493 -4.226 0.030 1.00 . A A . 12 LYS CA 1 1 12 3124 1 1 12 LYS CB C 6.290 -2.825 0.592 1.00 . A A . 12 LYS CB 1 1 12 3125 1 1 12 LYS CD C 5.383 -1.834 -1.516 1.00 . A A . 12 LYS CD 1 1 12 3126 1 1 12 LYS CE C 5.782 -0.360 -1.614 1.00 . A A . 12 LYS CE 1 1 12 3127 1 1 12 LYS CG C 5.063 -2.181 -0.059 1.00 . A A . 12 LYS CG 1 1 12 3128 1 1 12 LYS H H 4.432 -4.746 0.084 1.00 . A A . 12 LYS H 1 1 12 3129 1 1 12 LYS HA H 6.501 -4.185 -1.046 1.00 . A A . 12 LYS HA 1 1 12 3130 1 1 12 LYS HB2 H 6.144 -2.881 1.661 1.00 . A A . 12 LYS HB2 1 1 12 3131 1 1 12 LYS HB3 H 7.154 -2.233 0.377 1.00 . A A . 12 LYS HB3 1 1 12 3132 1 1 12 LYS HD2 H 6.198 -2.451 -1.863 1.00 . A A . 12 LYS HD2 1 1 12 3133 1 1 12 LYS HD3 H 4.510 -2.011 -2.126 1.00 . A A . 12 LYS HD3 1 1 12 3134 1 1 12 LYS HE2 H 5.350 0.088 -2.500 1.00 . A A . 12 LYS HE2 1 1 12 3135 1 1 12 LYS HE3 H 5.470 0.176 -0.731 1.00 . A A . 12 LYS HE3 1 1 12 3136 1 1 12 LYS HG2 H 4.232 -2.869 -0.026 1.00 . A A . 12 LYS HG2 1 1 12 3137 1 1 12 LYS HG3 H 4.805 -1.279 0.475 1.00 . A A . 12 LYS HG3 1 1 12 3138 1 1 12 LYS HZ1 H 7.567 -1.050 -2.431 1.00 . A A . 12 LYS HZ1 1 1 12 3139 1 1 12 LYS HZ2 H 7.670 -0.640 -0.786 1.00 . A A . 12 LYS HZ2 1 1 12 3140 1 1 12 LYS HZ3 H 7.605 0.580 -1.966 1.00 . A A . 12 LYS HZ3 1 1 12 3141 1 1 12 LYS N N 5.293 -4.980 0.476 1.00 . A A . 12 LYS N 1 1 12 3142 1 1 12 LYS NZ N 7.268 -0.368 -1.707 1.00 . A A . 12 LYS NZ 1 1 12 3143 1 1 12 LYS O O 8.194 -4.494 1.654 1.00 . A A . 12 LYS O 1 1 12 3144 1 1 12 LYS OXT O 8.381 -5.641 -0.160 1.00 . A A . 12 LYS OXT 1 1 13 3145 1 1 1 ARG C C 1.583 8.823 -3.277 1.00 . A A . 1 ARG C 1 1 13 3146 1 1 1 ARG CA C 2.464 9.212 -4.467 1.00 . A A . 1 ARG CA 1 1 13 3147 1 1 1 ARG CB C 3.527 8.138 -4.717 1.00 . A A . 1 ARG CB 1 1 13 3148 1 1 1 ARG CD C 3.645 8.323 -7.205 1.00 . A A . 1 ARG CD 1 1 13 3149 1 1 1 ARG CG C 4.408 8.537 -5.901 1.00 . A A . 1 ARG CG 1 1 13 3150 1 1 1 ARG CZ C 2.343 9.813 -8.603 1.00 . A A . 1 ARG CZ 1 1 13 3151 1 1 1 ARG H1 H 3.521 10.919 -5.036 1.00 . A A . 1 ARG H1 1 1 13 3152 1 1 1 ARG H2 H 4.070 10.218 -3.589 1.00 . A A . 1 ARG H2 1 1 13 3153 1 1 1 ARG H3 H 2.622 11.106 -3.611 1.00 . A A . 1 ARG H3 1 1 13 3154 1 1 1 ARG HA H 1.863 9.350 -5.351 1.00 . A A . 1 ARG HA 1 1 13 3155 1 1 1 ARG HB2 H 4.140 8.030 -3.834 1.00 . A A . 1 ARG HB2 1 1 13 3156 1 1 1 ARG HB3 H 3.044 7.199 -4.934 1.00 . A A . 1 ARG HB3 1 1 13 3157 1 1 1 ARG HD2 H 4.336 8.127 -8.014 1.00 . A A . 1 ARG HD2 1 1 13 3158 1 1 1 ARG HD3 H 2.955 7.507 -7.095 1.00 . A A . 1 ARG HD3 1 1 13 3159 1 1 1 ARG HE H 2.847 10.269 -6.738 1.00 . A A . 1 ARG HE 1 1 13 3160 1 1 1 ARG HG2 H 4.694 9.574 -5.812 1.00 . A A . 1 ARG HG2 1 1 13 3161 1 1 1 ARG HG3 H 5.286 7.919 -5.908 1.00 . A A . 1 ARG HG3 1 1 13 3162 1 1 1 ARG HH11 H 1.630 7.951 -8.779 1.00 . A A . 1 ARG HH11 1 1 13 3163 1 1 1 ARG HH12 H 1.264 9.021 -10.092 1.00 . A A . 1 ARG HH12 1 1 13 3164 1 1 1 ARG HH21 H 2.925 11.727 -8.696 1.00 . A A . 1 ARG HH21 1 1 13 3165 1 1 1 ARG HH22 H 1.997 11.159 -10.044 1.00 . A A . 1 ARG HH22 1 1 13 3166 1 1 1 ARG N N 3.228 10.458 -4.153 1.00 . A A . 1 ARG N 1 1 13 3167 1 1 1 ARG NE N 2.907 9.595 -7.446 1.00 . A A . 1 ARG NE 1 1 13 3168 1 1 1 ARG NH1 N 1.696 8.854 -9.205 1.00 . A A . 1 ARG NH1 1 1 13 3169 1 1 1 ARG NH2 N 2.429 10.991 -9.157 1.00 . A A . 1 ARG NH2 1 1 13 3170 1 1 1 ARG O O 1.355 9.609 -2.378 1.00 . A A . 1 ARG O 1 1 13 3171 1 1 2 GLN C C 0.776 5.893 -1.510 1.00 . A A . 2 GLN C 1 1 13 3172 1 1 2 GLN CA C 0.222 7.173 -2.129 1.00 . A A . 2 GLN CA 1 1 13 3173 1 1 2 GLN CB C -1.153 6.928 -2.746 1.00 . A A . 2 GLN CB 1 1 13 3174 1 1 2 GLN CD C -2.114 9.013 -1.765 1.00 . A A . 2 GLN CD 1 1 13 3175 1 1 2 GLN CG C -2.232 7.490 -1.822 1.00 . A A . 2 GLN CG 1 1 13 3176 1 1 2 GLN H H 1.284 6.995 -3.997 1.00 . A A . 2 GLN H 1 1 13 3177 1 1 2 GLN HA H 0.159 7.944 -1.385 1.00 . A A . 2 GLN HA 1 1 13 3178 1 1 2 GLN HB2 H -1.209 7.419 -3.709 1.00 . A A . 2 GLN HB2 1 1 13 3179 1 1 2 GLN HB3 H -1.306 5.866 -2.873 1.00 . A A . 2 GLN HB3 1 1 13 3180 1 1 2 GLN HE21 H -1.366 9.022 0.077 1.00 . A A . 2 GLN HE21 1 1 13 3181 1 1 2 GLN HE22 H -1.560 10.556 -0.642 1.00 . A A . 2 GLN HE22 1 1 13 3182 1 1 2 GLN HG2 H -3.206 7.218 -2.199 1.00 . A A . 2 GLN HG2 1 1 13 3183 1 1 2 GLN HG3 H -2.101 7.085 -0.828 1.00 . A A . 2 GLN HG3 1 1 13 3184 1 1 2 GLN N N 1.087 7.614 -3.262 1.00 . A A . 2 GLN N 1 1 13 3185 1 1 2 GLN NE2 N -1.641 9.578 -0.688 1.00 . A A . 2 GLN NE2 1 1 13 3186 1 1 2 GLN O O 1.144 5.869 -0.356 1.00 . A A . 2 GLN O 1 1 13 3187 1 1 2 GLN OE1 O -2.454 9.697 -2.710 1.00 . A A . 2 GLN OE1 1 1 13 3188 1 1 3 ILE C C 1.026 3.262 -0.321 1.00 . A A . 3 ILE C 1 1 13 3189 1 1 3 ILE CA C 1.415 3.562 -1.784 1.00 . A A . 3 ILE CA 1 1 13 3190 1 1 3 ILE CB C 2.918 3.742 -1.980 1.00 . A A . 3 ILE CB 1 1 13 3191 1 1 3 ILE CD1 C 3.252 1.426 -1.154 1.00 . A A . 3 ILE CD1 1 1 13 3192 1 1 3 ILE CG1 C 3.508 2.386 -2.315 1.00 . A A . 3 ILE CG1 1 1 13 3193 1 1 3 ILE CG2 C 3.594 4.335 -0.735 1.00 . A A . 3 ILE CG2 1 1 13 3194 1 1 3 ILE H H 0.591 4.901 -3.212 1.00 . A A . 3 ILE H 1 1 13 3195 1 1 3 ILE HA H 1.079 2.755 -2.419 1.00 . A A . 3 ILE HA 1 1 13 3196 1 1 3 ILE HB H 3.071 4.405 -2.815 1.00 . A A . 3 ILE HB 1 1 13 3197 1 1 3 ILE HD11 H 3.754 0.494 -1.338 1.00 . A A . 3 ILE HD11 1 1 13 3198 1 1 3 ILE HD12 H 2.188 1.255 -1.060 1.00 . A A . 3 ILE HD12 1 1 13 3199 1 1 3 ILE HD13 H 3.624 1.866 -0.239 1.00 . A A . 3 ILE HD13 1 1 13 3200 1 1 3 ILE HG12 H 3.020 2.018 -3.208 1.00 . A A . 3 ILE HG12 1 1 13 3201 1 1 3 ILE HG13 H 4.571 2.480 -2.486 1.00 . A A . 3 ILE HG13 1 1 13 3202 1 1 3 ILE HG21 H 2.851 4.781 -0.094 1.00 . A A . 3 ILE HG21 1 1 13 3203 1 1 3 ILE HG22 H 4.303 5.091 -1.039 1.00 . A A . 3 ILE HG22 1 1 13 3204 1 1 3 ILE HG23 H 4.110 3.554 -0.199 1.00 . A A . 3 ILE HG23 1 1 13 3205 1 1 3 ILE N N 0.863 4.844 -2.282 1.00 . A A . 3 ILE N 1 1 13 3206 1 1 3 ILE O O 1.836 2.831 0.474 1.00 . A A . 3 ILE O 1 1 13 3207 1 1 4 LYS C C -1.661 2.034 1.395 1.00 . A A . 4 LYS C 1 1 13 3208 1 1 4 LYS CA C -0.633 3.159 1.424 1.00 . A A . 4 LYS CA 1 1 13 3209 1 1 4 LYS CB C -1.215 4.462 1.944 1.00 . A A . 4 LYS CB 1 1 13 3210 1 1 4 LYS CD C -0.067 6.139 3.394 1.00 . A A . 4 LYS CD 1 1 13 3211 1 1 4 LYS CE C 0.938 5.400 4.281 1.00 . A A . 4 LYS CE 1 1 13 3212 1 1 4 LYS CG C -0.098 5.492 2.007 1.00 . A A . 4 LYS CG 1 1 13 3213 1 1 4 LYS H H -0.862 3.800 -0.607 1.00 . A A . 4 LYS H 1 1 13 3214 1 1 4 LYS HA H 0.218 2.871 2.017 1.00 . A A . 4 LYS HA 1 1 13 3215 1 1 4 LYS HB2 H -1.999 4.806 1.285 1.00 . A A . 4 LYS HB2 1 1 13 3216 1 1 4 LYS HB3 H -1.603 4.308 2.922 1.00 . A A . 4 LYS HB3 1 1 13 3217 1 1 4 LYS HD2 H 0.226 7.175 3.302 1.00 . A A . 4 LYS HD2 1 1 13 3218 1 1 4 LYS HD3 H -1.048 6.081 3.840 1.00 . A A . 4 LYS HD3 1 1 13 3219 1 1 4 LYS HE2 H 0.542 5.285 5.281 1.00 . A A . 4 LYS HE2 1 1 13 3220 1 1 4 LYS HE3 H 1.179 4.437 3.859 1.00 . A A . 4 LYS HE3 1 1 13 3221 1 1 4 LYS HG2 H 0.839 4.990 1.820 1.00 . A A . 4 LYS HG2 1 1 13 3222 1 1 4 LYS HG3 H -0.262 6.252 1.258 1.00 . A A . 4 LYS HG3 1 1 13 3223 1 1 4 LYS HZ1 H 2.412 6.512 3.321 1.00 . A A . 4 LYS HZ1 1 1 13 3224 1 1 4 LYS HZ2 H 2.933 5.761 4.753 1.00 . A A . 4 LYS HZ2 1 1 13 3225 1 1 4 LYS HZ3 H 1.943 7.139 4.825 1.00 . A A . 4 LYS HZ3 1 1 13 3226 1 1 4 LYS N N -0.209 3.464 0.035 1.00 . A A . 4 LYS N 1 1 13 3227 1 1 4 LYS NZ N 2.148 6.269 4.296 1.00 . A A . 4 LYS NZ 1 1 13 3228 1 1 4 LYS O O -1.558 1.067 2.124 1.00 . A A . 4 LYS O 1 1 13 3229 1 1 5 ILE C C -2.881 -0.155 -0.255 1.00 . A A . 5 ILE C 1 1 13 3230 1 1 5 ILE CA C -3.610 1.021 0.387 1.00 . A A . 5 ILE CA 1 1 13 3231 1 1 5 ILE CB C -4.699 1.554 -0.545 1.00 . A A . 5 ILE CB 1 1 13 3232 1 1 5 ILE CD1 C -5.860 3.678 -1.127 1.00 . A A . 5 ILE CD1 1 1 13 3233 1 1 5 ILE CG1 C -5.272 2.852 0.016 1.00 . A A . 5 ILE CG1 1 1 13 3234 1 1 5 ILE CG2 C -5.817 0.519 -0.675 1.00 . A A . 5 ILE CG2 1 1 13 3235 1 1 5 ILE H H -2.649 2.886 -0.095 1.00 . A A . 5 ILE H 1 1 13 3236 1 1 5 ILE HA H -4.021 0.751 1.349 1.00 . A A . 5 ILE HA 1 1 13 3237 1 1 5 ILE HB H -4.271 1.746 -1.516 1.00 . A A . 5 ILE HB 1 1 13 3238 1 1 5 ILE HD11 H -6.900 3.423 -1.257 1.00 . A A . 5 ILE HD11 1 1 13 3239 1 1 5 ILE HD12 H -5.319 3.464 -2.039 1.00 . A A . 5 ILE HD12 1 1 13 3240 1 1 5 ILE HD13 H -5.771 4.729 -0.895 1.00 . A A . 5 ILE HD13 1 1 13 3241 1 1 5 ILE HG12 H -6.043 2.627 0.737 1.00 . A A . 5 ILE HG12 1 1 13 3242 1 1 5 ILE HG13 H -4.484 3.412 0.490 1.00 . A A . 5 ILE HG13 1 1 13 3243 1 1 5 ILE HG21 H -6.447 0.558 0.202 1.00 . A A . 5 ILE HG21 1 1 13 3244 1 1 5 ILE HG22 H -5.386 -0.467 -0.766 1.00 . A A . 5 ILE HG22 1 1 13 3245 1 1 5 ILE HG23 H -6.408 0.736 -1.552 1.00 . A A . 5 ILE HG23 1 1 13 3246 1 1 5 ILE N N -2.616 2.122 0.513 1.00 . A A . 5 ILE N 1 1 13 3247 1 1 5 ILE O O -3.133 -1.309 0.030 1.00 . A A . 5 ILE O 1 1 13 3248 1 1 6 TRP C C -0.282 -1.573 -0.746 1.00 . A A . 6 TRP C 1 1 13 3249 1 1 6 TRP CA C -1.121 -0.870 -1.782 1.00 . A A . 6 TRP CA 1 1 13 3250 1 1 6 TRP CB C -0.200 -0.080 -2.711 1.00 . A A . 6 TRP CB 1 1 13 3251 1 1 6 TRP CD1 C -1.129 -0.103 -5.001 1.00 . A A . 6 TRP CD1 1 1 13 3252 1 1 6 TRP CD2 C -1.715 1.740 -3.891 1.00 . A A . 6 TRP CD2 1 1 13 3253 1 1 6 TRP CE2 C -2.306 1.839 -5.169 1.00 . A A . 6 TRP CE2 1 1 13 3254 1 1 6 TRP CE3 C -1.924 2.781 -2.976 1.00 . A A . 6 TRP CE3 1 1 13 3255 1 1 6 TRP CG C -0.985 0.490 -3.824 1.00 . A A . 6 TRP CG 1 1 13 3256 1 1 6 TRP CH2 C -3.284 3.967 -4.612 1.00 . A A . 6 TRP CH2 1 1 13 3257 1 1 6 TRP CZ2 C -3.081 2.934 -5.531 1.00 . A A . 6 TRP CZ2 1 1 13 3258 1 1 6 TRP CZ3 C -2.705 3.892 -3.335 1.00 . A A . 6 TRP CZ3 1 1 13 3259 1 1 6 TRP H H -1.764 1.109 -1.280 1.00 . A A . 6 TRP H 1 1 13 3260 1 1 6 TRP HA H -1.730 -1.558 -2.325 1.00 . A A . 6 TRP HA 1 1 13 3261 1 1 6 TRP HB2 H 0.262 0.720 -2.165 1.00 . A A . 6 TRP HB2 1 1 13 3262 1 1 6 TRP HB3 H 0.563 -0.731 -3.108 1.00 . A A . 6 TRP HB3 1 1 13 3263 1 1 6 TRP HD1 H -0.697 -1.041 -5.256 1.00 . A A . 6 TRP HD1 1 1 13 3264 1 1 6 TRP HE1 H -2.178 0.466 -6.729 1.00 . A A . 6 TRP HE1 1 1 13 3265 1 1 6 TRP HE3 H -1.475 2.725 -1.992 1.00 . A A . 6 TRP HE3 1 1 13 3266 1 1 6 TRP HH2 H -3.884 4.822 -4.885 1.00 . A A . 6 TRP HH2 1 1 13 3267 1 1 6 TRP HZ2 H -3.521 2.982 -6.514 1.00 . A A . 6 TRP HZ2 1 1 13 3268 1 1 6 TRP HZ3 H -2.863 4.690 -2.625 1.00 . A A . 6 TRP HZ3 1 1 13 3269 1 1 6 TRP N N -1.943 0.166 -1.104 1.00 . A A . 6 TRP N 1 1 13 3270 1 1 6 TRP NE1 N -1.918 0.683 -5.814 1.00 . A A . 6 TRP NE1 1 1 13 3271 1 1 6 TRP O O -0.344 -2.772 -0.556 1.00 . A A . 6 TRP O 1 1 13 3272 1 1 7 PHE C C 0.510 -2.202 1.972 1.00 . A A . 7 PHE C 1 1 13 3273 1 1 7 PHE CA C 1.357 -1.345 1.026 1.00 . A A . 7 PHE CA 1 1 13 3274 1 1 7 PHE CB C 1.881 -0.104 1.755 1.00 . A A . 7 PHE CB 1 1 13 3275 1 1 7 PHE CD1 C 1.794 -0.648 4.215 1.00 . A A . 7 PHE CD1 1 1 13 3276 1 1 7 PHE CD2 C 3.930 -0.747 3.073 1.00 . A A . 7 PHE CD2 1 1 13 3277 1 1 7 PHE CE1 C 2.416 -1.024 5.411 1.00 . A A . 7 PHE CE1 1 1 13 3278 1 1 7 PHE CE2 C 4.553 -1.122 4.268 1.00 . A A . 7 PHE CE2 1 1 13 3279 1 1 7 PHE CG C 2.552 -0.510 3.046 1.00 . A A . 7 PHE CG 1 1 13 3280 1 1 7 PHE CZ C 3.797 -1.261 5.439 1.00 . A A . 7 PHE CZ 1 1 13 3281 1 1 7 PHE H H 0.480 0.166 -0.247 1.00 . A A . 7 PHE H 1 1 13 3282 1 1 7 PHE HA H 2.175 -1.914 0.616 1.00 . A A . 7 PHE HA 1 1 13 3283 1 1 7 PHE HB2 H 2.590 0.410 1.124 1.00 . A A . 7 PHE HB2 1 1 13 3284 1 1 7 PHE HB3 H 1.054 0.555 1.975 1.00 . A A . 7 PHE HB3 1 1 13 3285 1 1 7 PHE HD1 H 0.727 -0.466 4.193 1.00 . A A . 7 PHE HD1 1 1 13 3286 1 1 7 PHE HD2 H 4.512 -0.639 2.170 1.00 . A A . 7 PHE HD2 1 1 13 3287 1 1 7 PHE HE1 H 1.832 -1.132 6.314 1.00 . A A . 7 PHE HE1 1 1 13 3288 1 1 7 PHE HE2 H 5.617 -1.305 4.289 1.00 . A A . 7 PHE HE2 1 1 13 3289 1 1 7 PHE HZ H 4.276 -1.551 6.361 1.00 . A A . 7 PHE HZ 1 1 13 3290 1 1 7 PHE N N 0.490 -0.798 -0.056 1.00 . A A . 7 PHE N 1 1 13 3291 1 1 7 PHE O O 1.014 -3.013 2.724 1.00 . A A . 7 PHE O 1 1 13 3292 1 1 8 ARG C C -2.153 -4.062 2.158 1.00 . A A . 8 ARG C 1 1 13 3293 1 1 8 ARG CA C -1.689 -2.759 2.821 1.00 . A A . 8 ARG CA 1 1 13 3294 1 1 8 ARG CB C -2.843 -1.793 2.994 1.00 . A A . 8 ARG CB 1 1 13 3295 1 1 8 ARG CD C -2.554 -1.655 5.435 1.00 . A A . 8 ARG CD 1 1 13 3296 1 1 8 ARG CG C -3.527 -2.050 4.326 1.00 . A A . 8 ARG CG 1 1 13 3297 1 1 8 ARG CZ C -2.684 -0.085 7.274 1.00 . A A . 8 ARG CZ 1 1 13 3298 1 1 8 ARG H H -1.157 -1.332 1.335 1.00 . A A . 8 ARG H 1 1 13 3299 1 1 8 ARG HA H -1.228 -2.949 3.773 1.00 . A A . 8 ARG HA 1 1 13 3300 1 1 8 ARG HB2 H -2.450 -0.787 2.987 1.00 . A A . 8 ARG HB2 1 1 13 3301 1 1 8 ARG HB3 H -3.540 -1.912 2.185 1.00 . A A . 8 ARG HB3 1 1 13 3302 1 1 8 ARG HD2 H -2.337 -2.507 6.063 1.00 . A A . 8 ARG HD2 1 1 13 3303 1 1 8 ARG HD3 H -1.643 -1.262 4.999 1.00 . A A . 8 ARG HD3 1 1 13 3304 1 1 8 ARG HE H -4.133 -0.273 5.931 1.00 . A A . 8 ARG HE 1 1 13 3305 1 1 8 ARG HG2 H -4.428 -1.456 4.395 1.00 . A A . 8 ARG HG2 1 1 13 3306 1 1 8 ARG HG3 H -3.771 -3.096 4.414 1.00 . A A . 8 ARG HG3 1 1 13 3307 1 1 8 ARG HH11 H -0.871 0.043 6.433 1.00 . A A . 8 ARG HH11 1 1 13 3308 1 1 8 ARG HH12 H -0.978 0.595 8.071 1.00 . A A . 8 ARG HH12 1 1 13 3309 1 1 8 ARG HH21 H -4.363 -0.095 8.366 1.00 . A A . 8 ARG HH21 1 1 13 3310 1 1 8 ARG HH22 H -2.953 0.517 9.164 1.00 . A A . 8 ARG HH22 1 1 13 3311 1 1 8 ARG N N -0.779 -2.004 1.939 1.00 . A A . 8 ARG N 1 1 13 3312 1 1 8 ARG NE N -3.250 -0.592 6.213 1.00 . A A . 8 ARG NE 1 1 13 3313 1 1 8 ARG NH1 N -1.412 0.208 7.257 1.00 . A A . 8 ARG NH1 1 1 13 3314 1 1 8 ARG NH2 N -3.388 0.129 8.352 1.00 . A A . 8 ARG NH2 1 1 13 3315 1 1 8 ARG O O -2.780 -4.894 2.785 1.00 . A A . 8 ARG O 1 1 13 3316 1 1 9 LYS C C -1.136 -6.499 0.140 1.00 . A A . 9 LYS C 1 1 13 3317 1 1 9 LYS CA C -2.290 -5.493 0.204 1.00 . A A . 9 LYS CA 1 1 13 3318 1 1 9 LYS CB C -2.691 -5.046 -1.203 1.00 . A A . 9 LYS CB 1 1 13 3319 1 1 9 LYS CD C -4.851 -6.305 -1.235 1.00 . A A . 9 LYS CD 1 1 13 3320 1 1 9 LYS CE C -6.371 -6.167 -1.123 1.00 . A A . 9 LYS CE 1 1 13 3321 1 1 9 LYS CG C -4.212 -4.916 -1.285 1.00 . A A . 9 LYS CG 1 1 13 3322 1 1 9 LYS H H -1.354 -3.563 0.406 1.00 . A A . 9 LYS H 1 1 13 3323 1 1 9 LYS HA H -3.138 -5.928 0.707 1.00 . A A . 9 LYS HA 1 1 13 3324 1 1 9 LYS HB2 H -2.237 -4.089 -1.418 1.00 . A A . 9 LYS HB2 1 1 13 3325 1 1 9 LYS HB3 H -2.355 -5.778 -1.923 1.00 . A A . 9 LYS HB3 1 1 13 3326 1 1 9 LYS HD2 H -4.603 -6.847 -2.137 1.00 . A A . 9 LYS HD2 1 1 13 3327 1 1 9 LYS HD3 H -4.476 -6.843 -0.378 1.00 . A A . 9 LYS HD3 1 1 13 3328 1 1 9 LYS HE2 H -6.766 -6.918 -0.452 1.00 . A A . 9 LYS HE2 1 1 13 3329 1 1 9 LYS HE3 H -6.635 -5.179 -0.781 1.00 . A A . 9 LYS HE3 1 1 13 3330 1 1 9 LYS HG2 H -4.565 -4.327 -0.452 1.00 . A A . 9 LYS HG2 1 1 13 3331 1 1 9 LYS HG3 H -4.483 -4.430 -2.210 1.00 . A A . 9 LYS HG3 1 1 13 3332 1 1 9 LYS HZ1 H -7.918 -6.345 -2.503 1.00 . A A . 9 LYS HZ1 1 1 13 3333 1 1 9 LYS HZ2 H -6.565 -7.313 -2.850 1.00 . A A . 9 LYS HZ2 1 1 13 3334 1 1 9 LYS HZ3 H -6.511 -5.638 -3.131 1.00 . A A . 9 LYS HZ3 1 1 13 3335 1 1 9 LYS N N -1.857 -4.245 0.898 1.00 . A A . 9 LYS N 1 1 13 3336 1 1 9 LYS NZ N -6.880 -6.382 -2.506 1.00 . A A . 9 LYS NZ 1 1 13 3337 1 1 9 LYS O O -1.219 -7.586 0.679 1.00 . A A . 9 LYS O 1 1 13 3338 1 1 10 TRP C C 2.008 -6.899 0.602 1.00 . A A . 10 TRP C 1 1 13 3339 1 1 10 TRP CA C 1.090 -7.080 -0.621 1.00 . A A . 10 TRP CA 1 1 13 3340 1 1 10 TRP CB C 1.799 -6.665 -1.920 1.00 . A A . 10 TRP CB 1 1 13 3341 1 1 10 TRP CD1 C 0.937 -5.388 -3.903 1.00 . A A . 10 TRP CD1 1 1 13 3342 1 1 10 TRP CD2 C -0.444 -7.051 -3.306 1.00 . A A . 10 TRP CD2 1 1 13 3343 1 1 10 TRP CE2 C -1.035 -6.423 -4.420 1.00 . A A . 10 TRP CE2 1 1 13 3344 1 1 10 TRP CE3 C -1.114 -8.132 -2.731 1.00 . A A . 10 TRP CE3 1 1 13 3345 1 1 10 TRP CG C 0.809 -6.379 -3.001 1.00 . A A . 10 TRP CG 1 1 13 3346 1 1 10 TRP CH2 C -2.909 -7.937 -4.361 1.00 . A A . 10 TRP CH2 1 1 13 3347 1 1 10 TRP CZ2 C -2.253 -6.854 -4.947 1.00 . A A . 10 TRP CZ2 1 1 13 3348 1 1 10 TRP CZ3 C -2.340 -8.577 -3.252 1.00 . A A . 10 TRP CZ3 1 1 13 3349 1 1 10 TRP H H -0.009 -5.273 -0.950 1.00 . A A . 10 TRP H 1 1 13 3350 1 1 10 TRP HA H 0.750 -8.101 -0.692 1.00 . A A . 10 TRP HA 1 1 13 3351 1 1 10 TRP HB2 H 2.371 -5.770 -1.741 1.00 . A A . 10 TRP HB2 1 1 13 3352 1 1 10 TRP HB3 H 2.460 -7.455 -2.238 1.00 . A A . 10 TRP HB3 1 1 13 3353 1 1 10 TRP HD1 H 1.761 -4.690 -3.956 1.00 . A A . 10 TRP HD1 1 1 13 3354 1 1 10 TRP HE1 H -0.309 -4.812 -5.487 1.00 . A A . 10 TRP HE1 1 1 13 3355 1 1 10 TRP HE3 H -0.683 -8.621 -1.884 1.00 . A A . 10 TRP HE3 1 1 13 3356 1 1 10 TRP HH2 H -3.852 -8.280 -4.760 1.00 . A A . 10 TRP HH2 1 1 13 3357 1 1 10 TRP HZ2 H -2.683 -6.354 -5.803 1.00 . A A . 10 TRP HZ2 1 1 13 3358 1 1 10 TRP HZ3 H -2.846 -9.415 -2.796 1.00 . A A . 10 TRP HZ3 1 1 13 3359 1 1 10 TRP N N -0.062 -6.150 -0.518 1.00 . A A . 10 TRP N 1 1 13 3360 1 1 10 TRP NE1 N -0.158 -5.417 -4.747 1.00 . A A . 10 TRP NE1 1 1 13 3361 1 1 10 TRP O O 1.630 -7.192 1.720 1.00 . A A . 10 TRP O 1 1 13 3362 1 1 11 LYS C C 5.162 -5.152 1.035 1.00 . A A . 11 LYS C 1 1 13 3363 1 1 11 LYS CA C 4.142 -6.168 1.522 1.00 . A A . 11 LYS CA 1 1 13 3364 1 1 11 LYS CB C 4.808 -7.515 1.817 1.00 . A A . 11 LYS CB 1 1 13 3365 1 1 11 LYS CD C 4.159 -9.216 0.124 1.00 . A A . 11 LYS CD 1 1 13 3366 1 1 11 LYS CE C 3.968 -9.218 -1.394 1.00 . A A . 11 LYS CE 1 1 13 3367 1 1 11 LYS CG C 5.222 -8.189 0.509 1.00 . A A . 11 LYS CG 1 1 13 3368 1 1 11 LYS H H 3.477 -6.152 -0.504 1.00 . A A . 11 LYS H 1 1 13 3369 1 1 11 LYS HA H 3.617 -5.810 2.387 1.00 . A A . 11 LYS HA 1 1 13 3370 1 1 11 LYS HB2 H 5.682 -7.356 2.432 1.00 . A A . 11 LYS HB2 1 1 13 3371 1 1 11 LYS HB3 H 4.111 -8.150 2.341 1.00 . A A . 11 LYS HB3 1 1 13 3372 1 1 11 LYS HD2 H 4.472 -10.198 0.451 1.00 . A A . 11 LYS HD2 1 1 13 3373 1 1 11 LYS HD3 H 3.227 -8.956 0.604 1.00 . A A . 11 LYS HD3 1 1 13 3374 1 1 11 LYS HE2 H 2.923 -9.344 -1.640 1.00 . A A . 11 LYS HE2 1 1 13 3375 1 1 11 LYS HE3 H 4.348 -8.304 -1.822 1.00 . A A . 11 LYS HE3 1 1 13 3376 1 1 11 LYS HG2 H 5.304 -7.443 -0.267 1.00 . A A . 11 LYS HG2 1 1 13 3377 1 1 11 LYS HG3 H 6.172 -8.685 0.641 1.00 . A A . 11 LYS HG3 1 1 13 3378 1 1 11 LYS HZ1 H 5.738 -10.303 -1.529 1.00 . A A . 11 LYS HZ1 1 1 13 3379 1 1 11 LYS HZ2 H 4.768 -10.384 -2.921 1.00 . A A . 11 LYS HZ2 1 1 13 3380 1 1 11 LYS HZ3 H 4.339 -11.261 -1.530 1.00 . A A . 11 LYS HZ3 1 1 13 3381 1 1 11 LYS N N 3.199 -6.401 0.399 1.00 . A A . 11 LYS N 1 1 13 3382 1 1 11 LYS NZ N 4.764 -10.379 -1.880 1.00 . A A . 11 LYS NZ 1 1 13 3383 1 1 11 LYS O O 6.341 -5.240 1.321 1.00 . A A . 11 LYS O 1 1 13 3384 1 1 12 LYS C C 6.747 -2.821 0.599 1.00 . A A . 12 LYS C 1 1 13 3385 1 1 12 LYS CA C 5.583 -3.171 -0.338 1.00 . A A . 12 LYS CA 1 1 13 3386 1 1 12 LYS CB C 4.686 -1.946 -0.548 1.00 . A A . 12 LYS CB 1 1 13 3387 1 1 12 LYS CD C 3.984 -2.956 -2.746 1.00 . A A . 12 LYS CD 1 1 13 3388 1 1 12 LYS CE C 4.816 -1.956 -3.554 1.00 . A A . 12 LYS CE 1 1 13 3389 1 1 12 LYS CG C 3.494 -2.295 -1.454 1.00 . A A . 12 LYS CG 1 1 13 3390 1 1 12 LYS H H 3.743 -4.204 0.028 1.00 . A A . 12 LYS H 1 1 13 3391 1 1 12 LYS HA H 5.948 -3.518 -1.289 1.00 . A A . 12 LYS HA 1 1 13 3392 1 1 12 LYS HB2 H 4.317 -1.608 0.409 1.00 . A A . 12 LYS HB2 1 1 13 3393 1 1 12 LYS HB3 H 5.261 -1.160 -1.006 1.00 . A A . 12 LYS HB3 1 1 13 3394 1 1 12 LYS HD2 H 4.587 -3.820 -2.506 1.00 . A A . 12 LYS HD2 1 1 13 3395 1 1 12 LYS HD3 H 3.133 -3.268 -3.332 1.00 . A A . 12 LYS HD3 1 1 13 3396 1 1 12 LYS HE2 H 4.305 -1.698 -4.471 1.00 . A A . 12 LYS HE2 1 1 13 3397 1 1 12 LYS HE3 H 5.014 -1.070 -2.971 1.00 . A A . 12 LYS HE3 1 1 13 3398 1 1 12 LYS HG2 H 2.831 -2.970 -0.935 1.00 . A A . 12 LYS HG2 1 1 13 3399 1 1 12 LYS HG3 H 2.959 -1.390 -1.700 1.00 . A A . 12 LYS HG3 1 1 13 3400 1 1 12 LYS HZ1 H 5.884 -3.608 -4.235 1.00 . A A . 12 LYS HZ1 1 1 13 3401 1 1 12 LYS HZ2 H 6.647 -2.761 -2.975 1.00 . A A . 12 LYS HZ2 1 1 13 3402 1 1 12 LYS HZ3 H 6.637 -2.122 -4.550 1.00 . A A . 12 LYS HZ3 1 1 13 3403 1 1 12 LYS N N 4.695 -4.209 0.253 1.00 . A A . 12 LYS N 1 1 13 3404 1 1 12 LYS NZ N 6.092 -2.665 -3.851 1.00 . A A . 12 LYS NZ 1 1 13 3405 1 1 12 LYS O O 7.870 -3.173 0.272 1.00 . A A . 12 LYS O 1 1 13 3406 1 1 12 LYS OXT O 6.495 -2.208 1.623 1.00 . A A . 12 LYS OXT 1 1 14 3407 1 1 1 ARG C C 1.876 8.513 -3.179 1.00 . A A . 1 ARG C 1 1 14 3408 1 1 1 ARG CA C 2.608 8.721 -4.510 1.00 . A A . 1 ARG CA 1 1 14 3409 1 1 1 ARG CB C 3.263 10.105 -4.555 1.00 . A A . 1 ARG CB 1 1 14 3410 1 1 1 ARG CD C 4.766 10.585 -6.470 1.00 . A A . 1 ARG CD 1 1 14 3411 1 1 1 ARG CG C 4.681 9.988 -5.082 1.00 . A A . 1 ARG CG 1 1 14 3412 1 1 1 ARG CZ C 6.472 9.600 -7.880 1.00 . A A . 1 ARG CZ 1 1 14 3413 1 1 1 ARG H1 H 1.067 7.847 -5.606 1.00 . A A . 1 ARG H1 1 1 14 3414 1 1 1 ARG H2 H 2.150 8.764 -6.541 1.00 . A A . 1 ARG H2 1 1 14 3415 1 1 1 ARG H3 H 1.004 9.542 -5.557 1.00 . A A . 1 ARG H3 1 1 14 3416 1 1 1 ARG HA H 3.352 7.955 -4.654 1.00 . A A . 1 ARG HA 1 1 14 3417 1 1 1 ARG HB2 H 2.691 10.758 -5.195 1.00 . A A . 1 ARG HB2 1 1 14 3418 1 1 1 ARG HB3 H 3.304 10.515 -3.571 1.00 . A A . 1 ARG HB3 1 1 14 3419 1 1 1 ARG HD2 H 3.790 10.911 -6.807 1.00 . A A . 1 ARG HD2 1 1 14 3420 1 1 1 ARG HD3 H 5.448 11.398 -6.450 1.00 . A A . 1 ARG HD3 1 1 14 3421 1 1 1 ARG HE H 4.746 8.695 -7.501 1.00 . A A . 1 ARG HE 1 1 14 3422 1 1 1 ARG HG2 H 5.352 10.520 -4.423 1.00 . A A . 1 ARG HG2 1 1 14 3423 1 1 1 ARG HG3 H 4.964 8.967 -5.119 1.00 . A A . 1 ARG HG3 1 1 14 3424 1 1 1 ARG HH11 H 7.321 10.388 -6.246 1.00 . A A . 1 ARG HH11 1 1 14 3425 1 1 1 ARG HH12 H 8.371 10.174 -7.606 1.00 . A A . 1 ARG HH12 1 1 14 3426 1 1 1 ARG HH21 H 5.901 8.837 -9.640 1.00 . A A . 1 ARG HH21 1 1 14 3427 1 1 1 ARG HH22 H 7.568 9.295 -9.527 1.00 . A A . 1 ARG HH22 1 1 14 3428 1 1 1 ARG N N 1.634 8.719 -5.639 1.00 . A A . 1 ARG N 1 1 14 3429 1 1 1 ARG NE N 5.290 9.493 -7.338 1.00 . A A . 1 ARG NE 1 1 14 3430 1 1 1 ARG NH1 N 7.465 10.092 -7.190 1.00 . A A . 1 ARG NH1 1 1 14 3431 1 1 1 ARG NH2 N 6.662 9.215 -9.111 1.00 . A A . 1 ARG NH2 1 1 14 3432 1 1 1 ARG O O 2.041 9.270 -2.243 1.00 . A A . 1 ARG O 1 1 14 3433 1 1 2 GLN C C 0.873 5.969 -1.143 1.00 . A A . 2 GLN C 1 1 14 3434 1 1 2 GLN CA C 0.329 7.225 -1.821 1.00 . A A . 2 GLN CA 1 1 14 3435 1 1 2 GLN CB C -1.125 7.023 -2.243 1.00 . A A . 2 GLN CB 1 1 14 3436 1 1 2 GLN CD C -1.847 9.237 -1.339 1.00 . A A . 2 GLN CD 1 1 14 3437 1 1 2 GLN CG C -2.046 7.724 -1.244 1.00 . A A . 2 GLN CG 1 1 14 3438 1 1 2 GLN H H 0.953 6.889 -3.857 1.00 . A A . 2 GLN H 1 1 14 3439 1 1 2 GLN HA H 0.405 8.070 -1.160 1.00 . A A . 2 GLN HA 1 1 14 3440 1 1 2 GLN HB2 H -1.276 7.442 -3.229 1.00 . A A . 2 GLN HB2 1 1 14 3441 1 1 2 GLN HB3 H -1.351 5.969 -2.259 1.00 . A A . 2 GLN HB3 1 1 14 3442 1 1 2 GLN HE21 H -1.047 9.384 0.474 1.00 . A A . 2 GLN HE21 1 1 14 3443 1 1 2 GLN HE22 H -1.183 10.850 -0.386 1.00 . A A . 2 GLN HE22 1 1 14 3444 1 1 2 GLN HG2 H -3.074 7.481 -1.471 1.00 . A A . 2 GLN HG2 1 1 14 3445 1 1 2 GLN HG3 H -1.808 7.395 -0.243 1.00 . A A . 2 GLN HG3 1 1 14 3446 1 1 2 GLN N N 1.069 7.488 -3.090 1.00 . A A . 2 GLN N 1 1 14 3447 1 1 2 GLN NE2 N -1.314 9.877 -0.334 1.00 . A A . 2 GLN NE2 1 1 14 3448 1 1 2 GLN O O 1.149 5.964 0.036 1.00 . A A . 2 GLN O 1 1 14 3449 1 1 2 GLN OE1 O -2.178 9.844 -2.339 1.00 . A A . 2 GLN OE1 1 1 14 3450 1 1 3 ILE C C 1.033 3.290 0.035 1.00 . A A . 3 ILE C 1 1 14 3451 1 1 3 ILE CA C 1.609 3.660 -1.346 1.00 . A A . 3 ILE CA 1 1 14 3452 1 1 3 ILE CB C 3.110 3.919 -1.322 1.00 . A A . 3 ILE CB 1 1 14 3453 1 1 3 ILE CD1 C 3.451 1.582 -0.575 1.00 . A A . 3 ILE CD1 1 1 14 3454 1 1 3 ILE CG1 C 3.805 2.613 -1.646 1.00 . A A . 3 ILE CG1 1 1 14 3455 1 1 3 ILE CG2 C 3.586 4.459 0.038 1.00 . A A . 3 ILE CG2 1 1 14 3456 1 1 3 ILE H H 0.863 4.965 -2.846 1.00 . A A . 3 ILE H 1 1 14 3457 1 1 3 ILE HA H 1.413 2.855 -2.040 1.00 . A A . 3 ILE HA 1 1 14 3458 1 1 3 ILE HB H 3.338 4.638 -2.090 1.00 . A A . 3 ILE HB 1 1 14 3459 1 1 3 ILE HD11 H 4.030 0.690 -0.724 1.00 . A A . 3 ILE HD11 1 1 14 3460 1 1 3 ILE HD12 H 2.397 1.348 -0.641 1.00 . A A . 3 ILE HD12 1 1 14 3461 1 1 3 ILE HD13 H 3.664 1.995 0.401 1.00 . A A . 3 ILE HD13 1 1 14 3462 1 1 3 ILE HG12 H 3.452 2.273 -2.610 1.00 . A A . 3 ILE HG12 1 1 14 3463 1 1 3 ILE HG13 H 4.876 2.761 -1.674 1.00 . A A . 3 ILE HG13 1 1 14 3464 1 1 3 ILE HG21 H 4.247 5.299 -0.122 1.00 . A A . 3 ILE HG21 1 1 14 3465 1 1 3 ILE HG22 H 4.117 3.683 0.568 1.00 . A A . 3 ILE HG22 1 1 14 3466 1 1 3 ILE HG23 H 2.740 4.777 0.623 1.00 . A A . 3 ILE HG23 1 1 14 3467 1 1 3 ILE N N 1.058 4.920 -1.895 1.00 . A A . 3 ILE N 1 1 14 3468 1 1 3 ILE O O 1.725 2.787 0.896 1.00 . A A . 3 ILE O 1 1 14 3469 1 1 4 LYS C C -1.822 2.004 1.355 1.00 . A A . 4 LYS C 1 1 14 3470 1 1 4 LYS CA C -0.832 3.148 1.554 1.00 . A A . 4 LYS CA 1 1 14 3471 1 1 4 LYS CB C -1.517 4.417 2.024 1.00 . A A . 4 LYS CB 1 1 14 3472 1 1 4 LYS CD C -0.576 6.282 3.391 1.00 . A A . 4 LYS CD 1 1 14 3473 1 1 4 LYS CE C -1.394 7.561 3.194 1.00 . A A . 4 LYS CE 1 1 14 3474 1 1 4 LYS CG C -0.478 5.525 2.068 1.00 . A A . 4 LYS CG 1 1 14 3475 1 1 4 LYS H H -0.784 3.912 -0.446 1.00 . A A . 4 LYS H 1 1 14 3476 1 1 4 LYS HA H -0.063 2.863 2.251 1.00 . A A . 4 LYS HA 1 1 14 3477 1 1 4 LYS HB2 H -2.313 4.682 1.343 1.00 . A A . 4 LYS HB2 1 1 14 3478 1 1 4 LYS HB3 H -1.908 4.266 3.001 1.00 . A A . 4 LYS HB3 1 1 14 3479 1 1 4 LYS HD2 H -1.056 5.656 4.130 1.00 . A A . 4 LYS HD2 1 1 14 3480 1 1 4 LYS HD3 H 0.415 6.539 3.727 1.00 . A A . 4 LYS HD3 1 1 14 3481 1 1 4 LYS HE2 H -0.739 8.421 3.149 1.00 . A A . 4 LYS HE2 1 1 14 3482 1 1 4 LYS HE3 H -1.989 7.493 2.296 1.00 . A A . 4 LYS HE3 1 1 14 3483 1 1 4 LYS HG2 H 0.502 5.077 1.978 1.00 . A A . 4 LYS HG2 1 1 14 3484 1 1 4 LYS HG3 H -0.643 6.206 1.249 1.00 . A A . 4 LYS HG3 1 1 14 3485 1 1 4 LYS HZ1 H -1.709 7.862 5.229 1.00 . A A . 4 LYS HZ1 1 1 14 3486 1 1 4 LYS HZ2 H -2.757 6.726 4.525 1.00 . A A . 4 LYS HZ2 1 1 14 3487 1 1 4 LYS HZ3 H -2.988 8.386 4.247 1.00 . A A . 4 LYS HZ3 1 1 14 3488 1 1 4 LYS N N -0.230 3.514 0.249 1.00 . A A . 4 LYS N 1 1 14 3489 1 1 4 LYS NZ N -2.279 7.640 4.389 1.00 . A A . 4 LYS NZ 1 1 14 3490 1 1 4 LYS O O -1.771 1.000 2.037 1.00 . A A . 4 LYS O 1 1 14 3491 1 1 5 ILE C C -2.858 -0.111 -0.556 1.00 . A A . 5 ILE C 1 1 14 3492 1 1 5 ILE CA C -3.644 1.022 0.102 1.00 . A A . 5 ILE CA 1 1 14 3493 1 1 5 ILE CB C -4.670 1.612 -0.871 1.00 . A A . 5 ILE CB 1 1 14 3494 1 1 5 ILE CD1 C -5.445 2.857 1.163 1.00 . A A . 5 ILE CD1 1 1 14 3495 1 1 5 ILE CG1 C -5.187 2.954 -0.343 1.00 . A A . 5 ILE CG1 1 1 14 3496 1 1 5 ILE CG2 C -5.843 0.644 -1.024 1.00 . A A . 5 ILE CG2 1 1 14 3497 1 1 5 ILE H H -2.680 2.928 -0.171 1.00 . A A . 5 ILE H 1 1 14 3498 1 1 5 ILE HA H -4.125 0.685 1.007 1.00 . A A . 5 ILE HA 1 1 14 3499 1 1 5 ILE HB H -4.205 1.764 -1.832 1.00 . A A . 5 ILE HB 1 1 14 3500 1 1 5 ILE HD11 H -5.848 1.884 1.395 1.00 . A A . 5 ILE HD11 1 1 14 3501 1 1 5 ILE HD12 H -6.148 3.620 1.457 1.00 . A A . 5 ILE HD12 1 1 14 3502 1 1 5 ILE HD13 H -4.515 2.998 1.695 1.00 . A A . 5 ILE HD13 1 1 14 3503 1 1 5 ILE HG12 H -4.453 3.723 -0.534 1.00 . A A . 5 ILE HG12 1 1 14 3504 1 1 5 ILE HG13 H -6.104 3.203 -0.849 1.00 . A A . 5 ILE HG13 1 1 14 3505 1 1 5 ILE HG21 H -6.320 0.501 -0.065 1.00 . A A . 5 ILE HG21 1 1 14 3506 1 1 5 ILE HG22 H -5.482 -0.305 -1.390 1.00 . A A . 5 ILE HG22 1 1 14 3507 1 1 5 ILE HG23 H -6.558 1.052 -1.723 1.00 . A A . 5 ILE HG23 1 1 14 3508 1 1 5 ILE N N -2.686 2.128 0.389 1.00 . A A . 5 ILE N 1 1 14 3509 1 1 5 ILE O O -3.302 -1.240 -0.643 1.00 . A A . 5 ILE O 1 1 14 3510 1 1 6 TRP C C -0.007 -1.514 -0.567 1.00 . A A . 6 TRP C 1 1 14 3511 1 1 6 TRP CA C -0.789 -0.803 -1.641 1.00 . A A . 6 TRP CA 1 1 14 3512 1 1 6 TRP CB C 0.168 0.022 -2.496 1.00 . A A . 6 TRP CB 1 1 14 3513 1 1 6 TRP CD1 C -0.605 0.083 -4.841 1.00 . A A . 6 TRP CD1 1 1 14 3514 1 1 6 TRP CD2 C -1.363 1.825 -3.671 1.00 . A A . 6 TRP CD2 1 1 14 3515 1 1 6 TRP CE2 C -1.873 1.970 -4.979 1.00 . A A . 6 TRP CE2 1 1 14 3516 1 1 6 TRP CE3 C -1.686 2.799 -2.716 1.00 . A A . 6 TRP CE3 1 1 14 3517 1 1 6 TRP CG C -0.569 0.614 -3.625 1.00 . A A . 6 TRP CG 1 1 14 3518 1 1 6 TRP CH2 C -2.999 4.010 -4.373 1.00 . A A . 6 TRP CH2 1 1 14 3519 1 1 6 TRP CZ2 C -2.681 3.044 -5.332 1.00 . A A . 6 TRP CZ2 1 1 14 3520 1 1 6 TRP CZ3 C -2.503 3.888 -3.065 1.00 . A A . 6 TRP CZ3 1 1 14 3521 1 1 6 TRP H H -1.352 1.120 -0.894 1.00 . A A . 6 TRP H 1 1 14 3522 1 1 6 TRP HA H -1.351 -1.491 -2.235 1.00 . A A . 6 TRP HA 1 1 14 3523 1 1 6 TRP HB2 H 0.595 0.809 -1.901 1.00 . A A . 6 TRP HB2 1 1 14 3524 1 1 6 TRP HB3 H 0.957 -0.610 -2.873 1.00 . A A . 6 TRP HB3 1 1 14 3525 1 1 6 TRP HD1 H -0.109 -0.816 -5.117 1.00 . A A . 6 TRP HD1 1 1 14 3526 1 1 6 TRP HE1 H -1.568 0.701 -6.603 1.00 . A A . 6 TRP HE1 1 1 14 3527 1 1 6 TRP HE3 H -1.300 2.708 -1.709 1.00 . A A . 6 TRP HE3 1 1 14 3528 1 1 6 TRP HH2 H -3.626 4.847 -4.638 1.00 . A A . 6 TRP HH2 1 1 14 3529 1 1 6 TRP HZ2 H -3.057 3.129 -6.340 1.00 . A A . 6 TRP HZ2 1 1 14 3530 1 1 6 TRP HZ3 H -2.750 4.633 -2.325 1.00 . A A . 6 TRP HZ3 1 1 14 3531 1 1 6 TRP N N -1.673 0.204 -1.000 1.00 . A A . 6 TRP N 1 1 14 3532 1 1 6 TRP NE1 N -1.381 0.875 -5.659 1.00 . A A . 6 TRP NE1 1 1 14 3533 1 1 6 TRP O O -0.050 -2.719 -0.415 1.00 . A A . 6 TRP O 1 1 14 3534 1 1 7 PHE C C 0.605 -2.215 2.168 1.00 . A A . 7 PHE C 1 1 14 3535 1 1 7 PHE CA C 1.489 -1.293 1.326 1.00 . A A . 7 PHE CA 1 1 14 3536 1 1 7 PHE CB C 1.901 -0.064 2.143 1.00 . A A . 7 PHE CB 1 1 14 3537 1 1 7 PHE CD1 C 1.851 -0.779 4.559 1.00 . A A . 7 PHE CD1 1 1 14 3538 1 1 7 PHE CD2 C 3.992 -0.623 3.430 1.00 . A A . 7 PHE CD2 1 1 14 3539 1 1 7 PHE CE1 C 2.499 -1.181 5.733 1.00 . A A . 7 PHE CE1 1 1 14 3540 1 1 7 PHE CE2 C 4.640 -1.027 4.604 1.00 . A A . 7 PHE CE2 1 1 14 3541 1 1 7 PHE CG C 2.599 -0.499 3.408 1.00 . A A . 7 PHE CG 1 1 14 3542 1 1 7 PHE CZ C 3.893 -1.306 5.756 1.00 . A A . 7 PHE CZ 1 1 14 3543 1 1 7 PHE H H 0.664 0.228 0.030 1.00 . A A . 7 PHE H 1 1 14 3544 1 1 7 PHE HA H 2.360 -1.814 0.964 1.00 . A A . 7 PHE HA 1 1 14 3545 1 1 7 PHE HB2 H 2.563 0.555 1.558 1.00 . A A . 7 PHE HB2 1 1 14 3546 1 1 7 PHE HB3 H 1.019 0.504 2.401 1.00 . A A . 7 PHE HB3 1 1 14 3547 1 1 7 PHE HD1 H 0.774 -0.684 4.541 1.00 . A A . 7 PHE HD1 1 1 14 3548 1 1 7 PHE HD2 H 4.565 -0.409 2.541 1.00 . A A . 7 PHE HD2 1 1 14 3549 1 1 7 PHE HE1 H 1.923 -1.397 6.620 1.00 . A A . 7 PHE HE1 1 1 14 3550 1 1 7 PHE HE2 H 5.715 -1.123 4.622 1.00 . A A . 7 PHE HE2 1 1 14 3551 1 1 7 PHE HZ H 4.393 -1.616 6.662 1.00 . A A . 7 PHE HZ 1 1 14 3552 1 1 7 PHE N N 0.689 -0.739 0.196 1.00 . A A . 7 PHE N 1 1 14 3553 1 1 7 PHE O O 1.078 -3.053 2.909 1.00 . A A . 7 PHE O 1 1 14 3554 1 1 8 ARG C C -2.096 -4.079 2.035 1.00 . A A . 8 ARG C 1 1 14 3555 1 1 8 ARG CA C -1.632 -2.858 2.837 1.00 . A A . 8 ARG CA 1 1 14 3556 1 1 8 ARG CB C -2.774 -1.890 3.066 1.00 . A A . 8 ARG CB 1 1 14 3557 1 1 8 ARG CD C -2.532 -1.951 5.510 1.00 . A A . 8 ARG CD 1 1 14 3558 1 1 8 ARG CG C -3.489 -2.245 4.357 1.00 . A A . 8 ARG CG 1 1 14 3559 1 1 8 ARG CZ C -2.580 -0.332 7.311 1.00 . A A . 8 ARG CZ 1 1 14 3560 1 1 8 ARG H H -1.036 -1.348 1.467 1.00 . A A . 8 ARG H 1 1 14 3561 1 1 8 ARG HA H -1.206 -3.149 3.779 1.00 . A A . 8 ARG HA 1 1 14 3562 1 1 8 ARG HB2 H -2.366 -0.894 3.149 1.00 . A A . 8 ARG HB2 1 1 14 3563 1 1 8 ARG HB3 H -3.455 -1.932 2.235 1.00 . A A . 8 ARG HB3 1 1 14 3564 1 1 8 ARG HD2 H -2.349 -2.849 6.082 1.00 . A A . 8 ARG HD2 1 1 14 3565 1 1 8 ARG HD3 H -1.603 -1.550 5.122 1.00 . A A . 8 ARG HD3 1 1 14 3566 1 1 8 ARG HE H -4.160 -0.700 6.166 1.00 . A A . 8 ARG HE 1 1 14 3567 1 1 8 ARG HG2 H -4.384 -1.648 4.455 1.00 . A A . 8 ARG HG2 1 1 14 3568 1 1 8 ARG HG3 H -3.744 -3.292 4.357 1.00 . A A . 8 ARG HG3 1 1 14 3569 1 1 8 ARG HH11 H -1.161 0.414 6.112 1.00 . A A . 8 ARG HH11 1 1 14 3570 1 1 8 ARG HH12 H -1.005 0.805 7.792 1.00 . A A . 8 ARG HH12 1 1 14 3571 1 1 8 ARG HH21 H -3.847 -0.944 8.736 1.00 . A A . 8 ARG HH21 1 1 14 3572 1 1 8 ARG HH22 H -2.525 0.036 9.278 1.00 . A A . 8 ARG HH22 1 1 14 3573 1 1 8 ARG N N -0.683 -2.041 2.059 1.00 . A A . 8 ARG N 1 1 14 3574 1 1 8 ARG NE N -3.224 -0.927 6.344 1.00 . A A . 8 ARG NE 1 1 14 3575 1 1 8 ARG NH1 N -1.498 0.349 7.051 1.00 . A A . 8 ARG NH1 1 1 14 3576 1 1 8 ARG NH2 N -3.018 -0.420 8.537 1.00 . A A . 8 ARG NH2 1 1 14 3577 1 1 8 ARG O O -2.598 -5.039 2.586 1.00 . A A . 8 ARG O 1 1 14 3578 1 1 9 LYS C C -1.233 -6.196 -0.295 1.00 . A A . 9 LYS C 1 1 14 3579 1 1 9 LYS CA C -2.382 -5.202 -0.097 1.00 . A A . 9 LYS CA 1 1 14 3580 1 1 9 LYS CB C -2.797 -4.587 -1.435 1.00 . A A . 9 LYS CB 1 1 14 3581 1 1 9 LYS CD C -5.073 -5.620 -1.508 1.00 . A A . 9 LYS CD 1 1 14 3582 1 1 9 LYS CE C -6.571 -5.343 -1.362 1.00 . A A . 9 LYS CE 1 1 14 3583 1 1 9 LYS CG C -4.298 -4.302 -1.423 1.00 . A A . 9 LYS CG 1 1 14 3584 1 1 9 LYS H H -1.540 -3.261 0.311 1.00 . A A . 9 LYS H 1 1 14 3585 1 1 9 LYS HA H -3.228 -5.692 0.358 1.00 . A A . 9 LYS HA 1 1 14 3586 1 1 9 LYS HB2 H -2.258 -3.663 -1.588 1.00 . A A . 9 LYS HB2 1 1 14 3587 1 1 9 LYS HB3 H -2.569 -5.277 -2.235 1.00 . A A . 9 LYS HB3 1 1 14 3588 1 1 9 LYS HD2 H -4.883 -6.087 -2.464 1.00 . A A . 9 LYS HD2 1 1 14 3589 1 1 9 LYS HD3 H -4.752 -6.278 -0.716 1.00 . A A . 9 LYS HD3 1 1 14 3590 1 1 9 LYS HE2 H -7.093 -6.246 -1.078 1.00 . A A . 9 LYS HE2 1 1 14 3591 1 1 9 LYS HE3 H -6.740 -4.563 -0.635 1.00 . A A . 9 LYS HE3 1 1 14 3592 1 1 9 LYS HG2 H -4.556 -3.789 -0.509 1.00 . A A . 9 LYS HG2 1 1 14 3593 1 1 9 LYS HG3 H -4.554 -3.682 -2.269 1.00 . A A . 9 LYS HG3 1 1 14 3594 1 1 9 LYS HZ1 H -6.533 -3.994 -2.947 1.00 . A A . 9 LYS HZ1 1 1 14 3595 1 1 9 LYS HZ2 H -8.040 -4.740 -2.707 1.00 . A A . 9 LYS HZ2 1 1 14 3596 1 1 9 LYS HZ3 H -6.763 -5.607 -3.417 1.00 . A A . 9 LYS HZ3 1 1 14 3597 1 1 9 LYS N N -1.941 -4.046 0.738 1.00 . A A . 9 LYS N 1 1 14 3598 1 1 9 LYS NZ N -7.010 -4.887 -2.710 1.00 . A A . 9 LYS NZ 1 1 14 3599 1 1 9 LYS O O -1.366 -7.371 -0.015 1.00 . A A . 9 LYS O 1 1 14 3600 1 1 10 TRP C C 1.915 -6.691 0.263 1.00 . A A . 10 TRP C 1 1 14 3601 1 1 10 TRP CA C 1.038 -6.649 -1.002 1.00 . A A . 10 TRP CA 1 1 14 3602 1 1 10 TRP CB C 1.794 -6.021 -2.182 1.00 . A A . 10 TRP CB 1 1 14 3603 1 1 10 TRP CD1 C 1.018 -4.373 -3.911 1.00 . A A . 10 TRP CD1 1 1 14 3604 1 1 10 TRP CD2 C -0.413 -6.083 -3.674 1.00 . A A . 10 TRP CD2 1 1 14 3605 1 1 10 TRP CE2 C -0.956 -5.241 -4.666 1.00 . A A . 10 TRP CE2 1 1 14 3606 1 1 10 TRP CE3 C -1.120 -7.235 -3.332 1.00 . A A . 10 TRP CE3 1 1 14 3607 1 1 10 TRP CG C 0.844 -5.512 -3.215 1.00 . A A . 10 TRP CG 1 1 14 3608 1 1 10 TRP CH2 C -2.860 -6.692 -4.943 1.00 . A A . 10 TRP CH2 1 1 14 3609 1 1 10 TRP CZ2 C -2.165 -5.535 -5.298 1.00 . A A . 10 TRP CZ2 1 1 14 3610 1 1 10 TRP CZ3 C -2.339 -7.543 -3.959 1.00 . A A . 10 TRP CZ3 1 1 14 3611 1 1 10 TRP H H -0.017 -4.790 -1.007 1.00 . A A . 10 TRP H 1 1 14 3612 1 1 10 TRP HA H 0.695 -7.637 -1.261 1.00 . A A . 10 TRP HA 1 1 14 3613 1 1 10 TRP HB2 H 2.379 -5.190 -1.825 1.00 . A A . 10 TRP HB2 1 1 14 3614 1 1 10 TRP HB3 H 2.445 -6.757 -2.625 1.00 . A A . 10 TRP HB3 1 1 14 3615 1 1 10 TRP HD1 H 1.858 -3.698 -3.808 1.00 . A A . 10 TRP HD1 1 1 14 3616 1 1 10 TRP HE1 H -0.165 -3.477 -5.391 1.00 . A A . 10 TRP HE1 1 1 14 3617 1 1 10 TRP HE3 H -0.725 -7.885 -2.581 1.00 . A A . 10 TRP HE3 1 1 14 3618 1 1 10 TRP HH2 H -3.797 -6.930 -5.424 1.00 . A A . 10 TRP HH2 1 1 14 3619 1 1 10 TRP HZ2 H -2.559 -4.874 -6.055 1.00 . A A . 10 TRP HZ2 1 1 14 3620 1 1 10 TRP HZ3 H -2.875 -8.439 -3.684 1.00 . A A . 10 TRP HZ3 1 1 14 3621 1 1 10 TRP N N -0.110 -5.736 -0.780 1.00 . A A . 10 TRP N 1 1 14 3622 1 1 10 TRP NE1 N -0.049 -4.214 -4.775 1.00 . A A . 10 TRP NE1 1 1 14 3623 1 1 10 TRP O O 1.484 -7.125 1.314 1.00 . A A . 10 TRP O 1 1 14 3624 1 1 11 LYS C C 5.127 -5.180 1.032 1.00 . A A . 11 LYS C 1 1 14 3625 1 1 11 LYS CA C 4.047 -6.202 1.341 1.00 . A A . 11 LYS CA 1 1 14 3626 1 1 11 LYS CB C 4.640 -7.609 1.454 1.00 . A A . 11 LYS CB 1 1 14 3627 1 1 11 LYS CD C 4.213 -8.767 -0.705 1.00 . A A . 11 LYS CD 1 1 14 3628 1 1 11 LYS CE C 4.298 -8.330 -2.169 1.00 . A A . 11 LYS CE 1 1 14 3629 1 1 11 LYS CG C 5.257 -8.015 0.117 1.00 . A A . 11 LYS CG 1 1 14 3630 1 1 11 LYS H H 3.452 -5.860 -0.680 1.00 . A A . 11 LYS H 1 1 14 3631 1 1 11 LYS HA H 3.510 -5.945 2.232 1.00 . A A . 11 LYS HA 1 1 14 3632 1 1 11 LYS HB2 H 5.402 -7.617 2.219 1.00 . A A . 11 LYS HB2 1 1 14 3633 1 1 11 LYS HB3 H 3.861 -8.308 1.715 1.00 . A A . 11 LYS HB3 1 1 14 3634 1 1 11 LYS HD2 H 4.394 -9.829 -0.632 1.00 . A A . 11 LYS HD2 1 1 14 3635 1 1 11 LYS HD3 H 3.231 -8.540 -0.319 1.00 . A A . 11 LYS HD3 1 1 14 3636 1 1 11 LYS HE2 H 3.440 -8.694 -2.718 1.00 . A A . 11 LYS HE2 1 1 14 3637 1 1 11 LYS HE3 H 4.364 -7.256 -2.239 1.00 . A A . 11 LYS HE3 1 1 14 3638 1 1 11 LYS HG2 H 5.570 -7.129 -0.416 1.00 . A A . 11 LYS HG2 1 1 14 3639 1 1 11 LYS HG3 H 6.109 -8.656 0.290 1.00 . A A . 11 LYS HG3 1 1 14 3640 1 1 11 LYS HZ1 H 5.696 -8.671 -3.674 1.00 . A A . 11 LYS HZ1 1 1 14 3641 1 1 11 LYS HZ2 H 5.470 -9.989 -2.626 1.00 . A A . 11 LYS HZ2 1 1 14 3642 1 1 11 LYS HZ3 H 6.356 -8.635 -2.111 1.00 . A A . 11 LYS HZ3 1 1 14 3643 1 1 11 LYS N N 3.133 -6.224 0.170 1.00 . A A . 11 LYS N 1 1 14 3644 1 1 11 LYS NZ N 5.549 -8.954 -2.684 1.00 . A A . 11 LYS NZ 1 1 14 3645 1 1 11 LYS O O 6.295 -5.377 1.307 1.00 . A A . 11 LYS O 1 1 14 3646 1 1 12 LYS C C 6.806 -2.857 1.026 1.00 . A A . 12 LYS C 1 1 14 3647 1 1 12 LYS CA C 5.682 -3.038 -0.004 1.00 . A A . 12 LYS CA 1 1 14 3648 1 1 12 LYS CB C 4.841 -1.769 -0.101 1.00 . A A . 12 LYS CB 1 1 14 3649 1 1 12 LYS CD C 4.745 -1.858 -2.597 1.00 . A A . 12 LYS CD 1 1 14 3650 1 1 12 LYS CE C 3.971 -1.148 -3.710 1.00 . A A . 12 LYS CE 1 1 14 3651 1 1 12 LYS CG C 3.911 -1.862 -1.314 1.00 . A A . 12 LYS CG 1 1 14 3652 1 1 12 LYS H H 3.780 -4.004 0.178 1.00 . A A . 12 LYS H 1 1 14 3653 1 1 12 LYS HA H 6.082 -3.278 -0.973 1.00 . A A . 12 LYS HA 1 1 14 3654 1 1 12 LYS HB2 H 4.255 -1.654 0.798 1.00 . A A . 12 LYS HB2 1 1 14 3655 1 1 12 LYS HB3 H 5.492 -0.921 -0.216 1.00 . A A . 12 LYS HB3 1 1 14 3656 1 1 12 LYS HD2 H 5.676 -1.340 -2.418 1.00 . A A . 12 LYS HD2 1 1 14 3657 1 1 12 LYS HD3 H 4.951 -2.875 -2.896 1.00 . A A . 12 LYS HD3 1 1 14 3658 1 1 12 LYS HE2 H 3.113 -1.738 -4.004 1.00 . A A . 12 LYS HE2 1 1 14 3659 1 1 12 LYS HE3 H 3.662 -0.166 -3.386 1.00 . A A . 12 LYS HE3 1 1 14 3660 1 1 12 LYS HG2 H 3.337 -2.776 -1.260 1.00 . A A . 12 LYS HG2 1 1 14 3661 1 1 12 LYS HG3 H 3.241 -1.015 -1.321 1.00 . A A . 12 LYS HG3 1 1 14 3662 1 1 12 LYS HZ1 H 5.757 -0.469 -4.536 1.00 . A A . 12 LYS HZ1 1 1 14 3663 1 1 12 LYS HZ2 H 4.473 -0.572 -5.646 1.00 . A A . 12 LYS HZ2 1 1 14 3664 1 1 12 LYS HZ3 H 5.259 -1.983 -5.116 1.00 . A A . 12 LYS HZ3 1 1 14 3665 1 1 12 LYS N N 4.726 -4.100 0.408 1.00 . A A . 12 LYS N 1 1 14 3666 1 1 12 LYS NZ N 4.938 -1.034 -4.838 1.00 . A A . 12 LYS NZ 1 1 14 3667 1 1 12 LYS O O 6.534 -2.303 2.079 1.00 . A A . 12 LYS O 1 1 14 3668 1 1 12 LYS OXT O 7.915 -3.275 0.741 1.00 . A A . 12 LYS OXT 1 1 15 3669 1 1 1 ARG C C 1.337 8.849 -3.344 1.00 . A A . 1 ARG C 1 1 15 3670 1 1 1 ARG CA C 1.988 9.093 -4.709 1.00 . A A . 1 ARG CA 1 1 15 3671 1 1 1 ARG CB C 3.452 9.511 -4.539 1.00 . A A . 1 ARG CB 1 1 15 3672 1 1 1 ARG CD C 3.993 8.982 -6.909 1.00 . A A . 1 ARG CD 1 1 15 3673 1 1 1 ARG CG C 4.339 8.671 -5.459 1.00 . A A . 1 ARG CG 1 1 15 3674 1 1 1 ARG CZ C 4.437 10.886 -8.340 1.00 . A A . 1 ARG CZ 1 1 15 3675 1 1 1 ARG H1 H 0.398 9.955 -5.743 1.00 . A A . 1 ARG H1 1 1 15 3676 1 1 1 ARG H2 H 1.921 10.559 -6.190 1.00 . A A . 1 ARG H2 1 1 15 3677 1 1 1 ARG H3 H 1.216 11.029 -4.718 1.00 . A A . 1 ARG H3 1 1 15 3678 1 1 1 ARG HA H 1.925 8.207 -5.321 1.00 . A A . 1 ARG HA 1 1 15 3679 1 1 1 ARG HB2 H 3.560 10.556 -4.791 1.00 . A A . 1 ARG HB2 1 1 15 3680 1 1 1 ARG HB3 H 3.752 9.355 -3.519 1.00 . A A . 1 ARG HB3 1 1 15 3681 1 1 1 ARG HD2 H 4.391 8.220 -7.564 1.00 . A A . 1 ARG HD2 1 1 15 3682 1 1 1 ARG HD3 H 2.926 9.055 -7.018 1.00 . A A . 1 ARG HD3 1 1 15 3683 1 1 1 ARG HE H 5.190 10.729 -6.509 1.00 . A A . 1 ARG HE 1 1 15 3684 1 1 1 ARG HG2 H 5.378 8.905 -5.274 1.00 . A A . 1 ARG HG2 1 1 15 3685 1 1 1 ARG HG3 H 4.164 7.625 -5.270 1.00 . A A . 1 ARG HG3 1 1 15 3686 1 1 1 ARG HH11 H 2.487 11.212 -8.024 1.00 . A A . 1 ARG HH11 1 1 15 3687 1 1 1 ARG HH12 H 3.103 11.771 -9.542 1.00 . A A . 1 ARG HH12 1 1 15 3688 1 1 1 ARG HH21 H 6.342 10.696 -8.926 1.00 . A A . 1 ARG HH21 1 1 15 3689 1 1 1 ARG HH22 H 5.286 11.480 -10.054 1.00 . A A . 1 ARG HH22 1 1 15 3690 1 1 1 ARG N N 1.331 10.246 -5.391 1.00 . A A . 1 ARG N 1 1 15 3691 1 1 1 ARG NE N 4.629 10.301 -7.189 1.00 . A A . 1 ARG NE 1 1 15 3692 1 1 1 ARG NH1 N 3.251 11.323 -8.660 1.00 . A A . 1 ARG NH1 1 1 15 3693 1 1 1 ARG NH2 N 5.432 11.032 -9.172 1.00 . A A . 1 ARG NH2 1 1 15 3694 1 1 1 ARG O O 1.314 9.718 -2.494 1.00 . A A . 1 ARG O 1 1 15 3695 1 1 2 GLN C C 0.771 6.114 -1.203 1.00 . A A . 2 GLN C 1 1 15 3696 1 1 2 GLN CA C 0.160 7.373 -1.819 1.00 . A A . 2 GLN CA 1 1 15 3697 1 1 2 GLN CB C -1.317 7.152 -2.147 1.00 . A A . 2 GLN CB 1 1 15 3698 1 1 2 GLN CD C -1.929 9.533 -1.701 1.00 . A A . 2 GLN CD 1 1 15 3699 1 1 2 GLN CG C -2.177 8.082 -1.289 1.00 . A A . 2 GLN CG 1 1 15 3700 1 1 2 GLN H H 0.840 6.987 -3.829 1.00 . A A . 2 GLN H 1 1 15 3701 1 1 2 GLN HA H 0.269 8.206 -1.148 1.00 . A A . 2 GLN HA 1 1 15 3702 1 1 2 GLN HB2 H -1.491 7.364 -3.194 1.00 . A A . 2 GLN HB2 1 1 15 3703 1 1 2 GLN HB3 H -1.584 6.126 -1.937 1.00 . A A . 2 GLN HB3 1 1 15 3704 1 1 2 GLN HE21 H -1.833 10.189 0.173 1.00 . A A . 2 GLN HE21 1 1 15 3705 1 1 2 GLN HE22 H -1.622 11.378 -1.031 1.00 . A A . 2 GLN HE22 1 1 15 3706 1 1 2 GLN HG2 H -3.220 7.840 -1.430 1.00 . A A . 2 GLN HG2 1 1 15 3707 1 1 2 GLN HG3 H -1.913 7.956 -0.248 1.00 . A A . 2 GLN HG3 1 1 15 3708 1 1 2 GLN N N 0.809 7.673 -3.129 1.00 . A A . 2 GLN N 1 1 15 3709 1 1 2 GLN NE2 N -1.783 10.442 -0.777 1.00 . A A . 2 GLN NE2 1 1 15 3710 1 1 2 GLN O O 1.088 6.082 -0.034 1.00 . A A . 2 GLN O 1 1 15 3711 1 1 2 GLN OE1 O -1.868 9.843 -2.874 1.00 . A A . 2 GLN OE1 1 1 15 3712 1 1 3 ILE C C 1.078 3.427 -0.100 1.00 . A A . 3 ILE C 1 1 15 3713 1 1 3 ILE CA C 1.568 3.835 -1.503 1.00 . A A . 3 ILE CA 1 1 15 3714 1 1 3 ILE CB C 3.064 4.125 -1.554 1.00 . A A . 3 ILE CB 1 1 15 3715 1 1 3 ILE CD1 C 3.477 1.772 -0.889 1.00 . A A . 3 ILE CD1 1 1 15 3716 1 1 3 ILE CG1 C 3.766 2.839 -1.945 1.00 . A A . 3 ILE CG1 1 1 15 3717 1 1 3 ILE CG2 C 3.603 4.644 -0.212 1.00 . A A . 3 ILE CG2 1 1 15 3718 1 1 3 ILE H H 0.727 5.161 -2.934 1.00 . A A . 3 ILE H 1 1 15 3719 1 1 3 ILE HA H 1.351 3.041 -2.200 1.00 . A A . 3 ILE HA 1 1 15 3720 1 1 3 ILE HB H 3.237 4.864 -2.318 1.00 . A A . 3 ILE HB 1 1 15 3721 1 1 3 ILE HD11 H 2.422 1.534 -0.902 1.00 . A A . 3 ILE HD11 1 1 15 3722 1 1 3 ILE HD12 H 3.745 2.155 0.086 1.00 . A A . 3 ILE HD12 1 1 15 3723 1 1 3 ILE HD13 H 4.050 0.888 -1.101 1.00 . A A . 3 ILE HD13 1 1 15 3724 1 1 3 ILE HG12 H 3.375 2.519 -2.902 1.00 . A A . 3 ILE HG12 1 1 15 3725 1 1 3 ILE HG13 H 4.831 3.006 -2.017 1.00 . A A . 3 ILE HG13 1 1 15 3726 1 1 3 ILE HG21 H 2.789 5.018 0.387 1.00 . A A . 3 ILE HG21 1 1 15 3727 1 1 3 ILE HG22 H 4.308 5.442 -0.394 1.00 . A A . 3 ILE HG22 1 1 15 3728 1 1 3 ILE HG23 H 4.097 3.841 0.313 1.00 . A A . 3 ILE HG23 1 1 15 3729 1 1 3 ILE N N 0.960 5.094 -1.994 1.00 . A A . 3 ILE N 1 1 15 3730 1 1 3 ILE O O 1.827 2.922 0.713 1.00 . A A . 3 ILE O 1 1 15 3731 1 1 4 LYS C C -1.684 2.055 1.332 1.00 . A A . 4 LYS C 1 1 15 3732 1 1 4 LYS CA C -0.701 3.208 1.510 1.00 . A A . 4 LYS CA 1 1 15 3733 1 1 4 LYS CB C -1.377 4.454 2.050 1.00 . A A . 4 LYS CB 1 1 15 3734 1 1 4 LYS CD C -0.353 6.206 3.508 1.00 . A A . 4 LYS CD 1 1 15 3735 1 1 4 LYS CE C -0.606 7.711 3.378 1.00 . A A . 4 LYS CE 1 1 15 3736 1 1 4 LYS CG C -0.341 5.561 2.121 1.00 . A A . 4 LYS CG 1 1 15 3737 1 1 4 LYS H H -0.776 4.012 -0.472 1.00 . A A . 4 LYS H 1 1 15 3738 1 1 4 LYS HA H 0.109 2.915 2.156 1.00 . A A . 4 LYS HA 1 1 15 3739 1 1 4 LYS HB2 H -2.188 4.745 1.400 1.00 . A A . 4 LYS HB2 1 1 15 3740 1 1 4 LYS HB3 H -1.746 4.257 3.027 1.00 . A A . 4 LYS HB3 1 1 15 3741 1 1 4 LYS HD2 H -1.132 5.760 4.110 1.00 . A A . 4 LYS HD2 1 1 15 3742 1 1 4 LYS HD3 H 0.603 6.045 3.979 1.00 . A A . 4 LYS HD3 1 1 15 3743 1 1 4 LYS HE2 H 0.042 8.259 4.048 1.00 . A A . 4 LYS HE2 1 1 15 3744 1 1 4 LYS HE3 H -0.455 8.033 2.359 1.00 . A A . 4 LYS HE3 1 1 15 3745 1 1 4 LYS HG2 H 0.631 5.129 1.932 1.00 . A A . 4 LYS HG2 1 1 15 3746 1 1 4 LYS HG3 H -0.558 6.306 1.372 1.00 . A A . 4 LYS HG3 1 1 15 3747 1 1 4 LYS HZ1 H -2.637 7.307 3.155 1.00 . A A . 4 LYS HZ1 1 1 15 3748 1 1 4 LYS HZ2 H -2.296 8.896 3.652 1.00 . A A . 4 LYS HZ2 1 1 15 3749 1 1 4 LYS HZ3 H -2.163 7.611 4.755 1.00 . A A . 4 LYS HZ3 1 1 15 3750 1 1 4 LYS N N -0.176 3.615 0.184 1.00 . A A . 4 LYS N 1 1 15 3751 1 1 4 LYS NZ N -2.033 7.895 3.765 1.00 . A A . 4 LYS NZ 1 1 15 3752 1 1 4 LYS O O -1.595 1.042 1.995 1.00 . A A . 4 LYS O 1 1 15 3753 1 1 5 ILE C C -2.770 -0.037 -0.585 1.00 . A A . 5 ILE C 1 1 15 3754 1 1 5 ILE CA C -3.540 1.072 0.133 1.00 . A A . 5 ILE CA 1 1 15 3755 1 1 5 ILE CB C -4.617 1.669 -0.779 1.00 . A A . 5 ILE CB 1 1 15 3756 1 1 5 ILE CD1 C -5.305 2.879 1.308 1.00 . A A . 5 ILE CD1 1 1 15 3757 1 1 5 ILE CG1 C -5.119 2.999 -0.206 1.00 . A A . 5 ILE CG1 1 1 15 3758 1 1 5 ILE CG2 C -5.790 0.693 -0.890 1.00 . A A . 5 ILE CG2 1 1 15 3759 1 1 5 ILE H H -2.610 2.992 -0.146 1.00 . A A . 5 ILE H 1 1 15 3760 1 1 5 ILE HA H -3.976 0.708 1.051 1.00 . A A . 5 ILE HA 1 1 15 3761 1 1 5 ILE HB H -4.201 1.839 -1.758 1.00 . A A . 5 ILE HB 1 1 15 3762 1 1 5 ILE HD11 H -5.993 3.636 1.648 1.00 . A A . 5 ILE HD11 1 1 15 3763 1 1 5 ILE HD12 H -4.350 3.013 1.797 1.00 . A A . 5 ILE HD12 1 1 15 3764 1 1 5 ILE HD13 H -5.696 1.900 1.545 1.00 . A A . 5 ILE HD13 1 1 15 3765 1 1 5 ILE HG12 H -4.400 3.776 -0.420 1.00 . A A . 5 ILE HG12 1 1 15 3766 1 1 5 ILE HG13 H -6.062 3.248 -0.664 1.00 . A A . 5 ILE HG13 1 1 15 3767 1 1 5 ILE HG21 H -6.182 0.488 0.095 1.00 . A A . 5 ILE HG21 1 1 15 3768 1 1 5 ILE HG22 H -5.450 -0.228 -1.341 1.00 . A A . 5 ILE HG22 1 1 15 3769 1 1 5 ILE HG23 H -6.564 1.129 -1.503 1.00 . A A . 5 ILE HG23 1 1 15 3770 1 1 5 ILE N N -2.586 2.184 0.402 1.00 . A A . 5 ILE N 1 1 15 3771 1 1 5 ILE O O -3.203 -1.169 -0.678 1.00 . A A . 5 ILE O 1 1 15 3772 1 1 6 TRP C C 0.100 -1.394 -0.751 1.00 . A A . 6 TRP C 1 1 15 3773 1 1 6 TRP CA C -0.741 -0.675 -1.775 1.00 . A A . 6 TRP CA 1 1 15 3774 1 1 6 TRP CB C 0.166 0.183 -2.653 1.00 . A A . 6 TRP CB 1 1 15 3775 1 1 6 TRP CD1 C -0.687 0.272 -4.972 1.00 . A A . 6 TRP CD1 1 1 15 3776 1 1 6 TRP CD2 C -1.448 1.969 -3.740 1.00 . A A . 6 TRP CD2 1 1 15 3777 1 1 6 TRP CE2 C -2.006 2.127 -5.028 1.00 . A A . 6 TRP CE2 1 1 15 3778 1 1 6 TRP CE3 C -1.764 2.913 -2.754 1.00 . A A . 6 TRP CE3 1 1 15 3779 1 1 6 TRP CG C -0.624 0.778 -3.746 1.00 . A A . 6 TRP CG 1 1 15 3780 1 1 6 TRP CH2 C -3.162 4.124 -4.340 1.00 . A A . 6 TRP CH2 1 1 15 3781 1 1 6 TRP CZ2 C -2.852 3.187 -5.331 1.00 . A A . 6 TRP CZ2 1 1 15 3782 1 1 6 TRP CZ3 C -2.619 3.988 -3.052 1.00 . A A . 6 TRP CZ3 1 1 15 3783 1 1 6 TRP H H -1.295 1.223 -0.957 1.00 . A A . 6 TRP H 1 1 15 3784 1 1 6 TRP HA H -1.318 -1.359 -2.357 1.00 . A A . 6 TRP HA 1 1 15 3785 1 1 6 TRP HB2 H 0.600 0.970 -2.064 1.00 . A A . 6 TRP HB2 1 1 15 3786 1 1 6 TRP HB3 H 0.954 -0.427 -3.069 1.00 . A A . 6 TRP HB3 1 1 15 3787 1 1 6 TRP HD1 H -0.176 -0.609 -5.285 1.00 . A A . 6 TRP HD1 1 1 15 3788 1 1 6 TRP HE1 H -1.723 0.900 -6.687 1.00 . A A . 6 TRP HE1 1 1 15 3789 1 1 6 TRP HE3 H -1.343 2.812 -1.762 1.00 . A A . 6 TRP HE3 1 1 15 3790 1 1 6 TRP HH2 H -3.818 4.950 -4.566 1.00 . A A . 6 TRP HH2 1 1 15 3791 1 1 6 TRP HZ2 H -3.264 3.283 -6.322 1.00 . A A . 6 TRP HZ2 1 1 15 3792 1 1 6 TRP HZ3 H -2.861 4.711 -2.288 1.00 . A A . 6 TRP HZ3 1 1 15 3793 1 1 6 TRP N N -1.608 0.306 -1.072 1.00 . A A . 6 TRP N 1 1 15 3794 1 1 6 TRP NE1 N -1.509 1.060 -5.747 1.00 . A A . 6 TRP NE1 1 1 15 3795 1 1 6 TRP O O 0.077 -2.601 -0.619 1.00 . A A . 6 TRP O 1 1 15 3796 1 1 7 PHE C C 0.846 -2.128 1.944 1.00 . A A . 7 PHE C 1 1 15 3797 1 1 7 PHE CA C 1.684 -1.189 1.071 1.00 . A A . 7 PHE CA 1 1 15 3798 1 1 7 PHE CB C 2.129 0.030 1.885 1.00 . A A . 7 PHE CB 1 1 15 3799 1 1 7 PHE CD1 C 2.277 -0.781 4.266 1.00 . A A . 7 PHE CD1 1 1 15 3800 1 1 7 PHE CD2 C 4.326 -0.482 3.005 1.00 . A A . 7 PHE CD2 1 1 15 3801 1 1 7 PHE CE1 C 3.020 -1.200 5.375 1.00 . A A . 7 PHE CE1 1 1 15 3802 1 1 7 PHE CE2 C 5.070 -0.900 4.114 1.00 . A A . 7 PHE CE2 1 1 15 3803 1 1 7 PHE CG C 2.931 -0.422 3.081 1.00 . A A . 7 PHE CG 1 1 15 3804 1 1 7 PHE CZ C 4.417 -1.259 5.300 1.00 . A A . 7 PHE CZ 1 1 15 3805 1 1 7 PHE H H 0.780 0.346 -0.156 1.00 . A A . 7 PHE H 1 1 15 3806 1 1 7 PHE HA H 2.538 -1.700 0.659 1.00 . A A . 7 PHE HA 1 1 15 3807 1 1 7 PHE HB2 H 2.732 0.678 1.267 1.00 . A A . 7 PHE HB2 1 1 15 3808 1 1 7 PHE HB3 H 1.257 0.570 2.223 1.00 . A A . 7 PHE HB3 1 1 15 3809 1 1 7 PHE HD1 H 1.197 -0.735 4.324 1.00 . A A . 7 PHE HD1 1 1 15 3810 1 1 7 PHE HD2 H 4.827 -0.205 2.091 1.00 . A A . 7 PHE HD2 1 1 15 3811 1 1 7 PHE HE1 H 2.517 -1.476 6.290 1.00 . A A . 7 PHE HE1 1 1 15 3812 1 1 7 PHE HE2 H 6.147 -0.946 4.056 1.00 . A A . 7 PHE HE2 1 1 15 3813 1 1 7 PHE HZ H 4.991 -1.582 6.156 1.00 . A A . 7 PHE HZ 1 1 15 3814 1 1 7 PHE N N 0.824 -0.624 -0.008 1.00 . A A . 7 PHE N 1 1 15 3815 1 1 7 PHE O O 1.361 -2.965 2.659 1.00 . A A . 7 PHE O 1 1 15 3816 1 1 8 ARG C C -1.890 -3.986 1.906 1.00 . A A . 8 ARG C 1 1 15 3817 1 1 8 ARG CA C -1.352 -2.797 2.710 1.00 . A A . 8 ARG CA 1 1 15 3818 1 1 8 ARG CB C -2.461 -1.821 3.047 1.00 . A A . 8 ARG CB 1 1 15 3819 1 1 8 ARG CD C -2.033 -1.959 5.465 1.00 . A A . 8 ARG CD 1 1 15 3820 1 1 8 ARG CG C -3.082 -2.197 4.382 1.00 . A A . 8 ARG CG 1 1 15 3821 1 1 8 ARG CZ C -2.182 -0.837 7.606 1.00 . A A . 8 ARG CZ 1 1 15 3822 1 1 8 ARG H H -0.833 -1.271 1.326 1.00 . A A . 8 ARG H 1 1 15 3823 1 1 8 ARG HA H -0.867 -3.122 3.611 1.00 . A A . 8 ARG HA 1 1 15 3824 1 1 8 ARG HB2 H -2.035 -0.832 3.123 1.00 . A A . 8 ARG HB2 1 1 15 3825 1 1 8 ARG HB3 H -3.203 -1.834 2.269 1.00 . A A . 8 ARG HB3 1 1 15 3826 1 1 8 ARG HD2 H -1.808 -2.881 5.980 1.00 . A A . 8 ARG HD2 1 1 15 3827 1 1 8 ARG HD3 H -1.136 -1.542 5.019 1.00 . A A . 8 ARG HD3 1 1 15 3828 1 1 8 ARG HE H -3.403 -0.421 6.098 1.00 . A A . 8 ARG HE 1 1 15 3829 1 1 8 ARG HG2 H -3.951 -1.582 4.567 1.00 . A A . 8 ARG HG2 1 1 15 3830 1 1 8 ARG HG3 H -3.363 -3.238 4.373 1.00 . A A . 8 ARG HG3 1 1 15 3831 1 1 8 ARG HH11 H -2.660 -2.701 8.160 1.00 . A A . 8 ARG HH11 1 1 15 3832 1 1 8 ARG HH12 H -1.893 -1.733 9.374 1.00 . A A . 8 ARG HH12 1 1 15 3833 1 1 8 ARG HH21 H -1.596 1.056 7.336 1.00 . A A . 8 ARG HH21 1 1 15 3834 1 1 8 ARG HH22 H -1.290 0.395 8.908 1.00 . A A . 8 ARG HH22 1 1 15 3835 1 1 8 ARG N N -0.447 -1.966 1.895 1.00 . A A . 8 ARG N 1 1 15 3836 1 1 8 ARG NE N -2.648 -0.971 6.395 1.00 . A A . 8 ARG NE 1 1 15 3837 1 1 8 ARG NH1 N -2.250 -1.835 8.445 1.00 . A A . 8 ARG NH1 1 1 15 3838 1 1 8 ARG NH2 N -1.647 0.293 7.979 1.00 . A A . 8 ARG NH2 1 1 15 3839 1 1 8 ARG O O -2.411 -4.934 2.460 1.00 . A A . 8 ARG O 1 1 15 3840 1 1 9 LYS C C -1.268 -6.217 -0.253 1.00 . A A . 9 LYS C 1 1 15 3841 1 1 9 LYS CA C -2.284 -5.073 -0.229 1.00 . A A . 9 LYS CA 1 1 15 3842 1 1 9 LYS CB C -2.459 -4.483 -1.629 1.00 . A A . 9 LYS CB 1 1 15 3843 1 1 9 LYS CD C -4.759 -5.402 -1.962 1.00 . A A . 9 LYS CD 1 1 15 3844 1 1 9 LYS CE C -6.196 -5.047 -2.354 1.00 . A A . 9 LYS CE 1 1 15 3845 1 1 9 LYS CG C -3.928 -4.123 -1.855 1.00 . A A . 9 LYS CG 1 1 15 3846 1 1 9 LYS H H -1.353 -3.171 0.175 1.00 . A A . 9 LYS H 1 1 15 3847 1 1 9 LYS HA H -3.233 -5.419 0.147 1.00 . A A . 9 LYS HA 1 1 15 3848 1 1 9 LYS HB2 H -1.853 -3.591 -1.722 1.00 . A A . 9 LYS HB2 1 1 15 3849 1 1 9 LYS HB3 H -2.151 -5.209 -2.368 1.00 . A A . 9 LYS HB3 1 1 15 3850 1 1 9 LYS HD2 H -4.330 -6.049 -2.712 1.00 . A A . 9 LYS HD2 1 1 15 3851 1 1 9 LYS HD3 H -4.765 -5.910 -1.008 1.00 . A A . 9 LYS HD3 1 1 15 3852 1 1 9 LYS HE2 H -6.783 -4.832 -1.471 1.00 . A A . 9 LYS HE2 1 1 15 3853 1 1 9 LYS HE3 H -6.205 -4.204 -3.027 1.00 . A A . 9 LYS HE3 1 1 15 3854 1 1 9 LYS HG2 H -4.282 -3.530 -1.024 1.00 . A A . 9 LYS HG2 1 1 15 3855 1 1 9 LYS HG3 H -4.024 -3.556 -2.768 1.00 . A A . 9 LYS HG3 1 1 15 3856 1 1 9 LYS HZ1 H -7.711 -6.108 -3.308 1.00 . A A . 9 LYS HZ1 1 1 15 3857 1 1 9 LYS HZ2 H -6.645 -7.078 -2.408 1.00 . A A . 9 LYS HZ2 1 1 15 3858 1 1 9 LYS HZ3 H -6.157 -6.436 -3.904 1.00 . A A . 9 LYS HZ3 1 1 15 3859 1 1 9 LYS N N -1.773 -3.945 0.604 1.00 . A A . 9 LYS N 1 1 15 3860 1 1 9 LYS NZ N -6.717 -6.258 -3.046 1.00 . A A . 9 LYS NZ 1 1 15 3861 1 1 9 LYS O O -1.563 -7.328 0.144 1.00 . A A . 9 LYS O 1 1 15 3862 1 1 10 TRP C C 1.743 -7.030 0.550 1.00 . A A . 10 TRP C 1 1 15 3863 1 1 10 TRP CA C 0.958 -7.016 -0.773 1.00 . A A . 10 TRP CA 1 1 15 3864 1 1 10 TRP CB C 1.855 -6.604 -1.949 1.00 . A A . 10 TRP CB 1 1 15 3865 1 1 10 TRP CD1 C 1.391 -5.064 -3.876 1.00 . A A . 10 TRP CD1 1 1 15 3866 1 1 10 TRP CD2 C -0.249 -6.565 -3.583 1.00 . A A . 10 TRP CD2 1 1 15 3867 1 1 10 TRP CE2 C -0.625 -5.772 -4.687 1.00 . A A . 10 TRP CE2 1 1 15 3868 1 1 10 TRP CE3 C -1.109 -7.587 -3.186 1.00 . A A . 10 TRP CE3 1 1 15 3869 1 1 10 TRP CG C 1.038 -6.099 -3.091 1.00 . A A . 10 TRP CG 1 1 15 3870 1 1 10 TRP CH2 C -2.670 -7.016 -4.962 1.00 . A A . 10 TRP CH2 1 1 15 3871 1 1 10 TRP CZ2 C -1.819 -5.989 -5.373 1.00 . A A . 10 TRP CZ2 1 1 15 3872 1 1 10 TRP CZ3 C -2.315 -7.816 -3.868 1.00 . A A . 10 TRP CZ3 1 1 15 3873 1 1 10 TRP H H 0.145 -5.058 -1.033 1.00 . A A . 10 TRP H 1 1 15 3874 1 1 10 TRP HA H 0.510 -7.978 -0.962 1.00 . A A . 10 TRP HA 1 1 15 3875 1 1 10 TRP HB2 H 2.512 -5.812 -1.630 1.00 . A A . 10 TRP HB2 1 1 15 3876 1 1 10 TRP HB3 H 2.440 -7.450 -2.271 1.00 . A A . 10 TRP HB3 1 1 15 3877 1 1 10 TRP HD1 H 2.299 -4.482 -3.777 1.00 . A A . 10 TRP HD1 1 1 15 3878 1 1 10 TRP HE1 H 0.418 -4.195 -5.516 1.00 . A A . 10 TRP HE1 1 1 15 3879 1 1 10 TRP HE3 H -0.842 -8.197 -2.350 1.00 . A A . 10 TRP HE3 1 1 15 3880 1 1 10 TRP HH2 H -3.598 -7.194 -5.485 1.00 . A A . 10 TRP HH2 1 1 15 3881 1 1 10 TRP HZ2 H -2.084 -5.367 -6.216 1.00 . A A . 10 TRP HZ2 1 1 15 3882 1 1 10 TRP HZ3 H -2.973 -8.612 -3.548 1.00 . A A . 10 TRP HZ3 1 1 15 3883 1 1 10 TRP N N -0.077 -5.955 -0.716 1.00 . A A . 10 TRP N 1 1 15 3884 1 1 10 TRP NE1 N 0.406 -4.873 -4.826 1.00 . A A . 10 TRP NE1 1 1 15 3885 1 1 10 TRP O O 1.201 -7.312 1.601 1.00 . A A . 10 TRP O 1 1 15 3886 1 1 11 LYS C C 5.033 -5.773 1.436 1.00 . A A . 11 LYS C 1 1 15 3887 1 1 11 LYS CA C 3.838 -6.665 1.736 1.00 . A A . 11 LYS CA 1 1 15 3888 1 1 11 LYS CB C 4.284 -8.105 2.004 1.00 . A A . 11 LYS CB 1 1 15 3889 1 1 11 LYS CD C 3.541 -9.625 0.180 1.00 . A A . 11 LYS CD 1 1 15 3890 1 1 11 LYS CE C 3.454 -9.510 -1.345 1.00 . A A . 11 LYS CE 1 1 15 3891 1 1 11 LYS CG C 4.702 -8.775 0.695 1.00 . A A . 11 LYS CG 1 1 15 3892 1 1 11 LYS H H 3.422 -6.461 -0.343 1.00 . A A . 11 LYS H 1 1 15 3893 1 1 11 LYS HA H 3.268 -6.286 2.564 1.00 . A A . 11 LYS HA 1 1 15 3894 1 1 11 LYS HB2 H 5.119 -8.101 2.689 1.00 . A A . 11 LYS HB2 1 1 15 3895 1 1 11 LYS HB3 H 3.464 -8.655 2.441 1.00 . A A . 11 LYS HB3 1 1 15 3896 1 1 11 LYS HD2 H 3.701 -10.657 0.457 1.00 . A A . 11 LYS HD2 1 1 15 3897 1 1 11 LYS HD3 H 2.621 -9.271 0.620 1.00 . A A . 11 LYS HD3 1 1 15 3898 1 1 11 LYS HE2 H 2.428 -9.349 -1.649 1.00 . A A . 11 LYS HE2 1 1 15 3899 1 1 11 LYS HE3 H 4.083 -8.709 -1.700 1.00 . A A . 11 LYS HE3 1 1 15 3900 1 1 11 LYS HG2 H 4.947 -8.015 -0.032 1.00 . A A . 11 LYS HG2 1 1 15 3901 1 1 11 LYS HG3 H 5.561 -9.404 0.867 1.00 . A A . 11 LYS HG3 1 1 15 3902 1 1 11 LYS HZ1 H 3.982 -10.793 -2.897 1.00 . A A . 11 LYS HZ1 1 1 15 3903 1 1 11 LYS HZ2 H 3.311 -11.577 -1.547 1.00 . A A . 11 LYS HZ2 1 1 15 3904 1 1 11 LYS HZ3 H 4.906 -10.994 -1.488 1.00 . A A . 11 LYS HZ3 1 1 15 3905 1 1 11 LYS N N 3.008 -6.704 0.507 1.00 . A A . 11 LYS N 1 1 15 3906 1 1 11 LYS NZ N 3.951 -10.817 -1.858 1.00 . A A . 11 LYS NZ 1 1 15 3907 1 1 11 LYS O O 6.134 -6.002 1.897 1.00 . A A . 11 LYS O 1 1 15 3908 1 1 12 LYS C C 6.892 -3.598 1.335 1.00 . A A . 12 LYS C 1 1 15 3909 1 1 12 LYS CA C 5.890 -3.849 0.199 1.00 . A A . 12 LYS CA 1 1 15 3910 1 1 12 LYS CB C 5.170 -2.553 -0.176 1.00 . A A . 12 LYS CB 1 1 15 3911 1 1 12 LYS CD C 5.238 -3.169 -2.602 1.00 . A A . 12 LYS CD 1 1 15 3912 1 1 12 LYS CE C 4.680 -4.415 -3.296 1.00 . A A . 12 LYS CE 1 1 15 3913 1 1 12 LYS CG C 4.326 -2.772 -1.437 1.00 . A A . 12 LYS CG 1 1 15 3914 1 1 12 LYS H H 3.913 -4.649 0.245 1.00 . A A . 12 LYS H 1 1 15 3915 1 1 12 LYS HA H 6.381 -4.252 -0.666 1.00 . A A . 12 LYS HA 1 1 15 3916 1 1 12 LYS HB2 H 4.530 -2.248 0.638 1.00 . A A . 12 LYS HB2 1 1 15 3917 1 1 12 LYS HB3 H 5.901 -1.784 -0.365 1.00 . A A . 12 LYS HB3 1 1 15 3918 1 1 12 LYS HD2 H 5.293 -2.356 -3.310 1.00 . A A . 12 LYS HD2 1 1 15 3919 1 1 12 LYS HD3 H 6.223 -3.384 -2.225 1.00 . A A . 12 LYS HD3 1 1 15 3920 1 1 12 LYS HE2 H 3.974 -4.919 -2.651 1.00 . A A . 12 LYS HE2 1 1 15 3921 1 1 12 LYS HE3 H 4.214 -4.148 -4.232 1.00 . A A . 12 LYS HE3 1 1 15 3922 1 1 12 LYS HG2 H 3.605 -3.554 -1.257 1.00 . A A . 12 LYS HG2 1 1 15 3923 1 1 12 LYS HG3 H 3.809 -1.857 -1.686 1.00 . A A . 12 LYS HG3 1 1 15 3924 1 1 12 LYS HZ1 H 5.564 -6.159 -4.011 1.00 . A A . 12 LYS HZ1 1 1 15 3925 1 1 12 LYS HZ2 H 6.329 -5.503 -2.642 1.00 . A A . 12 LYS HZ2 1 1 15 3926 1 1 12 LYS HZ3 H 6.537 -4.778 -4.164 1.00 . A A . 12 LYS HZ3 1 1 15 3927 1 1 12 LYS N N 4.808 -4.774 0.616 1.00 . A A . 12 LYS N 1 1 15 3928 1 1 12 LYS NZ N 5.867 -5.278 -3.547 1.00 . A A . 12 LYS NZ 1 1 15 3929 1 1 12 LYS O O 6.639 -2.715 2.139 1.00 . A A . 12 LYS O 1 1 15 3930 1 1 12 LYS OXT O 7.893 -4.294 1.380 1.00 . A A . 12 LYS OXT 1 1 16 3931 1 1 1 ARG C C 1.909 8.498 -3.130 1.00 . A A . 1 ARG C 1 1 16 3932 1 1 1 ARG CA C 2.775 8.649 -4.386 1.00 . A A . 1 ARG CA 1 1 16 3933 1 1 1 ARG CB C 3.471 10.015 -4.403 1.00 . A A . 1 ARG CB 1 1 16 3934 1 1 1 ARG CD C 2.306 11.779 -5.739 1.00 . A A . 1 ARG CD 1 1 16 3935 1 1 1 ARG CG C 2.441 11.141 -4.359 1.00 . A A . 1 ARG CG 1 1 16 3936 1 1 1 ARG CZ C 1.142 10.879 -7.661 1.00 . A A . 1 ARG CZ 1 1 16 3937 1 1 1 ARG H1 H 1.781 7.633 -5.909 1.00 . A A . 1 ARG H1 1 1 16 3938 1 1 1 ARG H2 H 2.382 9.153 -6.372 1.00 . A A . 1 ARG H2 1 1 16 3939 1 1 1 ARG H3 H 0.995 9.043 -5.395 1.00 . A A . 1 ARG H3 1 1 16 3940 1 1 1 ARG HA H 3.511 7.863 -4.427 1.00 . A A . 1 ARG HA 1 1 16 3941 1 1 1 ARG HB2 H 4.120 10.095 -3.544 1.00 . A A . 1 ARG HB2 1 1 16 3942 1 1 1 ARG HB3 H 4.056 10.114 -5.296 1.00 . A A . 1 ARG HB3 1 1 16 3943 1 1 1 ARG HD2 H 2.122 12.841 -5.641 1.00 . A A . 1 ARG HD2 1 1 16 3944 1 1 1 ARG HD3 H 3.196 11.604 -6.309 1.00 . A A . 1 ARG HD3 1 1 16 3945 1 1 1 ARG HE H 0.370 10.839 -5.832 1.00 . A A . 1 ARG HE 1 1 16 3946 1 1 1 ARG HG2 H 1.485 10.757 -4.038 1.00 . A A . 1 ARG HG2 1 1 16 3947 1 1 1 ARG HG3 H 2.784 11.883 -3.673 1.00 . A A . 1 ARG HG3 1 1 16 3948 1 1 1 ARG HH11 H 1.737 12.729 -8.143 1.00 . A A . 1 ARG HH11 1 1 16 3949 1 1 1 ARG HH12 H 1.479 11.654 -9.476 1.00 . A A . 1 ARG HH12 1 1 16 3950 1 1 1 ARG HH21 H 0.548 8.976 -7.480 1.00 . A A . 1 ARG HH21 1 1 16 3951 1 1 1 ARG HH22 H 0.806 9.529 -9.101 1.00 . A A . 1 ARG HH22 1 1 16 3952 1 1 1 ARG N N 1.919 8.618 -5.608 1.00 . A A . 1 ARG N 1 1 16 3953 1 1 1 ARG NE N 1.140 11.107 -6.377 1.00 . A A . 1 ARG NE 1 1 16 3954 1 1 1 ARG NH1 N 1.479 11.828 -8.491 1.00 . A A . 1 ARG NH1 1 1 16 3955 1 1 1 ARG NH2 N 0.805 9.703 -8.117 1.00 . A A . 1 ARG NH2 1 1 16 3956 1 1 1 ARG O O 1.827 9.391 -2.309 1.00 . A A . 1 ARG O 1 1 16 3957 1 1 2 GLN C C 0.871 5.935 -0.997 1.00 . A A . 2 GLN C 1 1 16 3958 1 1 2 GLN CA C 0.401 7.163 -1.775 1.00 . A A . 2 GLN CA 1 1 16 3959 1 1 2 GLN CB C -1.006 6.941 -2.329 1.00 . A A . 2 GLN CB 1 1 16 3960 1 1 2 GLN CD C -1.667 9.345 -2.197 1.00 . A A . 2 GLN CD 1 1 16 3961 1 1 2 GLN CG C -1.970 7.936 -1.687 1.00 . A A . 2 GLN CG 1 1 16 3962 1 1 2 GLN H H 1.343 6.666 -3.650 1.00 . A A . 2 GLN H 1 1 16 3963 1 1 2 GLN HA H 0.419 8.033 -1.143 1.00 . A A . 2 GLN HA 1 1 16 3964 1 1 2 GLN HB2 H -0.999 7.086 -3.401 1.00 . A A . 2 GLN HB2 1 1 16 3965 1 1 2 GLN HB3 H -1.328 5.936 -2.101 1.00 . A A . 2 GLN HB3 1 1 16 3966 1 1 2 GLN HE21 H -1.296 10.069 -0.383 1.00 . A A . 2 GLN HE21 1 1 16 3967 1 1 2 GLN HE22 H -1.145 11.187 -1.662 1.00 . A A . 2 GLN HE22 1 1 16 3968 1 1 2 GLN HG2 H -2.984 7.667 -1.948 1.00 . A A . 2 GLN HG2 1 1 16 3969 1 1 2 GLN HG3 H -1.852 7.909 -0.614 1.00 . A A . 2 GLN HG3 1 1 16 3970 1 1 2 GLN N N 1.263 7.373 -2.976 1.00 . A A . 2 GLN N 1 1 16 3971 1 1 2 GLN NE2 N -1.343 10.277 -1.344 1.00 . A A . 2 GLN NE2 1 1 16 3972 1 1 2 GLN O O 0.938 5.948 0.213 1.00 . A A . 2 GLN O 1 1 16 3973 1 1 2 GLN OE1 O -1.724 9.601 -3.383 1.00 . A A . 2 GLN OE1 1 1 16 3974 1 1 3 ILE C C 0.962 3.320 0.268 1.00 . A A . 3 ILE C 1 1 16 3975 1 1 3 ILE CA C 1.704 3.647 -1.042 1.00 . A A . 3 ILE CA 1 1 16 3976 1 1 3 ILE CB C 3.189 3.922 -0.837 1.00 . A A . 3 ILE CB 1 1 16 3977 1 1 3 ILE CD1 C 3.432 1.597 -0.001 1.00 . A A . 3 ILE CD1 1 1 16 3978 1 1 3 ILE CG1 C 3.929 2.612 -1.032 1.00 . A A . 3 ILE CG1 1 1 16 3979 1 1 3 ILE CG2 C 3.484 4.505 0.554 1.00 . A A . 3 ILE CG2 1 1 16 3980 1 1 3 ILE H H 1.173 4.916 -2.665 1.00 . A A . 3 ILE H 1 1 16 3981 1 1 3 ILE HA H 1.600 2.818 -1.727 1.00 . A A . 3 ILE HA 1 1 16 3982 1 1 3 ILE HB H 3.510 4.620 -1.591 1.00 . A A . 3 ILE HB 1 1 16 3983 1 1 3 ILE HD11 H 3.532 2.017 0.991 1.00 . A A . 3 ILE HD11 1 1 16 3984 1 1 3 ILE HD12 H 4.012 0.695 -0.072 1.00 . A A . 3 ILE HD12 1 1 16 3985 1 1 3 ILE HD13 H 2.391 1.375 -0.193 1.00 . A A . 3 ILE HD13 1 1 16 3986 1 1 3 ILE HG12 H 3.718 2.250 -2.029 1.00 . A A . 3 ILE HG12 1 1 16 3987 1 1 3 ILE HG13 H 4.992 2.767 -0.910 1.00 . A A . 3 ILE HG13 1 1 16 3988 1 1 3 ILE HG21 H 4.263 5.248 0.473 1.00 . A A . 3 ILE HG21 1 1 16 3989 1 1 3 ILE HG22 H 3.810 3.715 1.213 1.00 . A A . 3 ILE HG22 1 1 16 3990 1 1 3 ILE HG23 H 2.593 4.961 0.954 1.00 . A A . 3 ILE HG23 1 1 16 3991 1 1 3 ILE N N 1.214 4.886 -1.693 1.00 . A A . 3 ILE N 1 1 16 3992 1 1 3 ILE O O 1.545 2.862 1.232 1.00 . A A . 3 ILE O 1 1 16 3993 1 1 4 LYS C C -2.076 2.075 1.203 1.00 . A A . 4 LYS C 1 1 16 3994 1 1 4 LYS CA C -1.085 3.188 1.528 1.00 . A A . 4 LYS CA 1 1 16 3995 1 1 4 LYS CB C -1.779 4.483 1.910 1.00 . A A . 4 LYS CB 1 1 16 3996 1 1 4 LYS CD C -1.038 6.071 3.687 1.00 . A A . 4 LYS CD 1 1 16 3997 1 1 4 LYS CE C 0.266 6.363 4.433 1.00 . A A . 4 LYS CE 1 1 16 3998 1 1 4 LYS CG C -0.718 5.497 2.306 1.00 . A A . 4 LYS CG 1 1 16 3999 1 1 4 LYS H H -0.786 3.874 -0.478 1.00 . A A . 4 LYS H 1 1 16 4000 1 1 4 LYS HA H -0.416 2.876 2.313 1.00 . A A . 4 LYS HA 1 1 16 4001 1 1 4 LYS HB2 H -2.354 4.855 1.075 1.00 . A A . 4 LYS HB2 1 1 16 4002 1 1 4 LYS HB3 H -2.419 4.305 2.741 1.00 . A A . 4 LYS HB3 1 1 16 4003 1 1 4 LYS HD2 H -1.603 6.985 3.575 1.00 . A A . 4 LYS HD2 1 1 16 4004 1 1 4 LYS HD3 H -1.619 5.355 4.248 1.00 . A A . 4 LYS HD3 1 1 16 4005 1 1 4 LYS HE2 H 0.702 5.443 4.800 1.00 . A A . 4 LYS HE2 1 1 16 4006 1 1 4 LYS HE3 H 0.960 6.879 3.789 1.00 . A A . 4 LYS HE3 1 1 16 4007 1 1 4 LYS HG2 H 0.239 4.996 2.334 1.00 . A A . 4 LYS HG2 1 1 16 4008 1 1 4 LYS HG3 H -0.691 6.296 1.580 1.00 . A A . 4 LYS HG3 1 1 16 4009 1 1 4 LYS HZ1 H 0.701 7.436 6.162 1.00 . A A . 4 LYS HZ1 1 1 16 4010 1 1 4 LYS HZ2 H -0.860 6.769 6.136 1.00 . A A . 4 LYS HZ2 1 1 16 4011 1 1 4 LYS HZ3 H -0.503 8.139 5.198 1.00 . A A . 4 LYS HZ3 1 1 16 4012 1 1 4 LYS N N -0.321 3.521 0.303 1.00 . A A . 4 LYS N 1 1 16 4013 1 1 4 LYS NZ N -0.129 7.243 5.568 1.00 . A A . 4 LYS NZ 1 1 16 4014 1 1 4 LYS O O -2.200 1.106 1.928 1.00 . A A . 4 LYS O 1 1 16 4015 1 1 5 ILE C C -2.824 -0.074 -0.836 1.00 . A A . 5 ILE C 1 1 16 4016 1 1 5 ILE CA C -3.670 1.097 -0.331 1.00 . A A . 5 ILE CA 1 1 16 4017 1 1 5 ILE CB C -4.510 1.696 -1.466 1.00 . A A . 5 ILE CB 1 1 16 4018 1 1 5 ILE CD1 C -5.527 3.048 0.388 1.00 . A A . 5 ILE CD1 1 1 16 4019 1 1 5 ILE CG1 C -5.034 3.079 -1.061 1.00 . A A . 5 ILE CG1 1 1 16 4020 1 1 5 ILE CG2 C -5.693 0.776 -1.769 1.00 . A A . 5 ILE CG2 1 1 16 4021 1 1 5 ILE H H -2.584 2.946 -0.502 1.00 . A A . 5 ILE H 1 1 16 4022 1 1 5 ILE HA H -4.300 0.793 0.491 1.00 . A A . 5 ILE HA 1 1 16 4023 1 1 5 ILE HB H -3.897 1.794 -2.348 1.00 . A A . 5 ILE HB 1 1 16 4024 1 1 5 ILE HD11 H -4.687 3.176 1.056 1.00 . A A . 5 ILE HD11 1 1 16 4025 1 1 5 ILE HD12 H -6.000 2.097 0.586 1.00 . A A . 5 ILE HD12 1 1 16 4026 1 1 5 ILE HD13 H -6.238 3.844 0.544 1.00 . A A . 5 ILE HD13 1 1 16 4027 1 1 5 ILE HG12 H -4.240 3.805 -1.154 1.00 . A A . 5 ILE HG12 1 1 16 4028 1 1 5 ILE HG13 H -5.848 3.352 -1.711 1.00 . A A . 5 ILE HG13 1 1 16 4029 1 1 5 ILE HG21 H -6.394 0.809 -0.948 1.00 . A A . 5 ILE HG21 1 1 16 4030 1 1 5 ILE HG22 H -5.337 -0.236 -1.898 1.00 . A A . 5 ILE HG22 1 1 16 4031 1 1 5 ILE HG23 H -6.182 1.105 -2.673 1.00 . A A . 5 ILE HG23 1 1 16 4032 1 1 5 ILE N N -2.737 2.179 0.085 1.00 . A A . 5 ILE N 1 1 16 4033 1 1 5 ILE O O -3.285 -1.187 -0.990 1.00 . A A . 5 ILE O 1 1 16 4034 1 1 6 TRP C C -0.027 -1.535 -0.334 1.00 . A A . 6 TRP C 1 1 16 4035 1 1 6 TRP CA C -0.615 -0.846 -1.538 1.00 . A A . 6 TRP CA 1 1 16 4036 1 1 6 TRP CB C 0.483 -0.061 -2.248 1.00 . A A . 6 TRP CB 1 1 16 4037 1 1 6 TRP CD1 C 0.148 -0.098 -4.697 1.00 . A A . 6 TRP CD1 1 1 16 4038 1 1 6 TRP CD2 C -0.814 1.679 -3.751 1.00 . A A . 6 TRP CD2 1 1 16 4039 1 1 6 TRP CE2 C -1.079 1.771 -5.134 1.00 . A A . 6 TRP CE2 1 1 16 4040 1 1 6 TRP CE3 C -1.309 2.681 -2.906 1.00 . A A . 6 TRP CE3 1 1 16 4041 1 1 6 TRP CG C -0.039 0.479 -3.516 1.00 . A A . 6 TRP CG 1 1 16 4042 1 1 6 TRP CH2 C -2.303 3.819 -4.817 1.00 . A A . 6 TRP CH2 1 1 16 4043 1 1 6 TRP CZ2 C -1.813 2.823 -5.668 1.00 . A A . 6 TRP CZ2 1 1 16 4044 1 1 6 TRP CZ3 C -2.051 3.749 -3.437 1.00 . A A . 6 TRP CZ3 1 1 16 4045 1 1 6 TRP H H -1.237 1.103 -0.912 1.00 . A A . 6 TRP H 1 1 16 4046 1 1 6 TRP HA H -1.090 -1.543 -2.196 1.00 . A A . 6 TRP HA 1 1 16 4047 1 1 6 TRP HB2 H 0.804 0.753 -1.626 1.00 . A A . 6 TRP HB2 1 1 16 4048 1 1 6 TRP HB3 H 1.322 -0.708 -2.450 1.00 . A A . 6 TRP HB3 1 1 16 4049 1 1 6 TRP HD1 H 0.690 -1.001 -4.846 1.00 . A A . 6 TRP HD1 1 1 16 4050 1 1 6 TRP HE1 H -0.481 0.447 -6.627 1.00 . A A . 6 TRP HE1 1 1 16 4051 1 1 6 TRP HE3 H -1.111 2.628 -1.843 1.00 . A A . 6 TRP HE3 1 1 16 4052 1 1 6 TRP HH2 H -2.874 4.640 -5.222 1.00 . A A . 6 TRP HH2 1 1 16 4053 1 1 6 TRP HZ2 H -2.001 2.869 -6.728 1.00 . A A . 6 TRP HZ2 1 1 16 4054 1 1 6 TRP HZ3 H -2.432 4.517 -2.782 1.00 . A A . 6 TRP HZ3 1 1 16 4055 1 1 6 TRP N N -1.566 0.197 -1.068 1.00 . A A . 6 TRP N 1 1 16 4056 1 1 6 TRP NE1 N -0.468 0.657 -5.673 1.00 . A A . 6 TRP NE1 1 1 16 4057 1 1 6 TRP O O -0.101 -2.736 -0.165 1.00 . A A . 6 TRP O 1 1 16 4058 1 1 7 PHE C C 0.107 -2.156 2.491 1.00 . A A . 7 PHE C 1 1 16 4059 1 1 7 PHE CA C 1.136 -1.275 1.776 1.00 . A A . 7 PHE CA 1 1 16 4060 1 1 7 PHE CB C 1.441 -0.027 2.612 1.00 . A A . 7 PHE CB 1 1 16 4061 1 1 7 PHE CD1 C 3.129 -0.955 4.236 1.00 . A A . 7 PHE CD1 1 1 16 4062 1 1 7 PHE CD2 C 0.954 -0.285 5.072 1.00 . A A . 7 PHE CD2 1 1 16 4063 1 1 7 PHE CE1 C 3.510 -1.331 5.530 1.00 . A A . 7 PHE CE1 1 1 16 4064 1 1 7 PHE CE2 C 1.335 -0.661 6.366 1.00 . A A . 7 PHE CE2 1 1 16 4065 1 1 7 PHE CG C 1.852 -0.433 4.008 1.00 . A A . 7 PHE CG 1 1 16 4066 1 1 7 PHE CZ C 2.613 -1.183 6.595 1.00 . A A . 7 PHE CZ 1 1 16 4067 1 1 7 PHE H H 0.545 0.220 0.327 1.00 . A A . 7 PHE H 1 1 16 4068 1 1 7 PHE HA H 2.041 -1.824 1.571 1.00 . A A . 7 PHE HA 1 1 16 4069 1 1 7 PHE HB2 H 2.240 0.532 2.147 1.00 . A A . 7 PHE HB2 1 1 16 4070 1 1 7 PHE HB3 H 0.558 0.590 2.666 1.00 . A A . 7 PHE HB3 1 1 16 4071 1 1 7 PHE HD1 H 3.819 -1.070 3.416 1.00 . A A . 7 PHE HD1 1 1 16 4072 1 1 7 PHE HD2 H -0.033 0.117 4.894 1.00 . A A . 7 PHE HD2 1 1 16 4073 1 1 7 PHE HE1 H 4.496 -1.735 5.708 1.00 . A A . 7 PHE HE1 1 1 16 4074 1 1 7 PHE HE2 H 0.643 -0.547 7.188 1.00 . A A . 7 PHE HE2 1 1 16 4075 1 1 7 PHE HZ H 2.907 -1.473 7.593 1.00 . A A . 7 PHE HZ 1 1 16 4076 1 1 7 PHE N N 0.538 -0.744 0.517 1.00 . A A . 7 PHE N 1 1 16 4077 1 1 7 PHE O O 0.436 -2.968 3.332 1.00 . A A . 7 PHE O 1 1 16 4078 1 1 8 ARG C C -2.548 -4.017 1.991 1.00 . A A . 8 ARG C 1 1 16 4079 1 1 8 ARG CA C -2.221 -2.754 2.798 1.00 . A A . 8 ARG CA 1 1 16 4080 1 1 8 ARG CB C -3.380 -1.778 2.772 1.00 . A A . 8 ARG CB 1 1 16 4081 1 1 8 ARG CD C -3.575 -1.725 5.225 1.00 . A A . 8 ARG CD 1 1 16 4082 1 1 8 ARG CG C -4.315 -2.067 3.934 1.00 . A A . 8 ARG CG 1 1 16 4083 1 1 8 ARG CZ C -4.371 -0.553 7.189 1.00 . A A . 8 ARG CZ 1 1 16 4084 1 1 8 ARG H H -1.381 -1.302 1.491 1.00 . A A . 8 ARG H 1 1 16 4085 1 1 8 ARG HA H -1.969 -2.995 3.814 1.00 . A A . 8 ARG HA 1 1 16 4086 1 1 8 ARG HB2 H -2.987 -0.778 2.875 1.00 . A A . 8 ARG HB2 1 1 16 4087 1 1 8 ARG HB3 H -3.904 -1.865 1.837 1.00 . A A . 8 ARG HB3 1 1 16 4088 1 1 8 ARG HD2 H -3.487 -2.602 5.849 1.00 . A A . 8 ARG HD2 1 1 16 4089 1 1 8 ARG HD3 H -2.596 -1.324 4.990 1.00 . A A . 8 ARG HD3 1 1 16 4090 1 1 8 ARG HE H -4.984 -0.101 5.355 1.00 . A A . 8 ARG HE 1 1 16 4091 1 1 8 ARG HG2 H -5.205 -1.459 3.846 1.00 . A A . 8 ARG HG2 1 1 16 4092 1 1 8 ARG HG3 H -4.583 -3.111 3.935 1.00 . A A . 8 ARG HG3 1 1 16 4093 1 1 8 ARG HH11 H -2.377 -0.676 7.297 1.00 . A A . 8 ARG HH11 1 1 16 4094 1 1 8 ARG HH12 H -3.197 -0.464 8.808 1.00 . A A . 8 ARG HH12 1 1 16 4095 1 1 8 ARG HH21 H -6.358 -0.398 7.383 1.00 . A A . 8 ARG HH21 1 1 16 4096 1 1 8 ARG HH22 H -5.451 -0.306 8.856 1.00 . A A . 8 ARG HH22 1 1 16 4097 1 1 8 ARG N N -1.142 -1.976 2.160 1.00 . A A . 8 ARG N 1 1 16 4098 1 1 8 ARG NE N -4.408 -0.686 5.890 1.00 . A A . 8 ARG NE 1 1 16 4099 1 1 8 ARG NH1 N -3.226 -0.565 7.812 1.00 . A A . 8 ARG NH1 1 1 16 4100 1 1 8 ARG NH2 N -5.480 -0.408 7.862 1.00 . A A . 8 ARG NH2 1 1 16 4101 1 1 8 ARG O O -3.334 -4.842 2.412 1.00 . A A . 8 ARG O 1 1 16 4102 1 1 9 LYS C C -1.054 -6.337 0.012 1.00 . A A . 9 LYS C 1 1 16 4103 1 1 9 LYS CA C -2.249 -5.378 0.005 1.00 . A A . 9 LYS CA 1 1 16 4104 1 1 9 LYS CB C -2.495 -4.839 -1.405 1.00 . A A . 9 LYS CB 1 1 16 4105 1 1 9 LYS CD C -4.611 -6.141 -1.680 1.00 . A A . 9 LYS CD 1 1 16 4106 1 1 9 LYS CE C -5.995 -6.085 -2.329 1.00 . A A . 9 LYS CE 1 1 16 4107 1 1 9 LYS CG C -4.000 -4.738 -1.659 1.00 . A A . 9 LYS CG 1 1 16 4108 1 1 9 LYS H H -1.333 -3.494 0.507 1.00 . A A . 9 LYS H 1 1 16 4109 1 1 9 LYS HA H -3.133 -5.878 0.366 1.00 . A A . 9 LYS HA 1 1 16 4110 1 1 9 LYS HB2 H -2.048 -3.858 -1.497 1.00 . A A . 9 LYS HB2 1 1 16 4111 1 1 9 LYS HB3 H -2.054 -5.509 -2.129 1.00 . A A . 9 LYS HB3 1 1 16 4112 1 1 9 LYS HD2 H -3.972 -6.803 -2.248 1.00 . A A . 9 LYS HD2 1 1 16 4113 1 1 9 LYS HD3 H -4.704 -6.508 -0.669 1.00 . A A . 9 LYS HD3 1 1 16 4114 1 1 9 LYS HE2 H -6.641 -5.415 -1.777 1.00 . A A . 9 LYS HE2 1 1 16 4115 1 1 9 LYS HE3 H -5.916 -5.770 -3.358 1.00 . A A . 9 LYS HE3 1 1 16 4116 1 1 9 LYS HG2 H -4.458 -4.156 -0.873 1.00 . A A . 9 LYS HG2 1 1 16 4117 1 1 9 LYS HG3 H -4.173 -4.258 -2.610 1.00 . A A . 9 LYS HG3 1 1 16 4118 1 1 9 LYS HZ1 H -7.506 -7.499 -2.550 1.00 . A A . 9 LYS HZ1 1 1 16 4119 1 1 9 LYS HZ2 H -6.423 -7.833 -1.284 1.00 . A A . 9 LYS HZ2 1 1 16 4120 1 1 9 LYS HZ3 H -5.953 -8.086 -2.897 1.00 . A A . 9 LYS HZ3 1 1 16 4121 1 1 9 LYS N N -1.960 -4.172 0.834 1.00 . A A . 9 LYS N 1 1 16 4122 1 1 9 LYS NZ N -6.509 -7.481 -2.259 1.00 . A A . 9 LYS NZ 1 1 16 4123 1 1 9 LYS O O -1.092 -7.382 0.633 1.00 . A A . 9 LYS O 1 1 16 4124 1 1 10 TRP C C 2.100 -6.607 0.484 1.00 . A A . 10 TRP C 1 1 16 4125 1 1 10 TRP CA C 1.188 -6.889 -0.724 1.00 . A A . 10 TRP CA 1 1 16 4126 1 1 10 TRP CB C 1.875 -6.538 -2.051 1.00 . A A . 10 TRP CB 1 1 16 4127 1 1 10 TRP CD1 C 0.920 -5.526 -4.150 1.00 . A A . 10 TRP CD1 1 1 16 4128 1 1 10 TRP CD2 C -0.353 -7.195 -3.362 1.00 . A A . 10 TRP CD2 1 1 16 4129 1 1 10 TRP CE2 C -0.989 -6.724 -4.527 1.00 . A A . 10 TRP CE2 1 1 16 4130 1 1 10 TRP CE3 C -0.951 -8.249 -2.669 1.00 . A A . 10 TRP CE3 1 1 16 4131 1 1 10 TRP CG C 0.862 -6.422 -3.147 1.00 . A A . 10 TRP CG 1 1 16 4132 1 1 10 TRP CH2 C -2.767 -8.331 -4.285 1.00 . A A . 10 TRP CH2 1 1 16 4133 1 1 10 TRP CZ2 C -2.182 -7.280 -4.990 1.00 . A A . 10 TRP CZ2 1 1 16 4134 1 1 10 TRP CZ3 C -2.153 -8.816 -3.123 1.00 . A A . 10 TRP CZ3 1 1 16 4135 1 1 10 TRP H H 0.015 -5.158 -1.181 1.00 . A A . 10 TRP H 1 1 16 4136 1 1 10 TRP HA H 0.882 -7.923 -0.728 1.00 . A A . 10 TRP HA 1 1 16 4137 1 1 10 TRP HB2 H 2.385 -5.593 -1.950 1.00 . A A . 10 TRP HB2 1 1 16 4138 1 1 10 TRP HB3 H 2.588 -7.307 -2.301 1.00 . A A . 10 TRP HB3 1 1 16 4139 1 1 10 TRP HD1 H 1.697 -4.789 -4.289 1.00 . A A . 10 TRP HD1 1 1 16 4140 1 1 10 TRP HE1 H -0.370 -5.194 -5.767 1.00 . A A . 10 TRP HE1 1 1 16 4141 1 1 10 TRP HE3 H -0.487 -8.619 -1.782 1.00 . A A . 10 TRP HE3 1 1 16 4142 1 1 10 TRP HH2 H -3.691 -8.769 -4.633 1.00 . A A . 10 TRP HH2 1 1 16 4143 1 1 10 TRP HZ2 H -2.647 -6.899 -5.888 1.00 . A A . 10 TRP HZ2 1 1 16 4144 1 1 10 TRP HZ3 H -2.604 -9.631 -2.575 1.00 . A A . 10 TRP HZ3 1 1 16 4145 1 1 10 TRP N N 0.001 -5.998 -0.681 1.00 . A A . 10 TRP N 1 1 16 4146 1 1 10 TRP NE1 N -0.176 -5.709 -4.971 1.00 . A A . 10 TRP NE1 1 1 16 4147 1 1 10 TRP O O 1.742 -6.882 1.613 1.00 . A A . 10 TRP O 1 1 16 4148 1 1 11 LYS C C 5.263 -4.795 0.876 1.00 . A A . 11 LYS C 1 1 16 4149 1 1 11 LYS CA C 4.188 -5.746 1.388 1.00 . A A . 11 LYS CA 1 1 16 4150 1 1 11 LYS CB C 4.808 -7.079 1.816 1.00 . A A . 11 LYS CB 1 1 16 4151 1 1 11 LYS CD C 4.454 -8.734 -0.003 1.00 . A A . 11 LYS CD 1 1 16 4152 1 1 11 LYS CE C 4.518 -8.650 -1.528 1.00 . A A . 11 LYS CE 1 1 16 4153 1 1 11 LYS CG C 5.453 -7.757 0.609 1.00 . A A . 11 LYS CG 1 1 16 4154 1 1 11 LYS H H 3.535 -5.825 -0.654 1.00 . A A . 11 LYS H 1 1 16 4155 1 1 11 LYS HA H 3.647 -5.312 2.204 1.00 . A A . 11 LYS HA 1 1 16 4156 1 1 11 LYS HB2 H 5.557 -6.900 2.572 1.00 . A A . 11 LYS HB2 1 1 16 4157 1 1 11 LYS HB3 H 4.037 -7.720 2.218 1.00 . A A . 11 LYS HB3 1 1 16 4158 1 1 11 LYS HD2 H 4.691 -9.739 0.316 1.00 . A A . 11 LYS HD2 1 1 16 4159 1 1 11 LYS HD3 H 3.460 -8.474 0.332 1.00 . A A . 11 LYS HD3 1 1 16 4160 1 1 11 LYS HE2 H 3.686 -9.184 -1.969 1.00 . A A . 11 LYS HE2 1 1 16 4161 1 1 11 LYS HE3 H 4.518 -7.620 -1.850 1.00 . A A . 11 LYS HE3 1 1 16 4162 1 1 11 LYS HG2 H 5.723 -7.008 -0.121 1.00 . A A . 11 LYS HG2 1 1 16 4163 1 1 11 LYS HG3 H 6.335 -8.293 0.923 1.00 . A A . 11 LYS HG3 1 1 16 4164 1 1 11 LYS HZ1 H 5.769 -10.309 -1.654 1.00 . A A . 11 LYS HZ1 1 1 16 4165 1 1 11 LYS HZ2 H 6.584 -8.846 -1.370 1.00 . A A . 11 LYS HZ2 1 1 16 4166 1 1 11 LYS HZ3 H 5.970 -9.194 -2.916 1.00 . A A . 11 LYS HZ3 1 1 16 4167 1 1 11 LYS N N 3.265 -6.055 0.260 1.00 . A A . 11 LYS N 1 1 16 4168 1 1 11 LYS NZ N 5.808 -9.299 -1.896 1.00 . A A . 11 LYS NZ 1 1 16 4169 1 1 11 LYS O O 6.397 -4.830 1.309 1.00 . A A . 11 LYS O 1 1 16 4170 1 1 12 LYS C C 7.301 -3.283 -0.374 1.00 . A A . 12 LYS C 1 1 16 4171 1 1 12 LYS CA C 5.829 -2.987 -0.704 1.00 . A A . 12 LYS CA 1 1 16 4172 1 1 12 LYS CB C 5.414 -1.590 -0.196 1.00 . A A . 12 LYS CB 1 1 16 4173 1 1 12 LYS CD C 5.696 -2.172 2.221 1.00 . A A . 12 LYS CD 1 1 16 4174 1 1 12 LYS CE C 6.341 -0.972 2.920 1.00 . A A . 12 LYS CE 1 1 16 4175 1 1 12 LYS CG C 4.709 -1.679 1.165 1.00 . A A . 12 LYS CG 1 1 16 4176 1 1 12 LYS H H 3.965 -4.000 -0.388 1.00 . A A . 12 LYS H 1 1 16 4177 1 1 12 LYS HA H 5.687 -3.028 -1.766 1.00 . A A . 12 LYS HA 1 1 16 4178 1 1 12 LYS HB2 H 6.295 -0.973 -0.098 1.00 . A A . 12 LYS HB2 1 1 16 4179 1 1 12 LYS HB3 H 4.744 -1.138 -0.912 1.00 . A A . 12 LYS HB3 1 1 16 4180 1 1 12 LYS HD2 H 5.175 -2.777 2.948 1.00 . A A . 12 LYS HD2 1 1 16 4181 1 1 12 LYS HD3 H 6.461 -2.761 1.744 1.00 . A A . 12 LYS HD3 1 1 16 4182 1 1 12 LYS HE2 H 7.127 -0.557 2.303 1.00 . A A . 12 LYS HE2 1 1 16 4183 1 1 12 LYS HE3 H 5.599 -0.220 3.139 1.00 . A A . 12 LYS HE3 1 1 16 4184 1 1 12 LYS HG2 H 4.344 -0.701 1.443 1.00 . A A . 12 LYS HG2 1 1 16 4185 1 1 12 LYS HG3 H 3.880 -2.367 1.100 1.00 . A A . 12 LYS HG3 1 1 16 4186 1 1 12 LYS HZ1 H 7.716 -2.131 3.968 1.00 . A A . 12 LYS HZ1 1 1 16 4187 1 1 12 LYS HZ2 H 6.172 -2.075 4.676 1.00 . A A . 12 LYS HZ2 1 1 16 4188 1 1 12 LYS HZ3 H 7.213 -0.738 4.795 1.00 . A A . 12 LYS HZ3 1 1 16 4189 1 1 12 LYS N N 4.890 -3.966 -0.070 1.00 . A A . 12 LYS N 1 1 16 4190 1 1 12 LYS NZ N 6.902 -1.520 4.185 1.00 . A A . 12 LYS NZ 1 1 16 4191 1 1 12 LYS O O 7.748 -4.374 -0.687 1.00 . A A . 12 LYS O 1 1 16 4192 1 1 12 LYS OXT O 7.955 -2.414 0.180 1.00 . A A . 12 LYS OXT 1 1 stop_ save_
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