NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
450255 | 2rlg | 11002 | cing | 4-filtered-FRED | STAR | entry | full | 364 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2rlg # This FRED archive file contains, for PDB entry <2rlg>: # # - 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_2rlg _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2rlg _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2154.81 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 $antimicrobial_peptide_RP_1 A . 1 1 stop_ save_ save_antimicrobial_peptide_RP_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "antimicrobial peptide RP 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code ALYKKFKKKLLKSLKRLG _Entity.Number_of_monomers 18 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ALA . 1 1 2 LEU . 1 1 3 TYR . 1 1 4 LYS . 1 1 5 LYS . 1 1 6 PHE . 1 1 7 LYS . 1 1 8 LYS . 1 1 9 LYS . 1 1 10 LEU . 1 1 11 LEU . 1 1 12 LYS . 1 1 13 SER . 1 1 14 LEU . 1 1 15 LYS . 1 1 16 ARG . 1 1 17 LEU . 1 1 18 GLY . 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 ALA 1 1 1 1 LEU 2 2 1 1 TYR 3 3 1 1 LYS 4 4 1 1 LYS 5 5 1 1 PHE 6 6 1 1 LYS 7 7 1 1 LYS 8 8 1 1 LYS 9 9 1 1 LEU 10 10 1 1 LEU 11 11 1 1 LYS 12 12 1 1 SER 13 13 1 1 LEU 14 14 1 1 LYS 15 15 1 1 ARG 16 16 1 1 LEU 17 17 1 1 GLY 18 18 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 LEU HA . 2 . HA 1 1 1 1 2 1 1 3 TYR QB . 3 . HB# 1 1 2 1 1 1 1 2 LEU HA . 2 . HA 1 1 2 1 2 1 1 3 TYR H . 3 . HN 1 1 3 1 1 1 1 2 LEU QB . 2 . HB# 1 1 3 1 2 1 1 3 TYR QD . 3 . HD# 1 1 4 1 1 1 1 2 LEU QB . 2 . HB# 1 1 4 1 2 1 1 3 TYR QE . 3 . HE# 1 1 5 1 1 1 1 2 LEU QD . 2 . HD## 1 1 5 1 2 1 1 3 TYR QD . 3 . HD# 1 1 6 1 1 1 1 2 LEU QD . 2 . HD## 1 1 6 1 2 1 1 3 TYR QE . 3 . HE# 1 1 7 1 1 1 1 2 LEU HG . 2 . HG 1 1 7 1 2 1 1 3 TYR QD . 3 . HD# 1 1 8 1 1 1 1 2 LEU HG . 2 . HG 1 1 8 1 2 1 1 3 TYR QE . 3 . HE# 1 1 9 1 1 1 1 2 LEU QD . 2 . HD## 1 1 9 1 2 1 1 3 TYR HA . 3 . HA 1 1 10 1 1 1 1 2 LEU HG . 2 . HG 1 1 10 1 2 1 1 3 TYR HA . 3 . HA 1 1 11 1 1 1 1 3 TYR HA . 3 . HA 1 1 11 1 2 1 1 4 LYS QD . 4 . HD# 1 1 12 1 1 1 1 3 TYR HA . 3 . HA 1 1 12 1 2 1 1 4 LYS QE . 4 . HE# 1 1 13 1 1 1 1 3 TYR HA . 3 . HA 1 1 13 1 2 1 1 4 LYS QG . 4 . HG# 1 1 14 1 1 1 1 3 TYR HA . 3 . HA 1 1 14 1 2 1 1 4 LYS H . 4 . HN 1 1 15 1 1 1 1 2 LEU QB . 2 . HB# 1 1 15 1 2 1 1 3 TYR QB . 3 . HB# 1 1 16 1 1 1 1 2 LEU HG . 2 . HG 1 1 16 1 2 1 1 3 TYR QB . 3 . HB# 1 1 17 1 1 1 1 2 LEU H . 2 . HN 1 1 17 1 2 1 1 3 TYR QB . 3 . HB# 1 1 18 1 1 1 1 3 TYR QB . 3 . HB# 1 1 18 1 2 1 1 4 LYS QB . 4 . HB# 1 1 19 1 1 1 1 3 TYR QB . 3 . HB# 1 1 19 1 2 1 1 4 LYS QD . 4 . HD# 1 1 20 1 1 1 1 3 TYR QB . 3 . HB# 1 1 20 1 2 1 1 4 LYS QG . 4 . HG# 1 1 21 1 1 1 1 3 TYR QB . 3 . HB# 1 1 21 1 2 1 1 4 LYS H . 4 . HN 1 1 22 1 1 1 1 3 TYR QD . 3 . HD# 1 1 22 1 2 1 1 4 LYS H . 4 . HN 1 1 23 1 1 1 1 2 LEU H . 2 . HN 1 1 23 1 2 1 1 3 TYR H . 3 . HN 1 1 24 1 1 1 1 3 TYR QB . 3 . HB# 1 1 24 1 2 1 1 4 LYS HA . 4 . HA 1 1 25 1 1 1 1 4 LYS HA . 4 . HA 1 1 25 1 2 1 1 5 LYS QG . 5 . HG# 1 1 26 1 1 1 1 4 LYS HA . 4 . HA 1 1 26 1 2 1 1 5 LYS H . 5 . HN 1 1 27 1 1 1 1 3 TYR QD . 3 . HD# 1 1 27 1 2 1 1 4 LYS QB . 4 . HB# 1 1 28 1 1 1 1 3 TYR QE . 3 . HE# 1 1 28 1 2 1 1 4 LYS QB . 4 . HB# 1 1 29 1 1 1 1 4 LYS QB . 4 . HB# 1 1 29 1 2 1 1 5 LYS H . 5 . HN 1 1 30 1 1 1 1 3 TYR QD . 3 . HD# 1 1 30 1 2 1 1 4 LYS QD . 4 . HD# 1 1 31 1 1 1 1 3 TYR QE . 3 . HE# 1 1 31 1 2 1 1 4 LYS QD . 4 . HD# 1 1 32 1 1 1 1 3 TYR QD . 3 . HD# 1 1 32 1 2 1 1 4 LYS QE . 4 . HE# 1 1 33 1 1 1 1 3 TYR QE . 3 . HE# 1 1 33 1 2 1 1 4 LYS QE . 4 . HE# 1 1 34 1 1 1 1 3 TYR H . 3 . HN 1 1 34 1 2 1 1 4 LYS QE . 4 . HE# 1 1 35 1 1 1 1 4 LYS QE . 4 . HE# 1 1 35 1 2 1 1 5 LYS QD . 5 . HD# 1 1 36 1 1 1 1 4 LYS QE . 4 . HE# 1 1 36 1 2 1 1 5 LYS QG . 5 . HG# 1 1 37 1 1 1 1 4 LYS QE . 4 . HE# 1 1 37 1 2 1 1 5 LYS H . 5 . HN 1 1 38 1 1 1 1 3 TYR QD . 3 . HD# 1 1 38 1 2 1 1 4 LYS QG . 4 . HG# 1 1 39 1 1 1 1 3 TYR QE . 3 . HE# 1 1 39 1 2 1 1 4 LYS QG . 4 . HG# 1 1 40 1 1 1 1 3 TYR H . 3 . HN 1 1 40 1 2 1 1 4 LYS QG . 4 . HG# 1 1 41 1 1 1 1 4 LYS QG . 4 . HG# 1 1 41 1 2 1 1 5 LYS QG . 5 . HG# 1 1 42 1 1 1 1 4 LYS QG . 4 . HG# 1 1 42 1 2 1 1 5 LYS H . 5 . HN 1 1 43 1 1 1 1 3 TYR H . 3 . HN 1 1 43 1 2 1 1 4 LYS H . 4 . HN 1 1 44 1 1 1 1 4 LYS H . 4 . HN 1 1 44 1 2 1 1 5 LYS H . 5 . HN 1 1 45 1 1 1 1 4 LYS QE . 4 . HE# 1 1 45 1 2 1 1 5 LYS HA . 5 . HA 1 1 46 1 1 1 1 4 LYS QG . 4 . HG# 1 1 46 1 2 1 1 5 LYS HA . 5 . HA 1 1 47 1 1 1 1 5 LYS HA . 5 . HA 1 1 47 1 2 1 1 6 PHE QD . 6 . HD# 1 1 48 1 1 1 1 5 LYS HA . 5 . HA 1 1 48 1 2 1 1 6 PHE QE . 6 . HE# 1 1 49 1 1 1 1 5 LYS HA . 5 . HA 1 1 49 1 2 1 1 6 PHE H . 6 . HN 1 1 50 1 1 1 1 4 LYS H . 4 . HN 1 1 50 1 2 1 1 5 LYS QD . 5 . HD# 1 1 51 1 1 1 1 5 LYS QD . 5 . HD# 1 1 51 1 2 1 1 6 PHE QD . 6 . HD# 1 1 52 1 1 1 1 5 LYS QD . 5 . HD# 1 1 52 1 2 1 1 6 PHE QE . 6 . HE# 1 1 53 1 1 1 1 5 LYS QD . 5 . HD# 1 1 53 1 2 1 1 6 PHE H . 6 . HN 1 1 54 1 1 1 1 5 LYS QD . 5 . HD# 1 1 54 1 2 1 1 6 PHE HZ . 6 . HZ 1 1 55 1 1 1 1 5 LYS QE . 5 . HE# 1 1 55 1 2 1 1 6 PHE QD . 6 . HD# 1 1 56 1 1 1 1 5 LYS QE . 5 . HE# 1 1 56 1 2 1 1 6 PHE QE . 6 . HE# 1 1 57 1 1 1 1 5 LYS QE . 5 . HE# 1 1 57 1 2 1 1 6 PHE HZ . 6 . HZ 1 1 58 1 1 1 1 4 LYS QD . 4 . HD# 1 1 58 1 2 1 1 5 LYS QG . 5 . HG# 1 1 59 1 1 1 1 4 LYS H . 4 . HN 1 1 59 1 2 1 1 5 LYS QG . 5 . HG# 1 1 60 1 1 1 1 5 LYS QG . 5 . HG# 1 1 60 1 2 1 1 6 PHE QD . 6 . HD# 1 1 61 1 1 1 1 5 LYS QG . 5 . HG# 1 1 61 1 2 1 1 6 PHE QE . 6 . HE# 1 1 62 1 1 1 1 5 LYS QG . 5 . HG# 1 1 62 1 2 1 1 6 PHE H . 6 . HN 1 1 63 1 1 1 1 5 LYS H . 5 . HN 1 1 63 1 2 1 1 6 PHE H . 6 . HN 1 1 64 1 1 1 1 6 PHE HA . 6 . HA 1 1 64 1 2 1 1 7 LYS H . 7 . HN 1 1 65 1 1 1 1 6 PHE HA . 6 . HA 1 1 65 1 2 1 1 8 LYS H . 8 . HN 1 1 66 1 1 1 1 6 PHE HA . 6 . HA 1 1 66 1 2 1 1 9 LYS H . 9 . HN 1 1 67 1 1 1 1 5 LYS QD . 5 . HD# 1 1 67 1 2 1 1 6 PHE HA . 6 . HA 1 1 68 1 1 1 1 5 LYS QE . 5 . HE# 1 1 68 1 2 1 1 6 PHE HA . 6 . HA 1 1 69 1 1 1 1 6 PHE HA . 6 . HA 1 1 69 1 2 1 1 7 LYS QB . 7 . HB# 1 1 70 1 1 1 1 6 PHE HA . 6 . HA 1 1 70 1 2 1 1 7 LYS QE . 7 . HE# 1 1 71 1 1 1 1 6 PHE HA . 6 . HA 1 1 71 1 2 1 1 7 LYS QG . 7 . HG# 1 1 72 1 1 1 1 5 LYS QD . 5 . HD# 1 1 72 1 2 1 1 6 PHE QB . 6 . HB# 1 1 73 1 1 1 1 5 LYS H . 5 . HN 1 1 73 1 2 1 1 6 PHE QB . 6 . HB# 1 1 74 1 1 1 1 6 PHE QB . 6 . HB# 1 1 74 1 2 1 1 7 LYS QB . 7 . HB# 1 1 75 1 1 1 1 6 PHE QB . 6 . HB# 1 1 75 1 2 1 1 7 LYS QD . 7 . HD# 1 1 76 1 1 1 1 6 PHE QB . 6 . HB# 1 1 76 1 2 1 1 7 LYS H . 7 . HN 1 1 77 1 1 1 1 6 PHE QD . 6 . HD# 1 1 77 1 2 1 1 7 LYS H . 7 . HN 1 1 78 1 1 1 1 6 PHE H . 6 . HN 1 1 78 1 2 1 1 7 LYS H . 7 . HN 1 1 79 1 1 1 1 6 PHE QD . 6 . HD# 1 1 79 1 2 1 1 7 LYS HA . 7 . HA 1 1 80 1 1 1 1 6 PHE QE . 6 . HE# 1 1 80 1 2 1 1 7 LYS HA . 7 . HA 1 1 81 1 1 1 1 6 PHE QE . 6 . HE# 1 1 81 1 2 1 1 7 LYS QB . 7 . HB# 1 1 82 1 1 1 1 6 PHE QB . 6 . HB# 1 1 82 1 2 1 1 7 LYS QE . 7 . HE# 1 1 83 1 1 1 1 6 PHE QD . 6 . HD# 1 1 83 1 2 1 1 7 LYS QE . 7 . HE# 1 1 84 1 1 1 1 6 PHE H . 6 . HN 1 1 84 1 2 1 1 7 LYS QE . 7 . HE# 1 1 85 1 1 1 1 7 LYS QG . 7 . HG# 1 1 85 1 2 1 1 8 LYS H . 8 . HN 1 1 86 1 1 1 1 7 LYS QD . 7 . HD# 1 1 86 1 2 1 1 8 LYS HA . 8 . HA 1 1 87 1 1 1 1 7 LYS QG . 7 . HG# 1 1 87 1 2 1 1 8 LYS HA . 8 . HA 1 1 88 1 1 1 1 8 LYS HA . 8 . HA 1 1 88 1 2 1 1 9 LYS H . 9 . HN 1 1 89 1 1 1 1 7 LYS H . 7 . HN 1 1 89 1 2 1 1 8 LYS QB . 8 . HB# 1 1 90 1 1 1 1 7 LYS H . 7 . HN 1 1 90 1 2 1 1 8 LYS QD . 8 . HD# 1 1 91 1 1 1 1 8 LYS QD . 8 . HD# 1 1 91 1 2 1 1 9 LYS H . 9 . HN 1 1 92 1 1 1 1 8 LYS QG . 8 . HG# 1 1 92 1 2 1 1 9 LYS H . 9 . HN 1 1 93 1 1 1 1 7 LYS H . 7 . HN 1 1 93 1 2 1 1 8 LYS H . 8 . HN 1 1 94 1 1 1 1 9 LYS HA . 9 . HA 1 1 94 1 2 1 1 10 LEU H . 10 . HN 1 1 95 1 1 1 1 9 LYS QE . 9 . HE# 1 1 95 1 2 1 1 10 LEU QD . 10 . HD## 1 1 96 1 1 1 1 9 LYS QE . 9 . HE# 1 1 96 1 2 1 1 10 LEU HG . 10 . HG 1 1 97 1 1 1 1 10 LEU HG . 10 . HG 1 1 97 1 2 1 1 11 LEU HA . 11 . HA 1 1 98 1 1 1 1 11 LEU HA . 11 . HA 1 1 98 1 2 1 1 12 LYS H . 12 . HN 1 1 99 1 1 1 1 10 LEU H . 10 . HN 1 1 99 1 2 1 1 11 LEU QB . 11 . HB# 1 1 100 1 1 1 1 11 LEU QB . 11 . HB# 1 1 100 1 2 1 1 12 LYS H . 12 . HN 1 1 101 1 1 1 1 10 LEU H . 10 . HN 1 1 101 1 2 1 1 11 LEU QD . 11 . HD## 1 1 102 1 1 1 1 11 LEU QD . 11 . HD## 1 1 102 1 2 1 1 12 LYS QB . 12 . HB# 1 1 103 1 1 1 1 11 LEU QD . 11 . HD## 1 1 103 1 2 1 1 12 LYS QG . 12 . HG# 1 1 104 1 1 1 1 10 LEU H . 10 . HN 1 1 104 1 2 1 1 11 LEU HG . 11 . HG 1 1 105 1 1 1 1 11 LEU HG . 11 . HG 1 1 105 1 2 1 1 12 LYS H . 12 . HN 1 1 106 1 1 1 1 11 LEU H . 11 . HN 1 1 106 1 2 1 1 12 LYS H . 12 . HN 1 1 107 1 1 1 1 12 LYS HA . 12 . HA 1 1 107 1 2 1 1 13 SER HA . 13 . HA 1 1 108 1 1 1 1 12 LYS QG . 12 . HG# 1 1 108 1 2 1 1 13 SER HA . 13 . HA 1 1 109 1 1 1 1 13 SER HA . 13 . HA 1 1 109 1 2 1 1 14 LEU HA . 14 . HA 1 1 110 1 1 1 1 12 LYS QB . 12 . HB# 1 1 110 1 2 1 1 13 SER QB . 13 . HB# 1 1 111 1 1 1 1 12 LYS QD . 12 . HD# 1 1 111 1 2 1 1 13 SER QB . 13 . HB# 1 1 112 1 1 1 1 12 LYS QE . 12 . HE# 1 1 112 1 2 1 1 13 SER QB . 13 . HB# 1 1 113 1 1 1 1 12 LYS H . 12 . HN 1 1 113 1 2 1 1 13 SER QB . 13 . HB# 1 1 114 1 1 1 1 13 SER QB . 13 . HB# 1 1 114 1 2 1 1 14 LEU QB . 14 . HB# 1 1 115 1 1 1 1 13 SER QB . 13 . HB# 1 1 115 1 2 1 1 14 LEU HG . 14 . HG 1 1 116 1 1 1 1 13 SER QB . 13 . HB# 1 1 116 1 2 1 1 14 LEU H . 14 . HN 1 1 117 1 1 1 1 13 SER QB . 13 . HB# 1 1 117 1 2 1 1 14 LEU HA . 14 . HA 1 1 118 1 1 1 1 14 LEU HA . 14 . HA 1 1 118 1 2 1 1 15 LYS QB . 15 . HB# 1 1 119 1 1 1 1 14 LEU QD . 14 . HD## 1 1 119 1 2 1 1 15 LYS HA . 15 . HA 1 1 120 1 1 1 1 14 LEU HG . 14 . HG 1 1 120 1 2 1 1 15 LYS HA . 15 . HA 1 1 121 1 1 1 1 15 LYS HA . 15 . HA 1 1 121 1 2 1 1 16 ARG QB . 16 . HB# 1 1 122 1 1 1 1 15 LYS QG . 15 . HG# 1 1 122 1 2 1 1 16 ARG QB . 16 . HB# 1 1 123 1 1 1 1 16 ARG HA . 16 . HA 1 1 123 1 2 1 1 17 LEU QD . 17 . HD## 1 1 124 1 1 1 1 16 ARG HA . 16 . HA 1 1 124 1 2 1 1 17 LEU H . 17 . HN 1 1 125 1 1 1 1 16 ARG QB . 16 . HB# 1 1 125 1 2 1 1 17 LEU H . 17 . HN 1 1 126 1 1 1 1 15 LYS QG . 15 . HG# 1 1 126 1 2 1 1 16 ARG QD . 16 . HD# 1 1 127 1 1 1 1 16 ARG QD . 16 . HD# 1 1 127 1 2 1 1 17 LEU QB . 17 . HB# 1 1 128 1 1 1 1 16 ARG QD . 16 . HD# 1 1 128 1 2 1 1 17 LEU QD . 17 . HD## 1 1 129 1 1 1 1 16 ARG HE . 16 . HE 1 1 129 1 2 1 1 17 LEU HA . 17 . HA 1 1 130 1 1 1 1 17 LEU HA . 17 . HA 1 1 130 1 2 1 1 18 GLY QA . 18 . HA# 1 1 131 1 1 1 1 17 LEU HA . 17 . HA 1 1 131 1 2 1 1 18 GLY H . 18 . HN 1 1 132 1 1 1 1 16 ARG QB . 16 . HB# 1 1 132 1 2 1 1 17 LEU QB . 17 . HB# 1 1 133 1 1 1 1 16 ARG H . 16 . HN 1 1 133 1 2 1 1 17 LEU QB . 17 . HB# 1 1 134 1 1 1 1 17 LEU QB . 17 . HB# 1 1 134 1 2 1 1 18 GLY H . 18 . HN 1 1 135 1 1 1 1 16 ARG QB . 16 . HB# 1 1 135 1 2 1 1 17 LEU QD . 17 . HD## 1 1 136 1 1 1 1 16 ARG HE . 16 . HE 1 1 136 1 2 1 1 17 LEU QD . 17 . HD## 1 1 137 1 1 1 1 16 ARG QB . 16 . HB# 1 1 137 1 2 1 1 17 LEU HG . 17 . HG 1 1 138 1 1 1 1 17 LEU HG . 17 . HG 1 1 138 1 2 1 1 18 GLY H . 18 . HN 1 1 139 1 1 1 1 17 LEU QD . 17 . HD## 1 1 139 1 2 1 1 18 GLY QA . 18 . HA# 1 1 140 1 1 1 1 1 ALA MB . 1 . HB# 1 1 140 1 2 1 1 3 TYR QD . 3 . HD# 1 1 141 1 1 1 1 1 ALA MB . 1 . HB# 1 1 141 1 2 1 1 3 TYR QE . 3 . HE# 1 1 142 1 1 1 1 1 ALA MB . 1 . HB# 1 1 142 1 2 1 1 4 LYS H . 4 . HN 1 1 143 1 1 1 1 1 ALA MB . 1 . HB# 1 1 143 1 2 1 1 3 TYR QB . 3 . HB# 1 1 144 1 1 1 1 2 LEU HA . 2 . HA 1 1 144 1 2 1 1 4 LYS QD . 4 . HD# 1 1 145 1 1 1 1 2 LEU HA . 2 . HA 1 1 145 1 2 1 1 4 LYS QG . 4 . HG# 1 1 146 1 1 1 1 2 LEU HA . 2 . HA 1 1 146 1 2 1 1 4 LYS H . 4 . HN 1 1 147 1 1 1 1 2 LEU HA . 2 . HA 1 1 147 1 2 1 1 5 LYS QG . 5 . HG# 1 1 148 1 1 1 1 2 LEU HG . 2 . HG 1 1 148 1 2 1 1 4 LYS H . 4 . HN 1 1 149 1 1 1 1 2 LEU HG . 2 . HG 1 1 149 1 2 1 1 6 PHE QD . 6 . HD# 1 1 150 1 1 1 1 2 LEU HG . 2 . HG 1 1 150 1 2 1 1 6 PHE QE . 6 . HE# 1 1 151 1 1 1 1 2 LEU HG . 2 . HG 1 1 151 1 2 1 1 6 PHE HZ . 6 . HZ 1 1 152 1 1 1 1 2 LEU QD . 2 . HD## 1 1 152 1 2 1 1 4 LYS H . 4 . HN 1 1 153 1 1 1 1 2 LEU QD . 2 . HD## 1 1 153 1 2 1 1 6 PHE QD . 6 . HD# 1 1 154 1 1 1 1 2 LEU QD . 2 . HD## 1 1 154 1 2 1 1 6 PHE QE . 6 . HE# 1 1 155 1 1 1 1 3 TYR HA . 3 . HA 1 1 155 1 2 1 1 6 PHE QB . 6 . HB# 1 1 156 1 1 1 1 3 TYR HA . 3 . HA 1 1 156 1 2 1 1 6 PHE QD . 6 . HD# 1 1 157 1 1 1 1 3 TYR HA . 3 . HA 1 1 157 1 2 1 1 6 PHE QE . 6 . HE# 1 1 158 1 1 1 1 3 TYR HA . 3 . HA 1 1 158 1 2 1 1 6 PHE H . 6 . HN 1 1 159 1 1 1 1 3 TYR HA . 3 . HA 1 1 159 1 2 1 1 6 PHE HZ . 6 . HZ 1 1 160 1 1 1 1 3 TYR QB . 3 . HB# 1 1 160 1 2 1 1 5 LYS H . 5 . HN 1 1 161 1 1 1 1 3 TYR QB . 3 . HB# 1 1 161 1 2 1 1 6 PHE QB . 6 . HB# 1 1 162 1 1 1 1 3 TYR QB . 3 . HB# 1 1 162 1 2 1 1 6 PHE QD . 6 . HD# 1 1 163 1 1 1 1 3 TYR QB . 3 . HB# 1 1 163 1 2 1 1 6 PHE H . 6 . HN 1 1 164 1 1 1 1 3 TYR QD . 3 . HD# 1 1 164 1 2 1 1 6 PHE H . 6 . HN 1 1 165 1 1 1 1 2 LEU H . 2 . HN 1 1 165 1 2 1 1 4 LYS QB . 4 . HB# 1 1 166 1 1 1 1 4 LYS QD . 4 . HD# 1 1 166 1 2 1 1 6 PHE QE . 6 . HE# 1 1 167 1 1 1 1 2 LEU QD . 2 . HD## 1 1 167 1 2 1 1 4 LYS QE . 4 . HE# 1 1 168 1 1 1 1 2 LEU HG . 2 . HG 1 1 168 1 2 1 1 4 LYS QE . 4 . HE# 1 1 169 1 1 1 1 2 LEU H . 2 . HN 1 1 169 1 2 1 1 4 LYS H . 4 . HN 1 1 170 1 1 1 1 4 LYS H . 4 . HN 1 1 170 1 2 1 1 6 PHE H . 6 . HN 1 1 171 1 1 1 1 4 LYS H . 4 . HN 1 1 171 1 2 1 1 7 LYS H . 7 . HN 1 1 172 1 1 1 1 2 LEU QB . 2 . HB# 1 1 172 1 2 1 1 5 LYS QE . 5 . HE# 1 1 173 1 1 1 1 5 LYS HA . 5 . HA 1 1 173 1 2 1 1 8 LYS QB . 8 . HB# 1 1 174 1 1 1 1 2 LEU QB . 2 . HB# 1 1 174 1 2 1 1 5 LYS QD . 5 . HD# 1 1 175 1 1 1 1 2 LEU QD . 2 . HD## 1 1 175 1 2 1 1 5 LYS QE . 5 . HE# 1 1 176 1 1 1 1 3 TYR QD . 3 . HD# 1 1 176 1 2 1 1 5 LYS QE . 5 . HE# 1 1 177 1 1 1 1 3 TYR QE . 3 . HE# 1 1 177 1 2 1 1 5 LYS QE . 5 . HE# 1 1 178 1 1 1 1 5 LYS QG . 5 . HG# 1 1 178 1 2 1 1 8 LYS H . 8 . HN 1 1 179 1 1 1 1 2 LEU H . 2 . HN 1 1 179 1 2 1 1 5 LYS H . 5 . HN 1 1 180 1 1 1 1 5 LYS H . 5 . HN 1 1 180 1 2 1 1 7 LYS H . 7 . HN 1 1 181 1 1 1 1 5 LYS H . 5 . HN 1 1 181 1 2 1 1 8 LYS H . 8 . HN 1 1 182 1 1 1 1 3 TYR QD . 3 . HD# 1 1 182 1 2 1 1 6 PHE HA . 6 . HA 1 1 183 1 1 1 1 3 TYR QE . 3 . HE# 1 1 183 1 2 1 1 6 PHE HA . 6 . HA 1 1 184 1 1 1 1 6 PHE HA . 6 . HA 1 1 184 1 2 1 1 8 LYS QB . 8 . HB# 1 1 185 1 1 1 1 6 PHE HA . 6 . HA 1 1 185 1 2 1 1 8 LYS QD . 8 . HD# 1 1 186 1 1 1 1 6 PHE HA . 6 . HA 1 1 186 1 2 1 1 8 LYS QG . 8 . HG# 1 1 187 1 1 1 1 6 PHE HA . 6 . HA 1 1 187 1 2 1 1 9 LYS QB . 9 . HB# 1 1 188 1 1 1 1 6 PHE HA . 6 . HA 1 1 188 1 2 1 1 9 LYS QG . 9 . HG# 1 1 189 1 1 1 1 3 TYR QD . 3 . HD# 1 1 189 1 2 1 1 6 PHE QB . 6 . HB# 1 1 190 1 1 1 1 3 TYR QE . 3 . HE# 1 1 190 1 2 1 1 6 PHE QB . 6 . HB# 1 1 191 1 1 1 1 4 LYS QD . 4 . HD# 1 1 191 1 2 1 1 6 PHE QB . 6 . HB# 1 1 192 1 1 1 1 4 LYS H . 4 . HN 1 1 192 1 2 1 1 6 PHE QB . 6 . HB# 1 1 193 1 1 1 1 6 PHE QB . 6 . HB# 1 1 193 1 2 1 1 8 LYS H . 8 . HN 1 1 194 1 1 1 1 6 PHE QB . 6 . HB# 1 1 194 1 2 1 1 9 LYS QG . 9 . HG# 1 1 195 1 1 1 1 6 PHE QB . 6 . HB# 1 1 195 1 2 1 1 10 LEU H . 10 . HN 1 1 196 1 1 1 1 6 PHE QD . 6 . HD# 1 1 196 1 2 1 1 8 LYS H . 8 . HN 1 1 197 1 1 1 1 6 PHE H . 6 . HN 1 1 197 1 2 1 1 8 LYS H . 8 . HN 1 1 198 1 1 1 1 3 TYR QD . 3 . HD# 1 1 198 1 2 1 1 7 LYS QB . 7 . HB# 1 1 199 1 1 1 1 7 LYS QB . 7 . HB# 1 1 199 1 2 1 1 10 LEU H . 10 . HN 1 1 200 1 1 1 1 7 LYS QE . 7 . HE# 1 1 200 1 2 1 1 11 LEU QD . 11 . HD## 1 1 201 1 1 1 1 7 LYS H . 7 . HN 1 1 201 1 2 1 1 10 LEU H . 10 . HN 1 1 202 1 1 1 1 7 LYS QG . 7 . HG# 1 1 202 1 2 1 1 9 LYS H . 9 . HN 1 1 203 1 1 1 1 5 LYS QG . 5 . HG# 1 1 203 1 2 1 1 8 LYS HA . 8 . HA 1 1 204 1 1 1 1 8 LYS HA . 8 . HA 1 1 204 1 2 1 1 10 LEU H . 10 . HN 1 1 205 1 1 1 1 8 LYS HA . 8 . HA 1 1 205 1 2 1 1 11 LEU HG . 11 . HG 1 1 206 1 1 1 1 8 LYS QB . 8 . HB# 1 1 206 1 2 1 1 10 LEU H . 10 . HN 1 1 207 1 1 1 1 6 PHE QE . 6 . HE# 1 1 207 1 2 1 1 8 LYS QD . 8 . HD# 1 1 208 1 1 1 1 8 LYS QD . 8 . HD# 1 1 208 1 2 1 1 10 LEU H . 10 . HN 1 1 209 1 1 1 1 9 LYS QG . 9 . HG# 1 1 209 1 2 1 1 10 LEU H . 10 . HN 1 1 210 1 1 1 1 6 PHE H . 6 . HN 1 1 210 1 2 1 1 8 LYS QG . 8 . HG# 1 1 211 1 1 1 1 6 PHE QE . 6 . HE# 1 1 211 1 2 1 1 8 LYS QE . 8 . HE# 1 1 212 1 1 1 1 8 LYS H . 8 . HN 1 1 212 1 2 1 1 11 LEU H . 11 . HN 1 1 213 1 1 1 1 7 LYS H . 7 . HN 1 1 213 1 2 1 1 9 LYS H . 9 . HN 1 1 214 1 1 1 1 9 LYS QG . 9 . HG# 1 1 214 1 2 1 1 12 LYS H . 12 . HN 1 1 215 1 1 1 1 10 LEU HA . 10 . HA 1 1 215 1 2 1 1 13 SER QB . 13 . HB# 1 1 216 1 1 1 1 6 PHE QD . 6 . HD# 1 1 216 1 2 1 1 10 LEU QD . 10 . HD## 1 1 217 1 1 1 1 6 PHE QE . 6 . HE# 1 1 217 1 2 1 1 10 LEU QD . 10 . HD## 1 1 218 1 1 1 1 6 PHE HZ . 6 . HZ 1 1 218 1 2 1 1 10 LEU QD . 10 . HD## 1 1 219 1 1 1 1 10 LEU QD . 10 . HD## 1 1 219 1 2 1 1 14 LEU H . 14 . HN 1 1 220 1 1 1 1 11 LEU HA . 11 . HA 1 1 220 1 2 1 1 13 SER QB . 13 . HB# 1 1 221 1 1 1 1 7 LYS H . 7 . HN 1 1 221 1 2 1 1 11 LEU QB . 11 . HB# 1 1 222 1 1 1 1 12 LYS QD . 12 . HD# 1 1 222 1 2 1 1 14 LEU H . 14 . HN 1 1 223 1 1 1 1 7 LYS QG . 7 . HG# 1 1 223 1 2 1 1 11 LEU QD . 11 . HD## 1 1 224 1 1 1 1 11 LEU QD . 11 . HD## 1 1 224 1 2 1 1 14 LEU H . 14 . HN 1 1 225 1 1 1 1 12 LYS QG . 12 . HG# 1 1 225 1 2 1 1 14 LEU H . 14 . HN 1 1 226 1 1 1 1 12 LYS QB . 12 . HB# 1 1 226 1 2 1 1 14 LEU H . 14 . HN 1 1 227 1 1 1 1 12 LYS H . 12 . HN 1 1 227 1 2 1 1 14 LEU QB . 14 . HB# 1 1 228 1 1 1 1 12 LYS H . 12 . HN 1 1 228 1 2 1 1 14 LEU H . 14 . HN 1 1 229 1 1 1 1 10 LEU H . 10 . HN 1 1 229 1 2 1 1 12 LYS H . 12 . HN 1 1 230 1 1 1 1 13 SER HA . 13 . HA 1 1 230 1 2 1 1 16 ARG QB . 16 . HB# 1 1 231 1 1 1 1 13 SER HA . 13 . HA 1 1 231 1 2 1 1 16 ARG QD . 16 . HD# 1 1 232 1 1 1 1 10 LEU H . 10 . HN 1 1 232 1 2 1 1 13 SER QB . 13 . HB# 1 1 233 1 1 1 1 10 LEU QB . 10 . HB# 1 1 233 1 2 1 1 13 SER QB . 13 . HB# 1 1 234 1 1 1 1 14 LEU HA . 14 . HA 1 1 234 1 2 1 1 17 LEU QD . 17 . HD## 1 1 235 1 1 1 1 10 LEU HG . 10 . HG 1 1 235 1 2 1 1 14 LEU QD . 14 . HD## 1 1 236 1 1 1 1 11 LEU HG . 11 . HG 1 1 236 1 2 1 1 14 LEU QD . 14 . HD## 1 1 237 1 1 1 1 11 LEU H . 11 . HN 1 1 237 1 2 1 1 14 LEU H . 14 . HN 1 1 238 1 1 1 1 15 LYS HA . 15 . HA 1 1 238 1 2 1 1 17 LEU QD . 17 . HD## 1 1 239 1 1 1 1 16 ARG HA . 16 . HA 1 1 239 1 2 1 1 18 GLY H . 18 . HN 1 1 240 1 1 1 1 14 LEU QB . 14 . HB# 1 1 240 1 2 1 1 17 LEU QB . 17 . HB# 1 1 241 1 1 1 1 16 ARG HE . 16 . HE# 1 1 241 1 2 1 1 18 GLY QA . 18 . HA# 1 1 242 1 1 1 1 16 ARG H . 16 . HN 1 1 242 1 2 1 1 18 GLY H . 18 . HN 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 . . . . . 5.0 1.8 6.0 1 1 2 1 . . . . . 3.4 1.8 3.4 1 1 3 1 . . . . . 5.0 1.8 9.0 1 1 4 1 . . . . . 5.0 1.8 9.0 1 1 5 1 . . . . . 5.0 1.8 11.0 1 1 6 1 . . . . . 5.0 1.8 11.0 1 1 7 1 . . . . . 5.0 1.8 8.0 1 1 8 1 . . . . . 5.0 1.8 8.0 1 1 9 1 . . . . . 5.0 1.8 8.0 1 1 10 1 . . . . . 5.0 1.8 5.0 1 1 11 1 . . . . . 5.0 1.8 6.0 1 1 12 1 . . . . . 5.0 1.8 6.0 1 1 13 1 . . . . . 5.0 1.8 6.0 1 1 14 1 . . . . . 3.4 1.8 3.4 1 1 15 1 . . . . . 5.0 1.8 7.0 1 1 16 1 . . . . . 5.0 1.8 6.0 1 1 17 1 . . . . . 5.0 1.8 6.0 1 1 18 1 . . . . . 5.0 1.8 7.0 1 1 19 1 . . . . . 5.0 1.8 7.0 1 1 20 1 . . . . . 5.0 1.8 7.0 1 1 21 1 . . . . . 3.4 1.8 4.4 1 1 22 1 . . . . . 3.4 1.8 6.4 1 1 23 1 . . . . . 5.0 1.8 5.0 1 1 24 1 . . . . . 5.0 1.8 6.0 1 1 25 1 . . . . . 5.0 1.8 6.0 1 1 26 1 . . . . . 3.4 1.8 3.4 1 1 27 1 . . . . . 5.0 1.8 9.0 1 1 28 1 . . . . . 3.4 1.8 7.4 1 1 29 1 . . . . . 3.4 1.8 4.4 1 1 30 1 . . . . . 5.0 1.8 9.0 1 1 31 1 . . . . . 5.0 1.8 9.0 1 1 32 1 . . . . . 3.4 1.8 7.4 1 1 33 1 . . . . . 3.4 1.8 7.4 1 1 34 1 . . . . . 3.4 1.8 4.4 1 1 35 1 . . . . . 3.4 1.8 5.4 1 1 36 1 . . . . . 5.0 1.8 7.0 1 1 37 1 . . . . . 5.0 1.8 6.0 1 1 38 1 . . . . . 5.0 1.8 9.0 1 1 39 1 . . . . . 5.0 1.8 9.0 1 1 40 1 . . . . . 5.0 1.8 6.0 1 1 41 1 . . . . . 5.0 1.8 7.0 1 1 42 1 . . . . . 5.0 1.8 6.0 1 1 43 1 . . . . . 2.8 1.8 2.8 1 1 44 1 . . . . . 2.8 1.8 2.8 1 1 45 1 . . . . . 5.0 1.8 6.0 1 1 46 1 . . . . . 3.4 1.8 4.4 1 1 47 1 . . . . . 3.4 1.8 6.4 1 1 48 1 . . . . . 5.0 1.8 8.0 1 1 49 1 . . . . . 3.4 1.8 3.4 1 1 50 1 . . . . . 5.0 1.8 6.0 1 1 51 1 . . . . . 5.0 1.8 9.0 1 1 52 1 . . . . . 5.0 1.8 9.0 1 1 53 1 . . . . . 3.4 1.8 4.4 1 1 54 1 . . . . . 5.0 1.8 6.0 1 1 55 1 . . . . . 5.0 1.8 9.0 1 1 56 1 . . . . . 5.0 1.8 9.0 1 1 57 1 . . . . . 5.0 1.8 6.0 1 1 58 1 . . . . . 5.0 1.8 7.0 1 1 59 1 . . . . . 5.0 1.8 6.0 1 1 60 1 . . . . . 5.0 1.8 9.0 1 1 61 1 . . . . . 5.0 1.8 9.0 1 1 62 1 . . . . . 5.0 1.8 6.0 1 1 63 1 . . . . . 2.8 1.8 2.8 1 1 64 1 . . . . . 3.4 1.8 3.4 1 1 65 1 . . . . . 5.0 1.8 5.0 1 1 66 1 . . . . . 3.4 1.8 3.4 1 1 67 1 . . . . . 5.0 1.8 6.0 1 1 68 1 . . . . . 5.0 1.8 6.0 1 1 69 1 . . . . . 5.0 1.8 6.0 1 1 70 1 . . . . . 5.0 1.8 6.0 1 1 71 1 . . . . . 5.0 1.8 6.0 1 1 72 1 . . . . . 5.0 1.8 7.0 1 1 73 1 . . . . . 5.0 1.8 6.0 1 1 74 1 . . . . . 5.0 1.8 7.0 1 1 75 1 . . . . . 5.0 1.8 7.0 1 1 76 1 . . . . . 3.4 1.8 4.4 1 1 77 1 . . . . . 5.0 1.8 8.0 1 1 78 1 . . . . . 2.8 1.8 2.8 1 1 79 1 . . . . . 3.4 1.8 6.4 1 1 80 1 . . . . . 5.0 1.8 8.0 1 1 81 1 . . . . . 5.0 1.8 9.0 1 1 82 1 . . . . . 5.0 1.8 7.0 1 1 83 1 . . . . . 5.0 1.8 9.0 1 1 84 1 . . . . . 5.0 1.8 6.0 1 1 85 1 . . . . . 3.4 1.8 4.4 1 1 86 1 . . . . . 5.0 1.8 6.0 1 1 87 1 . . . . . 5.0 1.8 6.0 1 1 88 1 . . . . . 3.4 1.8 3.4 1 1 89 1 . . . . . 3.4 1.8 4.4 1 1 90 1 . . . . . 5.0 1.8 6.0 1 1 91 1 . . . . . 5.0 1.8 6.0 1 1 92 1 . . . . . 5.0 1.8 6.0 1 1 93 1 . . . . . 2.8 1.8 2.8 1 1 94 1 . . . . . 3.4 1.8 3.4 1 1 95 1 . . . . . 5.0 1.8 9.0 1 1 96 1 . . . . . 5.0 1.8 6.0 1 1 97 1 . . . . . 5.0 1.8 5.0 1 1 98 1 . . . . . 3.4 1.8 3.4 1 1 99 1 . . . . . 5.0 1.8 6.0 1 1 100 1 . . . . . 5.0 1.8 6.0 1 1 101 1 . . . . . 5.0 1.8 8.0 1 1 102 1 . . . . . 5.0 1.8 9.0 1 1 103 1 . . . . . 5.0 1.8 9.0 1 1 104 1 . . . . . 5.0 1.8 5.0 1 1 105 1 . . . . . 5.0 1.8 5.0 1 1 106 1 . . . . . 2.8 1.8 2.8 1 1 107 1 . . . . . 5.0 1.8 5.0 1 1 108 1 . . . . . 5.0 1.8 6.0 1 1 109 1 . . . . . 5.0 1.8 5.0 1 1 110 1 . . . . . 5.0 1.8 7.0 1 1 111 1 . . . . . 5.0 1.8 7.0 1 1 112 1 . . . . . 5.0 1.8 7.0 1 1 113 1 . . . . . 5.0 1.8 6.0 1 1 114 1 . . . . . 5.0 1.8 7.0 1 1 115 1 . . . . . 5.0 1.8 6.0 1 1 116 1 . . . . . 5.0 1.8 6.0 1 1 117 1 . . . . . 5.0 1.8 6.0 1 1 118 1 . . . . . 5.0 1.8 6.0 1 1 119 1 . . . . . 5.0 1.8 8.0 1 1 120 1 . . . . . 3.4 1.8 3.4 1 1 121 1 . . . . . 5.0 1.8 6.0 1 1 122 1 . . . . . 5.0 1.8 7.0 1 1 123 1 . . . . . 3.4 1.8 6.4 1 1 124 1 . . . . . 3.4 1.8 3.4 1 1 125 1 . . . . . 5.0 1.8 6.0 1 1 126 1 . . . . . 5.0 1.8 7.0 1 1 127 1 . . . . . 5.0 1.8 7.0 1 1 128 1 . . . . . 5.0 1.8 9.0 1 1 129 1 . . . . . 5.0 1.8 5.0 1 1 130 1 . . . . . 5.0 1.8 6.0 1 1 131 1 . . . . . 3.4 1.8 3.4 1 1 132 1 . . . . . 5.0 1.8 7.0 1 1 133 1 . . . . . 5.0 1.8 6.0 1 1 134 1 . . . . . 3.4 1.8 4.4 1 1 135 1 . . . . . 5.0 1.8 9.0 1 1 136 1 . . . . . 5.0 1.8 8.0 1 1 137 1 . . . . . 5.0 1.8 6.0 1 1 138 1 . . . . . 5.0 1.8 5.0 1 1 139 1 . . . . . 5.0 1.8 9.0 1 1 140 1 . . . . . 5.0 1.8 9.0 1 1 141 1 . . . . . 5.0 1.8 9.0 1 1 142 1 . . . . . 5.0 1.8 6.0 1 1 143 1 . . . . . 5.0 1.8 7.0 1 1 144 1 . . . . . 5.0 1.8 6.0 1 1 145 1 . . . . . 5.0 1.8 6.0 1 1 146 1 . . . . . 5.0 1.8 5.0 1 1 147 1 . . . . . 5.0 1.8 6.0 1 1 148 1 . . . . . 5.0 1.8 5.0 1 1 149 1 . . . . . 5.0 1.8 8.0 1 1 150 1 . . . . . 5.0 1.8 8.0 1 1 151 1 . . . . . 5.0 1.8 5.0 1 1 152 1 . . . . . 5.0 1.8 8.0 1 1 153 1 . . . . . 5.0 1.8 11.0 1 1 154 1 . . . . . 5.0 1.8 11.0 1 1 155 1 . . . . . 5.0 1.8 6.0 1 1 156 1 . . . . . 3.4 1.8 6.4 1 1 157 1 . . . . . 3.4 1.8 6.4 1 1 158 1 . . . . . 5.0 1.8 5.0 1 1 159 1 . . . . . 5.0 1.8 5.0 1 1 160 1 . . . . . 5.0 1.8 6.0 1 1 161 1 . . . . . 5.0 1.8 7.0 1 1 162 1 . . . . . 5.0 1.8 9.0 1 1 163 1 . . . . . 5.0 1.8 6.0 1 1 164 1 . . . . . 5.0 1.8 8.0 1 1 165 1 . . . . . 3.4 1.8 4.4 1 1 166 1 . . . . . 5.0 1.8 9.0 1 1 167 1 . . . . . 5.0 1.8 9.0 1 1 168 1 . . . . . 3.4 1.8 4.4 1 1 169 1 . . . . . 5.0 1.8 5.0 1 1 170 1 . . . . . 5.0 1.8 5.0 1 1 171 1 . . . . . 5.0 1.8 5.0 1 1 172 1 . . . . . 3.4 1.8 5.4 1 1 173 1 . . . . . 5.0 1.8 6.0 1 1 174 1 . . . . . 5.0 1.8 7.0 1 1 175 1 . . . . . 5.0 1.8 9.0 1 1 176 1 . . . . . 5.0 1.8 9.0 1 1 177 1 . . . . . 5.0 1.8 9.0 1 1 178 1 . . . . . 5.0 1.8 6.0 1 1 179 1 . . . . . 5.0 1.8 5.0 1 1 180 1 . . . . . 5.0 1.8 5.0 1 1 181 1 . . . . . 5.0 1.8 5.0 1 1 182 1 . . . . . 5.0 1.8 8.0 1 1 183 1 . . . . . 5.0 1.8 8.0 1 1 184 1 . . . . . 5.0 1.8 6.0 1 1 185 1 . . . . . 3.4 1.8 4.4 1 1 186 1 . . . . . 5.0 1.8 6.0 1 1 187 1 . . . . . 3.4 1.8 4.4 1 1 188 1 . . . . . 5.0 1.8 6.0 1 1 189 1 . . . . . 5.0 1.8 9.0 1 1 190 1 . . . . . 5.0 1.8 9.0 1 1 191 1 . . . . . 5.0 1.8 7.0 1 1 192 1 . . . . . 5.0 1.8 6.0 1 1 193 1 . . . . . 5.0 1.8 6.0 1 1 194 1 . . . . . 5.0 1.8 7.0 1 1 195 1 . . . . . 5.0 1.8 6.0 1 1 196 1 . . . . . 5.0 1.8 8.0 1 1 197 1 . . . . . 5.0 1.8 5.0 1 1 198 1 . . . . . 5.0 1.8 9.0 1 1 199 1 . . . . . 3.4 1.8 4.4 1 1 200 1 . . . . . 3.4 1.8 7.4 1 1 201 1 . . . . . 5.0 1.8 5.0 1 1 202 1 . . . . . 5.0 1.8 6.0 1 1 203 1 . . . . . 5.0 1.8 6.0 1 1 204 1 . . . . . 5.0 1.8 5.0 1 1 205 1 . . . . . 3.4 1.8 3.4 1 1 206 1 . . . . . 5.0 1.8 6.0 1 1 207 1 . . . . . 5.0 1.8 9.0 1 1 208 1 . . . . . 5.0 1.8 6.0 1 1 209 1 . . . . . 5.0 1.8 6.0 1 1 210 1 . . . . . 5.0 1.8 6.0 1 1 211 1 . . . . . 5.0 1.8 9.0 1 1 212 1 . . . . . 5.0 1.8 7.0 1 1 213 1 . . . . . 5.0 1.8 5.0 1 1 214 1 . . . . . 5.0 1.8 6.0 1 1 215 1 . . . . . 5.0 1.8 6.0 1 1 216 1 . . . . . 5.0 1.8 11.0 1 1 217 1 . . . . . 5.0 1.8 11.0 1 1 218 1 . . . . . 5.0 1.8 8.0 1 1 219 1 . . . . . 5.0 1.8 8.0 1 1 220 1 . . . . . 5.0 1.8 6.0 1 1 221 1 . . . . . 5.0 1.8 6.0 1 1 222 1 . . . . . 5.0 1.8 6.0 1 1 223 1 . . . . . 3.4 1.8 7.4 1 1 224 1 . . . . . 5.0 1.8 8.0 1 1 225 1 . . . . . 5.0 1.8 6.0 1 1 226 1 . . . . . 5.0 1.8 6.0 1 1 227 1 . . . . . 5.0 1.8 6.0 1 1 228 1 . . . . . 5.0 1.8 5.0 1 1 229 1 . . . . . 5.0 1.8 5.0 1 1 230 1 . . . . . 5.0 1.8 6.0 1 1 231 1 . . . . . 5.0 1.8 6.0 1 1 232 1 . . . . . 5.0 1.8 6.0 1 1 233 1 . . . . . 5.0 1.8 7.0 1 1 234 1 . . . . . 5.0 1.8 8.0 1 1 235 1 . . . . . 5.0 1.8 8.0 1 1 236 1 . . . . . 5.0 1.8 8.0 1 1 237 1 . . . . . 5.0 1.8 5.0 1 1 238 1 . . . . . 5.0 1.8 8.0 1 1 239 1 . . . . . 5.0 1.8 5.0 1 1 240 1 . . . . . 5.0 1.8 7.0 1 1 241 1 . . . . . 5.0 1.8 7.0 1 1 242 1 . . . . . 5.0 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _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 2 2 1 . . . 1 2 3 1 2 . OR 1 2 3 2 . 3 . 1 2 3 3 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 2 . OR 1 2 6 2 . 3 . 1 2 6 3 . 4 . 1 2 6 4 . . . 1 2 7 1 2 . OR 1 2 7 2 . 3 . 1 2 7 3 . . . 1 2 8 1 . . . 1 2 9 1 2 . OR 1 2 9 2 . 3 . 1 2 9 3 . . . 1 2 10 1 2 . OR 1 2 10 2 . 3 . 1 2 10 3 . . . 1 2 11 1 2 . OR 1 2 11 2 . 3 . 1 2 11 3 . . . 1 2 12 1 2 . OR 1 2 12 2 . 3 . 1 2 12 3 . 4 . 1 2 12 4 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 2 . OR 1 2 15 2 . 3 . 1 2 15 3 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 2 . OR 1 2 18 2 . 3 . 1 2 18 3 . . . 1 2 19 1 2 . OR 1 2 19 2 . 3 . 1 2 19 3 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 2 . OR 1 2 25 2 . 3 . 1 2 25 3 . . . 1 2 26 1 2 . OR 1 2 26 2 . 3 . 1 2 26 3 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 2 . OR 1 2 34 2 . 3 . 1 2 34 3 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 2 . OR 1 2 41 2 . 3 . 1 2 41 3 . . . 1 2 42 1 2 . OR 1 2 42 2 . 3 . 1 2 42 3 . . . 1 2 43 1 . . . 1 2 44 1 . . . 1 2 45 1 . . . 1 2 46 1 . . . 1 2 47 1 . . . 1 2 48 1 . . . 1 2 49 1 . . . 1 2 50 1 2 . OR 1 2 50 2 . 3 . 1 2 50 3 . . . 1 2 51 1 2 . OR 1 2 51 2 . 3 . 1 2 51 3 . . . 1 2 52 1 . . . 1 2 53 1 . . . 1 2 54 1 2 . OR 1 2 54 2 . 3 . 1 2 54 3 . . . 1 2 55 1 . . . 1 2 56 1 . . . 1 2 57 1 . . . 1 2 58 1 . . . 1 2 59 1 . . . 1 2 60 1 . . . 1 2 61 1 . . . 1 2 62 1 2 . OR 1 2 62 2 . 3 . 1 2 62 3 . . . 1 2 63 1 . . . 1 2 64 1 . . . 1 2 65 1 . . . 1 2 66 1 2 . OR 1 2 66 2 . 3 . 1 2 66 3 . . . 1 2 67 1 2 . OR 1 2 67 2 . 3 . 1 2 67 3 . . . 1 2 68 1 2 . OR 1 2 68 2 . 3 . 1 2 68 3 . . . 1 2 69 1 . . . 1 2 70 1 . . . 1 2 71 1 2 . OR 1 2 71 2 . 3 . 1 2 71 3 . . . 1 2 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 ALA HA . 1 . HA 1 2 1 1 1 1 1 2 LEU HA . 2 . HA 1 2 1 1 2 1 1 3 TYR QE . 3 . HE# 1 2 2 1 1 1 1 1 ALA HA . 1 . HA 1 2 2 1 1 1 1 2 LEU HA . 2 . HA 1 2 2 1 2 1 1 3 TYR QD . 3 . HD# 1 2 3 2 1 1 1 13 SER H . 13 . HN 1 2 3 2 1 1 1 15 LYS H . 15 . HN 1 2 3 2 1 1 1 16 ARG H . 16 . HN 1 2 3 2 2 1 1 14 LEU HA . 14 . HA 1 2 3 3 1 1 1 13 SER HA . 13 . HA 1 2 3 3 2 1 1 15 LYS H . 15 . HN 1 2 4 1 1 1 1 2 LEU QB . 2 . HB# 1 2 4 1 1 1 1 5 LYS QB . 5 . HB# 1 2 4 1 1 1 1 7 LYS QD . 7 . HD# 1 2 4 1 2 1 1 6 PHE QD . 6 . HD# 1 2 5 1 1 1 1 2 LEU QB . 2 . HB# 1 2 5 1 1 1 1 5 LYS QB . 5 . HB# 1 2 5 1 1 1 1 7 LYS QD . 7 . HD# 1 2 5 1 2 1 1 6 PHE QE . 6 . HE# 1 2 6 2 1 1 1 2 LEU QD . 2 . HD## 1 2 6 2 2 1 1 3 TYR H . 3 . HN 1 2 6 3 1 1 1 9 LYS H . 9 . HN 1 2 6 3 1 1 1 15 LYS H . 15 . HN 1 2 6 3 2 1 1 11 LEU QD . 11 . HD## 1 2 6 4 1 1 1 13 SER H . 13 . HN 1 2 6 4 1 1 1 15 LYS H . 15 . HN 1 2 6 4 1 1 1 16 ARG H . 16 . HN 1 2 6 4 2 1 1 14 LEU QD . 14 . HD## 1 2 7 2 1 1 1 2 LEU QD . 2 . HD## 1 2 7 2 2 1 1 4 LYS QD . 4 . HD# 1 2 7 3 1 1 1 11 LEU QB . 11 . HB# 1 2 7 3 2 1 1 14 LEU QD . 14 . HD## 1 2 8 1 1 1 1 2 LEU QB . 2 . HB# 1 2 8 1 1 1 1 4 LYS QB . 4 . HB# 1 2 8 1 2 1 1 3 TYR HA . 3 . HA 1 2 9 2 1 1 1 3 TYR HA . 3 . HA 1 2 9 2 2 1 1 5 LYS QB . 5 . HB# 1 2 9 3 1 1 1 13 SER HA . 13 . HA 1 2 9 3 2 1 1 14 LEU HG . 14 . HG 1 2 10 2 1 1 1 3 TYR HA . 3 . HA 1 2 10 2 2 1 1 5 LYS H . 5 . HN 1 2 10 3 1 1 1 13 SER HA . 13 . HA 1 2 10 3 2 1 1 14 LEU H . 14 . HN 1 2 11 2 1 1 1 2 LEU QD . 2 . HD## 1 2 11 2 2 1 1 4 LYS HA . 4 . HA 1 2 11 3 1 1 1 11 LEU HA . 11 . HA 1 2 11 3 1 1 1 12 LYS HA . 12 . HA 1 2 11 3 2 1 1 14 LEU QD . 14 . HD## 1 2 12 2 1 1 1 10 LEU HA . 10 . HA 1 2 12 2 2 1 1 13 SER H . 13 . HN 1 2 12 3 1 1 1 11 LEU HA . 11 . HA 1 2 12 3 1 1 1 12 LYS HA . 12 . HA 1 2 12 3 2 1 1 13 SER H . 13 . HN 1 2 12 3 2 1 1 15 LYS H . 15 . HN 1 2 12 4 1 1 1 12 LYS HA . 12 . HA 1 2 12 4 2 1 1 16 ARG H . 16 . HN 1 2 13 1 1 1 1 3 TYR QD . 3 . HD# 1 2 13 1 2 1 1 4 LYS HA . 4 . HA 1 2 13 1 2 1 1 7 LYS HA . 7 . HA 1 2 14 1 1 1 1 10 LEU HA . 10 . HA 1 2 14 1 1 1 1 11 LEU HA . 11 . HA 1 2 14 1 1 1 1 12 LYS HA . 12 . HA 1 2 14 1 2 1 1 14 LEU H . 14 . HN 1 2 15 2 1 1 1 11 LEU QB . 11 . HB# 1 2 15 2 2 1 1 14 LEU HA . 14 . HA 1 2 15 3 1 1 1 13 SER HA . 13 . HA 1 2 15 3 2 1 1 14 LEU QB . 14 . HB# 1 2 16 1 1 1 1 4 LYS HA . 4 . HA 1 2 16 1 1 1 1 7 LYS HA . 7 . HA 1 2 16 1 2 1 1 6 PHE QB . 6 . HB# 1 2 17 1 1 1 1 4 LYS QB . 4 . HB# 1 2 17 1 1 1 1 5 LYS QB . 5 . HB# 1 2 17 1 1 1 1 7 LYS QD . 7 . HD# 1 2 17 1 2 1 1 6 PHE H . 6 . HN 1 2 18 2 1 1 1 3 TYR H . 3 . HN 1 2 18 2 2 1 1 4 LYS QD . 4 . HD# 1 2 18 3 1 1 1 9 LYS H . 9 . HN 1 2 18 3 1 1 1 13 SER H . 13 . HN 1 2 18 3 2 1 1 11 LEU QB . 11 . HB# 1 2 19 2 1 1 1 4 LYS QD . 4 . HD# 1 2 19 2 2 1 1 5 LYS H . 5 . HN 1 2 19 3 1 1 1 11 LEU QB . 11 . HB# 1 2 19 3 2 1 1 14 LEU H . 14 . HN 1 2 20 1 1 1 1 5 LYS HA . 5 . HA 1 2 20 1 1 1 1 8 LYS HA . 8 . HA 1 2 20 1 2 1 1 10 LEU QD . 10 . HD## 1 2 20 1 2 1 1 11 LEU QD . 11 . HD## 1 2 20 1 2 1 1 14 LEU QD . 14 . HD## 1 2 21 1 1 1 1 5 LYS HA . 5 . HA 1 2 21 1 1 1 1 8 LYS HA . 8 . HA 1 2 21 1 2 1 1 6 PHE QB . 6 . HB# 1 2 22 1 1 1 1 5 LYS HA . 5 . HA 1 2 22 1 2 1 1 7 LYS QB . 7 . HB# 1 2 22 1 2 1 1 9 LYS QB . 9 . HB# 1 2 23 1 1 1 1 5 LYS HA . 5 . HA 1 2 23 1 1 1 1 8 LYS HA . 8 . HA 1 2 23 1 2 1 1 7 LYS H . 7 . HN 1 2 24 1 1 1 1 5 LYS HA . 5 . HA 1 2 24 1 2 1 1 7 LYS QG . 7 . HG# 1 2 24 1 2 1 1 8 LYS QD . 8 . HD# 1 2 24 1 2 1 1 8 LYS QG . 8 . HG# 1 2 25 2 1 1 1 1 ALA MB . 1 . HB# 1 2 25 2 2 1 1 3 TYR H . 3 . HN 1 2 25 3 1 1 1 9 LYS H . 9 . HN 1 2 25 3 1 1 1 13 SER H . 13 . HN 1 2 25 3 2 1 1 10 LEU HG . 10 . HG 1 2 26 2 1 1 1 3 TYR H . 3 . HN 1 2 26 2 2 1 1 5 LYS H . 5 . HN 1 2 26 3 1 1 1 13 SER H . 13 . HN 1 2 26 3 1 1 1 15 LYS H . 15 . HN 1 2 26 3 1 1 1 16 ARG H . 16 . HN 1 2 26 3 2 1 1 14 LEU H . 14 . HN 1 2 27 1 1 1 1 3 TYR H . 3 . HN 1 2 27 1 1 1 1 9 LYS H . 9 . HN 1 2 27 1 2 1 1 6 PHE HA . 6 . HA 1 2 28 1 1 1 1 5 LYS QB . 5 . HB# 1 2 28 1 1 1 1 7 LYS QD . 7 . HD# 1 2 28 1 2 1 1 6 PHE HA . 6 . HA 1 2 29 1 1 1 1 3 TYR H . 3 . HN 1 2 29 1 1 1 1 9 LYS H . 9 . HN 1 2 29 1 2 1 1 6 PHE QB . 6 . HB# 1 2 30 1 1 1 1 2 LEU QB . 2 . HB# 1 2 30 1 1 1 1 5 LYS QB . 5 . HB# 1 2 30 1 2 1 1 6 PHE QB . 6 . HB# 1 2 31 1 1 1 1 3 TYR H . 3 . HN 1 2 31 1 1 1 1 9 LYS H . 9 . HN 1 2 31 1 2 1 1 6 PHE QD . 6 . HD# 1 2 32 1 1 1 1 3 TYR H . 3 . HN 1 2 32 1 1 1 1 9 LYS H . 9 . HN 1 2 32 1 2 1 1 6 PHE HZ . 6 . HZ 1 2 33 1 1 1 1 3 TYR H . 3 . HN 1 2 33 1 1 1 1 9 LYS H . 9 . HN 1 2 33 1 2 1 1 6 PHE QE . 6 . HE# 1 2 34 2 1 1 1 3 TYR H . 3 . HN 1 2 34 2 1 1 1 9 LYS H . 9 . HN 1 2 34 2 2 1 1 6 PHE H . 6 . HN 1 2 34 3 1 1 1 9 LYS H . 9 . HN 1 2 34 3 1 1 1 13 SER H . 13 . HN 1 2 34 3 1 1 1 15 LYS H . 15 . HN 1 2 34 3 2 1 1 12 LYS H . 12 . HN 1 2 35 1 1 1 1 6 PHE H . 6 . HN 1 2 35 1 2 1 1 7 LYS QB . 7 . HB# 1 2 35 1 2 1 1 9 LYS QB . 9 . HB# 1 2 36 1 1 1 1 7 LYS QB . 7 . HB# 1 2 36 1 1 1 1 9 LYS QB . 9 . HB# 1 2 36 1 2 1 1 8 LYS H . 8 . HN 1 2 36 1 2 1 1 11 LEU H . 11 . HN 1 2 37 1 1 1 1 7 LYS QD . 7 . HD# 1 2 37 1 1 1 1 9 LYS QD . 9 . HD# 1 2 37 1 2 1 1 8 LYS H . 8 . HN 1 2 38 1 1 1 1 7 LYS QD . 7 . HD# 1 2 38 1 1 1 1 9 LYS QD . 9 . HD# 1 2 38 1 2 1 1 10 LEU H . 10 . HN 1 2 39 1 1 1 1 7 LYS QE . 7 . HE# 1 2 39 1 1 1 1 8 LYS QE . 8 . HE# 1 2 39 1 1 1 1 9 LYS QE . 9 . HE# 1 2 39 1 2 1 1 10 LEU H . 10 . HN 1 2 40 1 1 1 1 7 LYS QB . 7 . HB# 1 2 40 1 1 1 1 9 LYS QB . 9 . HB# 1 2 40 1 2 1 1 8 LYS HA . 8 . HA 1 2 41 2 1 1 1 4 LYS QD . 4 . HD# 1 2 41 2 2 1 1 5 LYS HA . 5 . HA 1 2 41 3 1 1 1 8 LYS HA . 8 . HA 1 2 41 3 2 1 1 11 LEU QB . 11 . HB# 1 2 42 2 1 1 1 5 LYS H . 5 . HN 1 2 42 2 2 1 1 8 LYS QB . 8 . HB# 1 2 42 3 1 1 1 14 LEU H . 14 . HN 1 2 42 3 2 1 1 15 LYS QB . 15 . HB# 1 2 43 1 1 1 1 6 PHE QD . 6 . HD# 1 2 43 1 2 1 1 7 LYS QB . 7 . HB# 1 2 43 1 2 1 1 8 LYS QB . 8 . HB# 1 2 43 1 2 1 1 9 LYS QB . 9 . HB# 1 2 44 1 1 1 1 6 PHE QD . 6 . HD# 1 2 44 1 2 1 1 7 LYS QG . 7 . HG# 1 2 44 1 2 1 1 8 LYS QG . 8 . HG# 1 2 45 1 1 1 1 6 PHE QD . 6 . HD# 1 2 45 1 2 1 1 7 LYS QG . 7 . HG# 1 2 45 1 2 1 1 8 LYS QD . 8 . HD# 1 2 45 1 2 1 1 9 LYS QG . 9 . HG# 1 2 46 1 1 1 1 8 LYS H . 8 . HN 1 2 46 1 1 1 1 11 LEU H . 11 . HN 1 2 46 1 2 1 1 10 LEU H . 10 . HN 1 2 47 1 1 1 1 9 LYS HA . 9 . HA 1 2 47 1 1 1 1 15 LYS HA . 15 . HA 1 2 47 1 2 1 1 12 LYS H . 12 . HN 1 2 48 1 1 1 1 9 LYS H . 9 . HN 1 2 48 1 1 1 1 13 SER H . 13 . HN 1 2 48 1 2 1 1 10 LEU H . 10 . HN 1 2 49 1 1 1 1 9 LYS H . 9 . HN 1 2 49 1 1 1 1 13 SER H . 13 . HN 1 2 49 1 2 1 1 11 LEU H . 11 . HN 1 2 50 2 1 1 1 7 LYS HA . 7 . HA 1 2 50 2 2 1 1 8 LYS H . 8 . HN 1 2 50 3 1 1 1 7 LYS HA . 7 . HA 1 2 50 3 1 1 1 10 LEU HA . 10 . HA 1 2 50 3 2 1 1 11 LEU H . 11 . HN 1 2 51 2 1 1 1 9 LYS H . 9 . HN 1 2 51 2 2 1 1 10 LEU QD . 10 . HD## 1 2 51 2 2 1 1 11 LEU QD . 11 . HD## 1 2 51 3 1 1 1 14 LEU QD . 14 . HD## 1 2 51 3 2 1 1 15 LYS H . 15 . HN 1 2 51 3 2 1 1 16 ARG H . 16 . HN 1 2 52 1 1 1 1 10 LEU QD . 10 . HD## 1 2 52 1 1 1 1 14 LEU QD . 14 . HD## 1 2 52 1 2 1 1 11 LEU QB . 11 . HB# 1 2 53 1 1 1 1 10 LEU QD . 10 . HD## 1 2 53 1 1 1 1 14 LEU QD . 14 . HD## 1 2 53 1 2 1 1 11 LEU H . 11 . HN 1 2 54 2 1 1 1 8 LYS H . 8 . HN 1 2 54 2 1 1 1 11 LEU H . 11 . HN 1 2 54 2 2 1 1 10 LEU HG . 10 . HG 1 2 54 3 1 1 1 11 LEU H . 11 . HN 1 2 54 3 2 1 1 12 LYS QG . 12 . HG# 1 2 55 1 1 1 1 7 LYS QD . 7 . HD# 1 2 55 1 1 1 1 9 LYS QD . 9 . HD# 1 2 55 1 2 1 1 11 LEU QD . 11 . HD## 1 2 56 1 1 1 1 10 LEU QB . 10 . HB# 1 2 56 1 2 1 1 11 LEU QD . 11 . HD## 1 2 56 1 2 1 1 14 LEU QD . 14 . HD## 1 2 57 1 1 1 1 11 LEU QD . 11 . HD## 1 2 57 1 1 1 1 17 LEU QD . 17 . HD## 1 2 57 1 2 1 1 14 LEU QB . 14 . HB# 1 2 58 1 1 1 1 11 LEU QD . 11 . HD## 1 2 58 1 1 1 1 14 LEU QD . 14 . HD## 1 2 58 1 2 1 1 12 LYS H . 12 . HN 1 2 59 1 1 1 1 14 LEU QD . 14 . HD## 1 2 59 1 1 1 1 17 LEU QD . 17 . HD## 1 2 59 1 2 1 1 18 GLY H . 18 . HN 1 2 60 1 1 1 1 9 LYS H . 9 . HN 1 2 60 1 1 1 1 13 SER H . 13 . HN 1 2 60 1 1 1 1 15 LYS H . 15 . HN 1 2 60 1 2 1 1 11 LEU HG . 11 . HG 1 2 61 1 1 1 1 12 LYS QG . 12 . HG# 1 2 61 1 2 1 1 13 SER H . 13 . HN 1 2 61 1 2 1 1 15 LYS H . 15 . HN 1 2 61 1 2 1 1 16 ARG H . 16 . HN 1 2 62 2 1 1 1 10 LEU HG . 10 . HG 1 2 62 2 1 1 1 12 LYS QG . 12 . HG# 1 2 62 2 2 1 1 14 LEU QD . 14 . HD## 1 2 62 3 1 1 1 11 LEU QD . 11 . HD## 1 2 62 3 2 1 1 12 LYS QG . 12 . HG# 1 2 63 1 1 1 1 11 LEU QD . 11 . HD## 1 2 63 1 1 1 1 14 LEU QD . 14 . HD## 1 2 63 1 2 1 1 12 LYS QB . 12 . HB# 1 2 64 1 1 1 1 11 LEU QD . 11 . HD## 1 2 64 1 1 1 1 14 LEU QD . 14 . HD## 1 2 64 1 2 1 1 12 LYS QD . 12 . HD# 1 2 65 1 1 1 1 13 SER H . 13 . HN 1 2 65 1 1 1 1 15 LYS H . 15 . HN 1 2 65 1 1 1 1 16 ARG H . 16 . HN 1 2 65 1 2 1 1 14 LEU HG . 14 . HG 1 2 66 2 1 1 1 4 LYS QD . 4 . HD# 1 2 66 2 1 1 1 11 LEU QB . 11 . HB# 1 2 66 2 2 1 1 7 LYS QG . 7 . HG# 1 2 66 3 1 1 1 10 LEU HG . 10 . HG 1 2 66 3 1 1 1 12 LYS QG . 12 . HG# 1 2 66 3 2 1 1 11 LEU QB . 11 . HB# 1 2 67 2 1 1 1 12 LYS QB . 12 . HB# 1 2 67 2 1 1 1 15 LYS QD . 15 . HD# 1 2 67 2 1 1 1 16 ARG QG . 16 . HG# 1 2 67 2 2 1 1 13 SER HA . 13 . HA 1 2 67 3 1 1 1 14 LEU HA . 14 . HA 1 2 67 3 2 1 1 15 LYS QD . 15 . HD# 1 2 67 3 2 1 1 16 ARG QG . 16 . HG# 1 2 68 2 1 1 1 11 LEU HG . 11 . HG# 1 2 68 2 1 1 1 12 LYS QD . 12 . HD# 1 2 68 2 1 1 1 15 LYS QG . 15 . HG# 1 2 68 2 2 1 1 13 SER HA . 13 . HA 1 2 68 3 1 1 1 14 LEU HA . 14 . HA 1 2 68 3 2 1 1 15 LYS QG . 15 . HG# 1 2 69 1 1 1 1 15 LYS QD . 15 . HD# 1 2 69 1 1 1 1 16 ARG QG . 16 . HG# 1 2 69 1 2 1 1 17 LEU H . 17 . HN 1 2 70 1 1 1 1 15 LYS H . 15 . HN 1 2 70 1 1 1 1 16 ARG H . 16 . HN 1 2 70 1 2 1 1 17 LEU H . 17 . HN 1 2 71 2 1 1 1 14 LEU H . 14 . HN 1 2 71 2 2 1 1 17 LEU H . 17 . HN 1 2 71 3 1 1 1 14 LEU H . 14 . HN 1 2 71 3 1 1 1 17 LEU H . 17 . HN 1 2 71 3 2 1 1 18 GLY H . 18 . HN 1 2 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 . . . . . 5.0 1.8 8.0 1 2 2 1 . . . . . 5.0 1.8 8.0 1 2 3 2 . . . . . 3.4 1.8 3.4 1 2 3 3 . . . . . 3.4 1.8 3.4 1 2 4 1 . . . . . 3.4 1.8 7.4 1 2 5 1 . . . . . 5.0 1.8 9.0 1 2 6 2 . . . . . 3.4 1.8 6.4 1 2 6 3 . . . . . 3.4 1.8 6.4 1 2 6 4 . . . . . 3.4 1.8 6.4 1 2 7 2 . . . . . 2.8 1.8 6.8 1 2 7 3 . . . . . 2.8 1.8 6.8 1 2 8 1 . . . . . 3.4 1.8 4.4 1 2 9 2 . . . . . 3.4 1.8 4.4 1 2 9 3 . . . . . 3.4 1.8 4.4 1 2 10 2 . . . . . 3.4 1.8 3.4 1 2 10 3 . . . . . 3.4 1.8 3.4 1 2 11 2 . . . . . 3.4 1.8 6.4 1 2 11 3 . . . . . 3.4 1.8 6.4 1 2 12 2 . . . . . 2.8 1.8 2.8 1 2 12 3 . . . . . 2.8 1.8 2.8 1 2 12 4 . . . . . 2.8 1.8 2.8 1 2 13 1 . . . . . 3.4 1.8 6.4 1 2 14 1 . . . . . 2.8 1.8 2.8 1 2 15 2 . . . . . 5.0 1.8 6.0 1 2 15 3 . . . . . 5.0 1.8 6.0 1 2 16 1 . . . . . 5.0 1.8 6.0 1 2 17 1 . . . . . 2.8 1.8 3.8 1 2 18 2 . . . . . 3.4 1.8 4.4 1 2 18 3 . . . . . 3.4 1.8 4.4 1 2 19 2 . . . . . 3.4 1.8 4.4 1 2 19 3 . . . . . 3.4 1.8 4.4 1 2 20 1 . . . . . 3.4 1.8 6.4 1 2 21 1 . . . . . 5.0 1.8 6.0 1 2 22 1 . . . . . 5.0 1.8 6.0 1 2 23 1 . . . . . 5.0 1.8 5.0 1 2 24 1 . . . . . 2.8 1.8 3.8 1 2 25 2 . . . . . 5.0 1.8 6.0 1 2 25 3 . . . . . 5.0 1.8 6.0 1 2 26 2 . . . . . 2.8 1.8 2.8 1 2 26 3 . . . . . 2.8 1.8 2.8 1 2 27 1 . . . . . 5.0 1.8 5.0 1 2 28 1 . . . . . 5.0 1.8 6.0 1 2 29 1 . . . . . 5.0 1.8 6.0 1 2 30 1 . . . . . 5.0 1.8 7.0 1 2 31 1 . . . . . 5.0 1.8 8.0 1 2 32 1 . . . . . 5.0 1.8 5.0 1 2 33 1 . . . . . 5.0 1.8 8.0 1 2 34 2 . . . . . 2.8 1.8 2.8 1 2 34 3 . . . . . 2.8 1.8 2.8 1 2 35 1 . . . . . 5.0 1.8 6.0 1 2 36 1 . . . . . 2.8 1.8 3.8 1 2 37 1 . . . . . 3.4 1.8 4.4 1 2 38 1 . . . . . 5.0 1.8 6.0 1 2 39 1 . . . . . 5.0 1.8 6.0 1 2 40 1 . . . . . 5.0 1.8 6.0 1 2 41 2 . . . . . 3.4 1.8 4.4 1 2 41 3 . . . . . 3.4 1.8 4.4 1 2 42 2 . . . . . 5.0 1.8 6.0 1 2 42 3 . . . . . 5.0 1.8 6.0 1 2 43 1 . . . . . 5.0 1.8 9.0 1 2 44 1 . . . . . 5.0 1.8 9.0 1 2 45 1 . . . . . 5.0 1.8 9.0 1 2 46 1 . . . . . 2.8 1.8 2.8 1 2 47 1 . . . . . 3.4 1.8 3.4 1 2 48 1 . . . . . 2.8 1.8 2.8 1 2 49 1 . . . . . 3.4 1.8 3.4 1 2 50 2 . . . . . 2.8 1.8 2.8 1 2 50 3 . . . . . 2.8 1.8 2.8 1 2 51 2 . . . . . 3.4 1.8 6.4 1 2 51 3 . . . . . 3.4 1.8 6.4 1 2 52 1 . . . . . 2.8 1.8 6.8 1 2 53 1 . . . . . 3.4 1.8 6.4 1 2 54 2 . . . . . 3.4 1.8 4.4 1 2 54 3 . . . . . 3.4 1.8 4.4 1 2 55 1 . . . . . 2.8 1.8 6.8 1 2 56 1 . . . . . 2.8 1.8 6.8 1 2 57 1 . . . . . 2.8 1.8 6.8 1 2 58 1 . . . . . 5.0 1.8 8.0 1 2 59 1 . . . . . 3.4 1.8 6.4 1 2 60 1 . . . . . 5.0 1.8 5.0 1 2 61 1 . . . . . 3.4 1.8 4.4 1 2 62 2 . . . . . 3.4 1.8 7.4 1 2 62 3 . . . . . 3.4 1.8 7.4 1 2 63 1 . . . . . 3.4 1.8 7.4 1 2 64 1 . . . . . 3.4 1.8 7.4 1 2 65 1 . . . . . 3.4 1.8 3.4 1 2 66 2 . . . . . 3.4 1.8 5.4 1 2 66 3 . . . . . 3.4 1.8 5.4 1 2 67 2 . . . . . 5.0 1.8 6.0 1 2 67 3 . . . . . 5.0 1.8 6.0 1 2 68 2 . . . . . 3.4 1.8 4.4 1 2 68 3 . . . . . 3.4 1.8 4.4 1 2 69 1 . . . . . 3.4 1.8 4.4 1 2 70 1 . . . . . 2.8 1.8 2.8 1 2 71 2 . . . . . 2.8 1.8 2.8 1 2 71 3 . . . . . 2.8 1.8 2.8 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 6 1 . . . 1 3 7 1 . . . 1 3 8 1 . . . 1 3 9 1 . . . 1 3 10 1 . . . 1 3 11 1 . . . 1 3 12 1 . . . 1 3 13 1 . . . 1 3 14 1 . . . 1 3 15 1 . . . 1 3 16 1 . . . 1 3 17 1 . . . 1 3 18 1 . . . 1 3 19 1 . . . 1 3 20 1 . . . 1 3 21 1 . . . 1 3 22 1 . . . 1 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 LEU O . 2 . O 1 3 1 1 2 1 1 6 PHE H . 6 . HN 1 3 2 1 1 1 1 2 LEU O . 2 . O 1 3 2 1 2 1 1 6 PHE N . 6 . N 1 3 3 1 1 1 1 3 TYR O . 3 . O 1 3 3 1 2 1 1 7 LYS H . 7 . HN 1 3 4 1 1 1 1 3 TYR O . 3 . O 1 3 4 1 2 1 1 7 LYS N . 7 . N 1 3 5 1 1 1 1 4 LYS O . 4 . O 1 3 5 1 2 1 1 8 LYS H . 8 . HN 1 3 6 1 1 1 1 4 LYS O . 4 . O 1 3 6 1 2 1 1 8 LYS N . 8 . N 1 3 7 1 1 1 1 5 LYS O . 5 . O 1 3 7 1 2 1 1 9 LYS H . 9 . HN 1 3 8 1 1 1 1 5 LYS O . 5 . O 1 3 8 1 2 1 1 9 LYS N . 9 . N 1 3 9 1 1 1 1 6 PHE O . 6 . O 1 3 9 1 2 1 1 10 LEU H . 10 . HN 1 3 10 1 1 1 1 6 PHE O . 6 . O 1 3 10 1 2 1 1 10 LEU N . 10 . N 1 3 11 1 1 1 1 7 LYS O . 7 . O 1 3 11 1 2 1 1 11 LEU H . 11 . HN 1 3 12 1 1 1 1 7 LYS O . 7 . O 1 3 12 1 2 1 1 11 LEU N . 11 . N 1 3 13 1 1 1 1 8 LYS O . 8 . O 1 3 13 1 2 1 1 12 LYS H . 12 . HN 1 3 14 1 1 1 1 8 LYS O . 8 . O 1 3 14 1 2 1 1 12 LYS N . 12 . N 1 3 15 1 1 1 1 9 LYS O . 9 . O 1 3 15 1 2 1 1 13 SER H . 13 . HN 1 3 16 1 1 1 1 9 LYS O . 9 . O 1 3 16 1 2 1 1 13 SER N . 13 . N 1 3 17 1 1 1 1 10 LEU O . 10 . O 1 3 17 1 2 1 1 14 LEU H . 14 . HN 1 3 18 1 1 1 1 10 LEU O . 10 . O 1 3 18 1 2 1 1 14 LEU N . 14 . N 1 3 19 1 1 1 1 11 LEU O . 11 . O 1 3 19 1 2 1 1 15 LYS H . 15 . HN 1 3 20 1 1 1 1 11 LEU O . 11 . O 1 3 20 1 2 1 1 15 LYS N . 15 . N 1 3 21 1 1 1 1 12 LYS O . 12 . O 1 3 21 1 2 1 1 16 ARG H . 16 . HN 1 3 22 1 1 1 1 12 LYS O . 12 . O 1 3 22 1 2 1 1 16 ARG N . 16 . N 1 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.2 1.7 2.4 1 3 2 1 . . . . . 3.3 2.5 3.5 1 3 3 1 . . . . . 2.2 1.7 2.4 1 3 4 1 . . . . . 3.3 2.5 3.5 1 3 5 1 . . . . . 2.2 1.7 2.4 1 3 6 1 . . . . . 3.3 2.5 3.5 1 3 7 1 . . . . . 2.2 1.7 2.4 1 3 8 1 . . . . . 3.3 2.5 3.5 1 3 9 1 . . . . . 2.2 1.7 2.4 1 3 10 1 . . . . . 3.3 2.5 3.5 1 3 11 1 . . . . . 2.2 1.7 2.4 1 3 12 1 . . . . . 3.3 2.5 3.5 1 3 13 1 . . . . . 2.2 1.7 2.4 1 3 14 1 . . . . . 3.3 2.5 3.5 1 3 15 1 . . . . . 2.2 1.7 2.4 1 3 16 1 . . . . . 3.3 2.5 3.5 1 3 17 1 . . . . . 2.2 1.7 2.4 1 3 18 1 . . . . . 3.3 2.5 3.5 1 3 19 1 . . . . . 2.2 1.7 2.4 1 3 20 1 . . . . . 3.3 2.5 3.5 1 3 21 1 . . . . . 2.2 1.7 2.4 1 3 22 1 . . . . . 3.3 2.5 3.5 1 3 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C 1 1 3 TYR N -80.0 0.0 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1 2 . 1 1 2 LEU C 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C -89.99999 -30.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 3 . 1 1 3 TYR N 1 1 3 TYR CA 1 1 3 TYR C 1 1 4 LYS N -80.0 0.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 4 . 1 1 3 TYR C 1 1 4 LYS N 1 1 4 LYS CA 1 1 4 LYS C -89.99999 -30.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 5 . 1 1 4 LYS N 1 1 4 LYS CA 1 1 4 LYS C 1 1 5 LYS N -80.0 0.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 6 . 1 1 4 LYS C 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C -89.99999 -30.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 7 . 1 1 5 LYS N 1 1 5 LYS CA 1 1 5 LYS C 1 1 6 PHE N -80.0 0.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 8 . 1 1 5 LYS C 1 1 6 PHE N 1 1 6 PHE CA 1 1 6 PHE C -89.99999 -30.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 9 . 1 1 6 PHE N 1 1 6 PHE CA 1 1 6 PHE C 1 1 7 LYS N -80.0 0.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 10 . 1 1 6 PHE C 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C -89.99999 -30.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 11 . 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 LYS N -80.0 0.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 12 . 1 1 7 LYS C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -89.99999 -30.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 13 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 LYS N -80.0 0.0 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 14 . 1 1 8 LYS C 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C -89.99999 -30.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 15 . 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C 1 1 10 LEU N -80.0 0.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 16 . 1 1 9 LYS C 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C -89.99999 -30.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 17 . 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C 1 1 11 LEU N -80.0 0.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 18 . 1 1 10 LEU C 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C -89.99999 -30.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 19 . 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C 1 1 12 LYS N -80.0 0.0 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 20 . 1 1 11 LEU C 1 1 12 LYS N 1 1 12 LYS CA 1 1 12 LYS C -89.99999 -30.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 21 . 1 1 12 LYS N 1 1 12 LYS CA 1 1 12 LYS C 1 1 13 SER N -80.0 0.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 22 . 1 1 12 LYS C 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C -89.99999 -30.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 23 . 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C 1 1 14 LEU N -80.0 0.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 24 . 1 1 13 SER C 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C -89.99999 -30.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 25 . 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C 1 1 15 LYS N -80.0 0.0 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 26 . 1 1 14 LEU C 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C -89.99999 -30.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 27 . 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C 1 1 16 ARG N -80.0 0.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1 28 . 1 1 15 LYS C 1 1 16 ARG N 1 1 16 ARG CA 1 1 16 ARG C -89.99999 -30.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 29 . 1 1 16 ARG N 1 1 16 ARG CA 1 1 16 ARG C 1 1 17 LEU N -80.0 0.0 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ALA C C -5.039 13.427 2.566 1.00 . A A . 1 ALA C 1 1 1 2 1 1 1 ALA CA C -4.710 14.694 1.783 1.00 . A A . 1 ALA CA 1 1 1 3 1 1 1 ALA CB C -3.254 15.079 1.987 1.00 . A A . 1 ALA CB 1 1 1 4 1 1 1 ALA H1 H -6.568 15.573 1.886 1.00 . A A . 1 ALA H1 1 1 1 5 1 1 1 ALA H2 H -5.265 16.674 1.697 1.00 . A A . 1 ALA H2 1 1 1 6 1 1 1 ALA H3 H -5.539 15.919 3.214 1.00 . A A . 1 ALA H3 1 1 1 7 1 1 1 ALA HA H -4.861 14.501 0.731 1.00 . A A . 1 ALA HA 1 1 1 8 1 1 1 ALA HB1 H -3.000 15.890 1.320 1.00 . A A . 1 ALA HB1 1 1 1 9 1 1 1 ALA HB2 H -2.624 14.228 1.774 1.00 . A A . 1 ALA HB2 1 1 1 10 1 1 1 ALA HB3 H -3.104 15.393 3.009 1.00 . A A . 1 ALA HB3 1 1 1 11 1 1 1 ALA N N -5.601 15.816 2.181 1.00 . A A . 1 ALA N 1 1 1 12 1 1 1 ALA O O -5.567 13.489 3.676 1.00 . A A . 1 ALA O 1 1 1 13 1 1 2 LEU C C -4.627 9.832 1.684 1.00 . A A . 2 LEU C 1 1 1 14 1 1 2 LEU CA C -4.981 10.986 2.617 1.00 . A A . 2 LEU CA 1 1 1 15 1 1 2 LEU CB C -6.448 10.880 3.048 1.00 . A A . 2 LEU CB 1 1 1 16 1 1 2 LEU CD1 C -8.502 10.742 1.603 1.00 . A A . 2 LEU CD1 1 1 1 17 1 1 2 LEU CD2 C -8.095 12.790 2.988 1.00 . A A . 2 LEU CD2 1 1 1 18 1 1 2 LEU CG C -7.444 11.668 2.184 1.00 . A A . 2 LEU CG 1 1 1 19 1 1 2 LEU H H -4.299 12.293 1.094 1.00 . A A . 2 LEU H 1 1 1 20 1 1 2 LEU HA H -4.355 10.922 3.488 1.00 . A A . 2 LEU HA 1 1 1 21 1 1 2 LEU HB2 H -6.730 9.836 3.027 1.00 . A A . 2 LEU HB2 1 1 1 22 1 1 2 LEU HB3 H -6.528 11.234 4.065 1.00 . A A . 2 LEU HB3 1 1 1 23 1 1 2 LEU HD11 H -9.187 11.313 0.996 1.00 . A A . 2 LEU HD11 1 1 1 24 1 1 2 LEU HD12 H -9.045 10.266 2.406 1.00 . A A . 2 LEU HD12 1 1 1 25 1 1 2 LEU HD13 H -8.026 9.987 0.994 1.00 . A A . 2 LEU HD13 1 1 1 26 1 1 2 LEU HD21 H -7.791 12.719 4.021 1.00 . A A . 2 LEU HD21 1 1 1 27 1 1 2 LEU HD22 H -9.170 12.704 2.922 1.00 . A A . 2 LEU HD22 1 1 1 28 1 1 2 LEU HD23 H -7.787 13.744 2.587 1.00 . A A . 2 LEU HD23 1 1 1 29 1 1 2 LEU HG H -6.911 12.116 1.358 1.00 . A A . 2 LEU HG 1 1 1 30 1 1 2 LEU N N -4.720 12.274 1.978 1.00 . A A . 2 LEU N 1 1 1 31 1 1 2 LEU O O -4.220 8.756 2.123 1.00 . A A . 2 LEU O 1 1 1 32 1 1 3 TYR C C -3.073 8.488 -0.387 1.00 . A A . 3 TYR C 1 1 1 33 1 1 3 TYR CA C -4.476 9.025 -0.591 1.00 . A A . 3 TYR CA 1 1 1 34 1 1 3 TYR CB C -4.647 9.565 -2.011 1.00 . A A . 3 TYR CB 1 1 1 35 1 1 3 TYR CD1 C -7.010 10.129 -1.362 1.00 . A A . 3 TYR CD1 1 1 1 36 1 1 3 TYR CD2 C -6.046 11.291 -3.202 1.00 . A A . 3 TYR CD2 1 1 1 37 1 1 3 TYR CE1 C -8.179 10.834 -1.516 1.00 . A A . 3 TYR CE1 1 1 1 38 1 1 3 TYR CE2 C -7.217 12.005 -3.367 1.00 . A A . 3 TYR CE2 1 1 1 39 1 1 3 TYR CG C -5.925 10.344 -2.197 1.00 . A A . 3 TYR CG 1 1 1 40 1 1 3 TYR CZ C -8.282 11.772 -2.521 1.00 . A A . 3 TYR CZ 1 1 1 41 1 1 3 TYR H H -5.116 10.923 0.095 1.00 . A A . 3 TYR H 1 1 1 42 1 1 3 TYR HA H -5.170 8.219 -0.431 1.00 . A A . 3 TYR HA 1 1 1 43 1 1 3 TYR HB2 H -3.820 10.219 -2.245 1.00 . A A . 3 TYR HB2 1 1 1 44 1 1 3 TYR HB3 H -4.656 8.738 -2.706 1.00 . A A . 3 TYR HB3 1 1 1 45 1 1 3 TYR HD1 H -6.927 9.396 -0.574 1.00 . A A . 3 TYR HD1 1 1 1 46 1 1 3 TYR HD2 H -5.211 11.468 -3.862 1.00 . A A . 3 TYR HD2 1 1 1 47 1 1 3 TYR HE1 H -9.005 10.646 -0.851 1.00 . A A . 3 TYR HE1 1 1 1 48 1 1 3 TYR HE2 H -7.292 12.740 -4.152 1.00 . A A . 3 TYR HE2 1 1 1 49 1 1 3 TYR HH H -9.791 12.732 -1.816 1.00 . A A . 3 TYR HH 1 1 1 50 1 1 3 TYR N N -4.784 10.056 0.392 1.00 . A A . 3 TYR N 1 1 1 51 1 1 3 TYR O O -2.794 7.325 -0.677 1.00 . A A . 3 TYR O 1 1 1 52 1 1 3 TYR OH O -9.449 12.483 -2.678 1.00 . A A . 3 TYR OH 1 1 1 53 1 1 4 LYS C C -0.899 7.676 1.333 1.00 . A A . 4 LYS C 1 1 1 54 1 1 4 LYS CA C -0.841 8.898 0.436 1.00 . A A . 4 LYS CA 1 1 1 55 1 1 4 LYS CB C -0.046 10.035 1.078 1.00 . A A . 4 LYS CB 1 1 1 56 1 1 4 LYS CD C -1.296 11.880 2.245 1.00 . A A . 4 LYS CD 1 1 1 57 1 1 4 LYS CE C -1.854 12.386 3.567 1.00 . A A . 4 LYS CE 1 1 1 58 1 1 4 LYS CG C -0.625 10.522 2.398 1.00 . A A . 4 LYS CG 1 1 1 59 1 1 4 LYS H H -2.485 10.228 0.392 1.00 . A A . 4 LYS H 1 1 1 60 1 1 4 LYS HA H -0.386 8.611 -0.489 1.00 . A A . 4 LYS HA 1 1 1 61 1 1 4 LYS HB2 H 0.965 9.703 1.252 1.00 . A A . 4 LYS HB2 1 1 1 62 1 1 4 LYS HB3 H -0.028 10.871 0.392 1.00 . A A . 4 LYS HB3 1 1 1 63 1 1 4 LYS HD2 H -0.570 12.590 1.878 1.00 . A A . 4 LYS HD2 1 1 1 64 1 1 4 LYS HD3 H -2.105 11.791 1.535 1.00 . A A . 4 LYS HD3 1 1 1 65 1 1 4 LYS HE2 H -2.930 12.442 3.490 1.00 . A A . 4 LYS HE2 1 1 1 66 1 1 4 LYS HE3 H -1.585 11.691 4.348 1.00 . A A . 4 LYS HE3 1 1 1 67 1 1 4 LYS HG2 H -1.355 9.809 2.745 1.00 . A A . 4 LYS HG2 1 1 1 68 1 1 4 LYS HG3 H 0.173 10.604 3.122 1.00 . A A . 4 LYS HG3 1 1 1 69 1 1 4 LYS HZ1 H -2.059 14.298 4.386 1.00 . A A . 4 LYS HZ1 1 1 1 70 1 1 4 LYS HZ2 H -1.021 14.233 3.052 1.00 . A A . 4 LYS HZ2 1 1 1 71 1 1 4 LYS HZ3 H -0.507 13.645 4.551 1.00 . A A . 4 LYS HZ3 1 1 1 72 1 1 4 LYS N N -2.200 9.324 0.153 1.00 . A A . 4 LYS N 1 1 1 73 1 1 4 LYS NZ N -1.323 13.735 3.913 1.00 . A A . 4 LYS NZ 1 1 1 74 1 1 4 LYS O O -0.087 6.753 1.236 1.00 . A A . 4 LYS O 1 1 1 75 1 1 5 LYS C C -2.501 5.329 2.131 1.00 . A A . 5 LYS C 1 1 1 76 1 1 5 LYS CA C -2.156 6.513 3.016 1.00 . A A . 5 LYS CA 1 1 1 77 1 1 5 LYS CB C -3.312 6.817 3.974 1.00 . A A . 5 LYS CB 1 1 1 78 1 1 5 LYS CD C -5.507 5.991 4.873 1.00 . A A . 5 LYS CD 1 1 1 79 1 1 5 LYS CE C -5.626 5.812 6.378 1.00 . A A . 5 LYS CE 1 1 1 80 1 1 5 LYS CG C -4.127 5.598 4.364 1.00 . A A . 5 LYS CG 1 1 1 81 1 1 5 LYS H H -2.570 8.380 2.150 1.00 . A A . 5 LYS H 1 1 1 82 1 1 5 LYS HA H -1.260 6.306 3.569 1.00 . A A . 5 LYS HA 1 1 1 83 1 1 5 LYS HB2 H -2.917 7.263 4.872 1.00 . A A . 5 LYS HB2 1 1 1 84 1 1 5 LYS HB3 H -3.978 7.521 3.494 1.00 . A A . 5 LYS HB3 1 1 1 85 1 1 5 LYS HD2 H -5.686 7.028 4.632 1.00 . A A . 5 LYS HD2 1 1 1 86 1 1 5 LYS HD3 H -6.248 5.374 4.386 1.00 . A A . 5 LYS HD3 1 1 1 87 1 1 5 LYS HE2 H -6.629 5.485 6.611 1.00 . A A . 5 LYS HE2 1 1 1 88 1 1 5 LYS HE3 H -4.918 5.060 6.696 1.00 . A A . 5 LYS HE3 1 1 1 89 1 1 5 LYS HG2 H -4.240 4.969 3.493 1.00 . A A . 5 LYS HG2 1 1 1 90 1 1 5 LYS HG3 H -3.600 5.059 5.135 1.00 . A A . 5 LYS HG3 1 1 1 91 1 1 5 LYS HZ1 H -6.050 7.802 6.846 1.00 . A A . 5 LYS HZ1 1 1 1 92 1 1 5 LYS HZ2 H -4.400 7.431 6.867 1.00 . A A . 5 LYS HZ2 1 1 1 93 1 1 5 LYS HZ3 H -5.396 6.919 8.134 1.00 . A A . 5 LYS HZ3 1 1 1 94 1 1 5 LYS N N -1.925 7.645 2.158 1.00 . A A . 5 LYS N 1 1 1 95 1 1 5 LYS NZ N -5.349 7.080 7.107 1.00 . A A . 5 LYS NZ 1 1 1 96 1 1 5 LYS O O -1.984 4.228 2.288 1.00 . A A . 5 LYS O 1 1 1 97 1 1 6 PHE C C -2.689 3.897 -0.425 1.00 . A A . 6 PHE C 1 1 1 98 1 1 6 PHE CA C -3.856 4.582 0.256 1.00 . A A . 6 PHE CA 1 1 1 99 1 1 6 PHE CB C -4.797 5.185 -0.790 1.00 . A A . 6 PHE CB 1 1 1 100 1 1 6 PHE CD1 C -6.186 5.996 1.159 1.00 . A A . 6 PHE CD1 1 1 1 101 1 1 6 PHE CD2 C -6.886 6.542 -1.055 1.00 . A A . 6 PHE CD2 1 1 1 102 1 1 6 PHE CE1 C -7.267 6.682 1.673 1.00 . A A . 6 PHE CE1 1 1 1 103 1 1 6 PHE CE2 C -7.968 7.231 -0.544 1.00 . A A . 6 PHE CE2 1 1 1 104 1 1 6 PHE CG C -5.980 5.919 -0.214 1.00 . A A . 6 PHE CG 1 1 1 105 1 1 6 PHE CZ C -8.159 7.300 0.820 1.00 . A A . 6 PHE CZ 1 1 1 106 1 1 6 PHE H H -3.756 6.501 1.144 1.00 . A A . 6 PHE H 1 1 1 107 1 1 6 PHE HA H -4.389 3.849 0.819 1.00 . A A . 6 PHE HA 1 1 1 108 1 1 6 PHE HB2 H -4.244 5.883 -1.400 1.00 . A A . 6 PHE HB2 1 1 1 109 1 1 6 PHE HB3 H -5.176 4.392 -1.419 1.00 . A A . 6 PHE HB3 1 1 1 110 1 1 6 PHE HD1 H -5.492 5.513 1.830 1.00 . A A . 6 PHE HD1 1 1 1 111 1 1 6 PHE HD2 H -6.738 6.489 -2.124 1.00 . A A . 6 PHE HD2 1 1 1 112 1 1 6 PHE HE1 H -7.415 6.734 2.742 1.00 . A A . 6 PHE HE1 1 1 1 113 1 1 6 PHE HE2 H -8.666 7.714 -1.213 1.00 . A A . 6 PHE HE2 1 1 1 114 1 1 6 PHE HZ H -8.999 7.842 1.218 1.00 . A A . 6 PHE HZ 1 1 1 115 1 1 6 PHE N N -3.395 5.594 1.195 1.00 . A A . 6 PHE N 1 1 1 116 1 1 6 PHE O O -2.713 2.688 -0.655 1.00 . A A . 6 PHE O 1 1 1 117 1 1 7 LYS C C 0.206 3.150 -0.409 1.00 . A A . 7 LYS C 1 1 1 118 1 1 7 LYS CA C -0.481 4.107 -1.368 1.00 . A A . 7 LYS CA 1 1 1 119 1 1 7 LYS CB C 0.477 5.201 -1.847 1.00 . A A . 7 LYS CB 1 1 1 120 1 1 7 LYS CD C 2.731 4.971 -0.762 1.00 . A A . 7 LYS CD 1 1 1 121 1 1 7 LYS CE C 2.912 4.191 0.529 1.00 . A A . 7 LYS CE 1 1 1 122 1 1 7 LYS CG C 1.411 5.722 -0.770 1.00 . A A . 7 LYS CG 1 1 1 123 1 1 7 LYS H H -1.689 5.619 -0.512 1.00 . A A . 7 LYS H 1 1 1 124 1 1 7 LYS HA H -0.818 3.540 -2.221 1.00 . A A . 7 LYS HA 1 1 1 125 1 1 7 LYS HB2 H 1.076 4.802 -2.650 1.00 . A A . 7 LYS HB2 1 1 1 126 1 1 7 LYS HB3 H -0.105 6.028 -2.222 1.00 . A A . 7 LYS HB3 1 1 1 127 1 1 7 LYS HD2 H 2.752 4.280 -1.593 1.00 . A A . 7 LYS HD2 1 1 1 128 1 1 7 LYS HD3 H 3.540 5.681 -0.860 1.00 . A A . 7 LYS HD3 1 1 1 129 1 1 7 LYS HE2 H 2.117 4.461 1.213 1.00 . A A . 7 LYS HE2 1 1 1 130 1 1 7 LYS HE3 H 2.847 3.137 0.306 1.00 . A A . 7 LYS HE3 1 1 1 131 1 1 7 LYS HG2 H 1.602 6.769 -0.946 1.00 . A A . 7 LYS HG2 1 1 1 132 1 1 7 LYS HG3 H 0.934 5.596 0.187 1.00 . A A . 7 LYS HG3 1 1 1 133 1 1 7 LYS HZ1 H 4.075 4.925 2.100 1.00 . A A . 7 LYS HZ1 1 1 1 134 1 1 7 LYS HZ2 H 4.789 5.109 0.579 1.00 . A A . 7 LYS HZ2 1 1 1 135 1 1 7 LYS HZ3 H 4.751 3.588 1.316 1.00 . A A . 7 LYS HZ3 1 1 1 136 1 1 7 LYS N N -1.659 4.668 -0.731 1.00 . A A . 7 LYS N 1 1 1 137 1 1 7 LYS NZ N 4.223 4.473 1.176 1.00 . A A . 7 LYS NZ 1 1 1 138 1 1 7 LYS O O 0.797 2.168 -0.827 1.00 . A A . 7 LYS O 1 1 1 139 1 1 8 LYS C C 0.115 1.143 1.729 1.00 . A A . 8 LYS C 1 1 1 140 1 1 8 LYS CA C 0.691 2.547 1.893 1.00 . A A . 8 LYS CA 1 1 1 141 1 1 8 LYS CB C 0.445 3.109 3.312 1.00 . A A . 8 LYS CB 1 1 1 142 1 1 8 LYS CD C -1.769 2.874 4.515 1.00 . A A . 8 LYS CD 1 1 1 143 1 1 8 LYS CE C -2.348 2.383 5.833 1.00 . A A . 8 LYS CE 1 1 1 144 1 1 8 LYS CG C -0.417 2.239 4.230 1.00 . A A . 8 LYS CG 1 1 1 145 1 1 8 LYS H H -0.400 4.231 1.171 1.00 . A A . 8 LYS H 1 1 1 146 1 1 8 LYS HA H 1.744 2.498 1.711 1.00 . A A . 8 LYS HA 1 1 1 147 1 1 8 LYS HB2 H 1.403 3.243 3.793 1.00 . A A . 8 LYS HB2 1 1 1 148 1 1 8 LYS HB3 H -0.029 4.074 3.218 1.00 . A A . 8 LYS HB3 1 1 1 149 1 1 8 LYS HD2 H -1.651 3.946 4.561 1.00 . A A . 8 LYS HD2 1 1 1 150 1 1 8 LYS HD3 H -2.450 2.618 3.716 1.00 . A A . 8 LYS HD3 1 1 1 151 1 1 8 LYS HE2 H -1.857 1.461 6.106 1.00 . A A . 8 LYS HE2 1 1 1 152 1 1 8 LYS HE3 H -2.162 3.127 6.592 1.00 . A A . 8 LYS HE3 1 1 1 153 1 1 8 LYS HG2 H -0.579 1.282 3.771 1.00 . A A . 8 LYS HG2 1 1 1 154 1 1 8 LYS HG3 H 0.103 2.105 5.164 1.00 . A A . 8 LYS HG3 1 1 1 155 1 1 8 LYS HZ1 H -4.078 1.317 6.322 1.00 . A A . 8 LYS HZ1 1 1 1 156 1 1 8 LYS HZ2 H -4.086 1.953 4.755 1.00 . A A . 8 LYS HZ2 1 1 1 157 1 1 8 LYS HZ3 H -4.337 2.972 6.082 1.00 . A A . 8 LYS HZ3 1 1 1 158 1 1 8 LYS N N 0.100 3.429 0.888 1.00 . A A . 8 LYS N 1 1 1 159 1 1 8 LYS NZ N -3.815 2.138 5.741 1.00 . A A . 8 LYS NZ 1 1 1 160 1 1 8 LYS O O 0.841 0.145 1.661 1.00 . A A . 8 LYS O 1 1 1 161 1 1 9 LYS C C -1.780 -0.618 0.007 1.00 . A A . 9 LYS C 1 1 1 162 1 1 9 LYS CA C -1.912 -0.161 1.450 1.00 . A A . 9 LYS CA 1 1 1 163 1 1 9 LYS CB C -3.388 0.018 1.860 1.00 . A A . 9 LYS CB 1 1 1 164 1 1 9 LYS CD C -4.774 -2.078 1.722 1.00 . A A . 9 LYS CD 1 1 1 165 1 1 9 LYS CE C -3.601 -3.041 1.758 1.00 . A A . 9 LYS CE 1 1 1 166 1 1 9 LYS CG C -4.402 -0.775 1.038 1.00 . A A . 9 LYS CG 1 1 1 167 1 1 9 LYS H H -1.702 1.926 1.668 1.00 . A A . 9 LYS H 1 1 1 168 1 1 9 LYS HA H -1.452 -0.899 2.087 1.00 . A A . 9 LYS HA 1 1 1 169 1 1 9 LYS HB2 H -3.495 -0.280 2.892 1.00 . A A . 9 LYS HB2 1 1 1 170 1 1 9 LYS HB3 H -3.638 1.067 1.778 1.00 . A A . 9 LYS HB3 1 1 1 171 1 1 9 LYS HD2 H -5.085 -1.868 2.734 1.00 . A A . 9 LYS HD2 1 1 1 172 1 1 9 LYS HD3 H -5.590 -2.537 1.180 1.00 . A A . 9 LYS HD3 1 1 1 173 1 1 9 LYS HE2 H -3.752 -3.796 1.002 1.00 . A A . 9 LYS HE2 1 1 1 174 1 1 9 LYS HE3 H -2.697 -2.495 1.540 1.00 . A A . 9 LYS HE3 1 1 1 175 1 1 9 LYS HG2 H -5.294 -0.180 0.919 1.00 . A A . 9 LYS HG2 1 1 1 176 1 1 9 LYS HG3 H -3.985 -0.994 0.068 1.00 . A A . 9 LYS HG3 1 1 1 177 1 1 9 LYS HZ1 H -3.829 -4.673 3.044 1.00 . A A . 9 LYS HZ1 1 1 1 178 1 1 9 LYS HZ2 H -4.002 -3.175 3.806 1.00 . A A . 9 LYS HZ2 1 1 1 179 1 1 9 LYS HZ3 H -2.465 -3.728 3.372 1.00 . A A . 9 LYS HZ3 1 1 1 180 1 1 9 LYS N N -1.200 1.092 1.634 1.00 . A A . 9 LYS N 1 1 1 181 1 1 9 LYS NZ N -3.464 -3.700 3.088 1.00 . A A . 9 LYS NZ 1 1 1 182 1 1 9 LYS O O -1.820 -1.812 -0.290 1.00 . A A . 9 LYS O 1 1 1 183 1 1 10 LEU C C -0.034 -0.426 -2.586 1.00 . A A . 10 LEU C 1 1 1 184 1 1 10 LEU CA C -1.447 0.033 -2.290 1.00 . A A . 10 LEU CA 1 1 1 185 1 1 10 LEU CB C -1.798 1.240 -3.148 1.00 . A A . 10 LEU CB 1 1 1 186 1 1 10 LEU CD1 C -3.665 1.158 -4.811 1.00 . A A . 10 LEU CD1 1 1 1 187 1 1 10 LEU CD2 C -1.328 1.642 -5.573 1.00 . A A . 10 LEU CD2 1 1 1 188 1 1 10 LEU CG C -2.188 0.883 -4.572 1.00 . A A . 10 LEU CG 1 1 1 189 1 1 10 LEU H H -1.564 1.276 -0.591 1.00 . A A . 10 LEU H 1 1 1 190 1 1 10 LEU HA H -2.116 -0.778 -2.528 1.00 . A A . 10 LEU HA 1 1 1 191 1 1 10 LEU HB2 H -2.619 1.766 -2.683 1.00 . A A . 10 LEU HB2 1 1 1 192 1 1 10 LEU HB3 H -0.941 1.895 -3.182 1.00 . A A . 10 LEU HB3 1 1 1 193 1 1 10 LEU HD11 H -4.002 1.930 -4.133 1.00 . A A . 10 LEU HD11 1 1 1 194 1 1 10 LEU HD12 H -4.233 0.257 -4.636 1.00 . A A . 10 LEU HD12 1 1 1 195 1 1 10 LEU HD13 H -3.812 1.485 -5.830 1.00 . A A . 10 LEU HD13 1 1 1 196 1 1 10 LEU HD21 H -1.797 2.587 -5.808 1.00 . A A . 10 LEU HD21 1 1 1 197 1 1 10 LEU HD22 H -1.225 1.057 -6.476 1.00 . A A . 10 LEU HD22 1 1 1 198 1 1 10 LEU HD23 H -0.352 1.820 -5.147 1.00 . A A . 10 LEU HD23 1 1 1 199 1 1 10 LEU HG H -2.015 -0.174 -4.708 1.00 . A A . 10 LEU HG 1 1 1 200 1 1 10 LEU N N -1.603 0.342 -0.886 1.00 . A A . 10 LEU N 1 1 1 201 1 1 10 LEU O O 0.214 -1.071 -3.597 1.00 . A A . 10 LEU O 1 1 1 202 1 1 11 LEU C C 2.410 -1.969 -1.531 1.00 . A A . 11 LEU C 1 1 1 203 1 1 11 LEU CA C 2.274 -0.498 -1.851 1.00 . A A . 11 LEU CA 1 1 1 204 1 1 11 LEU CB C 3.206 0.349 -0.965 1.00 . A A . 11 LEU CB 1 1 1 205 1 1 11 LEU CD1 C 4.609 -1.275 0.340 1.00 . A A . 11 LEU CD1 1 1 1 206 1 1 11 LEU CD2 C 3.912 0.889 1.387 1.00 . A A . 11 LEU CD2 1 1 1 207 1 1 11 LEU CG C 3.513 -0.223 0.426 1.00 . A A . 11 LEU CG 1 1 1 208 1 1 11 LEU H H 0.609 0.405 -0.902 1.00 . A A . 11 LEU H 1 1 1 209 1 1 11 LEU HA H 2.534 -0.353 -2.883 1.00 . A A . 11 LEU HA 1 1 1 210 1 1 11 LEU HB2 H 4.143 0.473 -1.488 1.00 . A A . 11 LEU HB2 1 1 1 211 1 1 11 LEU HB3 H 2.758 1.322 -0.837 1.00 . A A . 11 LEU HB3 1 1 1 212 1 1 11 LEU HD11 H 5.187 -1.121 -0.560 1.00 . A A . 11 LEU HD11 1 1 1 213 1 1 11 LEU HD12 H 4.163 -2.259 0.315 1.00 . A A . 11 LEU HD12 1 1 1 214 1 1 11 LEU HD13 H 5.255 -1.195 1.202 1.00 . A A . 11 LEU HD13 1 1 1 215 1 1 11 LEU HD21 H 3.078 1.122 2.033 1.00 . A A . 11 LEU HD21 1 1 1 216 1 1 11 LEU HD22 H 4.188 1.769 0.825 1.00 . A A . 11 LEU HD22 1 1 1 217 1 1 11 LEU HD23 H 4.751 0.567 1.986 1.00 . A A . 11 LEU HD23 1 1 1 218 1 1 11 LEU HG H 2.626 -0.696 0.815 1.00 . A A . 11 LEU HG 1 1 1 219 1 1 11 LEU N N 0.882 -0.101 -1.691 1.00 . A A . 11 LEU N 1 1 1 220 1 1 11 LEU O O 3.086 -2.717 -2.237 1.00 . A A . 11 LEU O 1 1 1 221 1 1 12 LYS C C 1.236 -4.629 -1.240 1.00 . A A . 12 LYS C 1 1 1 222 1 1 12 LYS CA C 1.733 -3.778 -0.073 1.00 . A A . 12 LYS CA 1 1 1 223 1 1 12 LYS CB C 0.845 -3.955 1.174 1.00 . A A . 12 LYS CB 1 1 1 224 1 1 12 LYS CD C -1.462 -4.941 0.917 1.00 . A A . 12 LYS CD 1 1 1 225 1 1 12 LYS CE C -2.110 -6.033 0.076 1.00 . A A . 12 LYS CE 1 1 1 226 1 1 12 LYS CG C 0.006 -5.230 1.202 1.00 . A A . 12 LYS CG 1 1 1 227 1 1 12 LYS H H 1.187 -1.729 0.029 1.00 . A A . 12 LYS H 1 1 1 228 1 1 12 LYS HA H 2.748 -4.059 0.161 1.00 . A A . 12 LYS HA 1 1 1 229 1 1 12 LYS HB2 H 1.478 -3.953 2.047 1.00 . A A . 12 LYS HB2 1 1 1 230 1 1 12 LYS HB3 H 0.174 -3.110 1.236 1.00 . A A . 12 LYS HB3 1 1 1 231 1 1 12 LYS HD2 H -1.987 -4.872 1.855 1.00 . A A . 12 LYS HD2 1 1 1 232 1 1 12 LYS HD3 H -1.538 -4.000 0.389 1.00 . A A . 12 LYS HD3 1 1 1 233 1 1 12 LYS HE2 H -1.600 -6.092 -0.870 1.00 . A A . 12 LYS HE2 1 1 1 234 1 1 12 LYS HE3 H -2.016 -6.972 0.595 1.00 . A A . 12 LYS HE3 1 1 1 235 1 1 12 LYS HG2 H 0.381 -5.913 0.461 1.00 . A A . 12 LYS HG2 1 1 1 236 1 1 12 LYS HG3 H 0.090 -5.677 2.182 1.00 . A A . 12 LYS HG3 1 1 1 237 1 1 12 LYS HZ1 H -3.664 -4.870 -0.699 1.00 . A A . 12 LYS HZ1 1 1 1 238 1 1 12 LYS HZ2 H -4.062 -5.682 0.731 1.00 . A A . 12 LYS HZ2 1 1 1 239 1 1 12 LYS HZ3 H -3.972 -6.534 -0.726 1.00 . A A . 12 LYS HZ3 1 1 1 240 1 1 12 LYS N N 1.729 -2.382 -0.476 1.00 . A A . 12 LYS N 1 1 1 241 1 1 12 LYS NZ N -3.554 -5.760 -0.172 1.00 . A A . 12 LYS NZ 1 1 1 242 1 1 12 LYS O O 1.946 -5.522 -1.744 1.00 . A A . 12 LYS O 1 1 1 243 1 1 13 SER C C 0.162 -4.749 -4.072 1.00 . A A . 13 SER C 1 1 1 244 1 1 13 SER CA C -0.613 -4.997 -2.793 1.00 . A A . 13 SER CA 1 1 1 245 1 1 13 SER CB C -2.049 -4.516 -2.968 1.00 . A A . 13 SER CB 1 1 1 246 1 1 13 SER H H -0.464 -3.574 -1.239 1.00 . A A . 13 SER H 1 1 1 247 1 1 13 SER HA H -0.616 -6.056 -2.581 1.00 . A A . 13 SER HA 1 1 1 248 1 1 13 SER HB2 H -2.076 -3.752 -3.731 1.00 . A A . 13 SER HB2 1 1 1 249 1 1 13 SER HB3 H -2.670 -5.345 -3.266 1.00 . A A . 13 SER HB3 1 1 1 250 1 1 13 SER HG H -3.277 -3.372 -1.955 1.00 . A A . 13 SER HG 1 1 1 251 1 1 13 SER N N 0.018 -4.312 -1.676 1.00 . A A . 13 SER N 1 1 1 252 1 1 13 SER O O 0.454 -5.682 -4.818 1.00 . A A . 13 SER O 1 1 1 253 1 1 13 SER OG O -2.553 -3.972 -1.760 1.00 . A A . 13 SER OG 1 1 1 254 1 1 14 LEU C C 2.222 -4.190 -5.902 1.00 . A A . 14 LEU C 1 1 1 255 1 1 14 LEU CA C 1.246 -3.093 -5.506 1.00 . A A . 14 LEU CA 1 1 1 256 1 1 14 LEU CB C 2.016 -1.793 -5.247 1.00 . A A . 14 LEU CB 1 1 1 257 1 1 14 LEU CD1 C 3.356 -0.201 -6.651 1.00 . A A . 14 LEU CD1 1 1 1 258 1 1 14 LEU CD2 C 4.527 -1.903 -5.232 1.00 . A A . 14 LEU CD2 1 1 1 259 1 1 14 LEU CG C 3.292 -1.608 -6.076 1.00 . A A . 14 LEU CG 1 1 1 260 1 1 14 LEU H H 0.226 -2.778 -3.672 1.00 . A A . 14 LEU H 1 1 1 261 1 1 14 LEU HA H 0.545 -2.935 -6.311 1.00 . A A . 14 LEU HA 1 1 1 262 1 1 14 LEU HB2 H 1.355 -0.963 -5.450 1.00 . A A . 14 LEU HB2 1 1 1 263 1 1 14 LEU HB3 H 2.286 -1.770 -4.203 1.00 . A A . 14 LEU HB3 1 1 1 264 1 1 14 LEU HD11 H 2.773 0.467 -6.036 1.00 . A A . 14 LEU HD11 1 1 1 265 1 1 14 LEU HD12 H 2.958 -0.205 -7.656 1.00 . A A . 14 LEU HD12 1 1 1 266 1 1 14 LEU HD13 H 4.382 0.132 -6.673 1.00 . A A . 14 LEU HD13 1 1 1 267 1 1 14 LEU HD21 H 4.223 -2.258 -4.257 1.00 . A A . 14 LEU HD21 1 1 1 268 1 1 14 LEU HD22 H 5.113 -1.003 -5.119 1.00 . A A . 14 LEU HD22 1 1 1 269 1 1 14 LEU HD23 H 5.122 -2.660 -5.720 1.00 . A A . 14 LEU HD23 1 1 1 270 1 1 14 LEU HG H 3.275 -2.308 -6.899 1.00 . A A . 14 LEU HG 1 1 1 271 1 1 14 LEU N N 0.493 -3.477 -4.315 1.00 . A A . 14 LEU N 1 1 1 272 1 1 14 LEU O O 2.187 -4.698 -7.023 1.00 . A A . 14 LEU O 1 1 1 273 1 1 15 LYS C C 3.584 -6.961 -4.853 1.00 . A A . 15 LYS C 1 1 1 274 1 1 15 LYS CA C 4.087 -5.566 -5.237 1.00 . A A . 15 LYS CA 1 1 1 275 1 1 15 LYS CB C 5.396 -5.244 -4.503 1.00 . A A . 15 LYS CB 1 1 1 276 1 1 15 LYS CD C 7.742 -5.913 -5.143 1.00 . A A . 15 LYS CD 1 1 1 277 1 1 15 LYS CE C 8.337 -6.973 -6.057 1.00 . A A . 15 LYS CE 1 1 1 278 1 1 15 LYS CG C 6.422 -6.371 -4.541 1.00 . A A . 15 LYS CG 1 1 1 279 1 1 15 LYS H H 3.085 -4.095 -4.099 1.00 . A A . 15 LYS H 1 1 1 280 1 1 15 LYS HA H 4.280 -5.554 -6.299 1.00 . A A . 15 LYS HA 1 1 1 281 1 1 15 LYS HB2 H 5.839 -4.370 -4.956 1.00 . A A . 15 LYS HB2 1 1 1 282 1 1 15 LYS HB3 H 5.171 -5.027 -3.469 1.00 . A A . 15 LYS HB3 1 1 1 283 1 1 15 LYS HD2 H 7.574 -5.013 -5.715 1.00 . A A . 15 LYS HD2 1 1 1 284 1 1 15 LYS HD3 H 8.439 -5.708 -4.342 1.00 . A A . 15 LYS HD3 1 1 1 285 1 1 15 LYS HE2 H 7.654 -7.150 -6.873 1.00 . A A . 15 LYS HE2 1 1 1 286 1 1 15 LYS HE3 H 9.277 -6.609 -6.445 1.00 . A A . 15 LYS HE3 1 1 1 287 1 1 15 LYS HG2 H 6.598 -6.716 -3.534 1.00 . A A . 15 LYS HG2 1 1 1 288 1 1 15 LYS HG3 H 6.028 -7.182 -5.136 1.00 . A A . 15 LYS HG3 1 1 1 289 1 1 15 LYS HZ1 H 8.410 -9.061 -5.979 1.00 . A A . 15 LYS HZ1 1 1 1 290 1 1 15 LYS HZ2 H 7.930 -8.338 -4.528 1.00 . A A . 15 LYS HZ2 1 1 1 291 1 1 15 LYS HZ3 H 9.555 -8.297 -4.994 1.00 . A A . 15 LYS HZ3 1 1 1 292 1 1 15 LYS N N 3.100 -4.541 -4.973 1.00 . A A . 15 LYS N 1 1 1 293 1 1 15 LYS NZ N 8.574 -8.257 -5.339 1.00 . A A . 15 LYS NZ 1 1 1 294 1 1 15 LYS O O 3.153 -7.726 -5.717 1.00 . A A . 15 LYS O 1 1 1 295 1 1 16 ARG C C 1.774 -8.636 -2.619 1.00 . A A . 16 ARG C 1 1 1 296 1 1 16 ARG CA C 3.215 -8.621 -3.115 1.00 . A A . 16 ARG CA 1 1 1 297 1 1 16 ARG CB C 4.171 -9.169 -2.055 1.00 . A A . 16 ARG CB 1 1 1 298 1 1 16 ARG CD C 3.458 -11.559 -2.267 1.00 . A A . 16 ARG CD 1 1 1 299 1 1 16 ARG CG C 4.623 -10.587 -2.351 1.00 . A A . 16 ARG CG 1 1 1 300 1 1 16 ARG CZ C 3.744 -13.038 -0.318 1.00 . A A . 16 ARG CZ 1 1 1 301 1 1 16 ARG H H 3.995 -6.658 -2.903 1.00 . A A . 16 ARG H 1 1 1 302 1 1 16 ARG HA H 3.265 -9.271 -3.970 1.00 . A A . 16 ARG HA 1 1 1 303 1 1 16 ARG HB2 H 5.044 -8.535 -2.010 1.00 . A A . 16 ARG HB2 1 1 1 304 1 1 16 ARG HB3 H 3.681 -9.163 -1.095 1.00 . A A . 16 ARG HB3 1 1 1 305 1 1 16 ARG HD2 H 2.577 -11.078 -2.663 1.00 . A A . 16 ARG HD2 1 1 1 306 1 1 16 ARG HD3 H 3.686 -12.432 -2.859 1.00 . A A . 16 ARG HD3 1 1 1 307 1 1 16 ARG HE H 2.589 -11.405 -0.361 1.00 . A A . 16 ARG HE 1 1 1 308 1 1 16 ARG HG2 H 5.040 -10.624 -3.347 1.00 . A A . 16 ARG HG2 1 1 1 309 1 1 16 ARG HG3 H 5.374 -10.874 -1.631 1.00 . A A . 16 ARG HG3 1 1 1 310 1 1 16 ARG HH11 H 4.760 -13.634 -1.966 1.00 . A A . 16 ARG HH11 1 1 1 311 1 1 16 ARG HH12 H 4.956 -14.636 -0.569 1.00 . A A . 16 ARG HH12 1 1 1 312 1 1 16 ARG HH21 H 2.872 -12.719 1.475 1.00 . A A . 16 ARG HH21 1 1 1 313 1 1 16 ARG HH22 H 3.888 -14.119 1.384 1.00 . A A . 16 ARG HH22 1 1 1 314 1 1 16 ARG N N 3.653 -7.303 -3.564 1.00 . A A . 16 ARG N 1 1 1 315 1 1 16 ARG NE N 3.197 -11.968 -0.891 1.00 . A A . 16 ARG NE 1 1 1 316 1 1 16 ARG NH1 N 4.554 -13.833 -1.009 1.00 . A A . 16 ARG NH1 1 1 1 317 1 1 16 ARG NH2 N 3.479 -13.315 0.951 1.00 . A A . 16 ARG NH2 1 1 1 318 1 1 16 ARG O O 0.858 -9.025 -3.342 1.00 . A A . 16 ARG O 1 1 1 319 1 1 17 LEU C C 0.480 -8.257 0.826 1.00 . A A . 17 LEU C 1 1 1 320 1 1 17 LEU CA C 0.306 -8.141 -0.690 1.00 . A A . 17 LEU CA 1 1 1 321 1 1 17 LEU CB C -0.670 -9.226 -1.172 1.00 . A A . 17 LEU CB 1 1 1 322 1 1 17 LEU CD1 C -0.793 -10.977 0.626 1.00 . A A . 17 LEU CD1 1 1 1 323 1 1 17 LEU CD2 C -0.907 -11.648 -1.777 1.00 . A A . 17 LEU CD2 1 1 1 324 1 1 17 LEU CG C -0.310 -10.664 -0.782 1.00 . A A . 17 LEU CG 1 1 1 325 1 1 17 LEU H H 2.401 -7.910 -0.881 1.00 . A A . 17 LEU H 1 1 1 326 1 1 17 LEU HA H -0.115 -7.178 -0.906 1.00 . A A . 17 LEU HA 1 1 1 327 1 1 17 LEU HB2 H -1.644 -9.003 -0.759 1.00 . A A . 17 LEU HB2 1 1 1 328 1 1 17 LEU HB3 H -0.740 -9.172 -2.246 1.00 . A A . 17 LEU HB3 1 1 1 329 1 1 17 LEU HD11 H 0.021 -10.849 1.324 1.00 . A A . 17 LEU HD11 1 1 1 330 1 1 17 LEU HD12 H -1.145 -11.998 0.668 1.00 . A A . 17 LEU HD12 1 1 1 331 1 1 17 LEU HD13 H -1.600 -10.309 0.888 1.00 . A A . 17 LEU HD13 1 1 1 332 1 1 17 LEU HD21 H -0.752 -12.656 -1.424 1.00 . A A . 17 LEU HD21 1 1 1 333 1 1 17 LEU HD22 H -0.429 -11.525 -2.737 1.00 . A A . 17 LEU HD22 1 1 1 334 1 1 17 LEU HD23 H -1.966 -11.460 -1.876 1.00 . A A . 17 LEU HD23 1 1 1 335 1 1 17 LEU HG H 0.763 -10.777 -0.802 1.00 . A A . 17 LEU HG 1 1 1 336 1 1 17 LEU N N 1.607 -8.205 -1.369 1.00 . A A . 17 LEU N 1 1 1 337 1 1 17 LEU O O -0.419 -7.905 1.589 1.00 . A A . 17 LEU O 1 1 1 338 1 1 18 GLY C C 3.374 -8.825 3.012 1.00 . A A . 18 GLY C 1 1 1 339 1 1 18 GLY CA C 1.895 -8.883 2.682 1.00 . A A . 18 GLY CA 1 1 1 340 1 1 18 GLY H H 2.325 -9.008 0.615 1.00 . A A . 18 GLY H 1 1 1 341 1 1 18 GLY HA2 H 1.390 -8.083 3.205 1.00 . A A . 18 GLY HA2 1 1 1 342 1 1 18 GLY HA3 H 1.496 -9.827 3.020 1.00 . A A . 18 GLY HA3 1 1 1 343 1 1 18 GLY N N 1.639 -8.744 1.261 1.00 . A A . 18 GLY N 1 1 1 344 1 1 18 GLY O O 3.785 -8.077 3.896 1.00 . A A . 18 GLY O 1 1 2 345 1 1 1 ALA C C -4.999 13.335 2.619 1.00 . A A . 1 ALA C 1 1 2 346 1 1 1 ALA CA C -4.639 14.617 1.870 1.00 . A A . 1 ALA CA 1 1 2 347 1 1 1 ALA CB C -3.316 15.175 2.378 1.00 . A A . 1 ALA CB 1 1 2 348 1 1 1 ALA H1 H -6.032 15.627 3.001 1.00 . A A . 1 ALA H1 1 1 2 349 1 1 1 ALA H2 H -6.485 15.376 1.363 1.00 . A A . 1 ALA H2 1 1 2 350 1 1 1 ALA H3 H -5.307 16.559 1.758 1.00 . A A . 1 ALA H3 1 1 2 351 1 1 1 ALA HA H -4.526 14.388 0.821 1.00 . A A . 1 ALA HA 1 1 2 352 1 1 1 ALA HB1 H -3.062 14.705 3.316 1.00 . A A . 1 ALA HB1 1 1 2 353 1 1 1 ALA HB2 H -3.408 16.242 2.524 1.00 . A A . 1 ALA HB2 1 1 2 354 1 1 1 ALA HB3 H -2.540 14.978 1.654 1.00 . A A . 1 ALA HB3 1 1 2 355 1 1 1 ALA N N -5.713 15.636 2.011 1.00 . A A . 1 ALA N 1 1 2 356 1 1 1 ALA O O -5.329 13.367 3.804 1.00 . A A . 1 ALA O 1 1 2 357 1 1 2 LEU C C -4.834 9.760 1.611 1.00 . A A . 2 LEU C 1 1 2 358 1 1 2 LEU CA C -5.243 10.912 2.522 1.00 . A A . 2 LEU CA 1 1 2 359 1 1 2 LEU CB C -6.738 10.819 2.845 1.00 . A A . 2 LEU CB 1 1 2 360 1 1 2 LEU CD1 C -8.970 10.692 1.704 1.00 . A A . 2 LEU CD1 1 1 2 361 1 1 2 LEU CD2 C -7.947 12.921 2.195 1.00 . A A . 2 LEU CD2 1 1 2 362 1 1 2 LEU CG C -7.669 11.473 1.819 1.00 . A A . 2 LEU CG 1 1 2 363 1 1 2 LEU H H -4.654 12.244 0.981 1.00 . A A . 2 LEU H 1 1 2 364 1 1 2 LEU HA H -4.685 10.837 3.436 1.00 . A A . 2 LEU HA 1 1 2 365 1 1 2 LEU HB2 H -7.001 9.774 2.923 1.00 . A A . 2 LEU HB2 1 1 2 366 1 1 2 LEU HB3 H -6.910 11.289 3.803 1.00 . A A . 2 LEU HB3 1 1 2 367 1 1 2 LEU HD11 H -8.758 9.634 1.728 1.00 . A A . 2 LEU HD11 1 1 2 368 1 1 2 LEU HD12 H -9.458 10.941 0.772 1.00 . A A . 2 LEU HD12 1 1 2 369 1 1 2 LEU HD13 H -9.617 10.949 2.529 1.00 . A A . 2 LEU HD13 1 1 2 370 1 1 2 LEU HD21 H -7.675 13.085 3.227 1.00 . A A . 2 LEU HD21 1 1 2 371 1 1 2 LEU HD22 H -8.999 13.132 2.063 1.00 . A A . 2 LEU HD22 1 1 2 372 1 1 2 LEU HD23 H -7.368 13.576 1.561 1.00 . A A . 2 LEU HD23 1 1 2 373 1 1 2 LEU HG H -7.187 11.464 0.852 1.00 . A A . 2 LEU HG 1 1 2 374 1 1 2 LEU N N -4.928 12.205 1.920 1.00 . A A . 2 LEU N 1 1 2 375 1 1 2 LEU O O -4.396 8.706 2.073 1.00 . A A . 2 LEU O 1 1 2 376 1 1 3 TYR C C -3.204 8.428 -0.391 1.00 . A A . 3 TYR C 1 1 2 377 1 1 3 TYR CA C -4.610 8.926 -0.646 1.00 . A A . 3 TYR CA 1 1 2 378 1 1 3 TYR CB C -4.747 9.437 -2.078 1.00 . A A . 3 TYR CB 1 1 2 379 1 1 3 TYR CD1 C -7.185 9.771 -1.525 1.00 . A A . 3 TYR CD1 1 1 2 380 1 1 3 TYR CD2 C -6.362 10.666 -3.572 1.00 . A A . 3 TYR CD2 1 1 2 381 1 1 3 TYR CE1 C -8.444 10.251 -1.811 1.00 . A A . 3 TYR CE1 1 1 2 382 1 1 3 TYR CE2 C -7.621 11.151 -3.869 1.00 . A A . 3 TYR CE2 1 1 2 383 1 1 3 TYR CG C -6.123 9.969 -2.398 1.00 . A A . 3 TYR CG 1 1 2 384 1 1 3 TYR CZ C -8.660 10.942 -2.985 1.00 . A A . 3 TYR CZ 1 1 2 385 1 1 3 TYR H H -5.326 10.813 -0.004 1.00 . A A . 3 TYR H 1 1 2 386 1 1 3 TYR HA H -5.286 8.104 -0.494 1.00 . A A . 3 TYR HA 1 1 2 387 1 1 3 TYR HB2 H -4.037 10.234 -2.239 1.00 . A A . 3 TYR HB2 1 1 2 388 1 1 3 TYR HB3 H -4.534 8.629 -2.764 1.00 . A A . 3 TYR HB3 1 1 2 389 1 1 3 TYR HD1 H -7.013 9.233 -0.605 1.00 . A A . 3 TYR HD1 1 1 2 390 1 1 3 TYR HD2 H -5.546 10.829 -4.261 1.00 . A A . 3 TYR HD2 1 1 2 391 1 1 3 TYR HE1 H -9.252 10.084 -1.116 1.00 . A A . 3 TYR HE1 1 1 2 392 1 1 3 TYR HE2 H -7.785 11.691 -4.788 1.00 . A A . 3 TYR HE2 1 1 2 393 1 1 3 TYR HH H -10.577 10.806 -2.955 1.00 . A A . 3 TYR HH 1 1 2 394 1 1 3 TYR N N -4.972 9.961 0.313 1.00 . A A . 3 TYR N 1 1 2 395 1 1 3 TYR O O -2.880 7.278 -0.684 1.00 . A A . 3 TYR O 1 1 2 396 1 1 3 TYR OH O -9.917 11.422 -3.277 1.00 . A A . 3 TYR OH 1 1 2 397 1 1 4 LYS C C -1.082 7.671 1.394 1.00 . A A . 4 LYS C 1 1 2 398 1 1 4 LYS CA C -1.023 8.904 0.524 1.00 . A A . 4 LYS CA 1 1 2 399 1 1 4 LYS CB C -0.291 10.071 1.205 1.00 . A A . 4 LYS CB 1 1 2 400 1 1 4 LYS CD C -1.405 10.398 3.482 1.00 . A A . 4 LYS CD 1 1 2 401 1 1 4 LYS CE C -2.067 11.624 2.863 1.00 . A A . 4 LYS CE 1 1 2 402 1 1 4 LYS CG C -0.150 9.956 2.725 1.00 . A A . 4 LYS CG 1 1 2 403 1 1 4 LYS H H -2.703 10.179 0.426 1.00 . A A . 4 LYS H 1 1 2 404 1 1 4 LYS HA H -0.527 8.643 -0.385 1.00 . A A . 4 LYS HA 1 1 2 405 1 1 4 LYS HB2 H 0.701 10.141 0.786 1.00 . A A . 4 LYS HB2 1 1 2 406 1 1 4 LYS HB3 H -0.824 10.982 0.981 1.00 . A A . 4 LYS HB3 1 1 2 407 1 1 4 LYS HD2 H -2.114 9.589 3.491 1.00 . A A . 4 LYS HD2 1 1 2 408 1 1 4 LYS HD3 H -1.123 10.634 4.498 1.00 . A A . 4 LYS HD3 1 1 2 409 1 1 4 LYS HE2 H -2.511 11.344 1.920 1.00 . A A . 4 LYS HE2 1 1 2 410 1 1 4 LYS HE3 H -2.839 11.973 3.532 1.00 . A A . 4 LYS HE3 1 1 2 411 1 1 4 LYS HG2 H 0.055 8.928 2.977 1.00 . A A . 4 LYS HG2 1 1 2 412 1 1 4 LYS HG3 H 0.678 10.570 3.040 1.00 . A A . 4 LYS HG3 1 1 2 413 1 1 4 LYS HZ1 H -0.156 12.452 2.994 1.00 . A A . 4 LYS HZ1 1 1 2 414 1 1 4 LYS HZ2 H -1.404 13.585 3.122 1.00 . A A . 4 LYS HZ2 1 1 2 415 1 1 4 LYS HZ3 H -1.015 12.923 1.615 1.00 . A A . 4 LYS HZ3 1 1 2 416 1 1 4 LYS N N -2.380 9.286 0.192 1.00 . A A . 4 LYS N 1 1 2 417 1 1 4 LYS NZ N -1.093 12.723 2.633 1.00 . A A . 4 LYS NZ 1 1 2 418 1 1 4 LYS O O -0.321 6.719 1.238 1.00 . A A . 4 LYS O 1 1 2 419 1 1 5 LYS C C -2.542 5.339 2.214 1.00 . A A . 5 LYS C 1 1 2 420 1 1 5 LYS CA C -2.276 6.530 3.111 1.00 . A A . 5 LYS CA 1 1 2 421 1 1 5 LYS CB C -3.476 6.786 4.017 1.00 . A A . 5 LYS CB 1 1 2 422 1 1 5 LYS CD C -5.545 5.781 5.015 1.00 . A A . 5 LYS CD 1 1 2 423 1 1 5 LYS CE C -5.589 6.016 6.516 1.00 . A A . 5 LYS CE 1 1 2 424 1 1 5 LYS CG C -4.127 5.519 4.528 1.00 . A A . 5 LYS CG 1 1 2 425 1 1 5 LYS H H -2.668 8.425 2.308 1.00 . A A . 5 LYS H 1 1 2 426 1 1 5 LYS HA H -1.396 6.355 3.698 1.00 . A A . 5 LYS HA 1 1 2 427 1 1 5 LYS HB2 H -3.158 7.373 4.865 1.00 . A A . 5 LYS HB2 1 1 2 428 1 1 5 LYS HB3 H -4.214 7.343 3.457 1.00 . A A . 5 LYS HB3 1 1 2 429 1 1 5 LYS HD2 H -5.930 6.657 4.515 1.00 . A A . 5 LYS HD2 1 1 2 430 1 1 5 LYS HD3 H -6.162 4.927 4.775 1.00 . A A . 5 LYS HD3 1 1 2 431 1 1 5 LYS HE2 H -6.604 5.882 6.856 1.00 . A A . 5 LYS HE2 1 1 2 432 1 1 5 LYS HE3 H -4.949 5.293 6.999 1.00 . A A . 5 LYS HE3 1 1 2 433 1 1 5 LYS HG2 H -4.157 4.803 3.719 1.00 . A A . 5 LYS HG2 1 1 2 434 1 1 5 LYS HG3 H -3.534 5.125 5.337 1.00 . A A . 5 LYS HG3 1 1 2 435 1 1 5 LYS HZ1 H -5.691 7.747 7.680 1.00 . A A . 5 LYS HZ1 1 1 2 436 1 1 5 LYS HZ2 H -5.253 8.030 6.071 1.00 . A A . 5 LYS HZ2 1 1 2 437 1 1 5 LYS HZ3 H -4.130 7.370 7.149 1.00 . A A . 5 LYS HZ3 1 1 2 438 1 1 5 LYS N N -2.054 7.666 2.268 1.00 . A A . 5 LYS N 1 1 2 439 1 1 5 LYS NZ N -5.134 7.386 6.878 1.00 . A A . 5 LYS NZ 1 1 2 440 1 1 5 LYS O O -2.006 4.251 2.399 1.00 . A A . 5 LYS O 1 1 2 441 1 1 6 PHE C C -2.505 3.969 -0.403 1.00 . A A . 6 PHE C 1 1 2 442 1 1 6 PHE CA C -3.740 4.529 0.287 1.00 . A A . 6 PHE CA 1 1 2 443 1 1 6 PHE CB C -4.753 5.031 -0.754 1.00 . A A . 6 PHE CB 1 1 2 444 1 1 6 PHE CD1 C -6.151 5.866 1.188 1.00 . A A . 6 PHE CD1 1 1 2 445 1 1 6 PHE CD2 C -6.887 6.319 -1.036 1.00 . A A . 6 PHE CD2 1 1 2 446 1 1 6 PHE CE1 C -7.252 6.531 1.690 1.00 . A A . 6 PHE CE1 1 1 2 447 1 1 6 PHE CE2 C -7.990 6.984 -0.536 1.00 . A A . 6 PHE CE2 1 1 2 448 1 1 6 PHE CG C -5.953 5.751 -0.184 1.00 . A A . 6 PHE CG 1 1 2 449 1 1 6 PHE CZ C -8.171 7.091 0.830 1.00 . A A . 6 PHE CZ 1 1 2 450 1 1 6 PHE H H -3.770 6.474 1.138 1.00 . A A . 6 PHE H 1 1 2 451 1 1 6 PHE HA H -4.187 3.730 0.856 1.00 . A A . 6 PHE HA 1 1 2 452 1 1 6 PHE HB2 H -4.254 5.711 -1.428 1.00 . A A . 6 PHE HB2 1 1 2 453 1 1 6 PHE HB3 H -5.115 4.183 -1.316 1.00 . A A . 6 PHE HB3 1 1 2 454 1 1 6 PHE HD1 H -5.436 5.429 1.868 1.00 . A A . 6 PHE HD1 1 1 2 455 1 1 6 PHE HD2 H -6.747 6.237 -2.103 1.00 . A A . 6 PHE HD2 1 1 2 456 1 1 6 PHE HE1 H -7.394 6.614 2.759 1.00 . A A . 6 PHE HE1 1 1 2 457 1 1 6 PHE HE2 H -8.708 7.420 -1.213 1.00 . A A . 6 PHE HE2 1 1 2 458 1 1 6 PHE HZ H -9.029 7.612 1.225 1.00 . A A . 6 PHE HZ 1 1 2 459 1 1 6 PHE N N -3.382 5.574 1.229 1.00 . A A . 6 PHE N 1 1 2 460 1 1 6 PHE O O -2.534 2.854 -0.912 1.00 . A A . 6 PHE O 1 1 2 461 1 1 7 LYS C C 0.414 3.166 -0.110 1.00 . A A . 7 LYS C 1 1 2 462 1 1 7 LYS CA C -0.181 4.235 -1.000 1.00 . A A . 7 LYS CA 1 1 2 463 1 1 7 LYS CB C 0.832 5.356 -1.239 1.00 . A A . 7 LYS CB 1 1 2 464 1 1 7 LYS CD C 2.900 4.980 0.152 1.00 . A A . 7 LYS CD 1 1 2 465 1 1 7 LYS CE C 3.014 4.378 1.545 1.00 . A A . 7 LYS CE 1 1 2 466 1 1 7 LYS CG C 1.611 5.765 0.001 1.00 . A A . 7 LYS CG 1 1 2 467 1 1 7 LYS H H -1.418 5.595 0.048 1.00 . A A . 7 LYS H 1 1 2 468 1 1 7 LYS HA H -0.440 3.787 -1.945 1.00 . A A . 7 LYS HA 1 1 2 469 1 1 7 LYS HB2 H 1.537 5.023 -1.984 1.00 . A A . 7 LYS HB2 1 1 2 470 1 1 7 LYS HB3 H 0.308 6.221 -1.613 1.00 . A A . 7 LYS HB3 1 1 2 471 1 1 7 LYS HD2 H 2.915 4.186 -0.577 1.00 . A A . 7 LYS HD2 1 1 2 472 1 1 7 LYS HD3 H 3.737 5.642 -0.015 1.00 . A A . 7 LYS HD3 1 1 2 473 1 1 7 LYS HE2 H 2.055 4.459 2.037 1.00 . A A . 7 LYS HE2 1 1 2 474 1 1 7 LYS HE3 H 3.279 3.338 1.453 1.00 . A A . 7 LYS HE3 1 1 2 475 1 1 7 LYS HG2 H 1.846 6.816 -0.061 1.00 . A A . 7 LYS HG2 1 1 2 476 1 1 7 LYS HG3 H 0.997 5.586 0.867 1.00 . A A . 7 LYS HG3 1 1 2 477 1 1 7 LYS HZ1 H 3.733 5.099 3.368 1.00 . A A . 7 LYS HZ1 1 1 2 478 1 1 7 LYS HZ2 H 4.177 6.042 2.035 1.00 . A A . 7 LYS HZ2 1 1 2 479 1 1 7 LYS HZ3 H 4.944 4.561 2.316 1.00 . A A . 7 LYS HZ3 1 1 2 480 1 1 7 LYS N N -1.407 4.723 -0.393 1.00 . A A . 7 LYS N 1 1 2 481 1 1 7 LYS NZ N 4.039 5.068 2.373 1.00 . A A . 7 LYS NZ 1 1 2 482 1 1 7 LYS O O 0.967 2.182 -0.590 1.00 . A A . 7 LYS O 1 1 2 483 1 1 8 LYS C C 0.164 1.015 1.858 1.00 . A A . 8 LYS C 1 1 2 484 1 1 8 LYS CA C 0.786 2.374 2.149 1.00 . A A . 8 LYS CA 1 1 2 485 1 1 8 LYS CB C 0.505 2.811 3.600 1.00 . A A . 8 LYS CB 1 1 2 486 1 1 8 LYS CD C -1.203 1.115 4.391 1.00 . A A . 8 LYS CD 1 1 2 487 1 1 8 LYS CE C -1.626 0.910 5.836 1.00 . A A . 8 LYS CE 1 1 2 488 1 1 8 LYS CG C -0.926 2.577 4.087 1.00 . A A . 8 LYS CG 1 1 2 489 1 1 8 LYS H H -0.187 4.169 1.523 1.00 . A A . 8 LYS H 1 1 2 490 1 1 8 LYS HA H 1.843 2.300 2.004 1.00 . A A . 8 LYS HA 1 1 2 491 1 1 8 LYS HB2 H 1.171 2.277 4.257 1.00 . A A . 8 LYS HB2 1 1 2 492 1 1 8 LYS HB3 H 0.714 3.869 3.681 1.00 . A A . 8 LYS HB3 1 1 2 493 1 1 8 LYS HD2 H -1.999 0.776 3.740 1.00 . A A . 8 LYS HD2 1 1 2 494 1 1 8 LYS HD3 H -0.308 0.542 4.199 1.00 . A A . 8 LYS HD3 1 1 2 495 1 1 8 LYS HE2 H -1.556 -0.142 6.073 1.00 . A A . 8 LYS HE2 1 1 2 496 1 1 8 LYS HE3 H -0.957 1.467 6.477 1.00 . A A . 8 LYS HE3 1 1 2 497 1 1 8 LYS HG2 H -1.086 3.152 4.985 1.00 . A A . 8 LYS HG2 1 1 2 498 1 1 8 LYS HG3 H -1.612 2.905 3.326 1.00 . A A . 8 LYS HG3 1 1 2 499 1 1 8 LYS HZ1 H -3.584 1.260 5.206 1.00 . A A . 8 LYS HZ1 1 1 2 500 1 1 8 LYS HZ2 H -3.027 2.368 6.356 1.00 . A A . 8 LYS HZ2 1 1 2 501 1 1 8 LYS HZ3 H -3.458 0.803 6.831 1.00 . A A . 8 LYS HZ3 1 1 2 502 1 1 8 LYS N N 0.276 3.357 1.197 1.00 . A A . 8 LYS N 1 1 2 503 1 1 8 LYS NZ N -3.022 1.367 6.075 1.00 . A A . 8 LYS NZ 1 1 2 504 1 1 8 LYS O O 0.840 -0.023 1.848 1.00 . A A . 8 LYS O 1 1 2 505 1 1 9 LYS C C -1.732 -0.501 -0.180 1.00 . A A . 9 LYS C 1 1 2 506 1 1 9 LYS CA C -1.883 -0.155 1.288 1.00 . A A . 9 LYS CA 1 1 2 507 1 1 9 LYS CB C -3.362 0.033 1.638 1.00 . A A . 9 LYS CB 1 1 2 508 1 1 9 LYS CD C -4.127 -2.327 2.069 1.00 . A A . 9 LYS CD 1 1 2 509 1 1 9 LYS CE C -5.036 -2.258 0.849 1.00 . A A . 9 LYS CE 1 1 2 510 1 1 9 LYS CG C -3.882 -0.952 2.673 1.00 . A A . 9 LYS CG 1 1 2 511 1 1 9 LYS H H -1.586 1.920 1.610 1.00 . A A . 9 LYS H 1 1 2 512 1 1 9 LYS HA H -1.469 -0.960 1.871 1.00 . A A . 9 LYS HA 1 1 2 513 1 1 9 LYS HB2 H -3.501 1.031 2.024 1.00 . A A . 9 LYS HB2 1 1 2 514 1 1 9 LYS HB3 H -3.950 -0.079 0.740 1.00 . A A . 9 LYS HB3 1 1 2 515 1 1 9 LYS HD2 H -3.181 -2.748 1.775 1.00 . A A . 9 LYS HD2 1 1 2 516 1 1 9 LYS HD3 H -4.588 -2.957 2.814 1.00 . A A . 9 LYS HD3 1 1 2 517 1 1 9 LYS HE2 H -5.741 -1.450 0.986 1.00 . A A . 9 LYS HE2 1 1 2 518 1 1 9 LYS HE3 H -4.431 -2.061 -0.023 1.00 . A A . 9 LYS HE3 1 1 2 519 1 1 9 LYS HG2 H -3.154 -1.045 3.465 1.00 . A A . 9 LYS HG2 1 1 2 520 1 1 9 LYS HG3 H -4.811 -0.576 3.078 1.00 . A A . 9 LYS HG3 1 1 2 521 1 1 9 LYS HZ1 H -5.675 -4.149 1.467 1.00 . A A . 9 LYS HZ1 1 1 2 522 1 1 9 LYS HZ2 H -5.433 -4.019 -0.203 1.00 . A A . 9 LYS HZ2 1 1 2 523 1 1 9 LYS HZ3 H -6.800 -3.324 0.510 1.00 . A A . 9 LYS HZ3 1 1 2 524 1 1 9 LYS N N -1.129 1.050 1.601 1.00 . A A . 9 LYS N 1 1 2 525 1 1 9 LYS NZ N -5.789 -3.526 0.642 1.00 . A A . 9 LYS NZ 1 1 2 526 1 1 9 LYS O O -1.754 -1.668 -0.562 1.00 . A A . 9 LYS O 1 1 2 527 1 1 10 LEU C C 0.103 -0.024 -2.681 1.00 . A A . 10 LEU C 1 1 2 528 1 1 10 LEU CA C -1.353 0.312 -2.414 1.00 . A A . 10 LEU CA 1 1 2 529 1 1 10 LEU CB C -1.774 1.554 -3.196 1.00 . A A . 10 LEU CB 1 1 2 530 1 1 10 LEU CD1 C -3.381 1.270 -5.090 1.00 . A A . 10 LEU CD1 1 1 2 531 1 1 10 LEU CD2 C -1.222 2.483 -5.450 1.00 . A A . 10 LEU CD2 1 1 2 532 1 1 10 LEU CG C -1.912 1.353 -4.701 1.00 . A A . 10 LEU CG 1 1 2 533 1 1 10 LEU H H -1.508 1.429 -0.630 1.00 . A A . 10 LEU H 1 1 2 534 1 1 10 LEU HA H -1.957 -0.529 -2.714 1.00 . A A . 10 LEU HA 1 1 2 535 1 1 10 LEU HB2 H -2.727 1.886 -2.811 1.00 . A A . 10 LEU HB2 1 1 2 536 1 1 10 LEU HB3 H -1.044 2.327 -3.023 1.00 . A A . 10 LEU HB3 1 1 2 537 1 1 10 LEU HD11 H -3.745 0.270 -4.914 1.00 . A A . 10 LEU HD11 1 1 2 538 1 1 10 LEU HD12 H -3.492 1.514 -6.137 1.00 . A A . 10 LEU HD12 1 1 2 539 1 1 10 LEU HD13 H -3.950 1.970 -4.496 1.00 . A A . 10 LEU HD13 1 1 2 540 1 1 10 LEU HD21 H -1.820 3.379 -5.377 1.00 . A A . 10 LEU HD21 1 1 2 541 1 1 10 LEU HD22 H -1.106 2.212 -6.489 1.00 . A A . 10 LEU HD22 1 1 2 542 1 1 10 LEU HD23 H -0.251 2.663 -5.013 1.00 . A A . 10 LEU HD23 1 1 2 543 1 1 10 LEU HG H -1.435 0.423 -4.975 1.00 . A A . 10 LEU HG 1 1 2 544 1 1 10 LEU N N -1.545 0.519 -0.995 1.00 . A A . 10 LEU N 1 1 2 545 1 1 10 LEU O O 0.498 -0.243 -3.818 1.00 . A A . 10 LEU O 1 1 2 546 1 1 11 LEU C C 2.501 -1.876 -1.521 1.00 . A A . 11 LEU C 1 1 2 547 1 1 11 LEU CA C 2.295 -0.389 -1.674 1.00 . A A . 11 LEU CA 1 1 2 548 1 1 11 LEU CB C 3.070 0.360 -0.586 1.00 . A A . 11 LEU CB 1 1 2 549 1 1 11 LEU CD1 C 4.785 2.078 0.016 1.00 . A A . 11 LEU CD1 1 1 2 550 1 1 11 LEU CD2 C 4.528 1.362 -2.367 1.00 . A A . 11 LEU CD2 1 1 2 551 1 1 11 LEU CG C 3.804 1.615 -1.050 1.00 . A A . 11 LEU CG 1 1 2 552 1 1 11 LEU H H 0.488 0.115 -0.735 1.00 . A A . 11 LEU H 1 1 2 553 1 1 11 LEU HA H 2.651 -0.094 -2.638 1.00 . A A . 11 LEU HA 1 1 2 554 1 1 11 LEU HB2 H 2.373 0.645 0.188 1.00 . A A . 11 LEU HB2 1 1 2 555 1 1 11 LEU HB3 H 3.797 -0.316 -0.160 1.00 . A A . 11 LEU HB3 1 1 2 556 1 1 11 LEU HD11 H 4.778 3.157 0.068 1.00 . A A . 11 LEU HD11 1 1 2 557 1 1 11 LEU HD12 H 5.778 1.737 -0.234 1.00 . A A . 11 LEU HD12 1 1 2 558 1 1 11 LEU HD13 H 4.495 1.671 0.974 1.00 . A A . 11 LEU HD13 1 1 2 559 1 1 11 LEU HD21 H 4.730 0.306 -2.468 1.00 . A A . 11 LEU HD21 1 1 2 560 1 1 11 LEU HD22 H 5.458 1.910 -2.378 1.00 . A A . 11 LEU HD22 1 1 2 561 1 1 11 LEU HD23 H 3.907 1.689 -3.188 1.00 . A A . 11 LEU HD23 1 1 2 562 1 1 11 LEU HG H 3.079 2.401 -1.204 1.00 . A A . 11 LEU HG 1 1 2 563 1 1 11 LEU N N 0.882 -0.068 -1.605 1.00 . A A . 11 LEU N 1 1 2 564 1 1 11 LEU O O 3.102 -2.525 -2.377 1.00 . A A . 11 LEU O 1 1 2 565 1 1 12 LYS C C 1.424 -4.600 -1.333 1.00 . A A . 12 LYS C 1 1 2 566 1 1 12 LYS CA C 2.109 -3.854 -0.194 1.00 . A A . 12 LYS CA 1 1 2 567 1 1 12 LYS CB C 1.522 -4.234 1.182 1.00 . A A . 12 LYS CB 1 1 2 568 1 1 12 LYS CD C -0.964 -3.840 1.092 1.00 . A A . 12 LYS CD 1 1 2 569 1 1 12 LYS CE C -2.175 -4.350 0.325 1.00 . A A . 12 LYS CE 1 1 2 570 1 1 12 LYS CG C 0.138 -4.879 1.151 1.00 . A A . 12 LYS CG 1 1 2 571 1 1 12 LYS H H 1.499 -1.845 0.216 1.00 . A A . 12 LYS H 1 1 2 572 1 1 12 LYS HA H 3.159 -4.097 -0.210 1.00 . A A . 12 LYS HA 1 1 2 573 1 1 12 LYS HB2 H 2.197 -4.926 1.662 1.00 . A A . 12 LYS HB2 1 1 2 574 1 1 12 LYS HB3 H 1.460 -3.339 1.784 1.00 . A A . 12 LYS HB3 1 1 2 575 1 1 12 LYS HD2 H -1.266 -3.594 2.098 1.00 . A A . 12 LYS HD2 1 1 2 576 1 1 12 LYS HD3 H -0.583 -2.959 0.602 1.00 . A A . 12 LYS HD3 1 1 2 577 1 1 12 LYS HE2 H -2.739 -3.506 -0.038 1.00 . A A . 12 LYS HE2 1 1 2 578 1 1 12 LYS HE3 H -1.832 -4.941 -0.511 1.00 . A A . 12 LYS HE3 1 1 2 579 1 1 12 LYS HG2 H 0.062 -5.518 0.288 1.00 . A A . 12 LYS HG2 1 1 2 580 1 1 12 LYS HG3 H 0.011 -5.470 2.046 1.00 . A A . 12 LYS HG3 1 1 2 581 1 1 12 LYS HZ1 H -2.602 -6.096 1.386 1.00 . A A . 12 LYS HZ1 1 1 2 582 1 1 12 LYS HZ2 H -3.960 -5.371 0.687 1.00 . A A . 12 LYS HZ2 1 1 2 583 1 1 12 LYS HZ3 H -3.263 -4.699 2.074 1.00 . A A . 12 LYS HZ3 1 1 2 584 1 1 12 LYS N N 1.986 -2.420 -0.430 1.00 . A A . 12 LYS N 1 1 2 585 1 1 12 LYS NZ N -3.062 -5.187 1.178 1.00 . A A . 12 LYS NZ 1 1 2 586 1 1 12 LYS O O 1.981 -5.549 -1.918 1.00 . A A . 12 LYS O 1 1 2 587 1 1 13 SER C C 0.114 -4.442 -4.059 1.00 . A A . 13 SER C 1 1 2 588 1 1 13 SER CA C -0.582 -4.670 -2.734 1.00 . A A . 13 SER CA 1 1 2 589 1 1 13 SER CB C -1.956 -4.004 -2.764 1.00 . A A . 13 SER CB 1 1 2 590 1 1 13 SER H H -0.124 -3.346 -1.163 1.00 . A A . 13 SER H 1 1 2 591 1 1 13 SER HA H -0.697 -5.728 -2.564 1.00 . A A . 13 SER HA 1 1 2 592 1 1 13 SER HB2 H -2.048 -3.338 -1.921 1.00 . A A . 13 SER HB2 1 1 2 593 1 1 13 SER HB3 H -2.058 -3.438 -3.681 1.00 . A A . 13 SER HB3 1 1 2 594 1 1 13 SER HG H -3.129 -5.349 -3.570 1.00 . A A . 13 SER HG 1 1 2 595 1 1 13 SER N N 0.221 -4.120 -1.657 1.00 . A A . 13 SER N 1 1 2 596 1 1 13 SER O O 0.214 -5.347 -4.887 1.00 . A A . 13 SER O 1 1 2 597 1 1 13 SER OG O -2.995 -4.964 -2.701 1.00 . A A . 13 SER OG 1 1 2 598 1 1 14 LEU C C 2.179 -3.975 -5.946 1.00 . A A . 14 LEU C 1 1 2 599 1 1 14 LEU CA C 1.300 -2.835 -5.464 1.00 . A A . 14 LEU CA 1 1 2 600 1 1 14 LEU CB C 2.141 -1.578 -5.197 1.00 . A A . 14 LEU CB 1 1 2 601 1 1 14 LEU CD1 C 3.787 -0.260 -6.571 1.00 . A A . 14 LEU CD1 1 1 2 602 1 1 14 LEU CD2 C 4.598 -1.699 -4.699 1.00 . A A . 14 LEU CD2 1 1 2 603 1 1 14 LEU CG C 3.555 -1.549 -5.796 1.00 . A A . 14 LEU CG 1 1 2 604 1 1 14 LEU H H 0.481 -2.541 -3.535 1.00 . A A . 14 LEU H 1 1 2 605 1 1 14 LEU HA H 0.563 -2.615 -6.220 1.00 . A A . 14 LEU HA 1 1 2 606 1 1 14 LEU HB2 H 1.597 -0.731 -5.582 1.00 . A A . 14 LEU HB2 1 1 2 607 1 1 14 LEU HB3 H 2.228 -1.470 -4.125 1.00 . A A . 14 LEU HB3 1 1 2 608 1 1 14 LEU HD11 H 4.828 0.018 -6.503 1.00 . A A . 14 LEU HD11 1 1 2 609 1 1 14 LEU HD12 H 3.177 0.527 -6.152 1.00 . A A . 14 LEU HD12 1 1 2 610 1 1 14 LEU HD13 H 3.522 -0.409 -7.607 1.00 . A A . 14 LEU HD13 1 1 2 611 1 1 14 LEU HD21 H 4.357 -1.037 -3.882 1.00 . A A . 14 LEU HD21 1 1 2 612 1 1 14 LEU HD22 H 5.573 -1.447 -5.091 1.00 . A A . 14 LEU HD22 1 1 2 613 1 1 14 LEU HD23 H 4.606 -2.718 -4.344 1.00 . A A . 14 LEU HD23 1 1 2 614 1 1 14 LEU HG H 3.666 -2.372 -6.480 1.00 . A A . 14 LEU HG 1 1 2 615 1 1 14 LEU N N 0.597 -3.214 -4.245 1.00 . A A . 14 LEU N 1 1 2 616 1 1 14 LEU O O 2.048 -4.439 -7.078 1.00 . A A . 14 LEU O 1 1 2 617 1 1 15 LYS C C 3.422 -6.864 -5.070 1.00 . A A . 15 LYS C 1 1 2 618 1 1 15 LYS CA C 3.980 -5.491 -5.443 1.00 . A A . 15 LYS CA 1 1 2 619 1 1 15 LYS CB C 5.349 -5.277 -4.797 1.00 . A A . 15 LYS CB 1 1 2 620 1 1 15 LYS CD C 6.758 -7.302 -4.326 1.00 . A A . 15 LYS CD 1 1 2 621 1 1 15 LYS CE C 6.742 -8.679 -4.970 1.00 . A A . 15 LYS CE 1 1 2 622 1 1 15 LYS CG C 6.419 -6.214 -5.331 1.00 . A A . 15 LYS CG 1 1 2 623 1 1 15 LYS H H 3.146 -4.004 -4.196 1.00 . A A . 15 LYS H 1 1 2 624 1 1 15 LYS HA H 4.103 -5.459 -6.515 1.00 . A A . 15 LYS HA 1 1 2 625 1 1 15 LYS HB2 H 5.667 -4.263 -4.984 1.00 . A A . 15 LYS HB2 1 1 2 626 1 1 15 LYS HB3 H 5.265 -5.427 -3.732 1.00 . A A . 15 LYS HB3 1 1 2 627 1 1 15 LYS HD2 H 7.742 -7.114 -3.926 1.00 . A A . 15 LYS HD2 1 1 2 628 1 1 15 LYS HD3 H 6.032 -7.281 -3.527 1.00 . A A . 15 LYS HD3 1 1 2 629 1 1 15 LYS HE2 H 5.819 -9.175 -4.708 1.00 . A A . 15 LYS HE2 1 1 2 630 1 1 15 LYS HE3 H 6.796 -8.563 -6.043 1.00 . A A . 15 LYS HE3 1 1 2 631 1 1 15 LYS HG2 H 6.057 -6.674 -6.238 1.00 . A A . 15 LYS HG2 1 1 2 632 1 1 15 LYS HG3 H 7.309 -5.643 -5.545 1.00 . A A . 15 LYS HG3 1 1 2 633 1 1 15 LYS HZ1 H 7.803 -10.476 -4.901 1.00 . A A . 15 LYS HZ1 1 1 2 634 1 1 15 LYS HZ2 H 7.898 -9.569 -3.476 1.00 . A A . 15 LYS HZ2 1 1 2 635 1 1 15 LYS HZ3 H 8.782 -9.097 -4.838 1.00 . A A . 15 LYS HZ3 1 1 2 636 1 1 15 LYS N N 3.081 -4.415 -5.084 1.00 . A A . 15 LYS N 1 1 2 637 1 1 15 LYS NZ N 7.886 -9.514 -4.515 1.00 . A A . 15 LYS NZ 1 1 2 638 1 1 15 LYS O O 2.875 -7.566 -5.922 1.00 . A A . 15 LYS O 1 1 2 639 1 1 16 ARG C C 1.690 -8.499 -2.749 1.00 . A A . 16 ARG C 1 1 2 640 1 1 16 ARG CA C 3.083 -8.561 -3.360 1.00 . A A . 16 ARG CA 1 1 2 641 1 1 16 ARG CB C 4.082 -9.211 -2.395 1.00 . A A . 16 ARG CB 1 1 2 642 1 1 16 ARG CD C 3.085 -11.499 -2.141 1.00 . A A . 16 ARG CD 1 1 2 643 1 1 16 ARG CG C 4.273 -10.698 -2.647 1.00 . A A . 16 ARG CG 1 1 2 644 1 1 16 ARG CZ C 3.970 -12.706 -0.186 1.00 . A A . 16 ARG CZ 1 1 2 645 1 1 16 ARG H H 3.999 -6.661 -3.153 1.00 . A A . 16 ARG H 1 1 2 646 1 1 16 ARG HA H 3.021 -9.183 -4.236 1.00 . A A . 16 ARG HA 1 1 2 647 1 1 16 ARG HB2 H 5.039 -8.724 -2.506 1.00 . A A . 16 ARG HB2 1 1 2 648 1 1 16 ARG HB3 H 3.737 -9.084 -1.384 1.00 . A A . 16 ARG HB3 1 1 2 649 1 1 16 ARG HD2 H 2.181 -10.939 -2.331 1.00 . A A . 16 ARG HD2 1 1 2 650 1 1 16 ARG HD3 H 3.047 -12.438 -2.675 1.00 . A A . 16 ARG HD3 1 1 2 651 1 1 16 ARG HE H 2.635 -11.220 -0.107 1.00 . A A . 16 ARG HE 1 1 2 652 1 1 16 ARG HG2 H 4.382 -10.863 -3.708 1.00 . A A . 16 ARG HG2 1 1 2 653 1 1 16 ARG HG3 H 5.165 -11.028 -2.135 1.00 . A A . 16 ARG HG3 1 1 2 654 1 1 16 ARG HH11 H 4.663 -13.361 -1.970 1.00 . A A . 16 ARG HH11 1 1 2 655 1 1 16 ARG HH12 H 5.297 -14.181 -0.583 1.00 . A A . 16 ARG HH12 1 1 2 656 1 1 16 ARG HH21 H 3.467 -12.294 1.727 1.00 . A A . 16 ARG HH21 1 1 2 657 1 1 16 ARG HH22 H 4.615 -13.573 1.521 1.00 . A A . 16 ARG HH22 1 1 2 658 1 1 16 ARG N N 3.569 -7.260 -3.804 1.00 . A A . 16 ARG N 1 1 2 659 1 1 16 ARG NE N 3.180 -11.771 -0.709 1.00 . A A . 16 ARG NE 1 1 2 660 1 1 16 ARG NH1 N 4.703 -13.480 -0.978 1.00 . A A . 16 ARG NH1 1 1 2 661 1 1 16 ARG NH2 N 4.021 -12.872 1.129 1.00 . A A . 16 ARG NH2 1 1 2 662 1 1 16 ARG O O 0.694 -8.829 -3.392 1.00 . A A . 16 ARG O 1 1 2 663 1 1 17 LEU C C 0.763 -8.098 0.799 1.00 . A A . 17 LEU C 1 1 2 664 1 1 17 LEU CA C 0.430 -7.982 -0.694 1.00 . A A . 17 LEU CA 1 1 2 665 1 1 17 LEU CB C -0.590 -9.055 -1.112 1.00 . A A . 17 LEU CB 1 1 2 666 1 1 17 LEU CD1 C -2.323 -8.698 0.679 1.00 . A A . 17 LEU CD1 1 1 2 667 1 1 17 LEU CD2 C -2.197 -10.895 -0.506 1.00 . A A . 17 LEU CD2 1 1 2 668 1 1 17 LEU CG C -1.398 -9.710 0.020 1.00 . A A . 17 LEU CG 1 1 2 669 1 1 17 LEU H H 2.503 -7.856 -1.055 1.00 . A A . 17 LEU H 1 1 2 670 1 1 17 LEU HA H 0.010 -7.008 -0.876 1.00 . A A . 17 LEU HA 1 1 2 671 1 1 17 LEU HB2 H -1.286 -8.595 -1.801 1.00 . A A . 17 LEU HB2 1 1 2 672 1 1 17 LEU HB3 H -0.060 -9.833 -1.638 1.00 . A A . 17 LEU HB3 1 1 2 673 1 1 17 LEU HD11 H -2.216 -8.756 1.753 1.00 . A A . 17 LEU HD11 1 1 2 674 1 1 17 LEU HD12 H -3.346 -8.913 0.408 1.00 . A A . 17 LEU HD12 1 1 2 675 1 1 17 LEU HD13 H -2.064 -7.704 0.346 1.00 . A A . 17 LEU HD13 1 1 2 676 1 1 17 LEU HD21 H -2.211 -11.680 0.236 1.00 . A A . 17 LEU HD21 1 1 2 677 1 1 17 LEU HD22 H -1.740 -11.265 -1.411 1.00 . A A . 17 LEU HD22 1 1 2 678 1 1 17 LEU HD23 H -3.210 -10.581 -0.718 1.00 . A A . 17 LEU HD23 1 1 2 679 1 1 17 LEU HG H -0.717 -10.077 0.775 1.00 . A A . 17 LEU HG 1 1 2 680 1 1 17 LEU N N 1.657 -8.088 -1.482 1.00 . A A . 17 LEU N 1 1 2 681 1 1 17 LEU O O 0.007 -7.634 1.652 1.00 . A A . 17 LEU O 1 1 2 682 1 1 18 GLY C C 3.768 -9.350 2.593 1.00 . A A . 18 GLY C 1 1 2 683 1 1 18 GLY CA C 2.329 -8.878 2.480 1.00 . A A . 18 GLY CA 1 1 2 684 1 1 18 GLY H H 2.466 -9.062 0.377 1.00 . A A . 18 GLY H 1 1 2 685 1 1 18 GLY HA2 H 2.233 -7.931 2.988 1.00 . A A . 18 GLY HA2 1 1 2 686 1 1 18 GLY HA3 H 1.687 -9.600 2.961 1.00 . A A . 18 GLY HA3 1 1 2 687 1 1 18 GLY N N 1.905 -8.716 1.099 1.00 . A A . 18 GLY N 1 1 2 688 1 1 18 GLY O O 4.558 -8.766 3.332 1.00 . A A . 18 GLY O 1 1 3 689 1 1 1 ALA C C -4.976 13.436 2.759 1.00 . A A . 1 ALA C 1 1 3 690 1 1 1 ALA CA C -4.743 14.748 2.024 1.00 . A A . 1 ALA CA 1 1 3 691 1 1 1 ALA CB C -3.986 15.724 2.912 1.00 . A A . 1 ALA CB 1 1 3 692 1 1 1 ALA H1 H -6.659 14.567 1.302 1.00 . A A . 1 ALA H1 1 1 3 693 1 1 1 ALA H2 H -5.831 15.979 0.786 1.00 . A A . 1 ALA H2 1 1 3 694 1 1 1 ALA H3 H -6.427 15.868 2.392 1.00 . A A . 1 ALA H3 1 1 3 695 1 1 1 ALA HA H -4.141 14.555 1.148 1.00 . A A . 1 ALA HA 1 1 3 696 1 1 1 ALA HB1 H -3.262 16.263 2.319 1.00 . A A . 1 ALA HB1 1 1 3 697 1 1 1 ALA HB2 H -3.477 15.180 3.695 1.00 . A A . 1 ALA HB2 1 1 3 698 1 1 1 ALA HB3 H -4.681 16.423 3.354 1.00 . A A . 1 ALA HB3 1 1 3 699 1 1 1 ALA N N -6.031 15.344 1.587 1.00 . A A . 1 ALA N 1 1 3 700 1 1 1 ALA O O -5.262 13.429 3.956 1.00 . A A . 1 ALA O 1 1 3 701 1 1 2 LEU C C -4.674 9.873 1.705 1.00 . A A . 2 LEU C 1 1 3 702 1 1 2 LEU CA C -5.068 11.012 2.640 1.00 . A A . 2 LEU CA 1 1 3 703 1 1 2 LEU CB C -6.530 10.854 3.048 1.00 . A A . 2 LEU CB 1 1 3 704 1 1 2 LEU CD1 C -6.674 10.176 5.449 1.00 . A A . 2 LEU CD1 1 1 3 705 1 1 2 LEU CD2 C -8.171 9.099 3.755 1.00 . A A . 2 LEU CD2 1 1 3 706 1 1 2 LEU CG C -6.797 9.703 4.011 1.00 . A A . 2 LEU CG 1 1 3 707 1 1 2 LEU H H -4.634 12.390 1.087 1.00 . A A . 2 LEU H 1 1 3 708 1 1 2 LEU HA H -4.457 10.958 3.519 1.00 . A A . 2 LEU HA 1 1 3 709 1 1 2 LEU HB2 H -6.858 11.772 3.512 1.00 . A A . 2 LEU HB2 1 1 3 710 1 1 2 LEU HB3 H -7.116 10.691 2.156 1.00 . A A . 2 LEU HB3 1 1 3 711 1 1 2 LEU HD11 H -7.102 9.438 6.108 1.00 . A A . 2 LEU HD11 1 1 3 712 1 1 2 LEU HD12 H -7.202 11.112 5.565 1.00 . A A . 2 LEU HD12 1 1 3 713 1 1 2 LEU HD13 H -5.633 10.317 5.693 1.00 . A A . 2 LEU HD13 1 1 3 714 1 1 2 LEU HD21 H -8.312 8.961 2.693 1.00 . A A . 2 LEU HD21 1 1 3 715 1 1 2 LEU HD22 H -8.934 9.761 4.135 1.00 . A A . 2 LEU HD22 1 1 3 716 1 1 2 LEU HD23 H -8.246 8.143 4.253 1.00 . A A . 2 LEU HD23 1 1 3 717 1 1 2 LEU HG H -6.055 8.934 3.849 1.00 . A A . 2 LEU HG 1 1 3 718 1 1 2 LEU N N -4.859 12.324 2.038 1.00 . A A . 2 LEU N 1 1 3 719 1 1 2 LEU O O -4.273 8.793 2.145 1.00 . A A . 2 LEU O 1 1 3 720 1 1 3 TYR C C -3.064 8.544 -0.336 1.00 . A A . 3 TYR C 1 1 3 721 1 1 3 TYR CA C -4.475 9.060 -0.549 1.00 . A A . 3 TYR CA 1 1 3 722 1 1 3 TYR CB C -4.676 9.555 -1.979 1.00 . A A . 3 TYR CB 1 1 3 723 1 1 3 TYR CD1 C -7.038 10.108 -1.267 1.00 . A A . 3 TYR CD1 1 1 3 724 1 1 3 TYR CD2 C -6.251 10.984 -3.338 1.00 . A A . 3 TYR CD2 1 1 3 725 1 1 3 TYR CE1 C -8.258 10.719 -1.462 1.00 . A A . 3 TYR CE1 1 1 3 726 1 1 3 TYR CE2 C -7.472 11.601 -3.541 1.00 . A A . 3 TYR CE2 1 1 3 727 1 1 3 TYR CG C -6.014 10.228 -2.200 1.00 . A A . 3 TYR CG 1 1 3 728 1 1 3 TYR CZ C -8.472 11.466 -2.598 1.00 . A A . 3 TYR CZ 1 1 3 729 1 1 3 TYR H H -5.145 10.959 0.108 1.00 . A A . 3 TYR H 1 1 3 730 1 1 3 TYR HA H -5.151 8.243 -0.360 1.00 . A A . 3 TYR HA 1 1 3 731 1 1 3 TYR HB2 H -3.901 10.268 -2.222 1.00 . A A . 3 TYR HB2 1 1 3 732 1 1 3 TYR HB3 H -4.610 8.714 -2.656 1.00 . A A . 3 TYR HB3 1 1 3 733 1 1 3 TYR HD1 H -6.871 9.522 -0.376 1.00 . A A . 3 TYR HD1 1 1 3 734 1 1 3 TYR HD2 H -5.466 11.088 -4.072 1.00 . A A . 3 TYR HD2 1 1 3 735 1 1 3 TYR HE1 H -9.037 10.614 -0.723 1.00 . A A . 3 TYR HE1 1 1 3 736 1 1 3 TYR HE2 H -7.639 12.185 -4.432 1.00 . A A . 3 TYR HE2 1 1 3 737 1 1 3 TYR HH H -10.046 12.364 -1.950 1.00 . A A . 3 TYR HH 1 1 3 738 1 1 3 TYR N N -4.806 10.097 0.415 1.00 . A A . 3 TYR N 1 1 3 739 1 1 3 TYR O O -2.746 7.419 -0.721 1.00 . A A . 3 TYR O 1 1 3 740 1 1 3 TYR OH O -9.689 12.079 -2.795 1.00 . A A . 3 TYR OH 1 1 3 741 1 1 4 LYS C C -0.947 7.653 1.465 1.00 . A A . 4 LYS C 1 1 3 742 1 1 4 LYS CA C -0.877 8.906 0.605 1.00 . A A . 4 LYS CA 1 1 3 743 1 1 4 LYS CB C -0.080 10.030 1.286 1.00 . A A . 4 LYS CB 1 1 3 744 1 1 4 LYS CD C -1.450 10.464 3.363 1.00 . A A . 4 LYS CD 1 1 3 745 1 1 4 LYS CE C -1.820 11.858 2.879 1.00 . A A . 4 LYS CE 1 1 3 746 1 1 4 LYS CG C -0.106 10.008 2.812 1.00 . A A . 4 LYS CG 1 1 3 747 1 1 4 LYS H H -2.535 10.216 0.630 1.00 . A A . 4 LYS H 1 1 3 748 1 1 4 LYS HA H -0.416 8.647 -0.326 1.00 . A A . 4 LYS HA 1 1 3 749 1 1 4 LYS HB2 H 0.949 9.962 0.969 1.00 . A A . 4 LYS HB2 1 1 3 750 1 1 4 LYS HB3 H -0.482 10.979 0.958 1.00 . A A . 4 LYS HB3 1 1 3 751 1 1 4 LYS HD2 H -2.211 9.775 3.045 1.00 . A A . 4 LYS HD2 1 1 3 752 1 1 4 LYS HD3 H -1.400 10.472 4.443 1.00 . A A . 4 LYS HD3 1 1 3 753 1 1 4 LYS HE2 H -2.251 11.781 1.891 1.00 . A A . 4 LYS HE2 1 1 3 754 1 1 4 LYS HE3 H -2.550 12.278 3.557 1.00 . A A . 4 LYS HE3 1 1 3 755 1 1 4 LYS HG2 H 0.092 9.004 3.156 1.00 . A A . 4 LYS HG2 1 1 3 756 1 1 4 LYS HG3 H 0.665 10.668 3.181 1.00 . A A . 4 LYS HG3 1 1 3 757 1 1 4 LYS HZ1 H -0.169 12.681 1.896 1.00 . A A . 4 LYS HZ1 1 1 3 758 1 1 4 LYS HZ2 H 0.047 12.499 3.564 1.00 . A A . 4 LYS HZ2 1 1 3 759 1 1 4 LYS HZ3 H -0.928 13.748 2.968 1.00 . A A . 4 LYS HZ3 1 1 3 760 1 1 4 LYS N N -2.229 9.341 0.315 1.00 . A A . 4 LYS N 1 1 3 761 1 1 4 LYS NZ N -0.635 12.760 2.823 1.00 . A A . 4 LYS NZ 1 1 3 762 1 1 4 LYS O O -0.122 6.745 1.368 1.00 . A A . 4 LYS O 1 1 3 763 1 1 5 LYS C C -2.622 5.289 2.219 1.00 . A A . 5 LYS C 1 1 3 764 1 1 5 LYS CA C -2.243 6.459 3.109 1.00 . A A . 5 LYS CA 1 1 3 765 1 1 5 LYS CB C -3.377 6.797 4.075 1.00 . A A . 5 LYS CB 1 1 3 766 1 1 5 LYS CD C -5.645 6.109 4.872 1.00 . A A . 5 LYS CD 1 1 3 767 1 1 5 LYS CE C -5.753 6.139 6.388 1.00 . A A . 5 LYS CE 1 1 3 768 1 1 5 LYS CG C -4.278 5.627 4.410 1.00 . A A . 5 LYS CG 1 1 3 769 1 1 5 LYS H H -2.633 8.334 2.261 1.00 . A A . 5 LYS H 1 1 3 770 1 1 5 LYS HA H -1.349 6.226 3.655 1.00 . A A . 5 LYS HA 1 1 3 771 1 1 5 LYS HB2 H -2.953 7.172 4.994 1.00 . A A . 5 LYS HB2 1 1 3 772 1 1 5 LYS HB3 H -3.986 7.569 3.625 1.00 . A A . 5 LYS HB3 1 1 3 773 1 1 5 LYS HD2 H -5.803 7.107 4.495 1.00 . A A . 5 LYS HD2 1 1 3 774 1 1 5 LYS HD3 H -6.403 5.449 4.477 1.00 . A A . 5 LYS HD3 1 1 3 775 1 1 5 LYS HE2 H -6.798 6.122 6.661 1.00 . A A . 5 LYS HE2 1 1 3 776 1 1 5 LYS HE3 H -5.262 5.266 6.789 1.00 . A A . 5 LYS HE3 1 1 3 777 1 1 5 LYS HG2 H -4.398 5.020 3.525 1.00 . A A . 5 LYS HG2 1 1 3 778 1 1 5 LYS HG3 H -3.821 5.043 5.192 1.00 . A A . 5 LYS HG3 1 1 3 779 1 1 5 LYS HZ1 H -4.459 7.095 7.722 1.00 . A A . 5 LYS HZ1 1 1 3 780 1 1 5 LYS HZ2 H -5.853 7.982 7.368 1.00 . A A . 5 LYS HZ2 1 1 3 781 1 1 5 LYS HZ3 H -4.607 7.882 6.230 1.00 . A A . 5 LYS HZ3 1 1 3 782 1 1 5 LYS N N -1.990 7.599 2.267 1.00 . A A . 5 LYS N 1 1 3 783 1 1 5 LYS NZ N -5.124 7.360 6.968 1.00 . A A . 5 LYS NZ 1 1 3 784 1 1 5 LYS O O -2.226 4.144 2.442 1.00 . A A . 5 LYS O 1 1 3 785 1 1 6 PHE C C -2.670 3.930 -0.405 1.00 . A A . 6 PHE C 1 1 3 786 1 1 6 PHE CA C -3.854 4.603 0.250 1.00 . A A . 6 PHE CA 1 1 3 787 1 1 6 PHE CB C -4.763 5.215 -0.819 1.00 . A A . 6 PHE CB 1 1 3 788 1 1 6 PHE CD1 C -6.215 5.997 1.091 1.00 . A A . 6 PHE CD1 1 1 3 789 1 1 6 PHE CD2 C -6.821 6.617 -1.133 1.00 . A A . 6 PHE CD2 1 1 3 790 1 1 6 PHE CE1 C -7.308 6.683 1.582 1.00 . A A . 6 PHE CE1 1 1 3 791 1 1 6 PHE CE2 C -7.914 7.306 -0.644 1.00 . A A . 6 PHE CE2 1 1 3 792 1 1 6 PHE CG C -5.956 5.955 -0.273 1.00 . A A . 6 PHE CG 1 1 3 793 1 1 6 PHE CZ C -8.157 7.338 0.714 1.00 . A A . 6 PHE CZ 1 1 3 794 1 1 6 PHE H H -3.679 6.542 1.093 1.00 . A A . 6 PHE H 1 1 3 795 1 1 6 PHE HA H -4.397 3.862 0.797 1.00 . A A . 6 PHE HA 1 1 3 796 1 1 6 PHE HB2 H -4.188 5.911 -1.412 1.00 . A A . 6 PHE HB2 1 1 3 797 1 1 6 PHE HB3 H -5.127 4.426 -1.459 1.00 . A A . 6 PHE HB3 1 1 3 798 1 1 6 PHE HD1 H -5.558 5.485 1.773 1.00 . A A . 6 PHE HD1 1 1 3 799 1 1 6 PHE HD2 H -6.633 6.595 -2.195 1.00 . A A . 6 PHE HD2 1 1 3 800 1 1 6 PHE HE1 H -7.496 6.708 2.645 1.00 . A A . 6 PHE HE1 1 1 3 801 1 1 6 PHE HE2 H -8.579 7.817 -1.325 1.00 . A A . 6 PHE HE2 1 1 3 802 1 1 6 PHE HZ H -9.008 7.876 1.097 1.00 . A A . 6 PHE HZ 1 1 3 803 1 1 6 PHE N N -3.401 5.606 1.200 1.00 . A A . 6 PHE N 1 1 3 804 1 1 6 PHE O O -2.661 2.715 -0.598 1.00 . A A . 6 PHE O 1 1 3 805 1 1 7 LYS C C 0.165 3.182 -0.371 1.00 . A A . 7 LYS C 1 1 3 806 1 1 7 LYS CA C -0.462 4.181 -1.327 1.00 . A A . 7 LYS CA 1 1 3 807 1 1 7 LYS CB C 0.523 5.292 -1.707 1.00 . A A . 7 LYS CB 1 1 3 808 1 1 7 LYS CD C 2.768 5.031 -0.611 1.00 . A A . 7 LYS CD 1 1 3 809 1 1 7 LYS CE C 2.929 4.102 0.578 1.00 . A A . 7 LYS CE 1 1 3 810 1 1 7 LYS CG C 1.428 5.743 -0.573 1.00 . A A . 7 LYS CG 1 1 3 811 1 1 7 LYS H H -1.721 5.678 -0.523 1.00 . A A . 7 LYS H 1 1 3 812 1 1 7 LYS HA H -0.760 3.656 -2.219 1.00 . A A . 7 LYS HA 1 1 3 813 1 1 7 LYS HB2 H 1.147 4.933 -2.509 1.00 . A A . 7 LYS HB2 1 1 3 814 1 1 7 LYS HB3 H -0.037 6.146 -2.054 1.00 . A A . 7 LYS HB3 1 1 3 815 1 1 7 LYS HD2 H 2.832 4.452 -1.518 1.00 . A A . 7 LYS HD2 1 1 3 816 1 1 7 LYS HD3 H 3.557 5.767 -0.591 1.00 . A A . 7 LYS HD3 1 1 3 817 1 1 7 LYS HE2 H 2.125 4.292 1.277 1.00 . A A . 7 LYS HE2 1 1 3 818 1 1 7 LYS HE3 H 2.866 3.082 0.231 1.00 . A A . 7 LYS HE3 1 1 3 819 1 1 7 LYS HG2 H 1.595 6.806 -0.657 1.00 . A A . 7 LYS HG2 1 1 3 820 1 1 7 LYS HG3 H 0.944 5.524 0.364 1.00 . A A . 7 LYS HG3 1 1 3 821 1 1 7 LYS HZ1 H 4.099 4.273 2.301 1.00 . A A . 7 LYS HZ1 1 1 3 822 1 1 7 LYS HZ2 H 4.634 5.230 1.014 1.00 . A A . 7 LYS HZ2 1 1 3 823 1 1 7 LYS HZ3 H 4.906 3.562 0.994 1.00 . A A . 7 LYS HZ3 1 1 3 824 1 1 7 LYS N N -1.660 4.723 -0.721 1.00 . A A . 7 LYS N 1 1 3 825 1 1 7 LYS NZ N 4.233 4.305 1.270 1.00 . A A . 7 LYS NZ 1 1 3 826 1 1 7 LYS O O 0.736 2.184 -0.790 1.00 . A A . 7 LYS O 1 1 3 827 1 1 8 LYS C C -0.003 1.134 1.684 1.00 . A A . 8 LYS C 1 1 3 828 1 1 8 LYS CA C 0.540 2.535 1.943 1.00 . A A . 8 LYS CA 1 1 3 829 1 1 8 LYS CB C 0.179 3.053 3.354 1.00 . A A . 8 LYS CB 1 1 3 830 1 1 8 LYS CD C -1.898 2.707 4.752 1.00 . A A . 8 LYS CD 1 1 3 831 1 1 8 LYS CE C -2.252 2.224 6.152 1.00 . A A . 8 LYS CE 1 1 3 832 1 1 8 LYS CG C -0.606 2.084 4.244 1.00 . A A . 8 LYS CG 1 1 3 833 1 1 8 LYS H H -0.465 4.255 1.201 1.00 . A A . 8 LYS H 1 1 3 834 1 1 8 LYS HA H 1.604 2.503 1.843 1.00 . A A . 8 LYS HA 1 1 3 835 1 1 8 LYS HB2 H 1.093 3.305 3.869 1.00 . A A . 8 LYS HB2 1 1 3 836 1 1 8 LYS HB3 H -0.406 3.952 3.243 1.00 . A A . 8 LYS HB3 1 1 3 837 1 1 8 LYS HD2 H -1.786 3.778 4.773 1.00 . A A . 8 LYS HD2 1 1 3 838 1 1 8 LYS HD3 H -2.699 2.442 4.077 1.00 . A A . 8 LYS HD3 1 1 3 839 1 1 8 LYS HE2 H -1.811 1.250 6.308 1.00 . A A . 8 LYS HE2 1 1 3 840 1 1 8 LYS HE3 H -1.852 2.920 6.873 1.00 . A A . 8 LYS HE3 1 1 3 841 1 1 8 LYS HG2 H -0.849 1.201 3.684 1.00 . A A . 8 LYS HG2 1 1 3 842 1 1 8 LYS HG3 H 0.008 1.815 5.088 1.00 . A A . 8 LYS HG3 1 1 3 843 1 1 8 LYS HZ1 H -4.054 1.165 6.108 1.00 . A A . 8 LYS HZ1 1 1 3 844 1 1 8 LYS HZ2 H -4.212 2.802 5.718 1.00 . A A . 8 LYS HZ2 1 1 3 845 1 1 8 LYS HZ3 H -3.978 2.334 7.328 1.00 . A A . 8 LYS HZ3 1 1 3 846 1 1 8 LYS N N 0.020 3.444 0.927 1.00 . A A . 8 LYS N 1 1 3 847 1 1 8 LYS NZ N -3.726 2.124 6.341 1.00 . A A . 8 LYS NZ 1 1 3 848 1 1 8 LYS O O 0.748 0.162 1.550 1.00 . A A . 8 LYS O 1 1 3 849 1 1 9 LYS C C -1.807 -0.578 -0.155 1.00 . A A . 9 LYS C 1 1 3 850 1 1 9 LYS CA C -1.985 -0.210 1.308 1.00 . A A . 9 LYS CA 1 1 3 851 1 1 9 LYS CB C -3.479 -0.124 1.702 1.00 . A A . 9 LYS CB 1 1 3 852 1 1 9 LYS CD C -5.305 -1.660 0.845 1.00 . A A . 9 LYS CD 1 1 3 853 1 1 9 LYS CE C -4.425 -2.889 0.998 1.00 . A A . 9 LYS CE 1 1 3 854 1 1 9 LYS CG C -4.487 -0.400 0.579 1.00 . A A . 9 LYS CG 1 1 3 855 1 1 9 LYS H H -1.845 1.870 1.677 1.00 . A A . 9 LYS H 1 1 3 856 1 1 9 LYS HA H -1.505 -0.969 1.906 1.00 . A A . 9 LYS HA 1 1 3 857 1 1 9 LYS HB2 H -3.662 -0.835 2.492 1.00 . A A . 9 LYS HB2 1 1 3 858 1 1 9 LYS HB3 H -3.672 0.868 2.085 1.00 . A A . 9 LYS HB3 1 1 3 859 1 1 9 LYS HD2 H -5.872 -1.523 1.752 1.00 . A A . 9 LYS HD2 1 1 3 860 1 1 9 LYS HD3 H -5.981 -1.816 0.017 1.00 . A A . 9 LYS HD3 1 1 3 861 1 1 9 LYS HE2 H -4.969 -3.753 0.646 1.00 . A A . 9 LYS HE2 1 1 3 862 1 1 9 LYS HE3 H -3.538 -2.757 0.398 1.00 . A A . 9 LYS HE3 1 1 3 863 1 1 9 LYS HG2 H -5.164 0.437 0.510 1.00 . A A . 9 LYS HG2 1 1 3 864 1 1 9 LYS HG3 H -3.964 -0.513 -0.357 1.00 . A A . 9 LYS HG3 1 1 3 865 1 1 9 LYS HZ1 H -4.023 -4.134 2.626 1.00 . A A . 9 LYS HZ1 1 1 3 866 1 1 9 LYS HZ2 H -4.695 -2.644 3.055 1.00 . A A . 9 LYS HZ2 1 1 3 867 1 1 9 LYS HZ3 H -3.071 -2.736 2.584 1.00 . A A . 9 LYS HZ3 1 1 3 868 1 1 9 LYS N N -1.317 1.054 1.582 1.00 . A A . 9 LYS N 1 1 3 869 1 1 9 LYS NZ N -4.025 -3.117 2.415 1.00 . A A . 9 LYS NZ 1 1 3 870 1 1 9 LYS O O -1.868 -1.749 -0.527 1.00 . A A . 9 LYS O 1 1 3 871 1 1 10 LEU C C 0.064 -0.172 -2.691 1.00 . A A . 10 LEU C 1 1 3 872 1 1 10 LEU CA C -1.375 0.193 -2.396 1.00 . A A . 10 LEU CA 1 1 3 873 1 1 10 LEU CB C -1.782 1.412 -3.211 1.00 . A A . 10 LEU CB 1 1 3 874 1 1 10 LEU CD1 C -3.559 1.099 -4.939 1.00 . A A . 10 LEU CD1 1 1 3 875 1 1 10 LEU CD2 C -1.348 2.099 -5.577 1.00 . A A . 10 LEU CD2 1 1 3 876 1 1 10 LEU CG C -2.062 1.104 -4.674 1.00 . A A . 10 LEU CG 1 1 3 877 1 1 10 LEU H H -1.518 1.343 -0.635 1.00 . A A . 10 LEU H 1 1 3 878 1 1 10 LEU HA H -1.994 -0.642 -2.678 1.00 . A A . 10 LEU HA 1 1 3 879 1 1 10 LEU HB2 H -2.670 1.840 -2.768 1.00 . A A . 10 LEU HB2 1 1 3 880 1 1 10 LEU HB3 H -0.985 2.138 -3.163 1.00 . A A . 10 LEU HB3 1 1 3 881 1 1 10 LEU HD11 H -4.045 1.801 -4.278 1.00 . A A . 10 LEU HD11 1 1 3 882 1 1 10 LEU HD12 H -3.949 0.108 -4.763 1.00 . A A . 10 LEU HD12 1 1 3 883 1 1 10 LEU HD13 H -3.745 1.382 -5.964 1.00 . A A . 10 LEU HD13 1 1 3 884 1 1 10 LEU HD21 H -1.996 2.942 -5.770 1.00 . A A . 10 LEU HD21 1 1 3 885 1 1 10 LEU HD22 H -1.093 1.619 -6.509 1.00 . A A . 10 LEU HD22 1 1 3 886 1 1 10 LEU HD23 H -0.447 2.439 -5.091 1.00 . A A . 10 LEU HD23 1 1 3 887 1 1 10 LEU HG H -1.676 0.117 -4.892 1.00 . A A . 10 LEU HG 1 1 3 888 1 1 10 LEU N N -1.571 0.428 -0.983 1.00 . A A . 10 LEU N 1 1 3 889 1 1 10 LEU O O 0.390 -0.535 -3.808 1.00 . A A . 10 LEU O 1 1 3 890 1 1 11 LEU C C 2.518 -1.907 -1.520 1.00 . A A . 11 LEU C 1 1 3 891 1 1 11 LEU CA C 2.318 -0.439 -1.840 1.00 . A A . 11 LEU CA 1 1 3 892 1 1 11 LEU CB C 3.223 0.445 -0.964 1.00 . A A . 11 LEU CB 1 1 3 893 1 1 11 LEU CD1 C 4.689 -1.138 0.334 1.00 . A A . 11 LEU CD1 1 1 3 894 1 1 11 LEU CD2 C 3.961 1.024 1.361 1.00 . A A . 11 LEU CD2 1 1 3 895 1 1 11 LEU CG C 3.568 -0.109 0.426 1.00 . A A . 11 LEU CG 1 1 3 896 1 1 11 LEU H H 0.586 0.194 -0.808 1.00 . A A . 11 LEU H 1 1 3 897 1 1 11 LEU HA H 2.568 -0.289 -2.873 1.00 . A A . 11 LEU HA 1 1 3 898 1 1 11 LEU HB2 H 4.149 0.604 -1.498 1.00 . A A . 11 LEU HB2 1 1 3 899 1 1 11 LEU HB3 H 2.739 1.400 -0.834 1.00 . A A . 11 LEU HB3 1 1 3 900 1 1 11 LEU HD11 H 4.869 -1.382 -0.701 1.00 . A A . 11 LEU HD11 1 1 3 901 1 1 11 LEU HD12 H 4.403 -2.030 0.865 1.00 . A A . 11 LEU HD12 1 1 3 902 1 1 11 LEU HD13 H 5.589 -0.735 0.770 1.00 . A A . 11 LEU HD13 1 1 3 903 1 1 11 LEU HD21 H 3.108 1.315 1.952 1.00 . A A . 11 LEU HD21 1 1 3 904 1 1 11 LEU HD22 H 4.299 1.865 0.780 1.00 . A A . 11 LEU HD22 1 1 3 905 1 1 11 LEU HD23 H 4.756 0.696 2.015 1.00 . A A . 11 LEU HD23 1 1 3 906 1 1 11 LEU HG H 2.699 -0.596 0.840 1.00 . A A . 11 LEU HG 1 1 3 907 1 1 11 LEU N N 0.915 -0.091 -1.681 1.00 . A A . 11 LEU N 1 1 3 908 1 1 11 LEU O O 3.227 -2.622 -2.228 1.00 . A A . 11 LEU O 1 1 3 909 1 1 12 LYS C C 1.365 -4.612 -1.147 1.00 . A A . 12 LYS C 1 1 3 910 1 1 12 LYS CA C 1.955 -3.743 -0.044 1.00 . A A . 12 LYS CA 1 1 3 911 1 1 12 LYS CB C 1.246 -3.932 1.318 1.00 . A A . 12 LYS CB 1 1 3 912 1 1 12 LYS CD C -1.251 -4.289 1.179 1.00 . A A . 12 LYS CD 1 1 3 913 1 1 12 LYS CE C -2.140 -5.055 0.204 1.00 . A A . 12 LYS CE 1 1 3 914 1 1 12 LYS CG C 0.110 -4.954 1.358 1.00 . A A . 12 LYS CG 1 1 3 915 1 1 12 LYS H H 1.307 -1.725 0.058 1.00 . A A . 12 LYS H 1 1 3 916 1 1 12 LYS HA H 3.000 -3.986 0.060 1.00 . A A . 12 LYS HA 1 1 3 917 1 1 12 LYS HB2 H 1.985 -4.236 2.042 1.00 . A A . 12 LYS HB2 1 1 3 918 1 1 12 LYS HB3 H 0.845 -2.975 1.623 1.00 . A A . 12 LYS HB3 1 1 3 919 1 1 12 LYS HD2 H -1.744 -4.238 2.137 1.00 . A A . 12 LYS HD2 1 1 3 920 1 1 12 LYS HD3 H -1.098 -3.289 0.799 1.00 . A A . 12 LYS HD3 1 1 3 921 1 1 12 LYS HE2 H -2.663 -4.342 -0.412 1.00 . A A . 12 LYS HE2 1 1 3 922 1 1 12 LYS HE3 H -1.515 -5.676 -0.422 1.00 . A A . 12 LYS HE3 1 1 3 923 1 1 12 LYS HG2 H 0.254 -5.681 0.580 1.00 . A A . 12 LYS HG2 1 1 3 924 1 1 12 LYS HG3 H 0.129 -5.447 2.319 1.00 . A A . 12 LYS HG3 1 1 3 925 1 1 12 LYS HZ1 H -4.042 -5.398 1.014 1.00 . A A . 12 LYS HZ1 1 1 3 926 1 1 12 LYS HZ2 H -2.800 -6.214 1.819 1.00 . A A . 12 LYS HZ2 1 1 3 927 1 1 12 LYS HZ3 H -3.340 -6.768 0.316 1.00 . A A . 12 LYS HZ3 1 1 3 928 1 1 12 LYS N N 1.870 -2.350 -0.455 1.00 . A A . 12 LYS N 1 1 3 929 1 1 12 LYS NZ N -3.150 -5.919 0.887 1.00 . A A . 12 LYS NZ 1 1 3 930 1 1 12 LYS O O 2.034 -5.519 -1.681 1.00 . A A . 12 LYS O 1 1 3 931 1 1 13 SER C C 0.164 -4.772 -3.891 1.00 . A A . 13 SER C 1 1 3 932 1 1 13 SER CA C -0.571 -4.978 -2.587 1.00 . A A . 13 SER CA 1 1 3 933 1 1 13 SER CB C -2.001 -4.456 -2.742 1.00 . A A . 13 SER CB 1 1 3 934 1 1 13 SER H H -0.314 -3.525 -1.072 1.00 . A A . 13 SER H 1 1 3 935 1 1 13 SER HA H -0.593 -6.030 -2.353 1.00 . A A . 13 SER HA 1 1 3 936 1 1 13 SER HB2 H -2.168 -3.654 -2.041 1.00 . A A . 13 SER HB2 1 1 3 937 1 1 13 SER HB3 H -2.131 -4.081 -3.750 1.00 . A A . 13 SER HB3 1 1 3 938 1 1 13 SER HG H -3.769 -5.261 -2.972 1.00 . A A . 13 SER HG 1 1 3 939 1 1 13 SER N N 0.127 -4.282 -1.515 1.00 . A A . 13 SER N 1 1 3 940 1 1 13 SER O O 0.427 -5.724 -4.625 1.00 . A A . 13 SER O 1 1 3 941 1 1 13 SER OG O -2.953 -5.477 -2.511 1.00 . A A . 13 SER OG 1 1 3 942 1 1 14 LEU C C 2.142 -4.282 -5.805 1.00 . A A . 14 LEU C 1 1 3 943 1 1 14 LEU CA C 1.204 -3.159 -5.388 1.00 . A A . 14 LEU CA 1 1 3 944 1 1 14 LEU CB C 1.987 -1.863 -5.159 1.00 . A A . 14 LEU CB 1 1 3 945 1 1 14 LEU CD1 C 3.448 -0.413 -6.599 1.00 . A A . 14 LEU CD1 1 1 3 946 1 1 14 LEU CD2 C 4.478 -1.891 -4.866 1.00 . A A . 14 LEU CD2 1 1 3 947 1 1 14 LEU CG C 3.341 -1.742 -5.866 1.00 . A A . 14 LEU CG 1 1 3 948 1 1 14 LEU H H 0.252 -2.796 -3.536 1.00 . A A . 14 LEU H 1 1 3 949 1 1 14 LEU HA H 0.476 -3.001 -6.167 1.00 . A A . 14 LEU HA 1 1 3 950 1 1 14 LEU HB2 H 1.368 -1.042 -5.485 1.00 . A A . 14 LEU HB2 1 1 3 951 1 1 14 LEU HB3 H 2.152 -1.766 -4.096 1.00 . A A . 14 LEU HB3 1 1 3 952 1 1 14 LEU HD11 H 2.813 0.316 -6.119 1.00 . A A . 14 LEU HD11 1 1 3 953 1 1 14 LEU HD12 H 3.138 -0.541 -7.625 1.00 . A A . 14 LEU HD12 1 1 3 954 1 1 14 LEU HD13 H 4.472 -0.071 -6.574 1.00 . A A . 14 LEU HD13 1 1 3 955 1 1 14 LEU HD21 H 4.245 -1.335 -3.971 1.00 . A A . 14 LEU HD21 1 1 3 956 1 1 14 LEU HD22 H 5.390 -1.512 -5.301 1.00 . A A . 14 LEU HD22 1 1 3 957 1 1 14 LEU HD23 H 4.604 -2.932 -4.618 1.00 . A A . 14 LEU HD23 1 1 3 958 1 1 14 LEU HG H 3.431 -2.531 -6.594 1.00 . A A . 14 LEU HG 1 1 3 959 1 1 14 LEU N N 0.493 -3.511 -4.171 1.00 . A A . 14 LEU N 1 1 3 960 1 1 14 LEU O O 2.036 -4.820 -6.907 1.00 . A A . 14 LEU O 1 1 3 961 1 1 15 LYS C C 3.544 -7.050 -4.759 1.00 . A A . 15 LYS C 1 1 3 962 1 1 15 LYS CA C 4.019 -5.671 -5.209 1.00 . A A . 15 LYS CA 1 1 3 963 1 1 15 LYS CB C 5.371 -5.366 -4.565 1.00 . A A . 15 LYS CB 1 1 3 964 1 1 15 LYS CD C 7.505 -5.900 -5.781 1.00 . A A . 15 LYS CD 1 1 3 965 1 1 15 LYS CE C 7.944 -6.952 -6.787 1.00 . A A . 15 LYS CE 1 1 3 966 1 1 15 LYS CG C 6.424 -6.426 -4.852 1.00 . A A . 15 LYS CG 1 1 3 967 1 1 15 LYS H H 3.104 -4.156 -4.055 1.00 . A A . 15 LYS H 1 1 3 968 1 1 15 LYS HA H 4.152 -5.692 -6.279 1.00 . A A . 15 LYS HA 1 1 3 969 1 1 15 LYS HB2 H 5.731 -4.418 -4.939 1.00 . A A . 15 LYS HB2 1 1 3 970 1 1 15 LYS HB3 H 5.241 -5.295 -3.495 1.00 . A A . 15 LYS HB3 1 1 3 971 1 1 15 LYS HD2 H 7.117 -5.047 -6.318 1.00 . A A . 15 LYS HD2 1 1 3 972 1 1 15 LYS HD3 H 8.357 -5.600 -5.190 1.00 . A A . 15 LYS HD3 1 1 3 973 1 1 15 LYS HE2 H 7.152 -7.094 -7.508 1.00 . A A . 15 LYS HE2 1 1 3 974 1 1 15 LYS HE3 H 8.831 -6.600 -7.293 1.00 . A A . 15 LYS HE3 1 1 3 975 1 1 15 LYS HG2 H 6.878 -6.735 -3.922 1.00 . A A . 15 LYS HG2 1 1 3 976 1 1 15 LYS HG3 H 5.944 -7.277 -5.320 1.00 . A A . 15 LYS HG3 1 1 3 977 1 1 15 LYS HZ1 H 8.300 -9.010 -6.853 1.00 . A A . 15 LYS HZ1 1 1 3 978 1 1 15 LYS HZ2 H 7.496 -8.499 -5.456 1.00 . A A . 15 LYS HZ2 1 1 3 979 1 1 15 LYS HZ3 H 9.150 -8.204 -5.631 1.00 . A A . 15 LYS HZ3 1 1 3 980 1 1 15 LYS N N 3.064 -4.623 -4.916 1.00 . A A . 15 LYS N 1 1 3 981 1 1 15 LYS NZ N 8.244 -8.257 -6.136 1.00 . A A . 15 LYS NZ 1 1 3 982 1 1 15 LYS O O 3.069 -7.844 -5.568 1.00 . A A . 15 LYS O 1 1 3 983 1 1 16 ARG C C 1.928 -8.648 -2.348 1.00 . A A . 16 ARG C 1 1 3 984 1 1 16 ARG CA C 3.333 -8.642 -2.939 1.00 . A A . 16 ARG CA 1 1 3 985 1 1 16 ARG CB C 4.378 -9.113 -1.919 1.00 . A A . 16 ARG CB 1 1 3 986 1 1 16 ARG CD C 3.646 -11.504 -2.052 1.00 . A A . 16 ARG CD 1 1 3 987 1 1 16 ARG CG C 4.823 -10.550 -2.125 1.00 . A A . 16 ARG CG 1 1 3 988 1 1 16 ARG CZ C 4.035 -13.002 -0.132 1.00 . A A . 16 ARG CZ 1 1 3 989 1 1 16 ARG H H 4.097 -6.670 -2.862 1.00 . A A . 16 ARG H 1 1 3 990 1 1 16 ARG HA H 3.339 -9.329 -3.767 1.00 . A A . 16 ARG HA 1 1 3 991 1 1 16 ARG HB2 H 5.251 -8.481 -1.998 1.00 . A A . 16 ARG HB2 1 1 3 992 1 1 16 ARG HB3 H 3.970 -9.026 -0.925 1.00 . A A . 16 ARG HB3 1 1 3 993 1 1 16 ARG HD2 H 2.765 -10.994 -2.413 1.00 . A A . 16 ARG HD2 1 1 3 994 1 1 16 ARG HD3 H 3.853 -12.357 -2.679 1.00 . A A . 16 ARG HD3 1 1 3 995 1 1 16 ARG HE H 2.767 -11.447 -0.142 1.00 . A A . 16 ARG HE 1 1 3 996 1 1 16 ARG HG2 H 5.287 -10.639 -3.097 1.00 . A A . 16 ARG HG2 1 1 3 997 1 1 16 ARG HG3 H 5.537 -10.811 -1.355 1.00 . A A . 16 ARG HG3 1 1 3 998 1 1 16 ARG HH11 H 5.034 -13.530 -1.817 1.00 . A A . 16 ARG HH11 1 1 3 999 1 1 16 ARG HH12 H 5.332 -14.529 -0.434 1.00 . A A . 16 ARG HH12 1 1 3 1000 1 1 16 ARG HH21 H 3.190 -12.760 1.689 1.00 . A A . 16 ARG HH21 1 1 3 1001 1 1 16 ARG HH22 H 4.290 -14.090 1.552 1.00 . A A . 16 ARG HH22 1 1 3 1002 1 1 16 ARG N N 3.711 -7.343 -3.471 1.00 . A A . 16 ARG N 1 1 3 1003 1 1 16 ARG NE N 3.409 -11.959 -0.685 1.00 . A A . 16 ARG NE 1 1 3 1004 1 1 16 ARG NH1 N 4.869 -13.747 -0.854 1.00 . A A . 16 ARG NH1 1 1 3 1005 1 1 16 ARG NH2 N 3.820 -13.309 1.140 1.00 . A A . 16 ARG NH2 1 1 3 1006 1 1 16 ARG O O 0.972 -9.095 -2.982 1.00 . A A . 16 ARG O 1 1 3 1007 1 1 17 LEU C C 0.947 -8.090 1.155 1.00 . A A . 17 LEU C 1 1 3 1008 1 1 17 LEU CA C 0.606 -8.075 -0.339 1.00 . A A . 17 LEU CA 1 1 3 1009 1 1 17 LEU CB C -0.360 -9.226 -0.686 1.00 . A A . 17 LEU CB 1 1 3 1010 1 1 17 LEU CD1 C -2.042 -8.986 1.183 1.00 . A A . 17 LEU CD1 1 1 3 1011 1 1 17 LEU CD2 C -1.747 -11.191 0.042 1.00 . A A . 17 LEU CD2 1 1 3 1012 1 1 17 LEU CG C -1.050 -9.921 0.504 1.00 . A A . 17 LEU CG 1 1 3 1013 1 1 17 LEU H H 2.666 -7.824 -0.704 1.00 . A A . 17 LEU H 1 1 3 1014 1 1 17 LEU HA H 0.134 -7.140 -0.575 1.00 . A A . 17 LEU HA 1 1 3 1015 1 1 17 LEU HB2 H -1.128 -8.829 -1.334 1.00 . A A . 17 LEU HB2 1 1 3 1016 1 1 17 LEU HB3 H 0.191 -9.974 -1.233 1.00 . A A . 17 LEU HB3 1 1 3 1017 1 1 17 LEU HD11 H -1.776 -8.873 2.225 1.00 . A A . 17 LEU HD11 1 1 3 1018 1 1 17 LEU HD12 H -3.038 -9.399 1.111 1.00 . A A . 17 LEU HD12 1 1 3 1019 1 1 17 LEU HD13 H -2.017 -8.022 0.700 1.00 . A A . 17 LEU HD13 1 1 3 1020 1 1 17 LEU HD21 H -1.147 -11.672 -0.716 1.00 . A A . 17 LEU HD21 1 1 3 1021 1 1 17 LEU HD22 H -2.714 -10.941 -0.368 1.00 . A A . 17 LEU HD22 1 1 3 1022 1 1 17 LEU HD23 H -1.872 -11.858 0.881 1.00 . A A . 17 LEU HD23 1 1 3 1023 1 1 17 LEU HG H -0.303 -10.196 1.232 1.00 . A A . 17 LEU HG 1 1 3 1024 1 1 17 LEU N N 1.845 -8.152 -1.116 1.00 . A A . 17 LEU N 1 1 3 1025 1 1 17 LEU O O 0.151 -7.670 1.993 1.00 . A A . 17 LEU O 1 1 3 1026 1 1 18 GLY C C 4.099 -8.856 2.942 1.00 . A A . 18 GLY C 1 1 3 1027 1 1 18 GLY CA C 2.599 -8.646 2.846 1.00 . A A . 18 GLY CA 1 1 3 1028 1 1 18 GLY H H 2.736 -8.898 0.754 1.00 . A A . 18 GLY H 1 1 3 1029 1 1 18 GLY HA2 H 2.340 -7.723 3.347 1.00 . A A . 18 GLY HA2 1 1 3 1030 1 1 18 GLY HA3 H 2.100 -9.465 3.338 1.00 . A A . 18 GLY HA3 1 1 3 1031 1 1 18 GLY N N 2.149 -8.578 1.469 1.00 . A A . 18 GLY N 1 1 3 1032 1 1 18 GLY O O 4.783 -8.134 3.664 1.00 . A A . 18 GLY O 1 1 4 1033 1 1 1 ALA C C -5.168 13.400 2.244 1.00 . A A . 1 ALA C 1 1 4 1034 1 1 1 ALA CA C -4.902 14.633 1.385 1.00 . A A . 1 ALA CA 1 1 4 1035 1 1 1 ALA CB C -4.126 15.674 2.177 1.00 . A A . 1 ALA CB 1 1 4 1036 1 1 1 ALA H1 H -6.576 15.799 1.637 1.00 . A A . 1 ALA H1 1 1 4 1037 1 1 1 ALA H2 H -6.805 14.428 0.631 1.00 . A A . 1 ALA H2 1 1 4 1038 1 1 1 ALA H3 H -5.944 15.792 0.044 1.00 . A A . 1 ALA H3 1 1 4 1039 1 1 1 ALA HA H -4.300 14.342 0.535 1.00 . A A . 1 ALA HA 1 1 4 1040 1 1 1 ALA HB1 H -4.487 16.660 1.926 1.00 . A A . 1 ALA HB1 1 1 4 1041 1 1 1 ALA HB2 H -3.075 15.604 1.933 1.00 . A A . 1 ALA HB2 1 1 4 1042 1 1 1 ALA HB3 H -4.263 15.499 3.234 1.00 . A A . 1 ALA HB3 1 1 4 1043 1 1 1 ALA N N -6.172 15.216 0.878 1.00 . A A . 1 ALA N 1 1 4 1044 1 1 1 ALA O O -5.502 13.510 3.423 1.00 . A A . 1 ALA O 1 1 4 1045 1 1 2 LEU C C -4.845 9.783 1.457 1.00 . A A . 2 LEU C 1 1 4 1046 1 1 2 LEU CA C -5.236 10.965 2.338 1.00 . A A . 2 LEU CA 1 1 4 1047 1 1 2 LEU CB C -6.698 10.840 2.763 1.00 . A A . 2 LEU CB 1 1 4 1048 1 1 2 LEU CD1 C -6.811 10.013 5.126 1.00 . A A . 2 LEU CD1 1 1 4 1049 1 1 2 LEU CD2 C -8.434 9.157 3.428 1.00 . A A . 2 LEU CD2 1 1 4 1050 1 1 2 LEU CG C -7.011 9.644 3.663 1.00 . A A . 2 LEU CG 1 1 4 1051 1 1 2 LEU H H -4.744 12.211 0.697 1.00 . A A . 2 LEU H 1 1 4 1052 1 1 2 LEU HA H -4.613 10.960 3.212 1.00 . A A . 2 LEU HA 1 1 4 1053 1 1 2 LEU HB2 H -6.976 11.742 3.289 1.00 . A A . 2 LEU HB2 1 1 4 1054 1 1 2 LEU HB3 H -7.304 10.760 1.873 1.00 . A A . 2 LEU HB3 1 1 4 1055 1 1 2 LEU HD11 H -7.123 9.189 5.752 1.00 . A A . 2 LEU HD11 1 1 4 1056 1 1 2 LEU HD12 H -7.401 10.886 5.360 1.00 . A A . 2 LEU HD12 1 1 4 1057 1 1 2 LEU HD13 H -5.768 10.225 5.305 1.00 . A A . 2 LEU HD13 1 1 4 1058 1 1 2 LEU HD21 H -9.100 9.644 4.125 1.00 . A A . 2 LEU HD21 1 1 4 1059 1 1 2 LEU HD22 H -8.478 8.088 3.574 1.00 . A A . 2 LEU HD22 1 1 4 1060 1 1 2 LEU HD23 H -8.733 9.395 2.418 1.00 . A A . 2 LEU HD23 1 1 4 1061 1 1 2 LEU HG H -6.333 8.835 3.424 1.00 . A A . 2 LEU HG 1 1 4 1062 1 1 2 LEU N N -5.015 12.227 1.638 1.00 . A A . 2 LEU N 1 1 4 1063 1 1 2 LEU O O -4.365 8.758 1.939 1.00 . A A . 2 LEU O 1 1 4 1064 1 1 3 TYR C C -3.298 8.384 -0.563 1.00 . A A . 3 TYR C 1 1 4 1065 1 1 3 TYR CA C -4.713 8.878 -0.786 1.00 . A A . 3 TYR CA 1 1 4 1066 1 1 3 TYR CB C -4.886 9.380 -2.218 1.00 . A A . 3 TYR CB 1 1 4 1067 1 1 3 TYR CD1 C -7.286 9.795 -1.594 1.00 . A A . 3 TYR CD1 1 1 4 1068 1 1 3 TYR CD2 C -6.425 10.899 -3.520 1.00 . A A . 3 TYR CD2 1 1 4 1069 1 1 3 TYR CE1 C -8.510 10.387 -1.789 1.00 . A A . 3 TYR CE1 1 1 4 1070 1 1 3 TYR CE2 C -7.652 11.500 -3.725 1.00 . A A . 3 TYR CE2 1 1 4 1071 1 1 3 TYR CG C -6.223 10.038 -2.452 1.00 . A A . 3 TYR CG 1 1 4 1072 1 1 3 TYR CZ C -8.694 11.240 -2.858 1.00 . A A . 3 TYR CZ 1 1 4 1073 1 1 3 TYR H H -5.435 10.767 -0.162 1.00 . A A . 3 TYR H 1 1 4 1074 1 1 3 TYR HA H -5.388 8.061 -0.608 1.00 . A A . 3 TYR HA 1 1 4 1075 1 1 3 TYR HB2 H -4.114 10.105 -2.435 1.00 . A A . 3 TYR HB2 1 1 4 1076 1 1 3 TYR HB3 H -4.796 8.547 -2.899 1.00 . A A . 3 TYR HB3 1 1 4 1077 1 1 3 TYR HD1 H -7.142 9.130 -0.757 1.00 . A A . 3 TYR HD1 1 1 4 1078 1 1 3 TYR HD2 H -5.608 11.099 -4.198 1.00 . A A . 3 TYR HD2 1 1 4 1079 1 1 3 TYR HE1 H -9.317 10.176 -1.106 1.00 . A A . 3 TYR HE1 1 1 4 1080 1 1 3 TYR HE2 H -7.790 12.167 -4.560 1.00 . A A . 3 TYR HE2 1 1 4 1081 1 1 3 TYR HH H -10.617 11.207 -2.864 1.00 . A A . 3 TYR HH 1 1 4 1082 1 1 3 TYR N N -5.050 9.932 0.163 1.00 . A A . 3 TYR N 1 1 4 1083 1 1 3 TYR O O -2.987 7.220 -0.812 1.00 . A A . 3 TYR O 1 1 4 1084 1 1 3 TYR OH O -9.918 11.837 -3.059 1.00 . A A . 3 TYR OH 1 1 4 1085 1 1 4 LYS C C -1.092 7.715 1.176 1.00 . A A . 4 LYS C 1 1 4 1086 1 1 4 LYS CA C -1.080 8.899 0.238 1.00 . A A . 4 LYS CA 1 1 4 1087 1 1 4 LYS CB C -0.330 10.092 0.831 1.00 . A A . 4 LYS CB 1 1 4 1088 1 1 4 LYS CD C -1.905 11.576 2.116 1.00 . A A . 4 LYS CD 1 1 4 1089 1 1 4 LYS CE C -2.194 12.200 3.470 1.00 . A A . 4 LYS CE 1 1 4 1090 1 1 4 LYS CG C -0.820 10.513 2.210 1.00 . A A . 4 LYS CG 1 1 4 1091 1 1 4 LYS H H -2.767 10.166 0.146 1.00 . A A . 4 LYS H 1 1 4 1092 1 1 4 LYS HA H -0.616 8.592 -0.674 1.00 . A A . 4 LYS HA 1 1 4 1093 1 1 4 LYS HB2 H 0.718 9.845 0.904 1.00 . A A . 4 LYS HB2 1 1 4 1094 1 1 4 LYS HB3 H -0.448 10.934 0.162 1.00 . A A . 4 LYS HB3 1 1 4 1095 1 1 4 LYS HD2 H -1.582 12.348 1.435 1.00 . A A . 4 LYS HD2 1 1 4 1096 1 1 4 LYS HD3 H -2.809 11.120 1.741 1.00 . A A . 4 LYS HD3 1 1 4 1097 1 1 4 LYS HE2 H -3.260 12.343 3.565 1.00 . A A . 4 LYS HE2 1 1 4 1098 1 1 4 LYS HE3 H -1.852 11.528 4.243 1.00 . A A . 4 LYS HE3 1 1 4 1099 1 1 4 LYS HG2 H -1.218 9.653 2.722 1.00 . A A . 4 LYS HG2 1 1 4 1100 1 1 4 LYS HG3 H 0.012 10.913 2.769 1.00 . A A . 4 LYS HG3 1 1 4 1101 1 1 4 LYS HZ1 H -1.640 14.091 2.775 1.00 . A A . 4 LYS HZ1 1 1 4 1102 1 1 4 LYS HZ2 H -0.497 13.373 3.792 1.00 . A A . 4 LYS HZ2 1 1 4 1103 1 1 4 LYS HZ3 H -1.915 14.027 4.444 1.00 . A A . 4 LYS HZ3 1 1 4 1104 1 1 4 LYS N N -2.451 9.265 -0.058 1.00 . A A . 4 LYS N 1 1 4 1105 1 1 4 LYS NZ N -1.514 13.514 3.632 1.00 . A A . 4 LYS NZ 1 1 4 1106 1 1 4 LYS O O -0.306 6.775 1.057 1.00 . A A . 4 LYS O 1 1 4 1107 1 1 5 LYS C C -2.542 5.403 2.131 1.00 . A A . 5 LYS C 1 1 4 1108 1 1 5 LYS CA C -2.246 6.633 2.964 1.00 . A A . 5 LYS CA 1 1 4 1109 1 1 5 LYS CB C -3.418 6.924 3.895 1.00 . A A . 5 LYS CB 1 1 4 1110 1 1 5 LYS CD C -5.438 5.949 5.000 1.00 . A A . 5 LYS CD 1 1 4 1111 1 1 5 LYS CE C -5.416 6.414 6.446 1.00 . A A . 5 LYS CE 1 1 4 1112 1 1 5 LYS CG C -4.036 5.677 4.486 1.00 . A A . 5 LYS CG 1 1 4 1113 1 1 5 LYS H H -2.693 8.475 2.068 1.00 . A A . 5 LYS H 1 1 4 1114 1 1 5 LYS HA H -1.348 6.486 3.531 1.00 . A A . 5 LYS HA 1 1 4 1115 1 1 5 LYS HB2 H -3.084 7.556 4.703 1.00 . A A . 5 LYS HB2 1 1 4 1116 1 1 5 LYS HB3 H -4.185 7.441 3.333 1.00 . A A . 5 LYS HB3 1 1 4 1117 1 1 5 LYS HD2 H -5.888 6.719 4.391 1.00 . A A . 5 LYS HD2 1 1 4 1118 1 1 5 LYS HD3 H -6.022 5.043 4.929 1.00 . A A . 5 LYS HD3 1 1 4 1119 1 1 5 LYS HE2 H -6.427 6.630 6.759 1.00 . A A . 5 LYS HE2 1 1 4 1120 1 1 5 LYS HE3 H -5.012 5.622 7.059 1.00 . A A . 5 LYS HE3 1 1 4 1121 1 1 5 LYS HG2 H -4.082 4.921 3.717 1.00 . A A . 5 LYS HG2 1 1 4 1122 1 1 5 LYS HG3 H -3.417 5.334 5.298 1.00 . A A . 5 LYS HG3 1 1 4 1123 1 1 5 LYS HZ1 H -4.889 8.163 7.463 1.00 . A A . 5 LYS HZ1 1 1 4 1124 1 1 5 LYS HZ2 H -4.676 8.254 5.787 1.00 . A A . 5 LYS HZ2 1 1 4 1125 1 1 5 LYS HZ3 H -3.582 7.375 6.730 1.00 . A A . 5 LYS HZ3 1 1 4 1126 1 1 5 LYS N N -2.059 7.730 2.062 1.00 . A A . 5 LYS N 1 1 4 1127 1 1 5 LYS NZ N -4.582 7.637 6.619 1.00 . A A . 5 LYS NZ 1 1 4 1128 1 1 5 LYS O O -1.969 4.333 2.317 1.00 . A A . 5 LYS O 1 1 4 1129 1 1 6 PHE C C -2.643 3.914 -0.390 1.00 . A A . 6 PHE C 1 1 4 1130 1 1 6 PHE CA C -3.848 4.507 0.310 1.00 . A A . 6 PHE CA 1 1 4 1131 1 1 6 PHE CB C -4.864 4.982 -0.734 1.00 . A A . 6 PHE CB 1 1 4 1132 1 1 6 PHE CD1 C -6.252 5.847 1.191 1.00 . A A . 6 PHE CD1 1 1 4 1133 1 1 6 PHE CD2 C -7.002 6.246 -1.038 1.00 . A A . 6 PHE CD2 1 1 4 1134 1 1 6 PHE CE1 C -7.354 6.518 1.682 1.00 . A A . 6 PHE CE1 1 1 4 1135 1 1 6 PHE CE2 C -8.104 6.918 -0.551 1.00 . A A . 6 PHE CE2 1 1 4 1136 1 1 6 PHE CG C -6.064 5.703 -0.177 1.00 . A A . 6 PHE CG 1 1 4 1137 1 1 6 PHE CZ C -8.278 7.056 0.810 1.00 . A A . 6 PHE CZ 1 1 4 1138 1 1 6 PHE H H -3.856 6.473 1.100 1.00 . A A . 6 PHE H 1 1 4 1139 1 1 6 PHE HA H -4.294 3.743 0.920 1.00 . A A . 6 PHE HA 1 1 4 1140 1 1 6 PHE HB2 H -4.371 5.654 -1.417 1.00 . A A . 6 PHE HB2 1 1 4 1141 1 1 6 PHE HB3 H -5.222 4.123 -1.285 1.00 . A A . 6 PHE HB3 1 1 4 1142 1 1 6 PHE HD1 H -5.532 5.427 1.876 1.00 . A A . 6 PHE HD1 1 1 4 1143 1 1 6 PHE HD2 H -6.867 6.138 -2.104 1.00 . A A . 6 PHE HD2 1 1 4 1144 1 1 6 PHE HE1 H -7.489 6.625 2.748 1.00 . A A . 6 PHE HE1 1 1 4 1145 1 1 6 PHE HE2 H -8.828 7.337 -1.235 1.00 . A A . 6 PHE HE2 1 1 4 1146 1 1 6 PHE HZ H -9.135 7.585 1.191 1.00 . A A . 6 PHE HZ 1 1 4 1147 1 1 6 PHE N N -3.450 5.586 1.195 1.00 . A A . 6 PHE N 1 1 4 1148 1 1 6 PHE O O -2.649 2.742 -0.763 1.00 . A A . 6 PHE O 1 1 4 1149 1 1 7 LYS C C 0.290 3.247 -0.265 1.00 . A A . 7 LYS C 1 1 4 1150 1 1 7 LYS CA C -0.397 4.227 -1.192 1.00 . A A . 7 LYS CA 1 1 4 1151 1 1 7 LYS CB C 0.532 5.372 -1.622 1.00 . A A . 7 LYS CB 1 1 4 1152 1 1 7 LYS CD C 2.795 4.968 -0.595 1.00 . A A . 7 LYS CD 1 1 4 1153 1 1 7 LYS CE C 2.987 4.242 0.725 1.00 . A A . 7 LYS CE 1 1 4 1154 1 1 7 LYS CG C 1.537 5.818 -0.572 1.00 . A A . 7 LYS CG 1 1 4 1155 1 1 7 LYS H H -1.637 5.635 -0.218 1.00 . A A . 7 LYS H 1 1 4 1156 1 1 7 LYS HA H -0.707 3.685 -2.072 1.00 . A A . 7 LYS HA 1 1 4 1157 1 1 7 LYS HB2 H 1.081 5.052 -2.493 1.00 . A A . 7 LYS HB2 1 1 4 1158 1 1 7 LYS HB3 H -0.077 6.222 -1.890 1.00 . A A . 7 LYS HB3 1 1 4 1159 1 1 7 LYS HD2 H 2.715 4.241 -1.389 1.00 . A A . 7 LYS HD2 1 1 4 1160 1 1 7 LYS HD3 H 3.647 5.608 -0.773 1.00 . A A . 7 LYS HD3 1 1 4 1161 1 1 7 LYS HE2 H 2.143 4.461 1.366 1.00 . A A . 7 LYS HE2 1 1 4 1162 1 1 7 LYS HE3 H 3.023 3.180 0.532 1.00 . A A . 7 LYS HE3 1 1 4 1163 1 1 7 LYS HG2 H 1.807 6.846 -0.759 1.00 . A A . 7 LYS HG2 1 1 4 1164 1 1 7 LYS HG3 H 1.081 5.737 0.400 1.00 . A A . 7 LYS HG3 1 1 4 1165 1 1 7 LYS HZ1 H 4.081 4.716 2.442 1.00 . A A . 7 LYS HZ1 1 1 4 1166 1 1 7 LYS HZ2 H 4.549 5.587 1.069 1.00 . A A . 7 LYS HZ2 1 1 4 1167 1 1 7 LYS HZ3 H 4.996 3.964 1.232 1.00 . A A . 7 LYS HZ3 1 1 4 1168 1 1 7 LYS N N -1.600 4.716 -0.552 1.00 . A A . 7 LYS N 1 1 4 1169 1 1 7 LYS NZ N 4.241 4.656 1.415 1.00 . A A . 7 LYS NZ 1 1 4 1170 1 1 7 LYS O O 0.900 2.287 -0.715 1.00 . A A . 7 LYS O 1 1 4 1171 1 1 8 LYS C C 0.161 1.149 1.784 1.00 . A A . 8 LYS C 1 1 4 1172 1 1 8 LYS CA C 0.733 2.541 2.011 1.00 . A A . 8 LYS CA 1 1 4 1173 1 1 8 LYS CB C 0.478 3.021 3.453 1.00 . A A . 8 LYS CB 1 1 4 1174 1 1 8 LYS CD C -1.110 1.255 4.367 1.00 . A A . 8 LYS CD 1 1 4 1175 1 1 8 LYS CE C -1.475 1.067 5.834 1.00 . A A . 8 LYS CE 1 1 4 1176 1 1 8 LYS CG C -0.917 2.720 4.012 1.00 . A A . 8 LYS CG 1 1 4 1177 1 1 8 LYS H H -0.375 4.241 1.349 1.00 . A A . 8 LYS H 1 1 4 1178 1 1 8 LYS HA H 1.790 2.501 1.834 1.00 . A A . 8 LYS HA 1 1 4 1179 1 1 8 LYS HB2 H 1.205 2.562 4.104 1.00 . A A . 8 LYS HB2 1 1 4 1180 1 1 8 LYS HB3 H 0.619 4.093 3.477 1.00 . A A . 8 LYS HB3 1 1 4 1181 1 1 8 LYS HD2 H -1.913 0.863 3.755 1.00 . A A . 8 LYS HD2 1 1 4 1182 1 1 8 LYS HD3 H -0.197 0.717 4.158 1.00 . A A . 8 LYS HD3 1 1 4 1183 1 1 8 LYS HE2 H -1.395 0.020 6.079 1.00 . A A . 8 LYS HE2 1 1 4 1184 1 1 8 LYS HE3 H -0.781 1.632 6.439 1.00 . A A . 8 LYS HE3 1 1 4 1185 1 1 8 LYS HG2 H -1.068 3.312 4.902 1.00 . A A . 8 LYS HG2 1 1 4 1186 1 1 8 LYS HG3 H -1.652 2.992 3.275 1.00 . A A . 8 LYS HG3 1 1 4 1187 1 1 8 LYS HZ1 H -3.196 1.103 7.018 1.00 . A A . 8 LYS HZ1 1 1 4 1188 1 1 8 LYS HZ2 H -3.504 1.241 5.362 1.00 . A A . 8 LYS HZ2 1 1 4 1189 1 1 8 LYS HZ3 H -2.883 2.562 6.220 1.00 . A A . 8 LYS HZ3 1 1 4 1190 1 1 8 LYS N N 0.150 3.464 1.040 1.00 . A A . 8 LYS N 1 1 4 1191 1 1 8 LYS NZ N -2.862 1.525 6.129 1.00 . A A . 8 LYS NZ 1 1 4 1192 1 1 8 LYS O O 0.884 0.148 1.748 1.00 . A A . 8 LYS O 1 1 4 1193 1 1 9 LYS C C -1.660 -0.567 -0.093 1.00 . A A . 9 LYS C 1 1 4 1194 1 1 9 LYS CA C -1.856 -0.136 1.349 1.00 . A A . 9 LYS CA 1 1 4 1195 1 1 9 LYS CB C -3.349 0.037 1.647 1.00 . A A . 9 LYS CB 1 1 4 1196 1 1 9 LYS CD C -3.909 -2.265 2.518 1.00 . A A . 9 LYS CD 1 1 4 1197 1 1 9 LYS CE C -4.590 -2.545 1.184 1.00 . A A . 9 LYS CE 1 1 4 1198 1 1 9 LYS CG C -3.845 -0.777 2.833 1.00 . A A . 9 LYS CG 1 1 4 1199 1 1 9 LYS H H -1.647 1.956 1.620 1.00 . A A . 9 LYS H 1 1 4 1200 1 1 9 LYS HA H -1.441 -0.890 1.993 1.00 . A A . 9 LYS HA 1 1 4 1201 1 1 9 LYS HB2 H -3.543 1.079 1.852 1.00 . A A . 9 LYS HB2 1 1 4 1202 1 1 9 LYS HB3 H -3.915 -0.257 0.776 1.00 . A A . 9 LYS HB3 1 1 4 1203 1 1 9 LYS HD2 H -2.903 -2.650 2.481 1.00 . A A . 9 LYS HD2 1 1 4 1204 1 1 9 LYS HD3 H -4.456 -2.763 3.304 1.00 . A A . 9 LYS HD3 1 1 4 1205 1 1 9 LYS HE2 H -5.229 -1.711 0.937 1.00 . A A . 9 LYS HE2 1 1 4 1206 1 1 9 LYS HE3 H -3.830 -2.652 0.422 1.00 . A A . 9 LYS HE3 1 1 4 1207 1 1 9 LYS HG2 H -3.171 -0.628 3.664 1.00 . A A . 9 LYS HG2 1 1 4 1208 1 1 9 LYS HG3 H -4.833 -0.434 3.104 1.00 . A A . 9 LYS HG3 1 1 4 1209 1 1 9 LYS HZ1 H -5.012 -4.504 0.584 1.00 . A A . 9 LYS HZ1 1 1 4 1210 1 1 9 LYS HZ2 H -6.386 -3.581 0.924 1.00 . A A . 9 LYS HZ2 1 1 4 1211 1 1 9 LYS HZ3 H -5.435 -4.173 2.189 1.00 . A A . 9 LYS HZ3 1 1 4 1212 1 1 9 LYS N N -1.147 1.112 1.601 1.00 . A A . 9 LYS N 1 1 4 1213 1 1 9 LYS NZ N -5.413 -3.787 1.223 1.00 . A A . 9 LYS NZ 1 1 4 1214 1 1 9 LYS O O -1.654 -1.757 -0.410 1.00 . A A . 9 LYS O 1 1 4 1215 1 1 10 LEU C C 0.158 -0.302 -2.605 1.00 . A A . 10 LEU C 1 1 4 1216 1 1 10 LEU CA C -1.273 0.136 -2.364 1.00 . A A . 10 LEU CA 1 1 4 1217 1 1 10 LEU CB C -1.595 1.372 -3.198 1.00 . A A . 10 LEU CB 1 1 4 1218 1 1 10 LEU CD1 C -3.448 0.982 -4.839 1.00 . A A . 10 LEU CD1 1 1 4 1219 1 1 10 LEU CD2 C -1.357 2.150 -5.568 1.00 . A A . 10 LEU CD2 1 1 4 1220 1 1 10 LEU CG C -1.940 1.082 -4.654 1.00 . A A . 10 LEU CG 1 1 4 1221 1 1 10 LEU H H -1.484 1.340 -0.646 1.00 . A A . 10 LEU H 1 1 4 1222 1 1 10 LEU HA H -1.929 -0.671 -2.650 1.00 . A A . 10 LEU HA 1 1 4 1223 1 1 10 LEU HB2 H -2.432 1.881 -2.743 1.00 . A A . 10 LEU HB2 1 1 4 1224 1 1 10 LEU HB3 H -0.738 2.029 -3.177 1.00 . A A . 10 LEU HB3 1 1 4 1225 1 1 10 LEU HD11 H -3.938 1.694 -4.190 1.00 . A A . 10 LEU HD11 1 1 4 1226 1 1 10 LEU HD12 H -3.773 -0.017 -4.588 1.00 . A A . 10 LEU HD12 1 1 4 1227 1 1 10 LEU HD13 H -3.701 1.196 -5.866 1.00 . A A . 10 LEU HD13 1 1 4 1228 1 1 10 LEU HD21 H -2.091 2.927 -5.729 1.00 . A A . 10 LEU HD21 1 1 4 1229 1 1 10 LEU HD22 H -1.090 1.705 -6.514 1.00 . A A . 10 LEU HD22 1 1 4 1230 1 1 10 LEU HD23 H -0.477 2.576 -5.109 1.00 . A A . 10 LEU HD23 1 1 4 1231 1 1 10 LEU HG H -1.504 0.133 -4.925 1.00 . A A . 10 LEU HG 1 1 4 1232 1 1 10 LEU N N -1.485 0.410 -0.960 1.00 . A A . 10 LEU N 1 1 4 1233 1 1 10 LEU O O 0.455 -0.927 -3.612 1.00 . A A . 10 LEU O 1 1 4 1234 1 1 11 LEU C C 2.636 -1.797 -1.450 1.00 . A A . 11 LEU C 1 1 4 1235 1 1 11 LEU CA C 2.441 -0.332 -1.771 1.00 . A A . 11 LEU CA 1 1 4 1236 1 1 11 LEU CB C 3.320 0.549 -0.859 1.00 . A A . 11 LEU CB 1 1 4 1237 1 1 11 LEU CD1 C 4.875 -1.039 0.314 1.00 . A A . 11 LEU CD1 1 1 4 1238 1 1 11 LEU CD2 C 4.094 1.021 1.491 1.00 . A A . 11 LEU CD2 1 1 4 1239 1 1 11 LEU CG C 3.718 -0.065 0.492 1.00 . A A . 11 LEU CG 1 1 4 1240 1 1 11 LEU H H 0.719 0.528 -0.884 1.00 . A A . 11 LEU H 1 1 4 1241 1 1 11 LEU HA H 2.732 -0.178 -2.790 1.00 . A A . 11 LEU HA 1 1 4 1242 1 1 11 LEU HB2 H 4.226 0.785 -1.396 1.00 . A A . 11 LEU HB2 1 1 4 1243 1 1 11 LEU HB3 H 2.792 1.467 -0.667 1.00 . A A . 11 LEU HB3 1 1 4 1244 1 1 11 LEU HD11 H 5.545 -0.963 1.159 1.00 . A A . 11 LEU HD11 1 1 4 1245 1 1 11 LEU HD12 H 5.409 -0.799 -0.594 1.00 . A A . 11 LEU HD12 1 1 4 1246 1 1 11 LEU HD13 H 4.490 -2.048 0.249 1.00 . A A . 11 LEU HD13 1 1 4 1247 1 1 11 LEU HD21 H 3.232 1.273 2.091 1.00 . A A . 11 LEU HD21 1 1 4 1248 1 1 11 LEU HD22 H 4.434 1.897 0.961 1.00 . A A . 11 LEU HD22 1 1 4 1249 1 1 11 LEU HD23 H 4.885 0.661 2.134 1.00 . A A . 11 LEU HD23 1 1 4 1250 1 1 11 LEU HG H 2.876 -0.610 0.895 1.00 . A A . 11 LEU HG 1 1 4 1251 1 1 11 LEU N N 1.033 0.030 -1.665 1.00 . A A . 11 LEU N 1 1 4 1252 1 1 11 LEU O O 3.364 -2.505 -2.145 1.00 . A A . 11 LEU O 1 1 4 1253 1 1 12 LYS C C 1.592 -4.514 -1.187 1.00 . A A . 12 LYS C 1 1 4 1254 1 1 12 LYS CA C 2.070 -3.652 -0.024 1.00 . A A . 12 LYS CA 1 1 4 1255 1 1 12 LYS CB C 1.265 -3.900 1.275 1.00 . A A . 12 LYS CB 1 1 4 1256 1 1 12 LYS CD C -1.251 -4.104 1.391 1.00 . A A . 12 LYS CD 1 1 4 1257 1 1 12 LYS CE C -2.362 -5.078 1.753 1.00 . A A . 12 LYS CE 1 1 4 1258 1 1 12 LYS CG C 0.059 -4.833 1.158 1.00 . A A . 12 LYS CG 1 1 4 1259 1 1 12 LYS H H 1.390 -1.641 0.108 1.00 . A A . 12 LYS H 1 1 4 1260 1 1 12 LYS HA H 3.111 -3.867 0.156 1.00 . A A . 12 LYS HA 1 1 4 1261 1 1 12 LYS HB2 H 1.933 -4.322 2.009 1.00 . A A . 12 LYS HB2 1 1 4 1262 1 1 12 LYS HB3 H 0.915 -2.946 1.641 1.00 . A A . 12 LYS HB3 1 1 4 1263 1 1 12 LYS HD2 H -1.123 -3.399 2.199 1.00 . A A . 12 LYS HD2 1 1 4 1264 1 1 12 LYS HD3 H -1.524 -3.581 0.490 1.00 . A A . 12 LYS HD3 1 1 4 1265 1 1 12 LYS HE2 H -1.977 -5.799 2.458 1.00 . A A . 12 LYS HE2 1 1 4 1266 1 1 12 LYS HE3 H -3.173 -4.530 2.206 1.00 . A A . 12 LYS HE3 1 1 4 1267 1 1 12 LYS HG2 H 0.035 -5.277 0.183 1.00 . A A . 12 LYS HG2 1 1 4 1268 1 1 12 LYS HG3 H 0.152 -5.607 1.898 1.00 . A A . 12 LYS HG3 1 1 4 1269 1 1 12 LYS HZ1 H -3.202 -5.115 -0.158 1.00 . A A . 12 LYS HZ1 1 1 4 1270 1 1 12 LYS HZ2 H -3.671 -6.412 0.822 1.00 . A A . 12 LYS HZ2 1 1 4 1271 1 1 12 LYS HZ3 H -2.123 -6.381 0.141 1.00 . A A . 12 LYS HZ3 1 1 4 1272 1 1 12 LYS N N 1.970 -2.255 -0.406 1.00 . A A . 12 LYS N 1 1 4 1273 1 1 12 LYS NZ N -2.875 -5.797 0.556 1.00 . A A . 12 LYS NZ 1 1 4 1274 1 1 12 LYS O O 2.345 -5.356 -1.722 1.00 . A A . 12 LYS O 1 1 4 1275 1 1 13 SER C C 0.452 -4.638 -3.991 1.00 . A A . 13 SER C 1 1 4 1276 1 1 13 SER CA C -0.271 -4.958 -2.702 1.00 . A A . 13 SER CA 1 1 4 1277 1 1 13 SER CB C -1.737 -4.558 -2.843 1.00 . A A . 13 SER CB 1 1 4 1278 1 1 13 SER H H -0.164 -3.550 -1.133 1.00 . A A . 13 SER H 1 1 4 1279 1 1 13 SER HA H -0.205 -6.020 -2.513 1.00 . A A . 13 SER HA 1 1 4 1280 1 1 13 SER HB2 H -1.797 -3.634 -3.402 1.00 . A A . 13 SER HB2 1 1 4 1281 1 1 13 SER HB3 H -2.269 -5.334 -3.373 1.00 . A A . 13 SER HB3 1 1 4 1282 1 1 13 SER HG H -2.669 -3.468 -1.507 1.00 . A A . 13 SER HG 1 1 4 1283 1 1 13 SER N N 0.346 -4.256 -1.592 1.00 . A A . 13 SER N 1 1 4 1284 1 1 13 SER O O 0.669 -5.522 -4.820 1.00 . A A . 13 SER O 1 1 4 1285 1 1 13 SER OG O -2.343 -4.369 -1.574 1.00 . A A . 13 SER OG 1 1 4 1286 1 1 14 LEU C C 2.497 -4.039 -5.785 1.00 . A A . 14 LEU C 1 1 4 1287 1 1 14 LEU CA C 1.544 -2.942 -5.354 1.00 . A A . 14 LEU CA 1 1 4 1288 1 1 14 LEU CB C 2.320 -1.640 -5.098 1.00 . A A . 14 LEU CB 1 1 4 1289 1 1 14 LEU CD1 C 3.432 -0.097 -6.744 1.00 . A A . 14 LEU CD1 1 1 4 1290 1 1 14 LEU CD2 C 4.824 -1.448 -5.157 1.00 . A A . 14 LEU CD2 1 1 4 1291 1 1 14 LEU CG C 3.546 -1.414 -5.987 1.00 . A A . 14 LEU CG 1 1 4 1292 1 1 14 LEU H H 0.630 -2.704 -3.454 1.00 . A A . 14 LEU H 1 1 4 1293 1 1 14 LEU HA H 0.819 -2.778 -6.136 1.00 . A A . 14 LEU HA 1 1 4 1294 1 1 14 LEU HB2 H 1.643 -0.812 -5.246 1.00 . A A . 14 LEU HB2 1 1 4 1295 1 1 14 LEU HB3 H 2.642 -1.641 -4.068 1.00 . A A . 14 LEU HB3 1 1 4 1296 1 1 14 LEU HD11 H 2.738 0.553 -6.230 1.00 . A A . 14 LEU HD11 1 1 4 1297 1 1 14 LEU HD12 H 3.074 -0.287 -7.745 1.00 . A A . 14 LEU HD12 1 1 4 1298 1 1 14 LEU HD13 H 4.400 0.378 -6.791 1.00 . A A . 14 LEU HD13 1 1 4 1299 1 1 14 LEU HD21 H 4.791 -2.288 -4.480 1.00 . A A . 14 LEU HD21 1 1 4 1300 1 1 14 LEU HD22 H 4.909 -0.532 -4.590 1.00 . A A . 14 LEU HD22 1 1 4 1301 1 1 14 LEU HD23 H 5.678 -1.545 -5.812 1.00 . A A . 14 LEU HD23 1 1 4 1302 1 1 14 LEU HG H 3.596 -2.210 -6.713 1.00 . A A . 14 LEU HG 1 1 4 1303 1 1 14 LEU N N 0.832 -3.366 -4.155 1.00 . A A . 14 LEU N 1 1 4 1304 1 1 14 LEU O O 2.356 -4.616 -6.862 1.00 . A A . 14 LEU O 1 1 4 1305 1 1 15 LYS C C 3.987 -6.732 -4.685 1.00 . A A . 15 LYS C 1 1 4 1306 1 1 15 LYS CA C 4.425 -5.363 -5.218 1.00 . A A . 15 LYS CA 1 1 4 1307 1 1 15 LYS CB C 5.798 -4.982 -4.659 1.00 . A A . 15 LYS CB 1 1 4 1308 1 1 15 LYS CD C 7.150 -7.097 -4.610 1.00 . A A . 15 LYS CD 1 1 4 1309 1 1 15 LYS CE C 6.726 -8.255 -5.502 1.00 . A A . 15 LYS CE 1 1 4 1310 1 1 15 LYS CG C 6.940 -5.756 -5.294 1.00 . A A . 15 LYS CG 1 1 4 1311 1 1 15 LYS H H 3.515 -3.838 -4.076 1.00 . A A . 15 LYS H 1 1 4 1312 1 1 15 LYS HA H 4.504 -5.431 -6.291 1.00 . A A . 15 LYS HA 1 1 4 1313 1 1 15 LYS HB2 H 5.964 -3.929 -4.834 1.00 . A A . 15 LYS HB2 1 1 4 1314 1 1 15 LYS HB3 H 5.812 -5.167 -3.597 1.00 . A A . 15 LYS HB3 1 1 4 1315 1 1 15 LYS HD2 H 8.197 -7.207 -4.370 1.00 . A A . 15 LYS HD2 1 1 4 1316 1 1 15 LYS HD3 H 6.566 -7.122 -3.702 1.00 . A A . 15 LYS HD3 1 1 4 1317 1 1 15 LYS HE2 H 5.699 -8.506 -5.280 1.00 . A A . 15 LYS HE2 1 1 4 1318 1 1 15 LYS HE3 H 6.805 -7.947 -6.534 1.00 . A A . 15 LYS HE3 1 1 4 1319 1 1 15 LYS HG2 H 6.712 -5.924 -6.336 1.00 . A A . 15 LYS HG2 1 1 4 1320 1 1 15 LYS HG3 H 7.846 -5.171 -5.213 1.00 . A A . 15 LYS HG3 1 1 4 1321 1 1 15 LYS HZ1 H 7.003 -10.323 -5.388 1.00 . A A . 15 LYS HZ1 1 1 4 1322 1 1 15 LYS HZ2 H 7.989 -9.440 -4.335 1.00 . A A . 15 LYS HZ2 1 1 4 1323 1 1 15 LYS HZ3 H 8.344 -9.483 -5.987 1.00 . A A . 15 LYS HZ3 1 1 4 1324 1 1 15 LYS N N 3.460 -4.329 -4.925 1.00 . A A . 15 LYS N 1 1 4 1325 1 1 15 LYS NZ N 7.574 -9.459 -5.288 1.00 . A A . 15 LYS NZ 1 1 4 1326 1 1 15 LYS O O 3.469 -7.554 -5.441 1.00 . A A . 15 LYS O 1 1 4 1327 1 1 16 ARG C C 2.486 -8.251 -2.113 1.00 . A A . 16 ARG C 1 1 4 1328 1 1 16 ARG CA C 3.841 -8.273 -2.806 1.00 . A A . 16 ARG CA 1 1 4 1329 1 1 16 ARG CB C 4.936 -8.748 -1.848 1.00 . A A . 16 ARG CB 1 1 4 1330 1 1 16 ARG CD C 4.135 -11.132 -1.881 1.00 . A A . 16 ARG CD 1 1 4 1331 1 1 16 ARG CG C 4.545 -9.956 -1.010 1.00 . A A . 16 ARG CG 1 1 4 1332 1 1 16 ARG CZ C 2.531 -13.003 -1.814 1.00 . A A . 16 ARG CZ 1 1 4 1333 1 1 16 ARG H H 4.607 -6.297 -2.818 1.00 . A A . 16 ARG H 1 1 4 1334 1 1 16 ARG HA H 3.780 -8.977 -3.615 1.00 . A A . 16 ARG HA 1 1 4 1335 1 1 16 ARG HB2 H 5.809 -9.012 -2.427 1.00 . A A . 16 ARG HB2 1 1 4 1336 1 1 16 ARG HB3 H 5.190 -7.940 -1.180 1.00 . A A . 16 ARG HB3 1 1 4 1337 1 1 16 ARG HD2 H 3.873 -10.765 -2.861 1.00 . A A . 16 ARG HD2 1 1 4 1338 1 1 16 ARG HD3 H 4.972 -11.810 -1.962 1.00 . A A . 16 ARG HD3 1 1 4 1339 1 1 16 ARG HE H 2.547 -11.462 -0.542 1.00 . A A . 16 ARG HE 1 1 4 1340 1 1 16 ARG HG2 H 5.389 -10.250 -0.403 1.00 . A A . 16 ARG HG2 1 1 4 1341 1 1 16 ARG HG3 H 3.717 -9.688 -0.372 1.00 . A A . 16 ARG HG3 1 1 4 1342 1 1 16 ARG HH11 H 3.883 -13.112 -3.316 1.00 . A A . 16 ARG HH11 1 1 4 1343 1 1 16 ARG HH12 H 2.748 -14.419 -3.241 1.00 . A A . 16 ARG HH12 1 1 4 1344 1 1 16 ARG HH21 H 1.058 -13.187 -0.441 1.00 . A A . 16 ARG HH21 1 1 4 1345 1 1 16 ARG HH22 H 1.146 -14.462 -1.611 1.00 . A A . 16 ARG HH22 1 1 4 1346 1 1 16 ARG N N 4.208 -6.987 -3.393 1.00 . A A . 16 ARG N 1 1 4 1347 1 1 16 ARG NE N 2.993 -11.854 -1.324 1.00 . A A . 16 ARG NE 1 1 4 1348 1 1 16 ARG NH1 N 3.102 -13.556 -2.877 1.00 . A A . 16 ARG NH1 1 1 4 1349 1 1 16 ARG NH2 N 1.494 -13.600 -1.242 1.00 . A A . 16 ARG NH2 1 1 4 1350 1 1 16 ARG O O 1.473 -8.684 -2.662 1.00 . A A . 16 ARG O 1 1 4 1351 1 1 17 LEU C C 1.789 -7.575 1.459 1.00 . A A . 17 LEU C 1 1 4 1352 1 1 17 LEU CA C 1.342 -7.662 -0.006 1.00 . A A . 17 LEU CA 1 1 4 1353 1 1 17 LEU CB C 0.401 -8.867 -0.212 1.00 . A A . 17 LEU CB 1 1 4 1354 1 1 17 LEU CD1 C -0.995 -8.720 1.880 1.00 . A A . 17 LEU CD1 1 1 4 1355 1 1 17 LEU CD2 C -0.735 -10.910 0.697 1.00 . A A . 17 LEU CD2 1 1 4 1356 1 1 17 LEU CG C -0.058 -9.596 1.058 1.00 . A A . 17 LEU CG 1 1 4 1357 1 1 17 LEU H H 3.376 -7.450 -0.529 1.00 . A A . 17 LEU H 1 1 4 1358 1 1 17 LEU HA H 0.819 -6.760 -0.260 1.00 . A A . 17 LEU HA 1 1 4 1359 1 1 17 LEU HB2 H -0.477 -8.517 -0.735 1.00 . A A . 17 LEU HB2 1 1 4 1360 1 1 17 LEU HB3 H 0.906 -9.584 -0.841 1.00 . A A . 17 LEU HB3 1 1 4 1361 1 1 17 LEU HD11 H -0.957 -7.706 1.510 1.00 . A A . 17 LEU HD11 1 1 4 1362 1 1 17 LEU HD12 H -0.688 -8.736 2.914 1.00 . A A . 17 LEU HD12 1 1 4 1363 1 1 17 LEU HD13 H -2.005 -9.094 1.798 1.00 . A A . 17 LEU HD13 1 1 4 1364 1 1 17 LEU HD21 H 0.003 -11.605 0.325 1.00 . A A . 17 LEU HD21 1 1 4 1365 1 1 17 LEU HD22 H -1.482 -10.733 -0.064 1.00 . A A . 17 LEU HD22 1 1 4 1366 1 1 17 LEU HD23 H -1.209 -11.324 1.576 1.00 . A A . 17 LEU HD23 1 1 4 1367 1 1 17 LEU HG H 0.806 -9.822 1.667 1.00 . A A . 17 LEU HG 1 1 4 1368 1 1 17 LEU N N 2.514 -7.755 -0.876 1.00 . A A . 17 LEU N 1 1 4 1369 1 1 17 LEU O O 1.054 -7.102 2.322 1.00 . A A . 17 LEU O 1 1 4 1370 1 1 18 GLY C C 5.024 -8.271 3.129 1.00 . A A . 18 GLY C 1 1 4 1371 1 1 18 GLY CA C 3.531 -8.005 3.084 1.00 . A A . 18 GLY CA 1 1 4 1372 1 1 18 GLY H H 3.549 -8.409 1.009 1.00 . A A . 18 GLY H 1 1 4 1373 1 1 18 GLY HA2 H 3.335 -7.032 3.508 1.00 . A A . 18 GLY HA2 1 1 4 1374 1 1 18 GLY HA3 H 3.025 -8.753 3.675 1.00 . A A . 18 GLY HA3 1 1 4 1375 1 1 18 GLY N N 3.006 -8.039 1.731 1.00 . A A . 18 GLY N 1 1 4 1376 1 1 18 GLY O O 5.771 -7.518 3.750 1.00 . A A . 18 GLY O 1 1 5 1377 1 1 1 ALA C C -4.810 13.488 2.169 1.00 . A A . 1 ALA C 1 1 5 1378 1 1 1 ALA CA C -4.514 14.703 1.298 1.00 . A A . 1 ALA CA 1 1 5 1379 1 1 1 ALA CB C -4.036 15.865 2.156 1.00 . A A . 1 ALA CB 1 1 5 1380 1 1 1 ALA H1 H -6.211 14.234 0.236 1.00 . A A . 1 ALA H1 1 1 5 1381 1 1 1 ALA H2 H -5.381 15.628 -0.321 1.00 . A A . 1 ALA H2 1 1 5 1382 1 1 1 ALA H3 H -6.306 15.697 1.122 1.00 . A A . 1 ALA H3 1 1 5 1383 1 1 1 ALA HA H -3.724 14.451 0.607 1.00 . A A . 1 ALA HA 1 1 5 1384 1 1 1 ALA HB1 H -4.207 16.794 1.633 1.00 . A A . 1 ALA HB1 1 1 5 1385 1 1 1 ALA HB2 H -2.979 15.755 2.355 1.00 . A A . 1 ALA HB2 1 1 5 1386 1 1 1 ALA HB3 H -4.579 15.872 3.089 1.00 . A A . 1 ALA HB3 1 1 5 1387 1 1 1 ALA N N -5.711 15.101 0.513 1.00 . A A . 1 ALA N 1 1 5 1388 1 1 1 ALA O O -5.151 13.622 3.345 1.00 . A A . 1 ALA O 1 1 5 1389 1 1 2 LEU C C -4.599 9.840 1.456 1.00 . A A . 2 LEU C 1 1 5 1390 1 1 2 LEU CA C -4.921 11.059 2.312 1.00 . A A . 2 LEU CA 1 1 5 1391 1 1 2 LEU CB C -6.370 10.996 2.788 1.00 . A A . 2 LEU CB 1 1 5 1392 1 1 2 LEU CD1 C -6.462 10.283 5.189 1.00 . A A . 2 LEU CD1 1 1 5 1393 1 1 2 LEU CD2 C -8.098 9.348 3.546 1.00 . A A . 2 LEU CD2 1 1 5 1394 1 1 2 LEU CG C -6.677 9.846 3.747 1.00 . A A . 2 LEU CG 1 1 5 1395 1 1 2 LEU H H -4.393 12.262 0.649 1.00 . A A . 2 LEU H 1 1 5 1396 1 1 2 LEU HA H -4.274 11.051 3.168 1.00 . A A . 2 LEU HA 1 1 5 1397 1 1 2 LEU HB2 H -6.606 11.928 3.285 1.00 . A A . 2 LEU HB2 1 1 5 1398 1 1 2 LEU HB3 H -7.009 10.896 1.924 1.00 . A A . 2 LEU HB3 1 1 5 1399 1 1 2 LEU HD11 H -7.201 9.812 5.822 1.00 . A A . 2 LEU HD11 1 1 5 1400 1 1 2 LEU HD12 H -6.560 11.356 5.257 1.00 . A A . 2 LEU HD12 1 1 5 1401 1 1 2 LEU HD13 H -5.472 9.990 5.510 1.00 . A A . 2 LEU HD13 1 1 5 1402 1 1 2 LEU HD21 H -8.772 9.922 4.165 1.00 . A A . 2 LEU HD21 1 1 5 1403 1 1 2 LEU HD22 H -8.157 8.305 3.823 1.00 . A A . 2 LEU HD22 1 1 5 1404 1 1 2 LEU HD23 H -8.376 9.460 2.509 1.00 . A A . 2 LEU HD23 1 1 5 1405 1 1 2 LEU HG H -6.000 9.030 3.542 1.00 . A A . 2 LEU HG 1 1 5 1406 1 1 2 LEU N N -4.672 12.301 1.585 1.00 . A A . 2 LEU N 1 1 5 1407 1 1 2 LEU O O -4.158 8.807 1.957 1.00 . A A . 2 LEU O 1 1 5 1408 1 1 3 TYR C C -3.154 8.300 -0.513 1.00 . A A . 3 TYR C 1 1 5 1409 1 1 3 TYR CA C -4.544 8.855 -0.750 1.00 . A A . 3 TYR CA 1 1 5 1410 1 1 3 TYR CB C -4.699 9.300 -2.204 1.00 . A A . 3 TYR CB 1 1 5 1411 1 1 3 TYR CD1 C -7.098 9.788 -1.605 1.00 . A A . 3 TYR CD1 1 1 5 1412 1 1 3 TYR CD2 C -6.258 10.641 -3.663 1.00 . A A . 3 TYR CD2 1 1 5 1413 1 1 3 TYR CE1 C -8.327 10.348 -1.864 1.00 . A A . 3 TYR CE1 1 1 5 1414 1 1 3 TYR CE2 C -7.488 11.208 -3.933 1.00 . A A . 3 TYR CE2 1 1 5 1415 1 1 3 TYR CG C -6.044 9.922 -2.497 1.00 . A A . 3 TYR CG 1 1 5 1416 1 1 3 TYR CZ C -8.521 11.060 -3.031 1.00 . A A . 3 TYR CZ 1 1 5 1417 1 1 3 TYR H H -5.178 10.796 -0.188 1.00 . A A . 3 TYR H 1 1 5 1418 1 1 3 TYR HA H -5.255 8.080 -0.534 1.00 . A A . 3 TYR HA 1 1 5 1419 1 1 3 TYR HB2 H -3.937 10.029 -2.433 1.00 . A A . 3 TYR HB2 1 1 5 1420 1 1 3 TYR HB3 H -4.578 8.443 -2.850 1.00 . A A . 3 TYR HB3 1 1 5 1421 1 1 3 TYR HD1 H -6.943 9.234 -0.690 1.00 . A A . 3 TYR HD1 1 1 5 1422 1 1 3 TYR HD2 H -5.445 10.753 -4.366 1.00 . A A . 3 TYR HD2 1 1 5 1423 1 1 3 TYR HE1 H -9.128 10.226 -1.156 1.00 . A A . 3 TYR HE1 1 1 5 1424 1 1 3 TYR HE2 H -7.633 11.762 -4.844 1.00 . A A . 3 TYR HE2 1 1 5 1425 1 1 3 TYR HH H -10.086 12.040 -2.500 1.00 . A A . 3 TYR HH 1 1 5 1426 1 1 3 TYR N N -4.820 9.958 0.161 1.00 . A A . 3 TYR N 1 1 5 1427 1 1 3 TYR O O -2.908 7.109 -0.703 1.00 . A A . 3 TYR O 1 1 5 1428 1 1 3 TYR OH O -9.749 11.621 -3.295 1.00 . A A . 3 TYR OH 1 1 5 1429 1 1 4 LYS C C -0.977 7.549 1.188 1.00 . A A . 4 LYS C 1 1 5 1430 1 1 4 LYS CA C -0.901 8.730 0.245 1.00 . A A . 4 LYS CA 1 1 5 1431 1 1 4 LYS CB C -0.086 9.890 0.836 1.00 . A A . 4 LYS CB 1 1 5 1432 1 1 4 LYS CD C -1.563 10.426 2.808 1.00 . A A . 4 LYS CD 1 1 5 1433 1 1 4 LYS CE C -1.614 11.869 3.276 1.00 . A A . 4 LYS CE 1 1 5 1434 1 1 4 LYS CG C -0.168 10.022 2.355 1.00 . A A . 4 LYS CG 1 1 5 1435 1 1 4 LYS H H -2.513 10.089 0.100 1.00 . A A . 4 LYS H 1 1 5 1436 1 1 4 LYS HA H -0.452 8.399 -0.667 1.00 . A A . 4 LYS HA 1 1 5 1437 1 1 4 LYS HB2 H 0.949 9.757 0.567 1.00 . A A . 4 LYS HB2 1 1 5 1438 1 1 4 LYS HB3 H -0.445 10.813 0.401 1.00 . A A . 4 LYS HB3 1 1 5 1439 1 1 4 LYS HD2 H -2.245 10.308 1.983 1.00 . A A . 4 LYS HD2 1 1 5 1440 1 1 4 LYS HD3 H -1.867 9.783 3.622 1.00 . A A . 4 LYS HD3 1 1 5 1441 1 1 4 LYS HE2 H -2.646 12.186 3.298 1.00 . A A . 4 LYS HE2 1 1 5 1442 1 1 4 LYS HE3 H -1.200 11.926 4.273 1.00 . A A . 4 LYS HE3 1 1 5 1443 1 1 4 LYS HG2 H 0.084 9.073 2.805 1.00 . A A . 4 LYS HG2 1 1 5 1444 1 1 4 LYS HG3 H 0.538 10.773 2.679 1.00 . A A . 4 LYS HG3 1 1 5 1445 1 1 4 LYS HZ1 H 0.173 12.683 2.559 1.00 . A A . 4 LYS HZ1 1 1 5 1446 1 1 4 LYS HZ2 H -1.126 13.765 2.542 1.00 . A A . 4 LYS HZ2 1 1 5 1447 1 1 4 LYS HZ3 H -1.035 12.539 1.382 1.00 . A A . 4 LYS HZ3 1 1 5 1448 1 1 4 LYS N N -2.253 9.160 -0.059 1.00 . A A . 4 LYS N 1 1 5 1449 1 1 4 LYS NZ N -0.846 12.778 2.377 1.00 . A A . 4 LYS NZ 1 1 5 1450 1 1 4 LYS O O -0.257 6.558 1.053 1.00 . A A . 4 LYS O 1 1 5 1451 1 1 5 LYS C C -2.527 5.333 2.207 1.00 . A A . 5 LYS C 1 1 5 1452 1 1 5 LYS CA C -2.175 6.562 3.017 1.00 . A A . 5 LYS CA 1 1 5 1453 1 1 5 LYS CB C -3.319 6.945 3.955 1.00 . A A . 5 LYS CB 1 1 5 1454 1 1 5 LYS CD C -5.467 6.209 4.994 1.00 . A A . 5 LYS CD 1 1 5 1455 1 1 5 LYS CE C -5.400 6.533 6.477 1.00 . A A . 5 LYS CE 1 1 5 1456 1 1 5 LYS CG C -4.117 5.764 4.457 1.00 . A A . 5 LYS CG 1 1 5 1457 1 1 5 LYS H H -2.507 8.418 2.107 1.00 . A A . 5 LYS H 1 1 5 1458 1 1 5 LYS HA H -1.282 6.380 3.580 1.00 . A A . 5 LYS HA 1 1 5 1459 1 1 5 LYS HB2 H -2.913 7.470 4.805 1.00 . A A . 5 LYS HB2 1 1 5 1460 1 1 5 LYS HB3 H -3.994 7.604 3.423 1.00 . A A . 5 LYS HB3 1 1 5 1461 1 1 5 LYS HD2 H -5.778 7.093 4.457 1.00 . A A . 5 LYS HD2 1 1 5 1462 1 1 5 LYS HD3 H -6.185 5.417 4.837 1.00 . A A . 5 LYS HD3 1 1 5 1463 1 1 5 LYS HE2 H -6.347 6.951 6.782 1.00 . A A . 5 LYS HE2 1 1 5 1464 1 1 5 LYS HE3 H -5.218 5.619 7.025 1.00 . A A . 5 LYS HE3 1 1 5 1465 1 1 5 LYS HG2 H -4.270 5.081 3.637 1.00 . A A . 5 LYS HG2 1 1 5 1466 1 1 5 LYS HG3 H -3.561 5.275 5.241 1.00 . A A . 5 LYS HG3 1 1 5 1467 1 1 5 LYS HZ1 H -4.297 8.256 6.062 1.00 . A A . 5 LYS HZ1 1 1 5 1468 1 1 5 LYS HZ2 H -3.397 7.029 6.800 1.00 . A A . 5 LYS HZ2 1 1 5 1469 1 1 5 LYS HZ3 H -4.487 7.944 7.714 1.00 . A A . 5 LYS HZ3 1 1 5 1470 1 1 5 LYS N N -1.925 7.634 2.096 1.00 . A A . 5 LYS N 1 1 5 1471 1 1 5 LYS NZ N -4.320 7.509 6.785 1.00 . A A . 5 LYS NZ 1 1 5 1472 1 1 5 LYS O O -1.962 4.257 2.381 1.00 . A A . 5 LYS O 1 1 5 1473 1 1 6 PHE C C -2.668 3.787 -0.249 1.00 . A A . 6 PHE C 1 1 5 1474 1 1 6 PHE CA C -3.875 4.425 0.423 1.00 . A A . 6 PHE CA 1 1 5 1475 1 1 6 PHE CB C -4.865 4.893 -0.652 1.00 . A A . 6 PHE CB 1 1 5 1476 1 1 6 PHE CD1 C -6.306 5.786 1.214 1.00 . A A . 6 PHE CD1 1 1 5 1477 1 1 6 PHE CD2 C -6.871 6.331 -1.038 1.00 . A A . 6 PHE CD2 1 1 5 1478 1 1 6 PHE CE1 C -7.388 6.521 1.663 1.00 . A A . 6 PHE CE1 1 1 5 1479 1 1 6 PHE CE2 C -7.950 7.067 -0.594 1.00 . A A . 6 PHE CE2 1 1 5 1480 1 1 6 PHE CG C -6.036 5.684 -0.142 1.00 . A A . 6 PHE CG 1 1 5 1481 1 1 6 PHE CZ C -8.208 7.162 0.754 1.00 . A A . 6 PHE CZ 1 1 5 1482 1 1 6 PHE H H -3.853 6.414 1.186 1.00 . A A . 6 PHE H 1 1 5 1483 1 1 6 PHE HA H -4.346 3.688 1.046 1.00 . A A . 6 PHE HA 1 1 5 1484 1 1 6 PHE HB2 H -4.342 5.513 -1.363 1.00 . A A . 6 PHE HB2 1 1 5 1485 1 1 6 PHE HB3 H -5.254 4.025 -1.165 1.00 . A A . 6 PHE HB3 1 1 5 1486 1 1 6 PHE HD1 H -5.664 5.284 1.924 1.00 . A A . 6 PHE HD1 1 1 5 1487 1 1 6 PHE HD2 H -6.667 6.259 -2.096 1.00 . A A . 6 PHE HD2 1 1 5 1488 1 1 6 PHE HE1 H -7.592 6.595 2.721 1.00 . A A . 6 PHE HE1 1 1 5 1489 1 1 6 PHE HE2 H -8.594 7.567 -1.304 1.00 . A A . 6 PHE HE2 1 1 5 1490 1 1 6 PHE HZ H -9.046 7.742 1.098 1.00 . A A . 6 PHE HZ 1 1 5 1491 1 1 6 PHE N N -3.456 5.518 1.289 1.00 . A A . 6 PHE N 1 1 5 1492 1 1 6 PHE O O -2.721 2.632 -0.670 1.00 . A A . 6 PHE O 1 1 5 1493 1 1 7 LYS C C 0.272 3.028 0.014 1.00 . A A . 7 LYS C 1 1 5 1494 1 1 7 LYS CA C -0.361 4.021 -0.934 1.00 . A A . 7 LYS CA 1 1 5 1495 1 1 7 LYS CB C 0.597 5.165 -1.291 1.00 . A A . 7 LYS CB 1 1 5 1496 1 1 7 LYS CD C 2.271 6.469 0.084 1.00 . A A . 7 LYS CD 1 1 5 1497 1 1 7 LYS CE C 2.372 6.333 1.597 1.00 . A A . 7 LYS CE 1 1 5 1498 1 1 7 LYS CG C 1.947 5.136 -0.574 1.00 . A A . 7 LYS CG 1 1 5 1499 1 1 7 LYS H H -1.579 5.441 0.030 1.00 . A A . 7 LYS H 1 1 5 1500 1 1 7 LYS HA H -0.638 3.500 -1.837 1.00 . A A . 7 LYS HA 1 1 5 1501 1 1 7 LYS HB2 H 0.784 5.121 -2.350 1.00 . A A . 7 LYS HB2 1 1 5 1502 1 1 7 LYS HB3 H 0.110 6.099 -1.062 1.00 . A A . 7 LYS HB3 1 1 5 1503 1 1 7 LYS HD2 H 3.215 6.828 -0.298 1.00 . A A . 7 LYS HD2 1 1 5 1504 1 1 7 LYS HD3 H 1.491 7.179 -0.154 1.00 . A A . 7 LYS HD3 1 1 5 1505 1 1 7 LYS HE2 H 1.498 6.777 2.047 1.00 . A A . 7 LYS HE2 1 1 5 1506 1 1 7 LYS HE3 H 2.407 5.282 1.850 1.00 . A A . 7 LYS HE3 1 1 5 1507 1 1 7 LYS HG2 H 1.927 4.373 0.186 1.00 . A A . 7 LYS HG2 1 1 5 1508 1 1 7 LYS HG3 H 2.716 4.906 -1.295 1.00 . A A . 7 LYS HG3 1 1 5 1509 1 1 7 LYS HZ1 H 3.344 7.948 2.497 1.00 . A A . 7 LYS HZ1 1 1 5 1510 1 1 7 LYS HZ2 H 4.303 7.101 1.391 1.00 . A A . 7 LYS HZ2 1 1 5 1511 1 1 7 LYS HZ3 H 3.989 6.440 2.916 1.00 . A A . 7 LYS HZ3 1 1 5 1512 1 1 7 LYS N N -1.573 4.535 -0.334 1.00 . A A . 7 LYS N 1 1 5 1513 1 1 7 LYS NZ N 3.587 7.002 2.138 1.00 . A A . 7 LYS NZ 1 1 5 1514 1 1 7 LYS O O 0.812 2.017 -0.407 1.00 . A A . 7 LYS O 1 1 5 1515 1 1 8 LYS C C 0.150 1.010 2.054 1.00 . A A . 8 LYS C 1 1 5 1516 1 1 8 LYS CA C 0.729 2.397 2.293 1.00 . A A . 8 LYS CA 1 1 5 1517 1 1 8 LYS CB C 0.423 2.881 3.722 1.00 . A A . 8 LYS CB 1 1 5 1518 1 1 8 LYS CD C -1.292 1.205 4.559 1.00 . A A . 8 LYS CD 1 1 5 1519 1 1 8 LYS CE C -1.741 1.074 6.006 1.00 . A A . 8 LYS CE 1 1 5 1520 1 1 8 LYS CG C -1.017 2.654 4.183 1.00 . A A . 8 LYS CG 1 1 5 1521 1 1 8 LYS H H -0.280 4.130 1.595 1.00 . A A . 8 LYS H 1 1 5 1522 1 1 8 LYS HA H 1.791 2.359 2.147 1.00 . A A . 8 LYS HA 1 1 5 1523 1 1 8 LYS HB2 H 1.081 2.374 4.409 1.00 . A A . 8 LYS HB2 1 1 5 1524 1 1 8 LYS HB3 H 0.624 3.943 3.769 1.00 . A A . 8 LYS HB3 1 1 5 1525 1 1 8 LYS HD2 H -2.076 0.828 3.915 1.00 . A A . 8 LYS HD2 1 1 5 1526 1 1 8 LYS HD3 H -0.394 0.626 4.415 1.00 . A A . 8 LYS HD3 1 1 5 1527 1 1 8 LYS HE2 H -1.717 0.030 6.282 1.00 . A A . 8 LYS HE2 1 1 5 1528 1 1 8 LYS HE3 H -1.059 1.628 6.634 1.00 . A A . 8 LYS HE3 1 1 5 1529 1 1 8 LYS HG2 H -1.208 3.278 5.043 1.00 . A A . 8 LYS HG2 1 1 5 1530 1 1 8 LYS HG3 H -1.681 2.933 3.385 1.00 . A A . 8 LYS HG3 1 1 5 1531 1 1 8 LYS HZ1 H -3.704 1.411 5.369 1.00 . A A . 8 LYS HZ1 1 1 5 1532 1 1 8 LYS HZ2 H -3.094 2.621 6.384 1.00 . A A . 8 LYS HZ2 1 1 5 1533 1 1 8 LYS HZ3 H -3.560 1.128 7.033 1.00 . A A . 8 LYS HZ3 1 1 5 1534 1 1 8 LYS N N 0.180 3.310 1.305 1.00 . A A . 8 LYS N 1 1 5 1535 1 1 8 LYS NZ N -3.121 1.595 6.213 1.00 . A A . 8 LYS NZ 1 1 5 1536 1 1 8 LYS O O 0.846 -0.010 2.104 1.00 . A A . 8 LYS O 1 1 5 1537 1 1 9 LYS C C -1.697 -0.654 0.051 1.00 . A A . 9 LYS C 1 1 5 1538 1 1 9 LYS CA C -1.868 -0.228 1.501 1.00 . A A . 9 LYS CA 1 1 5 1539 1 1 9 LYS CB C -3.351 -0.041 1.833 1.00 . A A . 9 LYS CB 1 1 5 1540 1 1 9 LYS CD C -3.888 -2.428 2.380 1.00 . A A . 9 LYS CD 1 1 5 1541 1 1 9 LYS CE C -4.792 -2.573 1.163 1.00 . A A . 9 LYS CE 1 1 5 1542 1 1 9 LYS CG C -3.869 -1.000 2.892 1.00 . A A . 9 LYS CG 1 1 5 1543 1 1 9 LYS H H -1.620 1.863 1.736 1.00 . A A . 9 LYS H 1 1 5 1544 1 1 9 LYS HA H -1.453 -0.995 2.128 1.00 . A A . 9 LYS HA 1 1 5 1545 1 1 9 LYS HB2 H -3.501 0.967 2.194 1.00 . A A . 9 LYS HB2 1 1 5 1546 1 1 9 LYS HB3 H -3.935 -0.181 0.935 1.00 . A A . 9 LYS HB3 1 1 5 1547 1 1 9 LYS HD2 H -2.884 -2.711 2.105 1.00 . A A . 9 LYS HD2 1 1 5 1548 1 1 9 LYS HD3 H -4.246 -3.078 3.165 1.00 . A A . 9 LYS HD3 1 1 5 1549 1 1 9 LYS HE2 H -5.672 -1.965 1.310 1.00 . A A . 9 LYS HE2 1 1 5 1550 1 1 9 LYS HE3 H -4.258 -2.228 0.290 1.00 . A A . 9 LYS HE3 1 1 5 1551 1 1 9 LYS HG2 H -3.225 -0.948 3.757 1.00 . A A . 9 LYS HG2 1 1 5 1552 1 1 9 LYS HG3 H -4.873 -0.712 3.166 1.00 . A A . 9 LYS HG3 1 1 5 1553 1 1 9 LYS HZ1 H -4.685 -4.399 0.148 1.00 . A A . 9 LYS HZ1 1 1 5 1554 1 1 9 LYS HZ2 H -6.230 -4.029 0.731 1.00 . A A . 9 LYS HZ2 1 1 5 1555 1 1 9 LYS HZ3 H -5.028 -4.553 1.799 1.00 . A A . 9 LYS HZ3 1 1 5 1556 1 1 9 LYS N N -1.142 1.004 1.771 1.00 . A A . 9 LYS N 1 1 5 1557 1 1 9 LYS NZ N -5.213 -3.987 0.945 1.00 . A A . 9 LYS NZ 1 1 5 1558 1 1 9 LYS O O -1.571 -1.842 -0.251 1.00 . A A . 9 LYS O 1 1 5 1559 1 1 10 LEU C C -0.059 -0.366 -2.536 1.00 . A A . 10 LEU C 1 1 5 1560 1 1 10 LEU CA C -1.493 0.043 -2.256 1.00 . A A . 10 LEU CA 1 1 5 1561 1 1 10 LEU CB C -1.863 1.268 -3.089 1.00 . A A . 10 LEU CB 1 1 5 1562 1 1 10 LEU CD1 C -3.521 0.773 -4.904 1.00 . A A . 10 LEU CD1 1 1 5 1563 1 1 10 LEU CD2 C -1.489 2.148 -5.407 1.00 . A A . 10 LEU CD2 1 1 5 1564 1 1 10 LEU CG C -2.049 0.998 -4.581 1.00 . A A . 10 LEU CG 1 1 5 1565 1 1 10 LEU H H -1.751 1.251 -0.535 1.00 . A A . 10 LEU H 1 1 5 1566 1 1 10 LEU HA H -2.138 -0.779 -2.520 1.00 . A A . 10 LEU HA 1 1 5 1567 1 1 10 LEU HB2 H -2.782 1.681 -2.699 1.00 . A A . 10 LEU HB2 1 1 5 1568 1 1 10 LEU HB3 H -1.081 2.003 -2.975 1.00 . A A . 10 LEU HB3 1 1 5 1569 1 1 10 LEU HD11 H -4.114 1.553 -4.448 1.00 . A A . 10 LEU HD11 1 1 5 1570 1 1 10 LEU HD12 H -3.831 -0.187 -4.519 1.00 . A A . 10 LEU HD12 1 1 5 1571 1 1 10 LEU HD13 H -3.661 0.792 -5.975 1.00 . A A . 10 LEU HD13 1 1 5 1572 1 1 10 LEU HD21 H -2.183 2.974 -5.392 1.00 . A A . 10 LEU HD21 1 1 5 1573 1 1 10 LEU HD22 H -1.341 1.821 -6.426 1.00 . A A . 10 LEU HD22 1 1 5 1574 1 1 10 LEU HD23 H -0.543 2.464 -4.991 1.00 . A A . 10 LEU HD23 1 1 5 1575 1 1 10 LEU HG H -1.506 0.100 -4.841 1.00 . A A . 10 LEU HG 1 1 5 1576 1 1 10 LEU N N -1.669 0.321 -0.839 1.00 . A A . 10 LEU N 1 1 5 1577 1 1 10 LEU O O 0.250 -0.891 -3.599 1.00 . A A . 10 LEU O 1 1 5 1578 1 1 11 LEU C C 2.430 -1.918 -1.367 1.00 . A A . 11 LEU C 1 1 5 1579 1 1 11 LEU CA C 2.215 -0.450 -1.654 1.00 . A A . 11 LEU CA 1 1 5 1580 1 1 11 LEU CB C 3.024 0.391 -0.658 1.00 . A A . 11 LEU CB 1 1 5 1581 1 1 11 LEU CD1 C 4.601 2.282 -0.229 1.00 . A A . 11 LEU CD1 1 1 5 1582 1 1 11 LEU CD2 C 4.071 1.629 -2.581 1.00 . A A . 11 LEU CD2 1 1 5 1583 1 1 11 LEU CG C 3.531 1.744 -1.164 1.00 . A A . 11 LEU CG 1 1 5 1584 1 1 11 LEU H H 0.475 0.301 -0.741 1.00 . A A . 11 LEU H 1 1 5 1585 1 1 11 LEU HA H 2.537 -0.247 -2.651 1.00 . A A . 11 LEU HA 1 1 5 1586 1 1 11 LEU HB2 H 2.400 0.575 0.206 1.00 . A A . 11 LEU HB2 1 1 5 1587 1 1 11 LEU HB3 H 3.879 -0.189 -0.345 1.00 . A A . 11 LEU HB3 1 1 5 1588 1 1 11 LEU HD11 H 5.294 1.490 0.017 1.00 . A A . 11 LEU HD11 1 1 5 1589 1 1 11 LEU HD12 H 4.139 2.648 0.676 1.00 . A A . 11 LEU HD12 1 1 5 1590 1 1 11 LEU HD13 H 5.133 3.088 -0.714 1.00 . A A . 11 LEU HD13 1 1 5 1591 1 1 11 LEU HD21 H 4.651 0.722 -2.671 1.00 . A A . 11 LEU HD21 1 1 5 1592 1 1 11 LEU HD22 H 4.699 2.481 -2.798 1.00 . A A . 11 LEU HD22 1 1 5 1593 1 1 11 LEU HD23 H 3.247 1.600 -3.278 1.00 . A A . 11 LEU HD23 1 1 5 1594 1 1 11 LEU HG H 2.713 2.450 -1.169 1.00 . A A . 11 LEU HG 1 1 5 1595 1 1 11 LEU N N 0.803 -0.119 -1.559 1.00 . A A . 11 LEU N 1 1 5 1596 1 1 11 LEU O O 3.018 -2.645 -2.167 1.00 . A A . 11 LEU O 1 1 5 1597 1 1 12 LYS C C 1.612 -4.655 -0.966 1.00 . A A . 12 LYS C 1 1 5 1598 1 1 12 LYS CA C 2.070 -3.741 0.177 1.00 . A A . 12 LYS CA 1 1 5 1599 1 1 12 LYS CB C 1.260 -3.972 1.470 1.00 . A A . 12 LYS CB 1 1 5 1600 1 1 12 LYS CD C -1.035 -4.749 0.759 1.00 . A A . 12 LYS CD 1 1 5 1601 1 1 12 LYS CE C -2.242 -5.306 1.497 1.00 . A A . 12 LYS CE 1 1 5 1602 1 1 12 LYS CG C 0.276 -5.134 1.429 1.00 . A A . 12 LYS CG 1 1 5 1603 1 1 12 LYS H H 1.475 -1.709 0.373 1.00 . A A . 12 LYS H 1 1 5 1604 1 1 12 LYS HA H 3.112 -3.932 0.372 1.00 . A A . 12 LYS HA 1 1 5 1605 1 1 12 LYS HB2 H 1.951 -4.155 2.277 1.00 . A A . 12 LYS HB2 1 1 5 1606 1 1 12 LYS HB3 H 0.705 -3.071 1.689 1.00 . A A . 12 LYS HB3 1 1 5 1607 1 1 12 LYS HD2 H -1.106 -3.675 0.728 1.00 . A A . 12 LYS HD2 1 1 5 1608 1 1 12 LYS HD3 H -1.036 -5.138 -0.247 1.00 . A A . 12 LYS HD3 1 1 5 1609 1 1 12 LYS HE2 H -1.915 -5.744 2.428 1.00 . A A . 12 LYS HE2 1 1 5 1610 1 1 12 LYS HE3 H -2.924 -4.498 1.700 1.00 . A A . 12 LYS HE3 1 1 5 1611 1 1 12 LYS HG2 H 0.722 -5.939 0.880 1.00 . A A . 12 LYS HG2 1 1 5 1612 1 1 12 LYS HG3 H 0.074 -5.456 2.440 1.00 . A A . 12 LYS HG3 1 1 5 1613 1 1 12 LYS HZ1 H -3.842 -6.608 1.158 1.00 . A A . 12 LYS HZ1 1 1 5 1614 1 1 12 LYS HZ2 H -2.358 -7.183 0.592 1.00 . A A . 12 LYS HZ2 1 1 5 1615 1 1 12 LYS HZ3 H -3.167 -5.969 -0.255 1.00 . A A . 12 LYS HZ3 1 1 5 1616 1 1 12 LYS N N 1.941 -2.348 -0.220 1.00 . A A . 12 LYS N 1 1 5 1617 1 1 12 LYS NZ N -2.952 -6.340 0.693 1.00 . A A . 12 LYS NZ 1 1 5 1618 1 1 12 LYS O O 2.333 -5.583 -1.387 1.00 . A A . 12 LYS O 1 1 5 1619 1 1 13 SER C C 0.531 -4.793 -3.860 1.00 . A A . 13 SER C 1 1 5 1620 1 1 13 SER CA C -0.187 -5.100 -2.569 1.00 . A A . 13 SER CA 1 1 5 1621 1 1 13 SER CB C -1.663 -4.728 -2.711 1.00 . A A . 13 SER CB 1 1 5 1622 1 1 13 SER H H -0.073 -3.587 -1.097 1.00 . A A . 13 SER H 1 1 5 1623 1 1 13 SER HA H -0.097 -6.156 -2.356 1.00 . A A . 13 SER HA 1 1 5 1624 1 1 13 SER HB2 H -1.967 -4.143 -1.856 1.00 . A A . 13 SER HB2 1 1 5 1625 1 1 13 SER HB3 H -1.794 -4.143 -3.612 1.00 . A A . 13 SER HB3 1 1 5 1626 1 1 13 SER HG H -2.722 -6.045 -3.703 1.00 . A A . 13 SER HG 1 1 5 1627 1 1 13 SER N N 0.416 -4.353 -1.472 1.00 . A A . 13 SER N 1 1 5 1628 1 1 13 SER O O 0.793 -5.689 -4.665 1.00 . A A . 13 SER O 1 1 5 1629 1 1 13 SER OG O -2.484 -5.880 -2.788 1.00 . A A . 13 SER OG 1 1 5 1630 1 1 14 LEU C C 2.563 -4.151 -5.651 1.00 . A A . 14 LEU C 1 1 5 1631 1 1 14 LEU CA C 1.559 -3.085 -5.242 1.00 . A A . 14 LEU CA 1 1 5 1632 1 1 14 LEU CB C 2.255 -1.751 -4.955 1.00 . A A . 14 LEU CB 1 1 5 1633 1 1 14 LEU CD1 C 3.942 -0.350 -6.185 1.00 . A A . 14 LEU CD1 1 1 5 1634 1 1 14 LEU CD2 C 4.629 -1.670 -4.167 1.00 . A A . 14 LEU CD2 1 1 5 1635 1 1 14 LEU CG C 3.719 -1.629 -5.388 1.00 . A A . 14 LEU CG 1 1 5 1636 1 1 14 LEU H H 0.624 -2.846 -3.361 1.00 . A A . 14 LEU H 1 1 5 1637 1 1 14 LEU HA H 0.838 -2.952 -6.035 1.00 . A A . 14 LEU HA 1 1 5 1638 1 1 14 LEU HB2 H 1.692 -0.968 -5.439 1.00 . A A . 14 LEU HB2 1 1 5 1639 1 1 14 LEU HB3 H 2.211 -1.590 -3.889 1.00 . A A . 14 LEU HB3 1 1 5 1640 1 1 14 LEU HD11 H 3.065 0.278 -6.110 1.00 . A A . 14 LEU HD11 1 1 5 1641 1 1 14 LEU HD12 H 4.120 -0.597 -7.221 1.00 . A A . 14 LEU HD12 1 1 5 1642 1 1 14 LEU HD13 H 4.797 0.178 -5.790 1.00 . A A . 14 LEU HD13 1 1 5 1643 1 1 14 LEU HD21 H 4.195 -1.074 -3.377 1.00 . A A . 14 LEU HD21 1 1 5 1644 1 1 14 LEU HD22 H 5.600 -1.275 -4.427 1.00 . A A . 14 LEU HD22 1 1 5 1645 1 1 14 LEU HD23 H 4.734 -2.690 -3.831 1.00 . A A . 14 LEU HD23 1 1 5 1646 1 1 14 LEU HG H 3.968 -2.465 -6.021 1.00 . A A . 14 LEU HG 1 1 5 1647 1 1 14 LEU N N 0.855 -3.515 -4.050 1.00 . A A . 14 LEU N 1 1 5 1648 1 1 14 LEU O O 2.535 -4.655 -6.773 1.00 . A A . 14 LEU O 1 1 5 1649 1 1 15 LYS C C 3.986 -6.899 -4.566 1.00 . A A . 15 LYS C 1 1 5 1650 1 1 15 LYS CA C 4.448 -5.500 -4.978 1.00 . A A . 15 LYS CA 1 1 5 1651 1 1 15 LYS CB C 5.755 -5.140 -4.271 1.00 . A A . 15 LYS CB 1 1 5 1652 1 1 15 LYS CD C 7.188 -7.190 -4.021 1.00 . A A . 15 LYS CD 1 1 5 1653 1 1 15 LYS CE C 6.905 -8.417 -4.872 1.00 . A A . 15 LYS CE 1 1 5 1654 1 1 15 LYS CG C 6.959 -5.903 -4.798 1.00 . A A . 15 LYS CG 1 1 5 1655 1 1 15 LYS H H 3.410 -4.056 -3.840 1.00 . A A . 15 LYS H 1 1 5 1656 1 1 15 LYS HA H 4.629 -5.507 -6.041 1.00 . A A . 15 LYS HA 1 1 5 1657 1 1 15 LYS HB2 H 5.941 -4.084 -4.401 1.00 . A A . 15 LYS HB2 1 1 5 1658 1 1 15 LYS HB3 H 5.655 -5.350 -3.217 1.00 . A A . 15 LYS HB3 1 1 5 1659 1 1 15 LYS HD2 H 8.216 -7.222 -3.694 1.00 . A A . 15 LYS HD2 1 1 5 1660 1 1 15 LYS HD3 H 6.534 -7.201 -3.161 1.00 . A A . 15 LYS HD3 1 1 5 1661 1 1 15 LYS HE2 H 6.780 -9.270 -4.222 1.00 . A A . 15 LYS HE2 1 1 5 1662 1 1 15 LYS HE3 H 5.993 -8.253 -5.428 1.00 . A A . 15 LYS HE3 1 1 5 1663 1 1 15 LYS HG2 H 6.791 -6.147 -5.838 1.00 . A A . 15 LYS HG2 1 1 5 1664 1 1 15 LYS HG3 H 7.835 -5.278 -4.710 1.00 . A A . 15 LYS HG3 1 1 5 1665 1 1 15 LYS HZ1 H 7.686 -9.350 -6.569 1.00 . A A . 15 LYS HZ1 1 1 5 1666 1 1 15 LYS HZ2 H 8.813 -9.131 -5.328 1.00 . A A . 15 LYS HZ2 1 1 5 1667 1 1 15 LYS HZ3 H 8.332 -7.814 -6.274 1.00 . A A . 15 LYS HZ3 1 1 5 1668 1 1 15 LYS N N 3.444 -4.490 -4.720 1.00 . A A . 15 LYS N 1 1 5 1669 1 1 15 LYS NZ N 8.011 -8.698 -5.827 1.00 . A A . 15 LYS NZ 1 1 5 1670 1 1 15 LYS O O 3.539 -7.678 -5.407 1.00 . A A . 15 LYS O 1 1 5 1671 1 1 16 ARG C C 2.290 -8.564 -2.217 1.00 . A A . 16 ARG C 1 1 5 1672 1 1 16 ARG CA C 3.698 -8.546 -2.796 1.00 . A A . 16 ARG CA 1 1 5 1673 1 1 16 ARG CB C 4.710 -9.079 -1.772 1.00 . A A . 16 ARG CB 1 1 5 1674 1 1 16 ARG CD C 3.906 -11.433 -2.218 1.00 . A A . 16 ARG CD 1 1 5 1675 1 1 16 ARG CG C 4.326 -10.421 -1.159 1.00 . A A . 16 ARG CG 1 1 5 1676 1 1 16 ARG CZ C 2.086 -13.077 -2.444 1.00 . A A . 16 ARG CZ 1 1 5 1677 1 1 16 ARG H H 4.448 -6.569 -2.630 1.00 . A A . 16 ARG H 1 1 5 1678 1 1 16 ARG HA H 3.708 -9.202 -3.648 1.00 . A A . 16 ARG HA 1 1 5 1679 1 1 16 ARG HB2 H 5.667 -9.194 -2.257 1.00 . A A . 16 ARG HB2 1 1 5 1680 1 1 16 ARG HB3 H 4.810 -8.359 -0.974 1.00 . A A . 16 ARG HB3 1 1 5 1681 1 1 16 ARG HD2 H 3.949 -10.964 -3.188 1.00 . A A . 16 ARG HD2 1 1 5 1682 1 1 16 ARG HD3 H 4.589 -12.267 -2.190 1.00 . A A . 16 ARG HD3 1 1 5 1683 1 1 16 ARG HE H 1.957 -11.357 -1.447 1.00 . A A . 16 ARG HE 1 1 5 1684 1 1 16 ARG HG2 H 5.174 -10.815 -0.621 1.00 . A A . 16 ARG HG2 1 1 5 1685 1 1 16 ARG HG3 H 3.504 -10.269 -0.475 1.00 . A A . 16 ARG HG3 1 1 5 1686 1 1 16 ARG HH11 H 3.772 -13.573 -3.450 1.00 . A A . 16 ARG HH11 1 1 5 1687 1 1 16 ARG HH12 H 2.482 -14.725 -3.552 1.00 . A A . 16 ARG HH12 1 1 5 1688 1 1 16 ARG HH21 H 0.280 -12.863 -1.566 1.00 . A A . 16 ARG HH21 1 1 5 1689 1 1 16 ARG HH22 H 0.492 -14.321 -2.478 1.00 . A A . 16 ARG HH22 1 1 5 1690 1 1 16 ARG N N 4.103 -7.227 -3.273 1.00 . A A . 16 ARG N 1 1 5 1691 1 1 16 ARG NE N 2.550 -11.920 -1.986 1.00 . A A . 16 ARG NE 1 1 5 1692 1 1 16 ARG NH1 N 2.842 -13.855 -3.212 1.00 . A A . 16 ARG NH1 1 1 5 1693 1 1 16 ARG NH2 N 0.852 -13.452 -2.138 1.00 . A A . 16 ARG NH2 1 1 5 1694 1 1 16 ARG O O 1.324 -8.954 -2.874 1.00 . A A . 16 ARG O 1 1 5 1695 1 1 17 LEU C C 1.337 -8.125 1.330 1.00 . A A . 17 LEU C 1 1 5 1696 1 1 17 LEU CA C 0.988 -8.089 -0.165 1.00 . A A . 17 LEU CA 1 1 5 1697 1 1 17 LEU CB C 0.036 -9.243 -0.533 1.00 . A A . 17 LEU CB 1 1 5 1698 1 1 17 LEU CD1 C -1.419 -9.364 1.521 1.00 . A A . 17 LEU CD1 1 1 5 1699 1 1 17 LEU CD2 C -1.103 -11.393 0.095 1.00 . A A . 17 LEU CD2 1 1 5 1700 1 1 17 LEU CG C -0.451 -10.125 0.629 1.00 . A A . 17 LEU CG 1 1 5 1701 1 1 17 LEU H H 3.051 -7.862 -0.523 1.00 . A A . 17 LEU H 1 1 5 1702 1 1 17 LEU HA H 0.503 -7.151 -0.385 1.00 . A A . 17 LEU HA 1 1 5 1703 1 1 17 LEU HB2 H -0.829 -8.813 -1.015 1.00 . A A . 17 LEU HB2 1 1 5 1704 1 1 17 LEU HB3 H 0.535 -9.879 -1.245 1.00 . A A . 17 LEU HB3 1 1 5 1705 1 1 17 LEU HD11 H -1.174 -9.550 2.557 1.00 . A A . 17 LEU HD11 1 1 5 1706 1 1 17 LEU HD12 H -2.428 -9.696 1.324 1.00 . A A . 17 LEU HD12 1 1 5 1707 1 1 17 LEU HD13 H -1.339 -8.310 1.317 1.00 . A A . 17 LEU HD13 1 1 5 1708 1 1 17 LEU HD21 H -0.479 -12.244 0.330 1.00 . A A . 17 LEU HD21 1 1 5 1709 1 1 17 LEU HD22 H -1.216 -11.315 -0.977 1.00 . A A . 17 LEU HD22 1 1 5 1710 1 1 17 LEU HD23 H -2.074 -11.520 0.551 1.00 . A A . 17 LEU HD23 1 1 5 1711 1 1 17 LEU HG H 0.396 -10.416 1.232 1.00 . A A . 17 LEU HG 1 1 5 1712 1 1 17 LEU N N 2.221 -8.142 -0.953 1.00 . A A . 17 LEU N 1 1 5 1713 1 1 17 LEU O O 0.556 -7.691 2.176 1.00 . A A . 17 LEU O 1 1 5 1714 1 1 18 GLY C C 4.477 -8.829 3.139 1.00 . A A . 18 GLY C 1 1 5 1715 1 1 18 GLY CA C 2.968 -8.716 3.024 1.00 . A A . 18 GLY CA 1 1 5 1716 1 1 18 GLY H H 3.109 -8.966 0.932 1.00 . A A . 18 GLY H 1 1 5 1717 1 1 18 GLY HA2 H 2.645 -7.827 3.546 1.00 . A A . 18 GLY HA2 1 1 5 1718 1 1 18 GLY HA3 H 2.517 -9.579 3.491 1.00 . A A . 18 GLY HA3 1 1 5 1719 1 1 18 GLY N N 2.526 -8.640 1.644 1.00 . A A . 18 GLY N 1 1 5 1720 1 1 18 GLY O O 5.101 -8.084 3.891 1.00 . A A . 18 GLY O 1 1 6 1721 1 1 1 ALA C C -5.027 13.435 2.706 1.00 . A A . 1 ALA C 1 1 6 1722 1 1 1 ALA CA C -4.737 14.702 1.906 1.00 . A A . 1 ALA CA 1 1 6 1723 1 1 1 ALA CB C -3.257 15.042 1.983 1.00 . A A . 1 ALA CB 1 1 6 1724 1 1 1 ALA H1 H -6.557 15.585 2.282 1.00 . A A . 1 ALA H1 1 1 6 1725 1 1 1 ALA H2 H -5.314 16.675 1.822 1.00 . A A . 1 ALA H2 1 1 6 1726 1 1 1 ALA H3 H -5.321 15.994 3.397 1.00 . A A . 1 ALA H3 1 1 6 1727 1 1 1 ALA HA H -4.988 14.525 0.871 1.00 . A A . 1 ALA HA 1 1 6 1728 1 1 1 ALA HB1 H -3.130 16.114 1.935 1.00 . A A . 1 ALA HB1 1 1 6 1729 1 1 1 ALA HB2 H -2.738 14.579 1.155 1.00 . A A . 1 ALA HB2 1 1 6 1730 1 1 1 ALA HB3 H -2.850 14.673 2.914 1.00 . A A . 1 ALA HB3 1 1 6 1731 1 1 1 ALA N N -5.556 15.842 2.396 1.00 . A A . 1 ALA N 1 1 6 1732 1 1 1 ALA O O -5.408 13.500 3.874 1.00 . A A . 1 ALA O 1 1 6 1733 1 1 2 LEU C C -4.741 9.848 1.773 1.00 . A A . 2 LEU C 1 1 6 1734 1 1 2 LEU CA C -5.076 10.998 2.715 1.00 . A A . 2 LEU CA 1 1 6 1735 1 1 2 LEU CB C -6.532 10.891 3.178 1.00 . A A . 2 LEU CB 1 1 6 1736 1 1 2 LEU CD1 C -8.782 10.682 2.090 1.00 . A A . 2 LEU CD1 1 1 6 1737 1 1 2 LEU CD2 C -7.943 12.934 2.787 1.00 . A A . 2 LEU CD2 1 1 6 1738 1 1 2 LEU CG C -7.553 11.561 2.254 1.00 . A A . 2 LEU CG 1 1 6 1739 1 1 2 LEU H H -4.532 12.302 1.137 1.00 . A A . 2 LEU H 1 1 6 1740 1 1 2 LEU HA H -4.430 10.939 3.572 1.00 . A A . 2 LEU HA 1 1 6 1741 1 1 2 LEU HB2 H -6.783 9.843 3.261 1.00 . A A . 2 LEU HB2 1 1 6 1742 1 1 2 LEU HB3 H -6.612 11.341 4.156 1.00 . A A . 2 LEU HB3 1 1 6 1743 1 1 2 LEU HD11 H -8.499 9.752 1.617 1.00 . A A . 2 LEU HD11 1 1 6 1744 1 1 2 LEU HD12 H -9.509 11.191 1.474 1.00 . A A . 2 LEU HD12 1 1 6 1745 1 1 2 LEU HD13 H -9.211 10.476 3.059 1.00 . A A . 2 LEU HD13 1 1 6 1746 1 1 2 LEU HD21 H -7.629 13.025 3.816 1.00 . A A . 2 LEU HD21 1 1 6 1747 1 1 2 LEU HD22 H -9.016 13.055 2.724 1.00 . A A . 2 LEU HD22 1 1 6 1748 1 1 2 LEU HD23 H -7.461 13.699 2.195 1.00 . A A . 2 LEU HD23 1 1 6 1749 1 1 2 LEU HG H -7.108 11.695 1.278 1.00 . A A . 2 LEU HG 1 1 6 1750 1 1 2 LEU N N -4.839 12.285 2.067 1.00 . A A . 2 LEU N 1 1 6 1751 1 1 2 LEU O O -4.254 8.796 2.187 1.00 . A A . 2 LEU O 1 1 6 1752 1 1 3 TYR C C -3.309 8.526 -0.375 1.00 . A A . 3 TYR C 1 1 6 1753 1 1 3 TYR CA C -4.731 9.030 -0.498 1.00 . A A . 3 TYR CA 1 1 6 1754 1 1 3 TYR CB C -4.990 9.567 -1.906 1.00 . A A . 3 TYR CB 1 1 6 1755 1 1 3 TYR CD1 C -7.379 9.849 -1.156 1.00 . A A . 3 TYR CD1 1 1 6 1756 1 1 3 TYR CD2 C -6.707 10.899 -3.185 1.00 . A A . 3 TYR CD2 1 1 6 1757 1 1 3 TYR CE1 C -8.653 10.342 -1.311 1.00 . A A . 3 TYR CE1 1 1 6 1758 1 1 3 TYR CE2 C -7.983 11.398 -3.350 1.00 . A A . 3 TYR CE2 1 1 6 1759 1 1 3 TYR CG C -6.385 10.116 -2.087 1.00 . A A . 3 TYR CG 1 1 6 1760 1 1 3 TYR CZ C -8.955 11.117 -2.410 1.00 . A A . 3 TYR CZ 1 1 6 1761 1 1 3 TYR H H -5.397 10.903 0.224 1.00 . A A . 3 TYR H 1 1 6 1762 1 1 3 TYR HA H -5.392 8.209 -0.300 1.00 . A A . 3 TYR HA 1 1 6 1763 1 1 3 TYR HB2 H -4.291 10.363 -2.115 1.00 . A A . 3 TYR HB2 1 1 6 1764 1 1 3 TYR HB3 H -4.848 8.770 -2.622 1.00 . A A . 3 TYR HB3 1 1 6 1765 1 1 3 TYR HD1 H -7.139 9.246 -0.295 1.00 . A A . 3 TYR HD1 1 1 6 1766 1 1 3 TYR HD2 H -5.945 11.115 -3.919 1.00 . A A . 3 TYR HD2 1 1 6 1767 1 1 3 TYR HE1 H -9.406 10.116 -0.573 1.00 . A A . 3 TYR HE1 1 1 6 1768 1 1 3 TYR HE2 H -8.216 12.006 -4.211 1.00 . A A . 3 TYR HE2 1 1 6 1769 1 1 3 TYR HH H -10.527 12.000 -1.743 1.00 . A A . 3 TYR HH 1 1 6 1770 1 1 3 TYR N N -5.006 10.052 0.499 1.00 . A A . 3 TYR N 1 1 6 1771 1 1 3 TYR O O -3.028 7.357 -0.639 1.00 . A A . 3 TYR O 1 1 6 1772 1 1 3 TYR OH O -10.228 11.615 -2.571 1.00 . A A . 3 TYR OH 1 1 6 1773 1 1 4 LYS C C -0.998 7.806 1.176 1.00 . A A . 4 LYS C 1 1 6 1774 1 1 4 LYS CA C -1.033 9.010 0.255 1.00 . A A . 4 LYS CA 1 1 6 1775 1 1 4 LYS CB C -0.213 10.192 0.799 1.00 . A A . 4 LYS CB 1 1 6 1776 1 1 4 LYS CD C -1.301 10.731 3.027 1.00 . A A . 4 LYS CD 1 1 6 1777 1 1 4 LYS CE C -1.809 12.032 2.430 1.00 . A A . 4 LYS CE 1 1 6 1778 1 1 4 LYS CG C -0.049 10.228 2.318 1.00 . A A . 4 LYS CG 1 1 6 1779 1 1 4 LYS H H -2.703 10.308 0.282 1.00 . A A . 4 LYS H 1 1 6 1780 1 1 4 LYS HA H -0.646 8.711 -0.698 1.00 . A A . 4 LYS HA 1 1 6 1781 1 1 4 LYS HB2 H 0.771 10.156 0.359 1.00 . A A . 4 LYS HB2 1 1 6 1782 1 1 4 LYS HB3 H -0.695 11.108 0.491 1.00 . A A . 4 LYS HB3 1 1 6 1783 1 1 4 LYS HD2 H -2.074 9.986 2.948 1.00 . A A . 4 LYS HD2 1 1 6 1784 1 1 4 LYS HD3 H -1.067 10.895 4.070 1.00 . A A . 4 LYS HD3 1 1 6 1785 1 1 4 LYS HE2 H -2.280 11.815 1.483 1.00 . A A . 4 LYS HE2 1 1 6 1786 1 1 4 LYS HE3 H -2.538 12.460 3.102 1.00 . A A . 4 LYS HE3 1 1 6 1787 1 1 4 LYS HG2 H 0.175 9.235 2.673 1.00 . A A . 4 LYS HG2 1 1 6 1788 1 1 4 LYS HG3 H 0.774 10.886 2.559 1.00 . A A . 4 LYS HG3 1 1 6 1789 1 1 4 LYS HZ1 H 0.101 12.783 2.824 1.00 . A A . 4 LYS HZ1 1 1 6 1790 1 1 4 LYS HZ2 H -1.036 13.974 2.438 1.00 . A A . 4 LYS HZ2 1 1 6 1791 1 1 4 LYS HZ3 H -0.398 12.988 1.220 1.00 . A A . 4 LYS HZ3 1 1 6 1792 1 1 4 LYS N N -2.417 9.400 0.062 1.00 . A A . 4 LYS N 1 1 6 1793 1 1 4 LYS NZ N -0.708 13.013 2.212 1.00 . A A . 4 LYS NZ 1 1 6 1794 1 1 4 LYS O O -0.213 6.872 1.006 1.00 . A A . 4 LYS O 1 1 6 1795 1 1 5 LYS C C -2.370 5.464 2.171 1.00 . A A . 5 LYS C 1 1 6 1796 1 1 5 LYS CA C -2.055 6.687 3.007 1.00 . A A . 5 LYS CA 1 1 6 1797 1 1 5 LYS CB C -3.172 6.973 4.008 1.00 . A A . 5 LYS CB 1 1 6 1798 1 1 5 LYS CD C -5.341 6.124 4.935 1.00 . A A . 5 LYS CD 1 1 6 1799 1 1 5 LYS CE C -5.544 5.751 6.396 1.00 . A A . 5 LYS CE 1 1 6 1800 1 1 5 LYS CG C -3.951 5.748 4.443 1.00 . A A . 5 LYS CG 1 1 6 1801 1 1 5 LYS H H -2.557 8.537 2.159 1.00 . A A . 5 LYS H 1 1 6 1802 1 1 5 LYS HA H -1.124 6.543 3.521 1.00 . A A . 5 LYS HA 1 1 6 1803 1 1 5 LYS HB2 H -2.746 7.432 4.887 1.00 . A A . 5 LYS HB2 1 1 6 1804 1 1 5 LYS HB3 H -3.868 7.664 3.553 1.00 . A A . 5 LYS HB3 1 1 6 1805 1 1 5 LYS HD2 H -5.474 7.193 4.826 1.00 . A A . 5 LYS HD2 1 1 6 1806 1 1 5 LYS HD3 H -6.075 5.608 4.334 1.00 . A A . 5 LYS HD3 1 1 6 1807 1 1 5 LYS HE2 H -6.127 4.842 6.443 1.00 . A A . 5 LYS HE2 1 1 6 1808 1 1 5 LYS HE3 H -4.578 5.582 6.849 1.00 . A A . 5 LYS HE3 1 1 6 1809 1 1 5 LYS HG2 H -4.045 5.082 3.598 1.00 . A A . 5 LYS HG2 1 1 6 1810 1 1 5 LYS HG3 H -3.412 5.254 5.236 1.00 . A A . 5 LYS HG3 1 1 6 1811 1 1 5 LYS HZ1 H -6.777 7.435 6.497 1.00 . A A . 5 LYS HZ1 1 1 6 1812 1 1 5 LYS HZ2 H -5.573 7.396 7.684 1.00 . A A . 5 LYS HZ2 1 1 6 1813 1 1 5 LYS HZ3 H -6.928 6.393 7.822 1.00 . A A . 5 LYS HZ3 1 1 6 1814 1 1 5 LYS N N -1.920 7.800 2.109 1.00 . A A . 5 LYS N 1 1 6 1815 1 1 5 LYS NZ N -6.255 6.818 7.152 1.00 . A A . 5 LYS NZ 1 1 6 1816 1 1 5 LYS O O -1.757 4.411 2.304 1.00 . A A . 5 LYS O 1 1 6 1817 1 1 6 PHE C C -2.531 3.980 -0.332 1.00 . A A . 6 PHE C 1 1 6 1818 1 1 6 PHE CA C -3.730 4.549 0.399 1.00 . A A . 6 PHE CA 1 1 6 1819 1 1 6 PHE CB C -4.775 5.008 -0.617 1.00 . A A . 6 PHE CB 1 1 6 1820 1 1 6 PHE CD1 C -6.169 5.755 1.346 1.00 . A A . 6 PHE CD1 1 1 6 1821 1 1 6 PHE CD2 C -6.866 6.355 -0.855 1.00 . A A . 6 PHE CD2 1 1 6 1822 1 1 6 PHE CE1 C -7.260 6.415 1.874 1.00 . A A . 6 PHE CE1 1 1 6 1823 1 1 6 PHE CE2 C -7.956 7.017 -0.332 1.00 . A A . 6 PHE CE2 1 1 6 1824 1 1 6 PHE CG C -5.960 5.718 -0.025 1.00 . A A . 6 PHE CG 1 1 6 1825 1 1 6 PHE CZ C -8.154 7.048 1.033 1.00 . A A . 6 PHE CZ 1 1 6 1826 1 1 6 PHE H H -3.763 6.511 1.219 1.00 . A A . 6 PHE H 1 1 6 1827 1 1 6 PHE HA H -4.148 3.774 1.015 1.00 . A A . 6 PHE HA 1 1 6 1828 1 1 6 PHE HB2 H -4.307 5.681 -1.318 1.00 . A A . 6 PHE HB2 1 1 6 1829 1 1 6 PHE HB3 H -5.141 4.143 -1.153 1.00 . A A . 6 PHE HB3 1 1 6 1830 1 1 6 PHE HD1 H -5.471 5.258 2.004 1.00 . A A . 6 PHE HD1 1 1 6 1831 1 1 6 PHE HD2 H -6.711 6.332 -1.923 1.00 . A A . 6 PHE HD2 1 1 6 1832 1 1 6 PHE HE1 H -7.413 6.438 2.943 1.00 . A A . 6 PHE HE1 1 1 6 1833 1 1 6 PHE HE2 H -8.655 7.509 -0.991 1.00 . A A . 6 PHE HE2 1 1 6 1834 1 1 6 PHE HZ H -9.003 7.567 1.442 1.00 . A A . 6 PHE HZ 1 1 6 1835 1 1 6 PHE N N -3.328 5.633 1.283 1.00 . A A . 6 PHE N 1 1 6 1836 1 1 6 PHE O O -2.521 2.806 -0.697 1.00 . A A . 6 PHE O 1 1 6 1837 1 1 7 LYS C C 0.355 3.300 -0.305 1.00 . A A . 7 LYS C 1 1 6 1838 1 1 7 LYS CA C -0.307 4.331 -1.190 1.00 . A A . 7 LYS CA 1 1 6 1839 1 1 7 LYS CB C 0.645 5.481 -1.540 1.00 . A A . 7 LYS CB 1 1 6 1840 1 1 7 LYS CD C 2.848 4.931 -0.447 1.00 . A A . 7 LYS CD 1 1 6 1841 1 1 7 LYS CE C 3.109 4.382 0.944 1.00 . A A . 7 LYS CE 1 1 6 1842 1 1 7 LYS CG C 1.639 5.847 -0.447 1.00 . A A . 7 LYS CG 1 1 6 1843 1 1 7 LYS H H -1.553 5.721 -0.191 1.00 . A A . 7 LYS H 1 1 6 1844 1 1 7 LYS HA H -0.615 3.841 -2.100 1.00 . A A . 7 LYS HA 1 1 6 1845 1 1 7 LYS HB2 H 1.203 5.205 -2.417 1.00 . A A . 7 LYS HB2 1 1 6 1846 1 1 7 LYS HB3 H 0.054 6.358 -1.764 1.00 . A A . 7 LYS HB3 1 1 6 1847 1 1 7 LYS HD2 H 2.667 4.109 -1.122 1.00 . A A . 7 LYS HD2 1 1 6 1848 1 1 7 LYS HD3 H 3.713 5.489 -0.774 1.00 . A A . 7 LYS HD3 1 1 6 1849 1 1 7 LYS HE2 H 2.225 4.540 1.551 1.00 . A A . 7 LYS HE2 1 1 6 1850 1 1 7 LYS HE3 H 3.303 3.323 0.865 1.00 . A A . 7 LYS HE3 1 1 6 1851 1 1 7 LYS HG2 H 1.970 6.863 -0.601 1.00 . A A . 7 LYS HG2 1 1 6 1852 1 1 7 LYS HG3 H 1.147 5.770 0.508 1.00 . A A . 7 LYS HG3 1 1 6 1853 1 1 7 LYS HZ1 H 3.947 5.834 2.193 1.00 . A A . 7 LYS HZ1 1 1 6 1854 1 1 7 LYS HZ2 H 4.928 5.411 0.882 1.00 . A A . 7 LYS HZ2 1 1 6 1855 1 1 7 LYS HZ3 H 4.780 4.361 2.200 1.00 . A A . 7 LYS HZ3 1 1 6 1856 1 1 7 LYS N N -1.506 4.802 -0.524 1.00 . A A . 7 LYS N 1 1 6 1857 1 1 7 LYS NZ N 4.272 5.044 1.601 1.00 . A A . 7 LYS NZ 1 1 6 1858 1 1 7 LYS O O 0.912 2.321 -0.784 1.00 . A A . 7 LYS O 1 1 6 1859 1 1 8 LYS C C 0.193 1.183 1.724 1.00 . A A . 8 LYS C 1 1 6 1860 1 1 8 LYS CA C 0.807 2.558 1.956 1.00 . A A . 8 LYS CA 1 1 6 1861 1 1 8 LYS CB C 0.574 3.030 3.400 1.00 . A A . 8 LYS CB 1 1 6 1862 1 1 8 LYS CD C -1.008 1.313 4.383 1.00 . A A . 8 LYS CD 1 1 6 1863 1 1 8 LYS CE C -1.320 1.209 5.868 1.00 . A A . 8 LYS CE 1 1 6 1864 1 1 8 LYS CG C -0.824 2.757 3.953 1.00 . A A . 8 LYS CG 1 1 6 1865 1 1 8 LYS H H -0.231 4.312 1.324 1.00 . A A . 8 LYS H 1 1 6 1866 1 1 8 LYS HA H 1.858 2.491 1.774 1.00 . A A . 8 LYS HA 1 1 6 1867 1 1 8 LYS HB2 H 1.290 2.543 4.041 1.00 . A A . 8 LYS HB2 1 1 6 1868 1 1 8 LYS HB3 H 0.743 4.098 3.436 1.00 . A A . 8 LYS HB3 1 1 6 1869 1 1 8 LYS HD2 H -1.830 0.891 3.821 1.00 . A A . 8 LYS HD2 1 1 6 1870 1 1 8 LYS HD3 H -0.102 0.763 4.171 1.00 . A A . 8 LYS HD3 1 1 6 1871 1 1 8 LYS HE2 H -1.075 0.213 6.206 1.00 . A A . 8 LYS HE2 1 1 6 1872 1 1 8 LYS HE3 H -0.715 1.928 6.401 1.00 . A A . 8 LYS HE3 1 1 6 1873 1 1 8 LYS HG2 H -0.990 3.396 4.805 1.00 . A A . 8 LYS HG2 1 1 6 1874 1 1 8 LYS HG3 H -1.550 2.982 3.193 1.00 . A A . 8 LYS HG3 1 1 6 1875 1 1 8 LYS HZ1 H -3.293 0.586 6.165 1.00 . A A . 8 LYS HZ1 1 1 6 1876 1 1 8 LYS HZ2 H -3.157 2.098 5.420 1.00 . A A . 8 LYS HZ2 1 1 6 1877 1 1 8 LYS HZ3 H -2.858 1.944 7.079 1.00 . A A . 8 LYS HZ3 1 1 6 1878 1 1 8 LYS N N 0.251 3.510 1.001 1.00 . A A . 8 LYS N 1 1 6 1879 1 1 8 LYS NZ N -2.757 1.478 6.153 1.00 . A A . 8 LYS NZ 1 1 6 1880 1 1 8 LYS O O 0.890 0.164 1.662 1.00 . A A . 8 LYS O 1 1 6 1881 1 1 9 LYS C C -1.727 -0.449 -0.154 1.00 . A A . 9 LYS C 1 1 6 1882 1 1 9 LYS CA C -1.852 -0.058 1.309 1.00 . A A . 9 LYS CA 1 1 6 1883 1 1 9 LYS CB C -3.326 0.095 1.691 1.00 . A A . 9 LYS CB 1 1 6 1884 1 1 9 LYS CD C -5.340 -1.407 1.492 1.00 . A A . 9 LYS CD 1 1 6 1885 1 1 9 LYS CE C -5.331 -2.572 0.515 1.00 . A A . 9 LYS CE 1 1 6 1886 1 1 9 LYS CG C -3.976 -1.208 2.137 1.00 . A A . 9 LYS CG 1 1 6 1887 1 1 9 LYS H H -1.601 2.029 1.597 1.00 . A A . 9 LYS H 1 1 6 1888 1 1 9 LYS HA H -1.408 -0.833 1.910 1.00 . A A . 9 LYS HA 1 1 6 1889 1 1 9 LYS HB2 H -3.405 0.807 2.498 1.00 . A A . 9 LYS HB2 1 1 6 1890 1 1 9 LYS HB3 H -3.872 0.472 0.837 1.00 . A A . 9 LYS HB3 1 1 6 1891 1 1 9 LYS HD2 H -6.067 -1.606 2.265 1.00 . A A . 9 LYS HD2 1 1 6 1892 1 1 9 LYS HD3 H -5.615 -0.507 0.962 1.00 . A A . 9 LYS HD3 1 1 6 1893 1 1 9 LYS HE2 H -6.024 -2.361 -0.285 1.00 . A A . 9 LYS HE2 1 1 6 1894 1 1 9 LYS HE3 H -4.335 -2.677 0.109 1.00 . A A . 9 LYS HE3 1 1 6 1895 1 1 9 LYS HG2 H -3.335 -2.030 1.861 1.00 . A A . 9 LYS HG2 1 1 6 1896 1 1 9 LYS HG3 H -4.096 -1.188 3.210 1.00 . A A . 9 LYS HG3 1 1 6 1897 1 1 9 LYS HZ1 H -5.574 -3.787 2.197 1.00 . A A . 9 LYS HZ1 1 1 6 1898 1 1 9 LYS HZ2 H -5.148 -4.633 0.798 1.00 . A A . 9 LYS HZ2 1 1 6 1899 1 1 9 LYS HZ3 H -6.727 -4.055 0.988 1.00 . A A . 9 LYS HZ3 1 1 6 1900 1 1 9 LYS N N -1.119 1.176 1.563 1.00 . A A . 9 LYS N 1 1 6 1901 1 1 9 LYS NZ N -5.723 -3.852 1.171 1.00 . A A . 9 LYS NZ 1 1 6 1902 1 1 9 LYS O O -1.850 -1.619 -0.513 1.00 . A A . 9 LYS O 1 1 6 1903 1 1 10 LEU C C 0.109 -0.200 -2.700 1.00 . A A . 10 LEU C 1 1 6 1904 1 1 10 LEU CA C -1.299 0.277 -2.412 1.00 . A A . 10 LEU CA 1 1 6 1905 1 1 10 LEU CB C -1.606 1.528 -3.229 1.00 . A A . 10 LEU CB 1 1 6 1906 1 1 10 LEU CD1 C -3.439 1.218 -4.903 1.00 . A A . 10 LEU CD1 1 1 6 1907 1 1 10 LEU CD2 C -1.292 2.307 -5.591 1.00 . A A . 10 LEU CD2 1 1 6 1908 1 1 10 LEU CG C -1.932 1.259 -4.694 1.00 . A A . 10 LEU CG 1 1 6 1909 1 1 10 LEU H H -1.357 1.450 -0.658 1.00 . A A . 10 LEU H 1 1 6 1910 1 1 10 LEU HA H -1.984 -0.507 -2.688 1.00 . A A . 10 LEU HA 1 1 6 1911 1 1 10 LEU HB2 H -2.448 2.034 -2.777 1.00 . A A . 10 LEU HB2 1 1 6 1912 1 1 10 LEU HB3 H -0.747 2.183 -3.187 1.00 . A A . 10 LEU HB3 1 1 6 1913 1 1 10 LEU HD11 H -3.798 0.215 -4.728 1.00 . A A . 10 LEU HD11 1 1 6 1914 1 1 10 LEU HD12 H -3.670 1.513 -5.917 1.00 . A A . 10 LEU HD12 1 1 6 1915 1 1 10 LEU HD13 H -3.917 1.897 -4.212 1.00 . A A . 10 LEU HD13 1 1 6 1916 1 1 10 LEU HD21 H -1.998 3.104 -5.776 1.00 . A A . 10 LEU HD21 1 1 6 1917 1 1 10 LEU HD22 H -1.009 1.851 -6.529 1.00 . A A . 10 LEU HD22 1 1 6 1918 1 1 10 LEU HD23 H -0.414 2.708 -5.106 1.00 . A A . 10 LEU HD23 1 1 6 1919 1 1 10 LEU HG H -1.530 0.293 -4.965 1.00 . A A . 10 LEU HG 1 1 6 1920 1 1 10 LEU N N -1.461 0.535 -0.997 1.00 . A A . 10 LEU N 1 1 6 1921 1 1 10 LEU O O 0.363 -0.802 -3.733 1.00 . A A . 10 LEU O 1 1 6 1922 1 1 11 LEU C C 2.537 -1.827 -1.600 1.00 . A A . 11 LEU C 1 1 6 1923 1 1 11 LEU CA C 2.403 -0.350 -1.914 1.00 . A A . 11 LEU CA 1 1 6 1924 1 1 11 LEU CB C 3.328 0.495 -1.021 1.00 . A A . 11 LEU CB 1 1 6 1925 1 1 11 LEU CD1 C 4.816 -1.144 0.158 1.00 . A A . 11 LEU CD1 1 1 6 1926 1 1 11 LEU CD2 C 4.133 0.965 1.306 1.00 . A A . 11 LEU CD2 1 1 6 1927 1 1 11 LEU CG C 3.705 -0.120 0.331 1.00 . A A . 11 LEU CG 1 1 6 1928 1 1 11 LEU H H 0.738 0.541 -0.960 1.00 . A A . 11 LEU H 1 1 6 1929 1 1 11 LEU HA H 2.674 -0.203 -2.942 1.00 . A A . 11 LEU HA 1 1 6 1930 1 1 11 LEU HB2 H 4.239 0.684 -1.567 1.00 . A A . 11 LEU HB2 1 1 6 1931 1 1 11 LEU HB3 H 2.842 1.439 -0.835 1.00 . A A . 11 LEU HB3 1 1 6 1932 1 1 11 LEU HD11 H 5.503 -1.075 0.988 1.00 . A A . 11 LEU HD11 1 1 6 1933 1 1 11 LEU HD12 H 5.344 -0.947 -0.764 1.00 . A A . 11 LEU HD12 1 1 6 1934 1 1 11 LEU HD13 H 4.390 -2.136 0.123 1.00 . A A . 11 LEU HD13 1 1 6 1935 1 1 11 LEU HD21 H 4.520 1.810 0.756 1.00 . A A . 11 LEU HD21 1 1 6 1936 1 1 11 LEU HD22 H 4.902 0.579 1.959 1.00 . A A . 11 LEU HD22 1 1 6 1937 1 1 11 LEU HD23 H 3.284 1.277 1.894 1.00 . A A . 11 LEU HD23 1 1 6 1938 1 1 11 LEU HG H 2.843 -0.623 0.747 1.00 . A A . 11 LEU HG 1 1 6 1939 1 1 11 LEU N N 1.015 0.064 -1.769 1.00 . A A . 11 LEU N 1 1 6 1940 1 1 11 LEU O O 3.225 -2.566 -2.305 1.00 . A A . 11 LEU O 1 1 6 1941 1 1 12 LYS C C 1.320 -4.482 -1.342 1.00 . A A . 12 LYS C 1 1 6 1942 1 1 12 LYS CA C 1.872 -3.664 -0.179 1.00 . A A . 12 LYS CA 1 1 6 1943 1 1 12 LYS CB C 1.076 -3.877 1.137 1.00 . A A . 12 LYS CB 1 1 6 1944 1 1 12 LYS CD C -1.449 -3.826 1.350 1.00 . A A . 12 LYS CD 1 1 6 1945 1 1 12 LYS CE C -2.595 -4.682 1.864 1.00 . A A . 12 LYS CE 1 1 6 1946 1 1 12 LYS CG C -0.230 -4.674 1.025 1.00 . A A . 12 LYS CG 1 1 6 1947 1 1 12 LYS H H 1.301 -1.618 -0.044 1.00 . A A . 12 LYS H 1 1 6 1948 1 1 12 LYS HA H 2.902 -3.944 -0.021 1.00 . A A . 12 LYS HA 1 1 6 1949 1 1 12 LYS HB2 H 1.713 -4.395 1.837 1.00 . A A . 12 LYS HB2 1 1 6 1950 1 1 12 LYS HB3 H 0.837 -2.906 1.550 1.00 . A A . 12 LYS HB3 1 1 6 1951 1 1 12 LYS HD2 H -1.186 -3.100 2.105 1.00 . A A . 12 LYS HD2 1 1 6 1952 1 1 12 LYS HD3 H -1.768 -3.320 0.455 1.00 . A A . 12 LYS HD3 1 1 6 1953 1 1 12 LYS HE2 H -2.288 -5.158 2.784 1.00 . A A . 12 LYS HE2 1 1 6 1954 1 1 12 LYS HE3 H -3.448 -4.046 2.056 1.00 . A A . 12 LYS HE3 1 1 6 1955 1 1 12 LYS HG2 H -0.337 -5.058 0.029 1.00 . A A . 12 LYS HG2 1 1 6 1956 1 1 12 LYS HG3 H -0.194 -5.496 1.720 1.00 . A A . 12 LYS HG3 1 1 6 1957 1 1 12 LYS HZ1 H -3.274 -5.291 -0.015 1.00 . A A . 12 LYS HZ1 1 1 6 1958 1 1 12 LYS HZ2 H -3.773 -6.295 1.251 1.00 . A A . 12 LYS HZ2 1 1 6 1959 1 1 12 LYS HZ3 H -2.177 -6.363 0.698 1.00 . A A . 12 LYS HZ3 1 1 6 1960 1 1 12 LYS N N 1.851 -2.257 -0.555 1.00 . A A . 12 LYS N 1 1 6 1961 1 1 12 LYS NZ N -2.982 -5.731 0.881 1.00 . A A . 12 LYS NZ 1 1 6 1962 1 1 12 LYS O O 2.005 -5.370 -1.899 1.00 . A A . 12 LYS O 1 1 6 1963 1 1 13 SER C C 0.134 -4.513 -4.125 1.00 . A A . 13 SER C 1 1 6 1964 1 1 13 SER CA C -0.606 -4.761 -2.832 1.00 . A A . 13 SER CA 1 1 6 1965 1 1 13 SER CB C -2.027 -4.210 -2.950 1.00 . A A . 13 SER CB 1 1 6 1966 1 1 13 SER H H -0.358 -3.391 -1.248 1.00 . A A . 13 SER H 1 1 6 1967 1 1 13 SER HA H -0.649 -5.823 -2.645 1.00 . A A . 13 SER HA 1 1 6 1968 1 1 13 SER HB2 H -2.217 -3.540 -2.126 1.00 . A A . 13 SER HB2 1 1 6 1969 1 1 13 SER HB3 H -2.123 -3.668 -3.882 1.00 . A A . 13 SER HB3 1 1 6 1970 1 1 13 SER HG H -3.248 -5.467 -3.822 1.00 . A A . 13 SER HG 1 1 6 1971 1 1 13 SER N N 0.088 -4.128 -1.724 1.00 . A A . 13 SER N 1 1 6 1972 1 1 13 SER O O 0.292 -5.421 -4.941 1.00 . A A . 13 SER O 1 1 6 1973 1 1 13 SER OG O -2.985 -5.252 -2.924 1.00 . A A . 13 SER OG 1 1 6 1974 1 1 14 LEU C C 2.209 -4.074 -5.935 1.00 . A A . 14 LEU C 1 1 6 1975 1 1 14 LEU CA C 1.335 -2.911 -5.505 1.00 . A A . 14 LEU CA 1 1 6 1976 1 1 14 LEU CB C 2.203 -1.675 -5.248 1.00 . A A . 14 LEU CB 1 1 6 1977 1 1 14 LEU CD1 C 3.424 -0.159 -6.837 1.00 . A A . 14 LEU CD1 1 1 6 1978 1 1 14 LEU CD2 C 4.713 -1.737 -5.375 1.00 . A A . 14 LEU CD2 1 1 6 1979 1 1 14 LEU CG C 3.424 -1.524 -6.161 1.00 . A A . 14 LEU CG 1 1 6 1980 1 1 14 LEU H H 0.440 -2.591 -3.612 1.00 . A A . 14 LEU H 1 1 6 1981 1 1 14 LEU HA H 0.623 -2.692 -6.289 1.00 . A A . 14 LEU HA 1 1 6 1982 1 1 14 LEU HB2 H 1.583 -0.800 -5.368 1.00 . A A . 14 LEU HB2 1 1 6 1983 1 1 14 LEU HB3 H 2.545 -1.716 -4.225 1.00 . A A . 14 LEU HB3 1 1 6 1984 1 1 14 LEU HD11 H 3.988 0.540 -6.237 1.00 . A A . 14 LEU HD11 1 1 6 1985 1 1 14 LEU HD12 H 2.408 0.191 -6.937 1.00 . A A . 14 LEU HD12 1 1 6 1986 1 1 14 LEU HD13 H 3.874 -0.241 -7.816 1.00 . A A . 14 LEU HD13 1 1 6 1987 1 1 14 LEU HD21 H 4.483 -2.176 -4.416 1.00 . A A . 14 LEU HD21 1 1 6 1988 1 1 14 LEU HD22 H 5.207 -0.788 -5.229 1.00 . A A . 14 LEU HD22 1 1 6 1989 1 1 14 LEU HD23 H 5.364 -2.401 -5.927 1.00 . A A . 14 LEU HD23 1 1 6 1990 1 1 14 LEU HG H 3.374 -2.279 -6.933 1.00 . A A . 14 LEU HG 1 1 6 1991 1 1 14 LEU N N 0.596 -3.273 -4.305 1.00 . A A . 14 LEU N 1 1 6 1992 1 1 14 LEU O O 2.020 -4.651 -7.006 1.00 . A A . 14 LEU O 1 1 6 1993 1 1 15 LYS C C 3.555 -6.845 -4.829 1.00 . A A . 15 LYS C 1 1 6 1994 1 1 15 LYS CA C 4.061 -5.508 -5.383 1.00 . A A . 15 LYS CA 1 1 6 1995 1 1 15 LYS CB C 5.467 -5.208 -4.851 1.00 . A A . 15 LYS CB 1 1 6 1996 1 1 15 LYS CD C 7.272 -6.918 -4.461 1.00 . A A . 15 LYS CD 1 1 6 1997 1 1 15 LYS CE C 7.788 -8.210 -5.078 1.00 . A A . 15 LYS CE 1 1 6 1998 1 1 15 LYS CG C 6.550 -6.062 -5.490 1.00 . A A . 15 LYS CG 1 1 6 1999 1 1 15 LYS H H 3.269 -3.919 -4.244 1.00 . A A . 15 LYS H 1 1 6 2000 1 1 15 LYS HA H 4.117 -5.588 -6.458 1.00 . A A . 15 LYS HA 1 1 6 2001 1 1 15 LYS HB2 H 5.698 -4.170 -5.047 1.00 . A A . 15 LYS HB2 1 1 6 2002 1 1 15 LYS HB3 H 5.485 -5.376 -3.786 1.00 . A A . 15 LYS HB3 1 1 6 2003 1 1 15 LYS HD2 H 8.107 -6.361 -4.065 1.00 . A A . 15 LYS HD2 1 1 6 2004 1 1 15 LYS HD3 H 6.586 -7.159 -3.663 1.00 . A A . 15 LYS HD3 1 1 6 2005 1 1 15 LYS HE2 H 6.974 -8.918 -5.133 1.00 . A A . 15 LYS HE2 1 1 6 2006 1 1 15 LYS HE3 H 8.149 -8.000 -6.074 1.00 . A A . 15 LYS HE3 1 1 6 2007 1 1 15 LYS HG2 H 6.095 -6.710 -6.224 1.00 . A A . 15 LYS HG2 1 1 6 2008 1 1 15 LYS HG3 H 7.266 -5.415 -5.974 1.00 . A A . 15 LYS HG3 1 1 6 2009 1 1 15 LYS HZ1 H 8.508 -9.448 -3.558 1.00 . A A . 15 LYS HZ1 1 1 6 2010 1 1 15 LYS HZ2 H 9.433 -8.054 -3.801 1.00 . A A . 15 LYS HZ2 1 1 6 2011 1 1 15 LYS HZ3 H 9.537 -9.340 -4.896 1.00 . A A . 15 LYS HZ3 1 1 6 2012 1 1 15 LYS N N 3.168 -4.414 -5.085 1.00 . A A . 15 LYS N 1 1 6 2013 1 1 15 LYS NZ N 8.894 -8.805 -4.277 1.00 . A A . 15 LYS NZ 1 1 6 2014 1 1 15 LYS O O 2.961 -7.636 -5.562 1.00 . A A . 15 LYS O 1 1 6 2015 1 1 16 ARG C C 2.056 -8.241 -2.162 1.00 . A A . 16 ARG C 1 1 6 2016 1 1 16 ARG CA C 3.370 -8.357 -2.923 1.00 . A A . 16 ARG CA 1 1 6 2017 1 1 16 ARG CB C 4.477 -8.924 -2.026 1.00 . A A . 16 ARG CB 1 1 6 2018 1 1 16 ARG CD C 3.675 -11.275 -2.440 1.00 . A A . 16 ARG CD 1 1 6 2019 1 1 16 ARG CG C 4.881 -10.344 -2.397 1.00 . A A . 16 ARG CG 1 1 6 2020 1 1 16 ARG CZ C 3.463 -12.999 -0.683 1.00 . A A . 16 ARG CZ 1 1 6 2021 1 1 16 ARG H H 4.254 -6.434 -2.984 1.00 . A A . 16 ARG H 1 1 6 2022 1 1 16 ARG HA H 3.213 -9.055 -3.726 1.00 . A A . 16 ARG HA 1 1 6 2023 1 1 16 ARG HB2 H 5.348 -8.290 -2.103 1.00 . A A . 16 ARG HB2 1 1 6 2024 1 1 16 ARG HB3 H 4.137 -8.927 -1.001 1.00 . A A . 16 ARG HB3 1 1 6 2025 1 1 16 ARG HD2 H 2.838 -10.743 -2.868 1.00 . A A . 16 ARG HD2 1 1 6 2026 1 1 16 ARG HD3 H 3.912 -12.123 -3.062 1.00 . A A . 16 ARG HD3 1 1 6 2027 1 1 16 ARG HE H 2.897 -11.092 -0.498 1.00 . A A . 16 ARG HE 1 1 6 2028 1 1 16 ARG HG2 H 5.350 -10.332 -3.370 1.00 . A A . 16 ARG HG2 1 1 6 2029 1 1 16 ARG HG3 H 5.582 -10.712 -1.662 1.00 . A A . 16 ARG HG3 1 1 6 2030 1 1 16 ARG HH11 H 4.297 -13.670 -2.398 1.00 . A A . 16 ARG HH11 1 1 6 2031 1 1 16 ARG HH12 H 4.128 -14.850 -1.146 1.00 . A A . 16 ARG HH12 1 1 6 2032 1 1 16 ARG HH21 H 2.671 -12.648 1.145 1.00 . A A . 16 ARG HH21 1 1 6 2033 1 1 16 ARG HH22 H 3.205 -14.273 0.868 1.00 . A A . 16 ARG HH22 1 1 6 2034 1 1 16 ARG N N 3.800 -7.105 -3.538 1.00 . A A . 16 ARG N 1 1 6 2035 1 1 16 ARG NE N 3.297 -11.746 -1.109 1.00 . A A . 16 ARG NE 1 1 6 2036 1 1 16 ARG NH1 N 4.007 -13.914 -1.474 1.00 . A A . 16 ARG NH1 1 1 6 2037 1 1 16 ARG NH2 N 3.082 -13.334 0.543 1.00 . A A . 16 ARG NH2 1 1 6 2038 1 1 16 ARG O O 0.988 -8.606 -2.656 1.00 . A A . 16 ARG O 1 1 6 2039 1 1 17 LEU C C 1.608 -7.445 1.431 1.00 . A A . 17 LEU C 1 1 6 2040 1 1 17 LEU CA C 1.069 -7.561 -0.001 1.00 . A A . 17 LEU CA 1 1 6 2041 1 1 17 LEU CB C 0.056 -8.719 -0.105 1.00 . A A . 17 LEU CB 1 1 6 2042 1 1 17 LEU CD1 C -1.078 -8.627 2.139 1.00 . A A . 17 LEU CD1 1 1 6 2043 1 1 17 LEU CD2 C -0.942 -10.797 0.904 1.00 . A A . 17 LEU CD2 1 1 6 2044 1 1 17 LEU CG C -0.240 -9.479 1.199 1.00 . A A . 17 LEU CG 1 1 6 2045 1 1 17 LEU H H 3.079 -7.492 -0.633 1.00 . A A . 17 LEU H 1 1 6 2046 1 1 17 LEU HA H 0.580 -6.641 -0.257 1.00 . A A . 17 LEU HA 1 1 6 2047 1 1 17 LEU HB2 H -0.874 -8.313 -0.475 1.00 . A A . 17 LEU HB2 1 1 6 2048 1 1 17 LEU HB3 H 0.426 -9.430 -0.826 1.00 . A A . 17 LEU HB3 1 1 6 2049 1 1 17 LEU HD11 H -1.120 -7.614 1.766 1.00 . A A . 17 LEU HD11 1 1 6 2050 1 1 17 LEU HD12 H -0.633 -8.630 3.123 1.00 . A A . 17 LEU HD12 1 1 6 2051 1 1 17 LEU HD13 H -2.079 -9.030 2.196 1.00 . A A . 17 LEU HD13 1 1 6 2052 1 1 17 LEU HD21 H -0.795 -11.477 1.731 1.00 . A A . 17 LEU HD21 1 1 6 2053 1 1 17 LEU HD22 H -0.534 -11.230 0.003 1.00 . A A . 17 LEU HD22 1 1 6 2054 1 1 17 LEU HD23 H -2.000 -10.618 0.769 1.00 . A A . 17 LEU HD23 1 1 6 2055 1 1 17 LEU HG H 0.694 -9.703 1.696 1.00 . A A . 17 LEU HG 1 1 6 2056 1 1 17 LEU N N 2.183 -7.741 -0.932 1.00 . A A . 17 LEU N 1 1 6 2057 1 1 17 LEU O O 0.970 -6.863 2.306 1.00 . A A . 17 LEU O 1 1 6 2058 1 1 18 GLY C C 4.916 -8.071 2.901 1.00 . A A . 18 GLY C 1 1 6 2059 1 1 18 GLY CA C 3.405 -7.960 2.971 1.00 . A A . 18 GLY CA 1 1 6 2060 1 1 18 GLY H H 3.253 -8.459 0.924 1.00 . A A . 18 GLY H 1 1 6 2061 1 1 18 GLY HA2 H 3.144 -7.025 3.446 1.00 . A A . 18 GLY HA2 1 1 6 2062 1 1 18 GLY HA3 H 3.022 -8.775 3.567 1.00 . A A . 18 GLY HA3 1 1 6 2063 1 1 18 GLY N N 2.791 -8.008 1.657 1.00 . A A . 18 GLY N 1 1 6 2064 1 1 18 GLY O O 5.627 -7.264 3.495 1.00 . A A . 18 GLY O 1 1 7 2065 1 1 1 ALA C C -4.698 13.770 2.558 1.00 . A A . 1 ALA C 1 1 7 2066 1 1 1 ALA CA C -4.516 15.005 1.686 1.00 . A A . 1 ALA CA 1 1 7 2067 1 1 1 ALA CB C -3.975 16.160 2.517 1.00 . A A . 1 ALA CB 1 1 7 2068 1 1 1 ALA H1 H -6.339 15.960 1.715 1.00 . A A . 1 ALA H1 1 1 7 2069 1 1 1 ALA H2 H -6.301 14.514 0.791 1.00 . A A . 1 ALA H2 1 1 7 2070 1 1 1 ALA H3 H -5.566 15.941 0.185 1.00 . A A . 1 ALA H3 1 1 7 2071 1 1 1 ALA HA H -3.796 14.783 0.912 1.00 . A A . 1 ALA HA 1 1 7 2072 1 1 1 ALA HB1 H -4.788 16.812 2.799 1.00 . A A . 1 ALA HB1 1 1 7 2073 1 1 1 ALA HB2 H -3.254 16.714 1.935 1.00 . A A . 1 ALA HB2 1 1 7 2074 1 1 1 ALA HB3 H -3.500 15.771 3.404 1.00 . A A . 1 ALA HB3 1 1 7 2075 1 1 1 ALA N N -5.796 15.389 1.035 1.00 . A A . 1 ALA N 1 1 7 2076 1 1 1 ALA O O -4.903 13.876 3.767 1.00 . A A . 1 ALA O 1 1 7 2077 1 1 2 LEU C C -4.514 10.144 1.761 1.00 . A A . 2 LEU C 1 1 7 2078 1 1 2 LEU CA C -4.774 11.346 2.664 1.00 . A A . 2 LEU CA 1 1 7 2079 1 1 2 LEU CB C -6.172 11.254 3.275 1.00 . A A . 2 LEU CB 1 1 7 2080 1 1 2 LEU CD1 C -6.134 10.653 5.707 1.00 . A A . 2 LEU CD1 1 1 7 2081 1 1 2 LEU CD2 C -7.725 9.502 4.157 1.00 . A A . 2 LEU CD2 1 1 7 2082 1 1 2 LEU CG C -6.349 10.132 4.294 1.00 . A A . 2 LEU CG 1 1 7 2083 1 1 2 LEU H H -4.455 12.579 0.973 1.00 . A A . 2 LEU H 1 1 7 2084 1 1 2 LEU HA H -4.049 11.338 3.454 1.00 . A A . 2 LEU HA 1 1 7 2085 1 1 2 LEU HB2 H -6.394 12.194 3.760 1.00 . A A . 2 LEU HB2 1 1 7 2086 1 1 2 LEU HB3 H -6.884 11.102 2.477 1.00 . A A . 2 LEU HB3 1 1 7 2087 1 1 2 LEU HD11 H -6.573 9.967 6.414 1.00 . A A . 2 LEU HD11 1 1 7 2088 1 1 2 LEU HD12 H -6.601 11.623 5.809 1.00 . A A . 2 LEU HD12 1 1 7 2089 1 1 2 LEU HD13 H -5.074 10.741 5.902 1.00 . A A . 2 LEU HD13 1 1 7 2090 1 1 2 LEU HD21 H -8.434 10.050 4.757 1.00 . A A . 2 LEU HD21 1 1 7 2091 1 1 2 LEU HD22 H -7.686 8.476 4.493 1.00 . A A . 2 LEU HD22 1 1 7 2092 1 1 2 LEU HD23 H -8.033 9.530 3.123 1.00 . A A . 2 LEU HD23 1 1 7 2093 1 1 2 LEU HG H -5.608 9.369 4.105 1.00 . A A . 2 LEU HG 1 1 7 2094 1 1 2 LEU N N -4.621 12.599 1.938 1.00 . A A . 2 LEU N 1 1 7 2095 1 1 2 LEU O O -4.022 9.104 2.205 1.00 . A A . 2 LEU O 1 1 7 2096 1 1 3 TYR C C -3.228 8.664 -0.376 1.00 . A A . 3 TYR C 1 1 7 2097 1 1 3 TYR CA C -4.646 9.199 -0.456 1.00 . A A . 3 TYR CA 1 1 7 2098 1 1 3 TYR CB C -4.968 9.655 -1.879 1.00 . A A . 3 TYR CB 1 1 7 2099 1 1 3 TYR CD1 C -7.281 10.207 -1.020 1.00 . A A . 3 TYR CD1 1 1 7 2100 1 1 3 TYR CD2 C -6.622 11.092 -3.132 1.00 . A A . 3 TYR CD2 1 1 7 2101 1 1 3 TYR CE1 C -8.511 10.818 -1.141 1.00 . A A . 3 TYR CE1 1 1 7 2102 1 1 3 TYR CE2 C -7.851 11.708 -3.260 1.00 . A A . 3 TYR CE2 1 1 7 2103 1 1 3 TYR CG C -6.315 10.331 -2.013 1.00 . A A . 3 TYR CG 1 1 7 2104 1 1 3 TYR CZ C -8.792 11.568 -2.263 1.00 . A A . 3 TYR CZ 1 1 7 2105 1 1 3 TYR H H -5.242 11.123 0.190 1.00 . A A . 3 TYR H 1 1 7 2106 1 1 3 TYR HA H -5.314 8.406 -0.176 1.00 . A A . 3 TYR HA 1 1 7 2107 1 1 3 TYR HB2 H -4.211 10.353 -2.206 1.00 . A A . 3 TYR HB2 1 1 7 2108 1 1 3 TYR HB3 H -4.961 8.795 -2.534 1.00 . A A . 3 TYR HB3 1 1 7 2109 1 1 3 TYR HD1 H -7.056 9.621 -0.142 1.00 . A A . 3 TYR HD1 1 1 7 2110 1 1 3 TYR HD2 H -5.883 11.199 -3.911 1.00 . A A . 3 TYR HD2 1 1 7 2111 1 1 3 TYR HE1 H -9.243 10.706 -0.357 1.00 . A A . 3 TYR HE1 1 1 7 2112 1 1 3 TYR HE2 H -8.069 12.296 -4.139 1.00 . A A . 3 TYR HE2 1 1 7 2113 1 1 3 TYR HH H -10.309 12.507 -1.534 1.00 . A A . 3 TYR HH 1 1 7 2114 1 1 3 TYR N N -4.848 10.283 0.493 1.00 . A A . 3 TYR N 1 1 7 2115 1 1 3 TYR O O -2.985 7.488 -0.649 1.00 . A A . 3 TYR O 1 1 7 2116 1 1 3 TYR OH O -10.021 12.181 -2.390 1.00 . A A . 3 TYR OH 1 1 7 2117 1 1 4 LYS C C -0.904 7.865 1.092 1.00 . A A . 4 LYS C 1 1 7 2118 1 1 4 LYS CA C -0.919 9.077 0.184 1.00 . A A . 4 LYS CA 1 1 7 2119 1 1 4 LYS CB C -0.039 10.216 0.722 1.00 . A A . 4 LYS CB 1 1 7 2120 1 1 4 LYS CD C -1.288 10.726 2.848 1.00 . A A . 4 LYS CD 1 1 7 2121 1 1 4 LYS CE C -1.307 12.210 3.165 1.00 . A A . 4 LYS CE 1 1 7 2122 1 1 4 LYS CG C 0.040 10.298 2.241 1.00 . A A . 4 LYS CG 1 1 7 2123 1 1 4 LYS H H -2.551 10.429 0.271 1.00 . A A . 4 LYS H 1 1 7 2124 1 1 4 LYS HA H -0.570 8.775 -0.783 1.00 . A A . 4 LYS HA 1 1 7 2125 1 1 4 LYS HB2 H 0.963 10.088 0.340 1.00 . A A . 4 LYS HB2 1 1 7 2126 1 1 4 LYS HB3 H -0.436 11.153 0.355 1.00 . A A . 4 LYS HB3 1 1 7 2127 1 1 4 LYS HD2 H -2.077 10.514 2.144 1.00 . A A . 4 LYS HD2 1 1 7 2128 1 1 4 LYS HD3 H -1.454 10.169 3.757 1.00 . A A . 4 LYS HD3 1 1 7 2129 1 1 4 LYS HE2 H -2.332 12.515 3.319 1.00 . A A . 4 LYS HE2 1 1 7 2130 1 1 4 LYS HE3 H -0.742 12.380 4.070 1.00 . A A . 4 LYS HE3 1 1 7 2131 1 1 4 LYS HG2 H 0.309 9.327 2.633 1.00 . A A . 4 LYS HG2 1 1 7 2132 1 1 4 LYS HG3 H 0.798 11.017 2.513 1.00 . A A . 4 LYS HG3 1 1 7 2133 1 1 4 LYS HZ1 H 0.290 12.794 1.950 1.00 . A A . 4 LYS HZ1 1 1 7 2134 1 1 4 LYS HZ2 H -0.812 14.034 2.275 1.00 . A A . 4 LYS HZ2 1 1 7 2135 1 1 4 LYS HZ3 H -1.211 12.818 1.170 1.00 . A A . 4 LYS HZ3 1 1 7 2136 1 1 4 LYS N N -2.298 9.514 0.036 1.00 . A A . 4 LYS N 1 1 7 2137 1 1 4 LYS NZ N -0.719 13.021 2.063 1.00 . A A . 4 LYS NZ 1 1 7 2138 1 1 4 LYS O O -0.191 6.890 0.868 1.00 . A A . 4 LYS O 1 1 7 2139 1 1 5 LYS C C -2.374 5.600 2.138 1.00 . A A . 5 LYS C 1 1 7 2140 1 1 5 LYS CA C -1.929 6.788 2.971 1.00 . A A . 5 LYS CA 1 1 7 2141 1 1 5 LYS CB C -2.976 7.136 4.034 1.00 . A A . 5 LYS CB 1 1 7 2142 1 1 5 LYS CD C -4.927 6.413 5.426 1.00 . A A . 5 LYS CD 1 1 7 2143 1 1 5 LYS CE C -5.990 5.339 5.601 1.00 . A A . 5 LYS CE 1 1 7 2144 1 1 5 LYS CG C -3.815 5.960 4.492 1.00 . A A . 5 LYS CG 1 1 7 2145 1 1 5 LYS H H -2.358 8.677 2.167 1.00 . A A . 5 LYS H 1 1 7 2146 1 1 5 LYS HA H -0.985 6.577 3.432 1.00 . A A . 5 LYS HA 1 1 7 2147 1 1 5 LYS HB2 H -2.477 7.548 4.896 1.00 . A A . 5 LYS HB2 1 1 7 2148 1 1 5 LYS HB3 H -3.645 7.879 3.624 1.00 . A A . 5 LYS HB3 1 1 7 2149 1 1 5 LYS HD2 H -4.503 6.645 6.392 1.00 . A A . 5 LYS HD2 1 1 7 2150 1 1 5 LYS HD3 H -5.389 7.298 5.013 1.00 . A A . 5 LYS HD3 1 1 7 2151 1 1 5 LYS HE2 H -6.809 5.548 4.930 1.00 . A A . 5 LYS HE2 1 1 7 2152 1 1 5 LYS HE3 H -5.558 4.381 5.352 1.00 . A A . 5 LYS HE3 1 1 7 2153 1 1 5 LYS HG2 H -4.251 5.490 3.623 1.00 . A A . 5 LYS HG2 1 1 7 2154 1 1 5 LYS HG3 H -3.178 5.255 5.004 1.00 . A A . 5 LYS HG3 1 1 7 2155 1 1 5 LYS HZ1 H -5.841 5.749 7.645 1.00 . A A . 5 LYS HZ1 1 1 7 2156 1 1 5 LYS HZ2 H -6.639 4.301 7.294 1.00 . A A . 5 LYS HZ2 1 1 7 2157 1 1 5 LYS HZ3 H -7.426 5.778 7.053 1.00 . A A . 5 LYS HZ3 1 1 7 2158 1 1 5 LYS N N -1.771 7.902 2.076 1.00 . A A . 5 LYS N 1 1 7 2159 1 1 5 LYS NZ N -6.510 5.289 6.996 1.00 . A A . 5 LYS NZ 1 1 7 2160 1 1 5 LYS O O -1.817 4.506 2.206 1.00 . A A . 5 LYS O 1 1 7 2161 1 1 6 PHE C C -2.785 4.168 -0.354 1.00 . A A . 6 PHE C 1 1 7 2162 1 1 6 PHE CA C -3.904 4.809 0.447 1.00 . A A . 6 PHE CA 1 1 7 2163 1 1 6 PHE CB C -4.977 5.353 -0.506 1.00 . A A . 6 PHE CB 1 1 7 2164 1 1 6 PHE CD1 C -6.193 6.231 1.530 1.00 . A A . 6 PHE CD1 1 1 7 2165 1 1 6 PHE CD2 C -7.071 6.722 -0.632 1.00 . A A . 6 PHE CD2 1 1 7 2166 1 1 6 PHE CE1 C -7.225 6.943 2.112 1.00 . A A . 6 PHE CE1 1 1 7 2167 1 1 6 PHE CE2 C -8.105 7.431 -0.056 1.00 . A A . 6 PHE CE2 1 1 7 2168 1 1 6 PHE CG C -6.102 6.113 0.150 1.00 . A A . 6 PHE CG 1 1 7 2169 1 1 6 PHE CZ C -8.183 7.543 1.317 1.00 . A A . 6 PHE CZ 1 1 7 2170 1 1 6 PHE H H -3.760 6.752 1.300 1.00 . A A . 6 PHE H 1 1 7 2171 1 1 6 PHE HA H -4.334 4.053 1.076 1.00 . A A . 6 PHE HA 1 1 7 2172 1 1 6 PHE HB2 H -4.509 6.019 -1.214 1.00 . A A . 6 PHE HB2 1 1 7 2173 1 1 6 PHE HB3 H -5.413 4.524 -1.044 1.00 . A A . 6 PHE HB3 1 1 7 2174 1 1 6 PHE HD1 H -5.450 5.764 2.154 1.00 . A A . 6 PHE HD1 1 1 7 2175 1 1 6 PHE HD2 H -7.013 6.635 -1.706 1.00 . A A . 6 PHE HD2 1 1 7 2176 1 1 6 PHE HE1 H -7.284 7.027 3.187 1.00 . A A . 6 PHE HE1 1 1 7 2177 1 1 6 PHE HE2 H -8.854 7.899 -0.679 1.00 . A A . 6 PHE HE2 1 1 7 2178 1 1 6 PHE HZ H -8.988 8.102 1.768 1.00 . A A . 6 PHE HZ 1 1 7 2179 1 1 6 PHE N N -3.377 5.847 1.321 1.00 . A A . 6 PHE N 1 1 7 2180 1 1 6 PHE O O -2.844 2.981 -0.669 1.00 . A A . 6 PHE O 1 1 7 2181 1 1 7 LYS C C 0.023 3.309 -0.575 1.00 . A A . 7 LYS C 1 1 7 2182 1 1 7 LYS CA C -0.620 4.401 -1.402 1.00 . A A . 7 LYS CA 1 1 7 2183 1 1 7 LYS CB C 0.391 5.482 -1.801 1.00 . A A . 7 LYS CB 1 1 7 2184 1 1 7 LYS CD C 2.667 4.946 -0.864 1.00 . A A . 7 LYS CD 1 1 7 2185 1 1 7 LYS CE C 2.926 4.182 0.422 1.00 . A A . 7 LYS CE 1 1 7 2186 1 1 7 LYS CG C 1.427 5.811 -0.739 1.00 . A A . 7 LYS CG 1 1 7 2187 1 1 7 LYS H H -1.735 5.874 -0.361 1.00 . A A . 7 LYS H 1 1 7 2188 1 1 7 LYS HA H -1.015 3.955 -2.296 1.00 . A A . 7 LYS HA 1 1 7 2189 1 1 7 LYS HB2 H 0.914 5.143 -2.681 1.00 . A A . 7 LYS HB2 1 1 7 2190 1 1 7 LYS HB3 H -0.148 6.385 -2.041 1.00 . A A . 7 LYS HB3 1 1 7 2191 1 1 7 LYS HD2 H 2.529 4.241 -1.669 1.00 . A A . 7 LYS HD2 1 1 7 2192 1 1 7 LYS HD3 H 3.517 5.578 -1.074 1.00 . A A . 7 LYS HD3 1 1 7 2193 1 1 7 LYS HE2 H 2.125 4.394 1.119 1.00 . A A . 7 LYS HE2 1 1 7 2194 1 1 7 LYS HE3 H 2.935 3.126 0.198 1.00 . A A . 7 LYS HE3 1 1 7 2195 1 1 7 LYS HG2 H 1.713 6.847 -0.835 1.00 . A A . 7 LYS HG2 1 1 7 2196 1 1 7 LYS HG3 H 0.988 5.648 0.231 1.00 . A A . 7 LYS HG3 1 1 7 2197 1 1 7 LYS HZ1 H 4.114 5.429 1.606 1.00 . A A . 7 LYS HZ1 1 1 7 2198 1 1 7 LYS HZ2 H 4.940 4.731 0.305 1.00 . A A . 7 LYS HZ2 1 1 7 2199 1 1 7 LYS HZ3 H 4.562 3.799 1.666 1.00 . A A . 7 LYS HZ3 1 1 7 2200 1 1 7 LYS N N -1.747 4.944 -0.661 1.00 . A A . 7 LYS N 1 1 7 2201 1 1 7 LYS NZ N 4.227 4.561 1.043 1.00 . A A . 7 LYS NZ 1 1 7 2202 1 1 7 LYS O O 0.444 2.282 -1.099 1.00 . A A . 7 LYS O 1 1 7 2203 1 1 8 LYS C C -0.101 1.191 1.406 1.00 . A A . 8 LYS C 1 1 7 2204 1 1 8 LYS CA C 0.589 2.523 1.650 1.00 . A A . 8 LYS CA 1 1 7 2205 1 1 8 LYS CB C 0.412 2.965 3.113 1.00 . A A . 8 LYS CB 1 1 7 2206 1 1 8 LYS CD C -1.151 1.186 4.037 1.00 . A A . 8 LYS CD 1 1 7 2207 1 1 8 LYS CE C -1.632 0.967 5.465 1.00 . A A . 8 LYS CE 1 1 7 2208 1 1 8 LYS CG C -0.962 2.661 3.724 1.00 . A A . 8 LYS CG 1 1 7 2209 1 1 8 LYS H H -0.336 4.359 1.095 1.00 . A A . 8 LYS H 1 1 7 2210 1 1 8 LYS HA H 1.632 2.413 1.437 1.00 . A A . 8 LYS HA 1 1 7 2211 1 1 8 LYS HB2 H 1.162 2.473 3.714 1.00 . A A . 8 LYS HB2 1 1 7 2212 1 1 8 LYS HB3 H 0.570 4.034 3.163 1.00 . A A . 8 LYS HB3 1 1 7 2213 1 1 8 LYS HD2 H -1.892 0.788 3.356 1.00 . A A . 8 LYS HD2 1 1 7 2214 1 1 8 LYS HD3 H -0.212 0.673 3.895 1.00 . A A . 8 LYS HD3 1 1 7 2215 1 1 8 LYS HE2 H -2.677 1.239 5.523 1.00 . A A . 8 LYS HE2 1 1 7 2216 1 1 8 LYS HE3 H -1.519 -0.079 5.713 1.00 . A A . 8 LYS HE3 1 1 7 2217 1 1 8 LYS HG2 H -1.069 3.225 4.636 1.00 . A A . 8 LYS HG2 1 1 7 2218 1 1 8 LYS HG3 H -1.724 2.961 3.026 1.00 . A A . 8 LYS HG3 1 1 7 2219 1 1 8 LYS HZ1 H 0.104 1.938 6.102 1.00 . A A . 8 LYS HZ1 1 1 7 2220 1 1 8 LYS HZ2 H -0.824 1.297 7.361 1.00 . A A . 8 LYS HZ2 1 1 7 2221 1 1 8 LYS HZ3 H -1.326 2.708 6.577 1.00 . A A . 8 LYS HZ3 1 1 7 2222 1 1 8 LYS N N 0.047 3.522 0.736 1.00 . A A . 8 LYS N 1 1 7 2223 1 1 8 LYS NZ N -0.866 1.785 6.444 1.00 . A A . 8 LYS NZ 1 1 7 2224 1 1 8 LYS O O 0.520 0.127 1.425 1.00 . A A . 8 LYS O 1 1 7 2225 1 1 9 LYS C C -1.969 -0.486 -0.445 1.00 . A A . 9 LYS C 1 1 7 2226 1 1 9 LYS CA C -2.214 0.087 0.941 1.00 . A A . 9 LYS CA 1 1 7 2227 1 1 9 LYS CB C -3.699 0.422 1.152 1.00 . A A . 9 LYS CB 1 1 7 2228 1 1 9 LYS CD C -5.032 -1.661 1.596 1.00 . A A . 9 LYS CD 1 1 7 2229 1 1 9 LYS CE C -4.228 -2.929 1.378 1.00 . A A . 9 LYS CE 1 1 7 2230 1 1 9 LYS CG C -4.672 -0.596 0.575 1.00 . A A . 9 LYS CG 1 1 7 2231 1 1 9 LYS H H -1.825 2.165 1.193 1.00 . A A . 9 LYS H 1 1 7 2232 1 1 9 LYS HA H -1.909 -0.657 1.651 1.00 . A A . 9 LYS HA 1 1 7 2233 1 1 9 LYS HB2 H -3.887 0.497 2.212 1.00 . A A . 9 LYS HB2 1 1 7 2234 1 1 9 LYS HB3 H -3.904 1.379 0.695 1.00 . A A . 9 LYS HB3 1 1 7 2235 1 1 9 LYS HD2 H -4.827 -1.282 2.586 1.00 . A A . 9 LYS HD2 1 1 7 2236 1 1 9 LYS HD3 H -6.083 -1.890 1.506 1.00 . A A . 9 LYS HD3 1 1 7 2237 1 1 9 LYS HE2 H -3.562 -2.777 0.541 1.00 . A A . 9 LYS HE2 1 1 7 2238 1 1 9 LYS HE3 H -3.649 -3.129 2.267 1.00 . A A . 9 LYS HE3 1 1 7 2239 1 1 9 LYS HG2 H -5.573 -0.084 0.274 1.00 . A A . 9 LYS HG2 1 1 7 2240 1 1 9 LYS HG3 H -4.224 -1.070 -0.285 1.00 . A A . 9 LYS HG3 1 1 7 2241 1 1 9 LYS HZ1 H -6.075 -3.902 1.417 1.00 . A A . 9 LYS HZ1 1 1 7 2242 1 1 9 LYS HZ2 H -4.751 -4.938 1.597 1.00 . A A . 9 LYS HZ2 1 1 7 2243 1 1 9 LYS HZ3 H -5.122 -4.296 0.075 1.00 . A A . 9 LYS HZ3 1 1 7 2244 1 1 9 LYS N N -1.400 1.273 1.183 1.00 . A A . 9 LYS N 1 1 7 2245 1 1 9 LYS NZ N -5.106 -4.098 1.097 1.00 . A A . 9 LYS NZ 1 1 7 2246 1 1 9 LYS O O -1.951 -1.705 -0.627 1.00 . A A . 9 LYS O 1 1 7 2247 1 1 10 LEU C C 0.005 -0.426 -2.886 1.00 . A A . 10 LEU C 1 1 7 2248 1 1 10 LEU CA C -1.468 -0.120 -2.759 1.00 . A A . 10 LEU CA 1 1 7 2249 1 1 10 LEU CB C -1.917 0.841 -3.866 1.00 . A A . 10 LEU CB 1 1 7 2250 1 1 10 LEU CD1 C -1.911 3.264 -4.484 1.00 . A A . 10 LEU CD1 1 1 7 2251 1 1 10 LEU CD2 C -3.777 2.328 -3.110 1.00 . A A . 10 LEU CD2 1 1 7 2252 1 1 10 LEU CG C -2.291 2.247 -3.419 1.00 . A A . 10 LEU CG 1 1 7 2253 1 1 10 LEU H H -1.729 1.333 -1.225 1.00 . A A . 10 LEU H 1 1 7 2254 1 1 10 LEU HA H -2.003 -1.051 -2.869 1.00 . A A . 10 LEU HA 1 1 7 2255 1 1 10 LEU HB2 H -1.119 0.919 -4.589 1.00 . A A . 10 LEU HB2 1 1 7 2256 1 1 10 LEU HB3 H -2.775 0.406 -4.357 1.00 . A A . 10 LEU HB3 1 1 7 2257 1 1 10 LEU HD11 H -0.839 3.395 -4.492 1.00 . A A . 10 LEU HD11 1 1 7 2258 1 1 10 LEU HD12 H -2.386 4.209 -4.266 1.00 . A A . 10 LEU HD12 1 1 7 2259 1 1 10 LEU HD13 H -2.238 2.913 -5.452 1.00 . A A . 10 LEU HD13 1 1 7 2260 1 1 10 LEU HD21 H -4.038 3.346 -2.861 1.00 . A A . 10 LEU HD21 1 1 7 2261 1 1 10 LEU HD22 H -4.006 1.684 -2.275 1.00 . A A . 10 LEU HD22 1 1 7 2262 1 1 10 LEU HD23 H -4.342 2.013 -3.974 1.00 . A A . 10 LEU HD23 1 1 7 2263 1 1 10 LEU HG H -1.745 2.479 -2.519 1.00 . A A . 10 LEU HG 1 1 7 2264 1 1 10 LEU N N -1.745 0.373 -1.418 1.00 . A A . 10 LEU N 1 1 7 2265 1 1 10 LEU O O 0.433 -0.994 -3.877 1.00 . A A . 10 LEU O 1 1 7 2266 1 1 11 LEU C C 2.390 -1.840 -1.573 1.00 . A A . 11 LEU C 1 1 7 2267 1 1 11 LEU CA C 2.191 -0.364 -1.849 1.00 . A A . 11 LEU CA 1 1 7 2268 1 1 11 LEU CB C 2.941 0.496 -0.811 1.00 . A A . 11 LEU CB 1 1 7 2269 1 1 11 LEU CD1 C 4.390 -1.192 0.372 1.00 . A A . 11 LEU CD1 1 1 7 2270 1 1 11 LEU CD2 C 3.614 0.851 1.590 1.00 . A A . 11 LEU CD2 1 1 7 2271 1 1 11 LEU CG C 3.259 -0.186 0.531 1.00 . A A . 11 LEU CG 1 1 7 2272 1 1 11 LEU H H 0.362 0.347 -1.076 1.00 . A A . 11 LEU H 1 1 7 2273 1 1 11 LEU HA H 2.563 -0.144 -2.830 1.00 . A A . 11 LEU HA 1 1 7 2274 1 1 11 LEU HB2 H 3.874 0.812 -1.253 1.00 . A A . 11 LEU HB2 1 1 7 2275 1 1 11 LEU HB3 H 2.347 1.372 -0.609 1.00 . A A . 11 LEU HB3 1 1 7 2276 1 1 11 LEU HD11 H 3.979 -2.190 0.323 1.00 . A A . 11 LEU HD11 1 1 7 2277 1 1 11 LEU HD12 H 5.060 -1.122 1.218 1.00 . A A . 11 LEU HD12 1 1 7 2278 1 1 11 LEU HD13 H 4.935 -0.982 -0.536 1.00 . A A . 11 LEU HD13 1 1 7 2279 1 1 11 LEU HD21 H 2.748 1.054 2.201 1.00 . A A . 11 LEU HD21 1 1 7 2280 1 1 11 LEU HD22 H 3.938 1.761 1.110 1.00 . A A . 11 LEU HD22 1 1 7 2281 1 1 11 LEU HD23 H 4.411 0.470 2.213 1.00 . A A . 11 LEU HD23 1 1 7 2282 1 1 11 LEU HG H 2.382 -0.718 0.868 1.00 . A A . 11 LEU HG 1 1 7 2283 1 1 11 LEU N N 0.770 -0.080 -1.854 1.00 . A A . 11 LEU N 1 1 7 2284 1 1 11 LEU O O 3.162 -2.521 -2.253 1.00 . A A . 11 LEU O 1 1 7 2285 1 1 12 LYS C C 1.256 -4.567 -1.423 1.00 . A A . 12 LYS C 1 1 7 2286 1 1 12 LYS CA C 1.728 -3.741 -0.229 1.00 . A A . 12 LYS CA 1 1 7 2287 1 1 12 LYS CB C 0.890 -3.994 1.046 1.00 . A A . 12 LYS CB 1 1 7 2288 1 1 12 LYS CD C -1.596 -4.299 0.748 1.00 . A A . 12 LYS CD 1 1 7 2289 1 1 12 LYS CE C -2.496 -5.040 -0.231 1.00 . A A . 12 LYS CE 1 1 7 2290 1 1 12 LYS CG C -0.256 -4.996 0.913 1.00 . A A . 12 LYS CG 1 1 7 2291 1 1 12 LYS H H 1.035 -1.733 -0.095 1.00 . A A . 12 LYS H 1 1 7 2292 1 1 12 LYS HA H 2.764 -3.979 -0.029 1.00 . A A . 12 LYS HA 1 1 7 2293 1 1 12 LYS HB2 H 1.550 -4.352 1.820 1.00 . A A . 12 LYS HB2 1 1 7 2294 1 1 12 LYS HB3 H 0.470 -3.050 1.365 1.00 . A A . 12 LYS HB3 1 1 7 2295 1 1 12 LYS HD2 H -2.088 -4.252 1.708 1.00 . A A . 12 LYS HD2 1 1 7 2296 1 1 12 LYS HD3 H -1.424 -3.302 0.383 1.00 . A A . 12 LYS HD3 1 1 7 2297 1 1 12 LYS HE2 H -3.233 -4.352 -0.617 1.00 . A A . 12 LYS HE2 1 1 7 2298 1 1 12 LYS HE3 H -1.889 -5.409 -1.041 1.00 . A A . 12 LYS HE3 1 1 7 2299 1 1 12 LYS HG2 H -0.083 -5.627 0.060 1.00 . A A . 12 LYS HG2 1 1 7 2300 1 1 12 LYS HG3 H -0.288 -5.598 1.807 1.00 . A A . 12 LYS HG3 1 1 7 2301 1 1 12 LYS HZ1 H -4.223 -6.108 0.256 1.00 . A A . 12 LYS HZ1 1 1 7 2302 1 1 12 LYS HZ2 H -3.006 -6.210 1.426 1.00 . A A . 12 LYS HZ2 1 1 7 2303 1 1 12 LYS HZ3 H -2.869 -7.082 -0.015 1.00 . A A . 12 LYS HZ3 1 1 7 2304 1 1 12 LYS N N 1.657 -2.334 -0.583 1.00 . A A . 12 LYS N 1 1 7 2305 1 1 12 LYS NZ N -3.197 -6.190 0.404 1.00 . A A . 12 LYS NZ 1 1 7 2306 1 1 12 LYS O O 2.006 -5.413 -1.964 1.00 . A A . 12 LYS O 1 1 7 2307 1 1 13 SER C C 0.268 -4.714 -4.232 1.00 . A A . 13 SER C 1 1 7 2308 1 1 13 SER CA C -0.586 -4.923 -2.997 1.00 . A A . 13 SER CA 1 1 7 2309 1 1 13 SER CB C -1.985 -4.353 -3.244 1.00 . A A . 13 SER CB 1 1 7 2310 1 1 13 SER H H -0.481 -3.559 -1.383 1.00 . A A . 13 SER H 1 1 7 2311 1 1 13 SER HA H -0.660 -5.979 -2.789 1.00 . A A . 13 SER HA 1 1 7 2312 1 1 13 SER HB2 H -2.235 -3.665 -2.452 1.00 . A A . 13 SER HB2 1 1 7 2313 1 1 13 SER HB3 H -1.997 -3.829 -4.191 1.00 . A A . 13 SER HB3 1 1 7 2314 1 1 13 SER HG H -2.697 -6.053 -3.910 1.00 . A A . 13 SER HG 1 1 7 2315 1 1 13 SER N N 0.024 -4.269 -1.848 1.00 . A A . 13 SER N 1 1 7 2316 1 1 13 SER O O 0.573 -5.664 -4.954 1.00 . A A . 13 SER O 1 1 7 2317 1 1 13 SER OG O -2.960 -5.380 -3.279 1.00 . A A . 13 SER OG 1 1 7 2318 1 1 14 LEU C C 2.437 -4.218 -5.958 1.00 . A A . 14 LEU C 1 1 7 2319 1 1 14 LEU CA C 1.481 -3.094 -5.604 1.00 . A A . 14 LEU CA 1 1 7 2320 1 1 14 LEU CB C 2.278 -1.820 -5.289 1.00 . A A . 14 LEU CB 1 1 7 2321 1 1 14 LEU CD1 C 3.749 -0.448 -6.806 1.00 . A A . 14 LEU CD1 1 1 7 2322 1 1 14 LEU CD2 C 4.758 -1.711 -4.897 1.00 . A A . 14 LEU CD2 1 1 7 2323 1 1 14 LEU CG C 3.660 -1.704 -5.952 1.00 . A A . 14 LEU CG 1 1 7 2324 1 1 14 LEU H H 0.366 -2.754 -3.837 1.00 . A A . 14 LEU H 1 1 7 2325 1 1 14 LEU HA H 0.831 -2.905 -6.444 1.00 . A A . 14 LEU HA 1 1 7 2326 1 1 14 LEU HB2 H 1.685 -0.972 -5.597 1.00 . A A . 14 LEU HB2 1 1 7 2327 1 1 14 LEU HB3 H 2.413 -1.774 -4.218 1.00 . A A . 14 LEU HB3 1 1 7 2328 1 1 14 LEU HD11 H 3.063 0.295 -6.427 1.00 . A A . 14 LEU HD11 1 1 7 2329 1 1 14 LEU HD12 H 3.492 -0.689 -7.827 1.00 . A A . 14 LEU HD12 1 1 7 2330 1 1 14 LEU HD13 H 4.756 -0.059 -6.771 1.00 . A A . 14 LEU HD13 1 1 7 2331 1 1 14 LEU HD21 H 4.629 -0.866 -4.237 1.00 . A A . 14 LEU HD21 1 1 7 2332 1 1 14 LEU HD22 H 5.722 -1.645 -5.380 1.00 . A A . 14 LEU HD22 1 1 7 2333 1 1 14 LEU HD23 H 4.705 -2.625 -4.326 1.00 . A A . 14 LEU HD23 1 1 7 2334 1 1 14 LEU HG H 3.812 -2.554 -6.598 1.00 . A A . 14 LEU HG 1 1 7 2335 1 1 14 LEU N N 0.651 -3.458 -4.460 1.00 . A A . 14 LEU N 1 1 7 2336 1 1 14 LEU O O 2.380 -4.777 -7.053 1.00 . A A . 14 LEU O 1 1 7 2337 1 1 15 LYS C C 3.854 -6.938 -4.819 1.00 . A A . 15 LYS C 1 1 7 2338 1 1 15 LYS CA C 4.317 -5.555 -5.269 1.00 . A A . 15 LYS CA 1 1 7 2339 1 1 15 LYS CB C 5.641 -5.197 -4.586 1.00 . A A . 15 LYS CB 1 1 7 2340 1 1 15 LYS CD C 7.133 -7.130 -3.974 1.00 . A A . 15 LYS CD 1 1 7 2341 1 1 15 LYS CE C 7.023 -8.540 -4.538 1.00 . A A . 15 LYS CE 1 1 7 2342 1 1 15 LYS CG C 6.804 -6.076 -5.021 1.00 . A A . 15 LYS CG 1 1 7 2343 1 1 15 LYS H H 3.342 -4.026 -4.182 1.00 . A A . 15 LYS H 1 1 7 2344 1 1 15 LYS HA H 4.489 -5.590 -6.333 1.00 . A A . 15 LYS HA 1 1 7 2345 1 1 15 LYS HB2 H 5.886 -4.171 -4.822 1.00 . A A . 15 LYS HB2 1 1 7 2346 1 1 15 LYS HB3 H 5.523 -5.292 -3.519 1.00 . A A . 15 LYS HB3 1 1 7 2347 1 1 15 LYS HD2 H 8.143 -6.972 -3.626 1.00 . A A . 15 LYS HD2 1 1 7 2348 1 1 15 LYS HD3 H 6.447 -7.029 -3.146 1.00 . A A . 15 LYS HD3 1 1 7 2349 1 1 15 LYS HE2 H 6.877 -9.229 -3.720 1.00 . A A . 15 LYS HE2 1 1 7 2350 1 1 15 LYS HE3 H 6.171 -8.583 -5.200 1.00 . A A . 15 LYS HE3 1 1 7 2351 1 1 15 LYS HG2 H 6.543 -6.570 -5.946 1.00 . A A . 15 LYS HG2 1 1 7 2352 1 1 15 LYS HG3 H 7.672 -5.452 -5.179 1.00 . A A . 15 LYS HG3 1 1 7 2353 1 1 15 LYS HZ1 H 8.021 -9.708 -5.953 1.00 . A A . 15 LYS HZ1 1 1 7 2354 1 1 15 LYS HZ2 H 8.979 -9.266 -4.631 1.00 . A A . 15 LYS HZ2 1 1 7 2355 1 1 15 LYS HZ3 H 8.615 -8.128 -5.828 1.00 . A A . 15 LYS HZ3 1 1 7 2356 1 1 15 LYS N N 3.334 -4.521 -5.034 1.00 . A A . 15 LYS N 1 1 7 2357 1 1 15 LYS NZ N 8.245 -8.938 -5.290 1.00 . A A . 15 LYS NZ 1 1 7 2358 1 1 15 LYS O O 3.425 -7.748 -5.638 1.00 . A A . 15 LYS O 1 1 7 2359 1 1 16 ARG C C 2.159 -8.548 -2.456 1.00 . A A . 16 ARG C 1 1 7 2360 1 1 16 ARG CA C 3.574 -8.527 -3.007 1.00 . A A . 16 ARG CA 1 1 7 2361 1 1 16 ARG CB C 4.584 -9.024 -1.963 1.00 . A A . 16 ARG CB 1 1 7 2362 1 1 16 ARG CD C 3.794 -11.407 -1.881 1.00 . A A . 16 ARG CD 1 1 7 2363 1 1 16 ARG CG C 4.971 -10.482 -2.156 1.00 . A A . 16 ARG CG 1 1 7 2364 1 1 16 ARG CZ C 4.374 -12.680 0.148 1.00 . A A . 16 ARG CZ 1 1 7 2365 1 1 16 ARG H H 4.298 -6.537 -2.899 1.00 . A A . 16 ARG H 1 1 7 2366 1 1 16 ARG HA H 3.603 -9.207 -3.841 1.00 . A A . 16 ARG HA 1 1 7 2367 1 1 16 ARG HB2 H 5.479 -8.424 -2.031 1.00 . A A . 16 ARG HB2 1 1 7 2368 1 1 16 ARG HB3 H 4.163 -8.918 -0.977 1.00 . A A . 16 ARG HB3 1 1 7 2369 1 1 16 ARG HD2 H 2.887 -10.920 -2.209 1.00 . A A . 16 ARG HD2 1 1 7 2370 1 1 16 ARG HD3 H 3.931 -12.321 -2.441 1.00 . A A . 16 ARG HD3 1 1 7 2371 1 1 16 ARG HE H 3.024 -11.214 0.066 1.00 . A A . 16 ARG HE 1 1 7 2372 1 1 16 ARG HG2 H 5.296 -10.625 -3.177 1.00 . A A . 16 ARG HG2 1 1 7 2373 1 1 16 ARG HG3 H 5.778 -10.724 -1.478 1.00 . A A . 16 ARG HG3 1 1 7 2374 1 1 16 ARG HH11 H 5.352 -13.267 -1.523 1.00 . A A . 16 ARG HH11 1 1 7 2375 1 1 16 ARG HH12 H 5.767 -14.130 -0.080 1.00 . A A . 16 ARG HH12 1 1 7 2376 1 1 16 ARG HH21 H 3.556 -12.341 1.968 1.00 . A A . 16 ARG HH21 1 1 7 2377 1 1 16 ARG HH22 H 4.741 -13.604 1.912 1.00 . A A . 16 ARG HH22 1 1 7 2378 1 1 16 ARG N N 3.963 -7.221 -3.522 1.00 . A A . 16 ARG N 1 1 7 2379 1 1 16 ARG NE N 3.667 -11.733 -0.462 1.00 . A A . 16 ARG NE 1 1 7 2380 1 1 16 ARG NH1 N 5.236 -13.421 -0.541 1.00 . A A . 16 ARG NH1 1 1 7 2381 1 1 16 ARG NH2 N 4.211 -12.892 1.449 1.00 . A A . 16 ARG NH2 1 1 7 2382 1 1 16 ARG O O 1.221 -9.001 -3.110 1.00 . A A . 16 ARG O 1 1 7 2383 1 1 17 LEU C C 1.113 -7.986 1.030 1.00 . A A . 17 LEU C 1 1 7 2384 1 1 17 LEU CA C 0.799 -8.010 -0.468 1.00 . A A . 17 LEU CA 1 1 7 2385 1 1 17 LEU CB C -0.115 -9.201 -0.810 1.00 . A A . 17 LEU CB 1 1 7 2386 1 1 17 LEU CD1 C -1.723 -9.198 1.126 1.00 . A A . 17 LEU CD1 1 1 7 2387 1 1 17 LEU CD2 C -1.230 -11.332 -0.081 1.00 . A A . 17 LEU CD2 1 1 7 2388 1 1 17 LEU CG C -0.663 -9.998 0.384 1.00 . A A . 17 LEU CG 1 1 7 2389 1 1 17 LEU H H 2.859 -7.737 -0.788 1.00 . A A . 17 LEU H 1 1 7 2390 1 1 17 LEU HA H 0.301 -7.094 -0.732 1.00 . A A . 17 LEU HA 1 1 7 2391 1 1 17 LEU HB2 H -0.954 -8.822 -1.378 1.00 . A A . 17 LEU HB2 1 1 7 2392 1 1 17 LEU HB3 H 0.438 -9.881 -1.437 1.00 . A A . 17 LEU HB3 1 1 7 2393 1 1 17 LEU HD11 H -1.558 -9.283 2.189 1.00 . A A . 17 LEU HD11 1 1 7 2394 1 1 17 LEU HD12 H -2.702 -9.582 0.881 1.00 . A A . 17 LEU HD12 1 1 7 2395 1 1 17 LEU HD13 H -1.659 -8.162 0.837 1.00 . A A . 17 LEU HD13 1 1 7 2396 1 1 17 LEU HD21 H -0.925 -12.110 0.603 1.00 . A A . 17 LEU HD21 1 1 7 2397 1 1 17 LEU HD22 H -0.858 -11.556 -1.071 1.00 . A A . 17 LEU HD22 1 1 7 2398 1 1 17 LEU HD23 H -2.308 -11.276 -0.104 1.00 . A A . 17 LEU HD23 1 1 7 2399 1 1 17 LEU HG H 0.143 -10.202 1.073 1.00 . A A . 17 LEU HG 1 1 7 2400 1 1 17 LEU N N 2.049 -8.065 -1.220 1.00 . A A . 17 LEU N 1 1 7 2401 1 1 17 LEU O O 0.301 -7.548 1.842 1.00 . A A . 17 LEU O 1 1 7 2402 1 1 18 GLY C C 4.225 -8.436 2.931 1.00 . A A . 18 GLY C 1 1 7 2403 1 1 18 GLY CA C 2.716 -8.495 2.777 1.00 . A A . 18 GLY CA 1 1 7 2404 1 1 18 GLY H H 2.909 -8.807 0.697 1.00 . A A . 18 GLY H 1 1 7 2405 1 1 18 GLY HA2 H 2.278 -7.650 3.289 1.00 . A A . 18 GLY HA2 1 1 7 2406 1 1 18 GLY HA3 H 2.355 -9.405 3.232 1.00 . A A . 18 GLY HA3 1 1 7 2407 1 1 18 GLY N N 2.303 -8.468 1.386 1.00 . A A . 18 GLY N 1 1 7 2408 1 1 18 GLY O O 4.741 -7.626 3.698 1.00 . A A . 18 GLY O 1 1 8 2409 1 1 1 ALA C C -4.644 13.275 3.214 1.00 . A A . 1 ALA C 1 1 8 2410 1 1 1 ALA CA C -4.237 14.584 2.547 1.00 . A A . 1 ALA CA 1 1 8 2411 1 1 1 ALA CB C -3.308 15.378 3.453 1.00 . A A . 1 ALA CB 1 1 8 2412 1 1 1 ALA H1 H -5.975 14.860 1.483 1.00 . A A . 1 ALA H1 1 1 8 2413 1 1 1 ALA H2 H -5.096 16.298 1.804 1.00 . A A . 1 ALA H2 1 1 8 2414 1 1 1 ALA H3 H -5.987 15.536 3.058 1.00 . A A . 1 ALA H3 1 1 8 2415 1 1 1 ALA HA H -3.701 14.356 1.637 1.00 . A A . 1 ALA HA 1 1 8 2416 1 1 1 ALA HB1 H -2.574 15.893 2.851 1.00 . A A . 1 ALA HB1 1 1 8 2417 1 1 1 ALA HB2 H -2.808 14.705 4.134 1.00 . A A . 1 ALA HB2 1 1 8 2418 1 1 1 ALA HB3 H -3.882 16.099 4.015 1.00 . A A . 1 ALA HB3 1 1 8 2419 1 1 1 ALA N N -5.431 15.393 2.191 1.00 . A A . 1 ALA N 1 1 8 2420 1 1 1 ALA O O -5.009 13.249 4.390 1.00 . A A . 1 ALA O 1 1 8 2421 1 1 2 LEU C C -4.645 9.802 1.903 1.00 . A A . 2 LEU C 1 1 8 2422 1 1 2 LEU CA C -4.929 10.869 2.951 1.00 . A A . 2 LEU CA 1 1 8 2423 1 1 2 LEU CB C -6.403 10.821 3.365 1.00 . A A . 2 LEU CB 1 1 8 2424 1 1 2 LEU CD1 C -8.640 10.948 2.239 1.00 . A A . 2 LEU CD1 1 1 8 2425 1 1 2 LEU CD2 C -7.645 13.002 3.262 1.00 . A A . 2 LEU CD2 1 1 8 2426 1 1 2 LEU CG C -7.349 11.695 2.537 1.00 . A A . 2 LEU CG 1 1 8 2427 1 1 2 LEU H H -4.272 12.286 1.524 1.00 . A A . 2 LEU H 1 1 8 2428 1 1 2 LEU HA H -4.318 10.673 3.812 1.00 . A A . 2 LEU HA 1 1 8 2429 1 1 2 LEU HB2 H -6.739 9.797 3.293 1.00 . A A . 2 LEU HB2 1 1 8 2430 1 1 2 LEU HB3 H -6.474 11.133 4.397 1.00 . A A . 2 LEU HB3 1 1 8 2431 1 1 2 LEU HD11 H -9.317 11.598 1.707 1.00 . A A . 2 LEU HD11 1 1 8 2432 1 1 2 LEU HD12 H -9.096 10.636 3.167 1.00 . A A . 2 LEU HD12 1 1 8 2433 1 1 2 LEU HD13 H -8.422 10.079 1.636 1.00 . A A . 2 LEU HD13 1 1 8 2434 1 1 2 LEU HD21 H -7.126 13.811 2.771 1.00 . A A . 2 LEU HD21 1 1 8 2435 1 1 2 LEU HD22 H -7.311 12.930 4.286 1.00 . A A . 2 LEU HD22 1 1 8 2436 1 1 2 LEU HD23 H -8.707 13.192 3.243 1.00 . A A . 2 LEU HD23 1 1 8 2437 1 1 2 LEU HG H -6.877 11.934 1.594 1.00 . A A . 2 LEU HG 1 1 8 2438 1 1 2 LEU N N -4.575 12.192 2.450 1.00 . A A . 2 LEU N 1 1 8 2439 1 1 2 LEU O O -4.258 8.677 2.221 1.00 . A A . 2 LEU O 1 1 8 2440 1 1 3 TYR C C -3.157 8.682 -0.345 1.00 . A A . 3 TYR C 1 1 8 2441 1 1 3 TYR CA C -4.576 9.209 -0.427 1.00 . A A . 3 TYR CA 1 1 8 2442 1 1 3 TYR CB C -4.843 9.836 -1.797 1.00 . A A . 3 TYR CB 1 1 8 2443 1 1 3 TYR CD1 C -7.198 10.229 -0.986 1.00 . A A . 3 TYR CD1 1 1 8 2444 1 1 3 TYR CD2 C -6.456 11.425 -2.907 1.00 . A A . 3 TYR CD2 1 1 8 2445 1 1 3 TYR CE1 C -8.432 10.839 -1.072 1.00 . A A . 3 TYR CE1 1 1 8 2446 1 1 3 TYR CE2 C -7.689 12.044 -3.002 1.00 . A A . 3 TYR CE2 1 1 8 2447 1 1 3 TYR CG C -6.192 10.510 -1.899 1.00 . A A . 3 TYR CG 1 1 8 2448 1 1 3 TYR CZ C -8.676 11.747 -2.083 1.00 . A A . 3 TYR CZ 1 1 8 2449 1 1 3 TYR H H -5.131 11.060 0.439 1.00 . A A . 3 TYR H 1 1 8 2450 1 1 3 TYR HA H -5.245 8.380 -0.275 1.00 . A A . 3 TYR HA 1 1 8 2451 1 1 3 TYR HB2 H -4.085 10.576 -2.002 1.00 . A A . 3 TYR HB2 1 1 8 2452 1 1 3 TYR HB3 H -4.799 9.064 -2.551 1.00 . A A . 3 TYR HB3 1 1 8 2453 1 1 3 TYR HD1 H -7.003 9.519 -0.193 1.00 . A A . 3 TYR HD1 1 1 8 2454 1 1 3 TYR HD2 H -5.682 11.654 -3.625 1.00 . A A . 3 TYR HD2 1 1 8 2455 1 1 3 TYR HE1 H -9.200 10.603 -0.352 1.00 . A A . 3 TYR HE1 1 1 8 2456 1 1 3 TYR HE2 H -7.876 12.754 -3.793 1.00 . A A . 3 TYR HE2 1 1 8 2457 1 1 3 TYR HH H -10.241 12.534 -1.292 1.00 . A A . 3 TYR HH 1 1 8 2458 1 1 3 TYR N N -4.828 10.155 0.645 1.00 . A A . 3 TYR N 1 1 8 2459 1 1 3 TYR O O -2.860 7.595 -0.836 1.00 . A A . 3 TYR O 1 1 8 2460 1 1 3 TYR OH O -9.904 12.360 -2.173 1.00 . A A . 3 TYR OH 1 1 8 2461 1 1 4 LYS C C -0.945 7.725 1.348 1.00 . A A . 4 LYS C 1 1 8 2462 1 1 4 LYS CA C -0.922 8.983 0.492 1.00 . A A . 4 LYS CA 1 1 8 2463 1 1 4 LYS CB C -0.054 10.100 1.097 1.00 . A A . 4 LYS CB 1 1 8 2464 1 1 4 LYS CD C -1.226 10.581 3.289 1.00 . A A . 4 LYS CD 1 1 8 2465 1 1 4 LYS CE C -1.642 11.957 2.789 1.00 . A A . 4 LYS CE 1 1 8 2466 1 1 4 LYS CG C 0.050 10.088 2.619 1.00 . A A . 4 LYS CG 1 1 8 2467 1 1 4 LYS H H -2.575 10.276 0.717 1.00 . A A . 4 LYS H 1 1 8 2468 1 1 4 LYS HA H -0.548 8.718 -0.478 1.00 . A A . 4 LYS HA 1 1 8 2469 1 1 4 LYS HB2 H 0.944 10.014 0.695 1.00 . A A . 4 LYS HB2 1 1 8 2470 1 1 4 LYS HB3 H -0.467 11.052 0.796 1.00 . A A . 4 LYS HB3 1 1 8 2471 1 1 4 LYS HD2 H -2.021 9.883 3.085 1.00 . A A . 4 LYS HD2 1 1 8 2472 1 1 4 LYS HD3 H -1.059 10.633 4.355 1.00 . A A . 4 LYS HD3 1 1 8 2473 1 1 4 LYS HE2 H -2.099 11.849 1.817 1.00 . A A . 4 LYS HE2 1 1 8 2474 1 1 4 LYS HE3 H -2.364 12.367 3.480 1.00 . A A . 4 LYS HE3 1 1 8 2475 1 1 4 LYS HG2 H 0.248 9.080 2.949 1.00 . A A . 4 LYS HG2 1 1 8 2476 1 1 4 LYS HG3 H 0.869 10.728 2.914 1.00 . A A . 4 LYS HG3 1 1 8 2477 1 1 4 LYS HZ1 H -0.774 13.848 2.978 1.00 . A A . 4 LYS HZ1 1 1 8 2478 1 1 4 LYS HZ2 H -0.151 12.935 1.699 1.00 . A A . 4 LYS HZ2 1 1 8 2479 1 1 4 LYS HZ3 H 0.292 12.571 3.290 1.00 . A A . 4 LYS HZ3 1 1 8 2480 1 1 4 LYS N N -2.286 9.431 0.316 1.00 . A A . 4 LYS N 1 1 8 2481 1 1 4 LYS NZ N -0.488 12.893 2.682 1.00 . A A . 4 LYS NZ 1 1 8 2482 1 1 4 LYS O O -0.128 6.821 1.204 1.00 . A A . 4 LYS O 1 1 8 2483 1 1 5 LYS C C -2.545 5.328 2.129 1.00 . A A . 5 LYS C 1 1 8 2484 1 1 5 LYS CA C -2.155 6.493 3.025 1.00 . A A . 5 LYS CA 1 1 8 2485 1 1 5 LYS CB C -3.265 6.791 4.033 1.00 . A A . 5 LYS CB 1 1 8 2486 1 1 5 LYS CD C -5.554 6.048 4.722 1.00 . A A . 5 LYS CD 1 1 8 2487 1 1 5 LYS CE C -6.038 5.386 6.001 1.00 . A A . 5 LYS CE 1 1 8 2488 1 1 5 LYS CG C -4.147 5.602 4.356 1.00 . A A . 5 LYS CG 1 1 8 2489 1 1 5 LYS H H -2.603 8.380 2.226 1.00 . A A . 5 LYS H 1 1 8 2490 1 1 5 LYS HA H -1.238 6.267 3.539 1.00 . A A . 5 LYS HA 1 1 8 2491 1 1 5 LYS HB2 H -2.820 7.144 4.950 1.00 . A A . 5 LYS HB2 1 1 8 2492 1 1 5 LYS HB3 H -3.894 7.569 3.622 1.00 . A A . 5 LYS HB3 1 1 8 2493 1 1 5 LYS HD2 H -5.557 7.119 4.862 1.00 . A A . 5 LYS HD2 1 1 8 2494 1 1 5 LYS HD3 H -6.224 5.787 3.917 1.00 . A A . 5 LYS HD3 1 1 8 2495 1 1 5 LYS HE2 H -6.442 4.415 5.756 1.00 . A A . 5 LYS HE2 1 1 8 2496 1 1 5 LYS HE3 H -5.199 5.269 6.669 1.00 . A A . 5 LYS HE3 1 1 8 2497 1 1 5 LYS HG2 H -4.200 4.964 3.486 1.00 . A A . 5 LYS HG2 1 1 8 2498 1 1 5 LYS HG3 H -3.717 5.059 5.181 1.00 . A A . 5 LYS HG3 1 1 8 2499 1 1 5 LYS HZ1 H -7.272 7.067 6.154 1.00 . A A . 5 LYS HZ1 1 1 8 2500 1 1 5 LYS HZ2 H -6.790 6.434 7.646 1.00 . A A . 5 LYS HZ2 1 1 8 2501 1 1 5 LYS HZ3 H -7.976 5.643 6.735 1.00 . A A . 5 LYS HZ3 1 1 8 2502 1 1 5 LYS N N -1.949 7.652 2.195 1.00 . A A . 5 LYS N 1 1 8 2503 1 1 5 LYS NZ N -7.093 6.189 6.681 1.00 . A A . 5 LYS NZ 1 1 8 2504 1 1 5 LYS O O -2.198 4.177 2.374 1.00 . A A . 5 LYS O 1 1 8 2505 1 1 6 PHE C C -2.613 3.930 -0.500 1.00 . A A . 6 PHE C 1 1 8 2506 1 1 6 PHE CA C -3.764 4.652 0.146 1.00 . A A . 6 PHE CA 1 1 8 2507 1 1 6 PHE CB C -4.667 5.270 -0.927 1.00 . A A . 6 PHE CB 1 1 8 2508 1 1 6 PHE CD1 C -6.134 6.052 0.972 1.00 . A A . 6 PHE CD1 1 1 8 2509 1 1 6 PHE CD2 C -6.749 6.626 -1.260 1.00 . A A . 6 PHE CD2 1 1 8 2510 1 1 6 PHE CE1 C -7.243 6.721 1.452 1.00 . A A . 6 PHE CE1 1 1 8 2511 1 1 6 PHE CE2 C -7.860 7.295 -0.783 1.00 . A A . 6 PHE CE2 1 1 8 2512 1 1 6 PHE CG C -5.872 5.996 -0.391 1.00 . A A . 6 PHE CG 1 1 8 2513 1 1 6 PHE CZ C -8.106 7.342 0.575 1.00 . A A . 6 PHE CZ 1 1 8 2514 1 1 6 PHE H H -3.542 6.592 0.969 1.00 . A A . 6 PHE H 1 1 8 2515 1 1 6 PHE HA H -4.318 3.933 0.699 1.00 . A A . 6 PHE HA 1 1 8 2516 1 1 6 PHE HB2 H -4.092 5.974 -1.506 1.00 . A A . 6 PHE HB2 1 1 8 2517 1 1 6 PHE HB3 H -5.020 4.486 -1.579 1.00 . A A . 6 PHE HB3 1 1 8 2518 1 1 6 PHE HD1 H -5.464 5.567 1.664 1.00 . A A . 6 PHE HD1 1 1 8 2519 1 1 6 PHE HD2 H -6.558 6.591 -2.321 1.00 . A A . 6 PHE HD2 1 1 8 2520 1 1 6 PHE HE1 H -7.434 6.757 2.515 1.00 . A A . 6 PHE HE1 1 1 8 2521 1 1 6 PHE HE2 H -8.535 7.782 -1.471 1.00 . A A . 6 PHE HE2 1 1 8 2522 1 1 6 PHE HZ H -8.972 7.863 0.950 1.00 . A A . 6 PHE HZ 1 1 8 2523 1 1 6 PHE N N -3.294 5.654 1.090 1.00 . A A . 6 PHE N 1 1 8 2524 1 1 6 PHE O O -2.577 2.699 -0.522 1.00 . A A . 6 PHE O 1 1 8 2525 1 1 7 LYS C C 0.195 3.189 -0.625 1.00 . A A . 7 LYS C 1 1 8 2526 1 1 7 LYS CA C -0.514 4.067 -1.635 1.00 . A A . 7 LYS CA 1 1 8 2527 1 1 7 LYS CB C 0.442 5.093 -2.245 1.00 . A A . 7 LYS CB 1 1 8 2528 1 1 7 LYS CD C 1.770 5.771 -0.158 1.00 . A A . 7 LYS CD 1 1 8 2529 1 1 7 LYS CE C 2.670 4.601 -0.516 1.00 . A A . 7 LYS CE 1 1 8 2530 1 1 7 LYS CG C 0.867 6.224 -1.312 1.00 . A A . 7 LYS CG 1 1 8 2531 1 1 7 LYS H H -1.736 5.655 -0.956 1.00 . A A . 7 LYS H 1 1 8 2532 1 1 7 LYS HA H -0.885 3.432 -2.422 1.00 . A A . 7 LYS HA 1 1 8 2533 1 1 7 LYS HB2 H 1.324 4.577 -2.580 1.00 . A A . 7 LYS HB2 1 1 8 2534 1 1 7 LYS HB3 H -0.043 5.533 -3.103 1.00 . A A . 7 LYS HB3 1 1 8 2535 1 1 7 LYS HD2 H 2.393 6.599 0.136 1.00 . A A . 7 LYS HD2 1 1 8 2536 1 1 7 LYS HD3 H 1.149 5.484 0.675 1.00 . A A . 7 LYS HD3 1 1 8 2537 1 1 7 LYS HE2 H 2.317 3.729 0.015 1.00 . A A . 7 LYS HE2 1 1 8 2538 1 1 7 LYS HE3 H 2.609 4.423 -1.574 1.00 . A A . 7 LYS HE3 1 1 8 2539 1 1 7 LYS HG2 H 1.401 6.961 -1.891 1.00 . A A . 7 LYS HG2 1 1 8 2540 1 1 7 LYS HG3 H -0.023 6.676 -0.901 1.00 . A A . 7 LYS HG3 1 1 8 2541 1 1 7 LYS HZ1 H 4.229 4.691 0.875 1.00 . A A . 7 LYS HZ1 1 1 8 2542 1 1 7 LYS HZ2 H 4.352 5.835 -0.365 1.00 . A A . 7 LYS HZ2 1 1 8 2543 1 1 7 LYS HZ3 H 4.718 4.212 -0.672 1.00 . A A . 7 LYS HZ3 1 1 8 2544 1 1 7 LYS N N -1.663 4.684 -1.012 1.00 . A A . 7 LYS N 1 1 8 2545 1 1 7 LYS NZ N 4.091 4.853 -0.143 1.00 . A A . 7 LYS NZ 1 1 8 2546 1 1 7 LYS O O 0.832 2.214 -0.991 1.00 . A A . 7 LYS O 1 1 8 2547 1 1 8 LYS C C 0.175 1.297 1.634 1.00 . A A . 8 LYS C 1 1 8 2548 1 1 8 LYS CA C 0.686 2.732 1.713 1.00 . A A . 8 LYS CA 1 1 8 2549 1 1 8 LYS CB C 0.418 3.368 3.096 1.00 . A A . 8 LYS CB 1 1 8 2550 1 1 8 LYS CD C -1.589 2.887 4.552 1.00 . A A . 8 LYS CD 1 1 8 2551 1 1 8 LYS CE C -1.957 2.358 5.927 1.00 . A A . 8 LYS CE 1 1 8 2552 1 1 8 LYS CG C -0.197 2.439 4.142 1.00 . A A . 8 LYS CG 1 1 8 2553 1 1 8 LYS H H -0.465 4.325 0.893 1.00 . A A . 8 LYS H 1 1 8 2554 1 1 8 LYS HA H 1.741 2.718 1.535 1.00 . A A . 8 LYS HA 1 1 8 2555 1 1 8 LYS HB2 H 1.357 3.728 3.490 1.00 . A A . 8 LYS HB2 1 1 8 2556 1 1 8 LYS HB3 H -0.241 4.212 2.964 1.00 . A A . 8 LYS HB3 1 1 8 2557 1 1 8 LYS HD2 H -1.620 3.966 4.572 1.00 . A A . 8 LYS HD2 1 1 8 2558 1 1 8 LYS HD3 H -2.302 2.516 3.831 1.00 . A A . 8 LYS HD3 1 1 8 2559 1 1 8 LYS HE2 H -1.535 1.372 6.044 1.00 . A A . 8 LYS HE2 1 1 8 2560 1 1 8 LYS HE3 H -1.542 3.018 6.676 1.00 . A A . 8 LYS HE3 1 1 8 2561 1 1 8 LYS HG2 H -0.262 1.445 3.741 1.00 . A A . 8 LYS HG2 1 1 8 2562 1 1 8 LYS HG3 H 0.438 2.435 5.013 1.00 . A A . 8 LYS HG3 1 1 8 2563 1 1 8 LYS HZ1 H -3.796 1.390 5.718 1.00 . A A . 8 LYS HZ1 1 1 8 2564 1 1 8 LYS HZ2 H -3.897 3.075 5.635 1.00 . A A . 8 LYS HZ2 1 1 8 2565 1 1 8 LYS HZ3 H -3.665 2.315 7.127 1.00 . A A . 8 LYS HZ3 1 1 8 2566 1 1 8 LYS N N 0.066 3.528 0.656 1.00 . A A . 8 LYS N 1 1 8 2567 1 1 8 LYS NZ N -3.432 2.279 6.115 1.00 . A A . 8 LYS NZ 1 1 8 2568 1 1 8 LYS O O 0.948 0.344 1.510 1.00 . A A . 8 LYS O 1 1 8 2569 1 1 9 LYS C C -1.611 -0.681 0.165 1.00 . A A . 9 LYS C 1 1 8 2570 1 1 9 LYS CA C -1.765 -0.151 1.581 1.00 . A A . 9 LYS CA 1 1 8 2571 1 1 9 LYS CB C -3.247 -0.064 2.010 1.00 . A A . 9 LYS CB 1 1 8 2572 1 1 9 LYS CD C -5.031 -1.794 1.560 1.00 . A A . 9 LYS CD 1 1 8 2573 1 1 9 LYS CE C -4.130 -3.004 1.757 1.00 . A A . 9 LYS CE 1 1 8 2574 1 1 9 LYS CG C -4.260 -0.608 1.001 1.00 . A A . 9 LYS CG 1 1 8 2575 1 1 9 LYS H H -1.691 1.960 1.746 1.00 . A A . 9 LYS H 1 1 8 2576 1 1 9 LYS HA H -1.239 -0.813 2.250 1.00 . A A . 9 LYS HA 1 1 8 2577 1 1 9 LYS HB2 H -3.372 -0.612 2.932 1.00 . A A . 9 LYS HB2 1 1 8 2578 1 1 9 LYS HB3 H -3.487 0.973 2.196 1.00 . A A . 9 LYS HB3 1 1 8 2579 1 1 9 LYS HD2 H -5.460 -1.519 2.511 1.00 . A A . 9 LYS HD2 1 1 8 2580 1 1 9 LYS HD3 H -5.819 -2.054 0.868 1.00 . A A . 9 LYS HD3 1 1 8 2581 1 1 9 LYS HE2 H -4.745 -3.892 1.795 1.00 . A A . 9 LYS HE2 1 1 8 2582 1 1 9 LYS HE3 H -3.451 -3.073 0.921 1.00 . A A . 9 LYS HE3 1 1 8 2583 1 1 9 LYS HG2 H -4.962 0.175 0.754 1.00 . A A . 9 LYS HG2 1 1 8 2584 1 1 9 LYS HG3 H -3.744 -0.919 0.107 1.00 . A A . 9 LYS HG3 1 1 8 2585 1 1 9 LYS HZ1 H -3.925 -2.504 3.775 1.00 . A A . 9 LYS HZ1 1 1 8 2586 1 1 9 LYS HZ2 H -2.509 -2.305 2.874 1.00 . A A . 9 LYS HZ2 1 1 8 2587 1 1 9 LYS HZ3 H -3.019 -3.853 3.312 1.00 . A A . 9 LYS HZ3 1 1 8 2588 1 1 9 LYS N N -1.136 1.158 1.675 1.00 . A A . 9 LYS N 1 1 8 2589 1 1 9 LYS NZ N -3.341 -2.911 3.017 1.00 . A A . 9 LYS NZ 1 1 8 2590 1 1 9 LYS O O -1.555 -1.894 -0.063 1.00 . A A . 9 LYS O 1 1 8 2591 1 1 10 LEU C C 0.088 -0.471 -2.466 1.00 . A A . 10 LEU C 1 1 8 2592 1 1 10 LEU CA C -1.358 -0.122 -2.170 1.00 . A A . 10 LEU CA 1 1 8 2593 1 1 10 LEU CB C -1.823 1.010 -3.080 1.00 . A A . 10 LEU CB 1 1 8 2594 1 1 10 LEU CD1 C -3.762 0.651 -4.625 1.00 . A A . 10 LEU CD1 1 1 8 2595 1 1 10 LEU CD2 C -1.546 1.362 -5.543 1.00 . A A . 10 LEU CD2 1 1 8 2596 1 1 10 LEU CG C -2.251 0.553 -4.466 1.00 . A A . 10 LEU CG 1 1 8 2597 1 1 10 LEU H H -1.556 1.192 -0.536 1.00 . A A . 10 LEU H 1 1 8 2598 1 1 10 LEU HA H -1.960 -0.994 -2.355 1.00 . A A . 10 LEU HA 1 1 8 2599 1 1 10 LEU HB2 H -2.656 1.511 -2.606 1.00 . A A . 10 LEU HB2 1 1 8 2600 1 1 10 LEU HB3 H -1.012 1.712 -3.190 1.00 . A A . 10 LEU HB3 1 1 8 2601 1 1 10 LEU HD11 H -4.144 1.419 -3.968 1.00 . A A . 10 LEU HD11 1 1 8 2602 1 1 10 LEU HD12 H -4.215 -0.296 -4.371 1.00 . A A . 10 LEU HD12 1 1 8 2603 1 1 10 LEU HD13 H -4.003 0.903 -5.649 1.00 . A A . 10 LEU HD13 1 1 8 2604 1 1 10 LEU HD21 H -1.625 0.848 -6.489 1.00 . A A . 10 LEU HD21 1 1 8 2605 1 1 10 LEU HD22 H -0.505 1.478 -5.281 1.00 . A A . 10 LEU HD22 1 1 8 2606 1 1 10 LEU HD23 H -2.009 2.336 -5.622 1.00 . A A . 10 LEU HD23 1 1 8 2607 1 1 10 LEU HG H -1.965 -0.481 -4.582 1.00 . A A . 10 LEU HG 1 1 8 2608 1 1 10 LEU N N -1.522 0.242 -0.782 1.00 . A A . 10 LEU N 1 1 8 2609 1 1 10 LEU O O 0.389 -1.036 -3.507 1.00 . A A . 10 LEU O 1 1 8 2610 1 1 11 LEU C C 2.639 -1.885 -1.342 1.00 . A A . 11 LEU C 1 1 8 2611 1 1 11 LEU CA C 2.394 -0.434 -1.686 1.00 . A A . 11 LEU CA 1 1 8 2612 1 1 11 LEU CB C 3.261 0.498 -0.819 1.00 . A A . 11 LEU CB 1 1 8 2613 1 1 11 LEU CD1 C 4.772 -0.951 0.572 1.00 . A A . 11 LEU CD1 1 1 8 2614 1 1 11 LEU CD2 C 3.865 1.178 1.520 1.00 . A A . 11 LEU CD2 1 1 8 2615 1 1 11 LEU CG C 3.585 0.000 0.596 1.00 . A A . 11 LEU CG 1 1 8 2616 1 1 11 LEU H H 0.654 0.295 -0.724 1.00 . A A . 11 LEU H 1 1 8 2617 1 1 11 LEU HA H 2.643 -0.286 -2.720 1.00 . A A . 11 LEU HA 1 1 8 2618 1 1 11 LEU HB2 H 4.196 0.663 -1.335 1.00 . A A . 11 LEU HB2 1 1 8 2619 1 1 11 LEU HB3 H 2.754 1.443 -0.731 1.00 . A A . 11 LEU HB3 1 1 8 2620 1 1 11 LEU HD11 H 5.359 -0.815 1.467 1.00 . A A . 11 LEU HD11 1 1 8 2621 1 1 11 LEU HD12 H 5.382 -0.741 -0.293 1.00 . A A . 11 LEU HD12 1 1 8 2622 1 1 11 LEU HD13 H 4.417 -1.968 0.525 1.00 . A A . 11 LEU HD13 1 1 8 2623 1 1 11 LEU HD21 H 3.536 2.092 1.049 1.00 . A A . 11 LEU HD21 1 1 8 2624 1 1 11 LEU HD22 H 4.926 1.237 1.717 1.00 . A A . 11 LEU HD22 1 1 8 2625 1 1 11 LEU HD23 H 3.334 1.041 2.451 1.00 . A A . 11 LEU HD23 1 1 8 2626 1 1 11 LEU HG H 2.736 -0.535 0.987 1.00 . A A . 11 LEU HG 1 1 8 2627 1 1 11 LEU N N 0.973 -0.142 -1.534 1.00 . A A . 11 LEU N 1 1 8 2628 1 1 11 LEU O O 3.378 -2.591 -2.028 1.00 . A A . 11 LEU O 1 1 8 2629 1 1 12 LYS C C 1.657 -4.594 -1.066 1.00 . A A . 12 LYS C 1 1 8 2630 1 1 12 LYS CA C 2.058 -3.720 0.118 1.00 . A A . 12 LYS CA 1 1 8 2631 1 1 12 LYS CB C 1.137 -3.938 1.344 1.00 . A A . 12 LYS CB 1 1 8 2632 1 1 12 LYS CD C -1.322 -4.566 1.406 1.00 . A A . 12 LYS CD 1 1 8 2633 1 1 12 LYS CE C -2.276 -5.715 1.713 1.00 . A A . 12 LYS CE 1 1 8 2634 1 1 12 LYS CG C 0.104 -5.065 1.222 1.00 . A A . 12 LYS CG 1 1 8 2635 1 1 12 LYS H H 1.367 -1.717 0.184 1.00 . A A . 12 LYS H 1 1 8 2636 1 1 12 LYS HA H 3.081 -3.930 0.387 1.00 . A A . 12 LYS HA 1 1 8 2637 1 1 12 LYS HB2 H 1.757 -4.153 2.201 1.00 . A A . 12 LYS HB2 1 1 8 2638 1 1 12 LYS HB3 H 0.605 -3.017 1.532 1.00 . A A . 12 LYS HB3 1 1 8 2639 1 1 12 LYS HD2 H -1.346 -3.864 2.226 1.00 . A A . 12 LYS HD2 1 1 8 2640 1 1 12 LYS HD3 H -1.645 -4.075 0.499 1.00 . A A . 12 LYS HD3 1 1 8 2641 1 1 12 LYS HE2 H -1.777 -6.416 2.365 1.00 . A A . 12 LYS HE2 1 1 8 2642 1 1 12 LYS HE3 H -3.148 -5.321 2.213 1.00 . A A . 12 LYS HE3 1 1 8 2643 1 1 12 LYS HG2 H 0.183 -5.520 0.255 1.00 . A A . 12 LYS HG2 1 1 8 2644 1 1 12 LYS HG3 H 0.309 -5.799 1.979 1.00 . A A . 12 LYS HG3 1 1 8 2645 1 1 12 LYS HZ1 H -2.297 -5.987 -0.362 1.00 . A A . 12 LYS HZ1 1 1 8 2646 1 1 12 LYS HZ2 H -3.749 -6.405 0.399 1.00 . A A . 12 LYS HZ2 1 1 8 2647 1 1 12 LYS HZ3 H -2.407 -7.427 0.520 1.00 . A A . 12 LYS HZ3 1 1 8 2648 1 1 12 LYS N N 1.967 -2.332 -0.299 1.00 . A A . 12 LYS N 1 1 8 2649 1 1 12 LYS NZ N -2.712 -6.433 0.482 1.00 . A A . 12 LYS NZ 1 1 8 2650 1 1 12 LYS O O 2.454 -5.417 -1.580 1.00 . A A . 12 LYS O 1 1 8 2651 1 1 13 SER C C 0.581 -4.722 -3.909 1.00 . A A . 13 SER C 1 1 8 2652 1 1 13 SER CA C -0.162 -5.065 -2.639 1.00 . A A . 13 SER CA 1 1 8 2653 1 1 13 SER CB C -1.630 -4.686 -2.802 1.00 . A A . 13 SER CB 1 1 8 2654 1 1 13 SER H H -0.123 -3.668 -1.055 1.00 . A A . 13 SER H 1 1 8 2655 1 1 13 SER HA H -0.084 -6.127 -2.458 1.00 . A A . 13 SER HA 1 1 8 2656 1 1 13 SER HB2 H -1.969 -4.176 -1.912 1.00 . A A . 13 SER HB2 1 1 8 2657 1 1 13 SER HB3 H -1.732 -4.027 -3.655 1.00 . A A . 13 SER HB3 1 1 8 2658 1 1 13 SER HG H -3.054 -5.665 -3.722 1.00 . A A . 13 SER HG 1 1 8 2659 1 1 13 SER N N 0.416 -4.361 -1.507 1.00 . A A . 13 SER N 1 1 8 2660 1 1 13 SER O O 0.860 -5.597 -4.728 1.00 . A A . 13 SER O 1 1 8 2661 1 1 13 SER OG O -2.436 -5.833 -3.007 1.00 . A A . 13 SER OG 1 1 8 2662 1 1 14 LEU C C 2.602 -4.050 -5.691 1.00 . A A . 14 LEU C 1 1 8 2663 1 1 14 LEU CA C 1.630 -2.974 -5.239 1.00 . A A . 14 LEU CA 1 1 8 2664 1 1 14 LEU CB C 2.375 -1.675 -4.909 1.00 . A A . 14 LEU CB 1 1 8 2665 1 1 14 LEU CD1 C 3.546 -0.114 -6.489 1.00 . A A . 14 LEU CD1 1 1 8 2666 1 1 14 LEU CD2 C 4.861 -1.365 -4.766 1.00 . A A . 14 LEU CD2 1 1 8 2667 1 1 14 LEU CG C 3.658 -1.411 -5.700 1.00 . A A . 14 LEU CG 1 1 8 2668 1 1 14 LEU H H 0.652 -2.787 -3.370 1.00 . A A . 14 LEU H 1 1 8 2669 1 1 14 LEU HA H 0.915 -2.787 -6.027 1.00 . A A . 14 LEU HA 1 1 8 2670 1 1 14 LEU HB2 H 1.701 -0.850 -5.081 1.00 . A A . 14 LEU HB2 1 1 8 2671 1 1 14 LEU HB3 H 2.625 -1.698 -3.862 1.00 . A A . 14 LEU HB3 1 1 8 2672 1 1 14 LEU HD11 H 3.766 0.721 -5.842 1.00 . A A . 14 LEU HD11 1 1 8 2673 1 1 14 LEU HD12 H 2.543 -0.014 -6.878 1.00 . A A . 14 LEU HD12 1 1 8 2674 1 1 14 LEU HD13 H 4.250 -0.129 -7.308 1.00 . A A . 14 LEU HD13 1 1 8 2675 1 1 14 LEU HD21 H 4.776 -0.508 -4.114 1.00 . A A . 14 LEU HD21 1 1 8 2676 1 1 14 LEU HD22 H 5.768 -1.285 -5.347 1.00 . A A . 14 LEU HD22 1 1 8 2677 1 1 14 LEU HD23 H 4.893 -2.267 -4.172 1.00 . A A . 14 LEU HD23 1 1 8 2678 1 1 14 LEU HG H 3.806 -2.215 -6.399 1.00 . A A . 14 LEU HG 1 1 8 2679 1 1 14 LEU N N 0.905 -3.438 -4.066 1.00 . A A . 14 LEU N 1 1 8 2680 1 1 14 LEU O O 2.470 -4.603 -6.782 1.00 . A A . 14 LEU O 1 1 8 2681 1 1 15 LYS C C 4.116 -6.758 -4.646 1.00 . A A . 15 LYS C 1 1 8 2682 1 1 15 LYS CA C 4.540 -5.376 -5.151 1.00 . A A . 15 LYS CA 1 1 8 2683 1 1 15 LYS CB C 5.917 -5.015 -4.591 1.00 . A A . 15 LYS CB 1 1 8 2684 1 1 15 LYS CD C 7.314 -7.109 -4.643 1.00 . A A . 15 LYS CD 1 1 8 2685 1 1 15 LYS CE C 6.846 -8.249 -5.537 1.00 . A A . 15 LYS CE 1 1 8 2686 1 1 15 LYS CG C 7.055 -5.752 -5.280 1.00 . A A . 15 LYS CG 1 1 8 2687 1 1 15 LYS H H 3.617 -3.886 -3.972 1.00 . A A . 15 LYS H 1 1 8 2688 1 1 15 LYS HA H 4.615 -5.421 -6.227 1.00 . A A . 15 LYS HA 1 1 8 2689 1 1 15 LYS HB2 H 6.078 -3.954 -4.712 1.00 . A A . 15 LYS HB2 1 1 8 2690 1 1 15 LYS HB3 H 5.946 -5.256 -3.540 1.00 . A A . 15 LYS HB3 1 1 8 2691 1 1 15 LYS HD2 H 8.374 -7.217 -4.469 1.00 . A A . 15 LYS HD2 1 1 8 2692 1 1 15 LYS HD3 H 6.786 -7.162 -3.702 1.00 . A A . 15 LYS HD3 1 1 8 2693 1 1 15 LYS HE2 H 5.786 -8.391 -5.396 1.00 . A A . 15 LYS HE2 1 1 8 2694 1 1 15 LYS HE3 H 7.039 -7.985 -6.567 1.00 . A A . 15 LYS HE3 1 1 8 2695 1 1 15 LYS HG2 H 6.798 -5.898 -6.319 1.00 . A A . 15 LYS HG2 1 1 8 2696 1 1 15 LYS HG3 H 7.953 -5.155 -5.212 1.00 . A A . 15 LYS HG3 1 1 8 2697 1 1 15 LYS HZ1 H 7.319 -10.242 -5.945 1.00 . A A . 15 LYS HZ1 1 1 8 2698 1 1 15 LYS HZ2 H 7.246 -9.878 -4.295 1.00 . A A . 15 LYS HZ2 1 1 8 2699 1 1 15 LYS HZ3 H 8.575 -9.375 -5.213 1.00 . A A . 15 LYS HZ3 1 1 8 2700 1 1 15 LYS N N 3.569 -4.352 -4.834 1.00 . A A . 15 LYS N 1 1 8 2701 1 1 15 LYS NZ N 7.546 -9.526 -5.226 1.00 . A A . 15 LYS NZ 1 1 8 2702 1 1 15 LYS O O 3.607 -7.569 -5.419 1.00 . A A . 15 LYS O 1 1 8 2703 1 1 16 ARG C C 2.651 -8.342 -2.082 1.00 . A A . 16 ARG C 1 1 8 2704 1 1 16 ARG CA C 3.995 -8.339 -2.795 1.00 . A A . 16 ARG CA 1 1 8 2705 1 1 16 ARG CB C 5.103 -8.835 -1.856 1.00 . A A . 16 ARG CB 1 1 8 2706 1 1 16 ARG CD C 4.254 -11.204 -1.997 1.00 . A A . 16 ARG CD 1 1 8 2707 1 1 16 ARG CG C 4.737 -10.093 -1.077 1.00 . A A . 16 ARG CG 1 1 8 2708 1 1 16 ARG CZ C 2.489 -12.923 -2.036 1.00 . A A . 16 ARG CZ 1 1 8 2709 1 1 16 ARG H H 4.736 -6.351 -2.768 1.00 . A A . 16 ARG H 1 1 8 2710 1 1 16 ARG HA H 3.927 -9.024 -3.620 1.00 . A A . 16 ARG HA 1 1 8 2711 1 1 16 ARG HB2 H 5.985 -9.047 -2.444 1.00 . A A . 16 ARG HB2 1 1 8 2712 1 1 16 ARG HB3 H 5.336 -8.053 -1.147 1.00 . A A . 16 ARG HB3 1 1 8 2713 1 1 16 ARG HD2 H 4.084 -10.794 -2.980 1.00 . A A . 16 ARG HD2 1 1 8 2714 1 1 16 ARG HD3 H 5.018 -11.965 -2.053 1.00 . A A . 16 ARG HD3 1 1 8 2715 1 1 16 ARG HE H 2.546 -11.370 -0.783 1.00 . A A . 16 ARG HE 1 1 8 2716 1 1 16 ARG HG2 H 5.607 -10.438 -0.539 1.00 . A A . 16 ARG HG2 1 1 8 2717 1 1 16 ARG HG3 H 3.951 -9.852 -0.377 1.00 . A A . 16 ARG HG3 1 1 8 2718 1 1 16 ARG HH11 H 3.957 -13.194 -3.399 1.00 . A A . 16 ARG HH11 1 1 8 2719 1 1 16 ARG HH12 H 2.702 -14.386 -3.412 1.00 . A A . 16 ARG HH12 1 1 8 2720 1 1 16 ARG HH21 H 0.886 -12.938 -0.808 1.00 . A A . 16 ARG HH21 1 1 8 2721 1 1 16 ARG HH22 H 0.961 -14.241 -1.944 1.00 . A A . 16 ARG HH22 1 1 8 2722 1 1 16 ARG N N 4.346 -7.037 -3.356 1.00 . A A . 16 ARG N 1 1 8 2723 1 1 16 ARG NE N 3.014 -11.813 -1.521 1.00 . A A . 16 ARG NE 1 1 8 2724 1 1 16 ARG NH1 N 3.100 -13.552 -3.031 1.00 . A A . 16 ARG NH1 1 1 8 2725 1 1 16 ARG NH2 N 1.353 -13.407 -1.557 1.00 . A A . 16 ARG NH2 1 1 8 2726 1 1 16 ARG O O 1.628 -8.757 -2.624 1.00 . A A . 16 ARG O 1 1 8 2727 1 1 17 LEU C C 2.061 -7.730 1.520 1.00 . A A . 17 LEU C 1 1 8 2728 1 1 17 LEU CA C 1.565 -7.815 0.068 1.00 . A A . 17 LEU CA 1 1 8 2729 1 1 17 LEU CB C 0.633 -9.030 -0.119 1.00 . A A . 17 LEU CB 1 1 8 2730 1 1 17 LEU CD1 C -0.570 -9.017 2.092 1.00 . A A . 17 LEU CD1 1 1 8 2731 1 1 17 LEU CD2 C -0.376 -11.142 0.790 1.00 . A A . 17 LEU CD2 1 1 8 2732 1 1 17 LEU CG C 0.305 -9.830 1.149 1.00 . A A . 17 LEU CG 1 1 8 2733 1 1 17 LEU H H 3.579 -7.589 -0.495 1.00 . A A . 17 LEU H 1 1 8 2734 1 1 17 LEU HA H 1.024 -6.915 -0.165 1.00 . A A . 17 LEU HA 1 1 8 2735 1 1 17 LEU HB2 H -0.295 -8.675 -0.543 1.00 . A A . 17 LEU HB2 1 1 8 2736 1 1 17 LEU HB3 H 1.092 -9.704 -0.827 1.00 . A A . 17 LEU HB3 1 1 8 2737 1 1 17 LEU HD11 H -0.050 -8.873 3.027 1.00 . A A . 17 LEU HD11 1 1 8 2738 1 1 17 LEU HD12 H -1.494 -9.544 2.273 1.00 . A A . 17 LEU HD12 1 1 8 2739 1 1 17 LEU HD13 H -0.783 -8.057 1.647 1.00 . A A . 17 LEU HD13 1 1 8 2740 1 1 17 LEU HD21 H -1.089 -11.401 1.559 1.00 . A A . 17 LEU HD21 1 1 8 2741 1 1 17 LEU HD22 H 0.367 -11.922 0.713 1.00 . A A . 17 LEU HD22 1 1 8 2742 1 1 17 LEU HD23 H -0.888 -11.035 -0.155 1.00 . A A . 17 LEU HD23 1 1 8 2743 1 1 17 LEU HG H 1.224 -10.062 1.667 1.00 . A A . 17 LEU HG 1 1 8 2744 1 1 17 LEU N N 2.710 -7.883 -0.833 1.00 . A A . 17 LEU N 1 1 8 2745 1 1 17 LEU O O 1.356 -7.255 2.404 1.00 . A A . 17 LEU O 1 1 8 2746 1 1 18 GLY C C 5.361 -8.266 3.092 1.00 . A A . 18 GLY C 1 1 8 2747 1 1 18 GLY CA C 3.848 -8.162 3.091 1.00 . A A . 18 GLY CA 1 1 8 2748 1 1 18 GLY H H 3.808 -8.565 1.016 1.00 . A A . 18 GLY H 1 1 8 2749 1 1 18 GLY HA2 H 3.563 -7.234 3.565 1.00 . A A . 18 GLY HA2 1 1 8 2750 1 1 18 GLY HA3 H 3.442 -8.983 3.663 1.00 . A A . 18 GLY HA3 1 1 8 2751 1 1 18 GLY N N 3.285 -8.197 1.754 1.00 . A A . 18 GLY N 1 1 8 2752 1 1 18 GLY O O 6.039 -7.462 3.728 1.00 . A A . 18 GLY O 1 1 9 2753 1 1 1 ALA C C -3.711 13.186 3.712 1.00 . A A . 1 ALA C 1 1 9 2754 1 1 1 ALA CA C -2.944 14.401 3.207 1.00 . A A . 1 ALA CA 1 1 9 2755 1 1 1 ALA CB C -2.194 15.067 4.347 1.00 . A A . 1 ALA CB 1 1 9 2756 1 1 1 ALA H1 H -4.085 15.003 1.608 1.00 . A A . 1 ALA H1 1 1 9 2757 1 1 1 ALA H2 H -3.368 16.283 2.499 1.00 . A A . 1 ALA H2 1 1 9 2758 1 1 1 ALA H3 H -4.718 15.438 3.141 1.00 . A A . 1 ALA H3 1 1 9 2759 1 1 1 ALA HA H -2.221 14.075 2.475 1.00 . A A . 1 ALA HA 1 1 9 2760 1 1 1 ALA HB1 H -2.825 15.815 4.807 1.00 . A A . 1 ALA HB1 1 1 9 2761 1 1 1 ALA HB2 H -1.301 15.536 3.963 1.00 . A A . 1 ALA HB2 1 1 9 2762 1 1 1 ALA HB3 H -1.924 14.324 5.082 1.00 . A A . 1 ALA HB3 1 1 9 2763 1 1 1 ALA N N -3.861 15.369 2.556 1.00 . A A . 1 ALA N 1 1 9 2764 1 1 1 ALA O O -4.221 13.181 4.833 1.00 . A A . 1 ALA O 1 1 9 2765 1 1 2 LEU C C -4.391 9.886 2.123 1.00 . A A . 2 LEU C 1 1 9 2766 1 1 2 LEU CA C -4.498 10.932 3.223 1.00 . A A . 2 LEU CA 1 1 9 2767 1 1 2 LEU CB C -5.970 11.230 3.479 1.00 . A A . 2 LEU CB 1 1 9 2768 1 1 2 LEU CD1 C -8.147 11.728 2.350 1.00 . A A . 2 LEU CD1 1 1 9 2769 1 1 2 LEU CD2 C -6.420 13.522 2.572 1.00 . A A . 2 LEU CD2 1 1 9 2770 1 1 2 LEU CG C -6.658 12.032 2.377 1.00 . A A . 2 LEU CG 1 1 9 2771 1 1 2 LEU H H -3.360 12.235 1.996 1.00 . A A . 2 LEU H 1 1 9 2772 1 1 2 LEU HA H -4.057 10.539 4.121 1.00 . A A . 2 LEU HA 1 1 9 2773 1 1 2 LEU HB2 H -6.488 10.287 3.583 1.00 . A A . 2 LEU HB2 1 1 9 2774 1 1 2 LEU HB3 H -6.053 11.779 4.403 1.00 . A A . 2 LEU HB3 1 1 9 2775 1 1 2 LEU HD11 H -8.596 12.198 1.487 1.00 . A A . 2 LEU HD11 1 1 9 2776 1 1 2 LEU HD12 H -8.607 12.112 3.249 1.00 . A A . 2 LEU HD12 1 1 9 2777 1 1 2 LEU HD13 H -8.296 10.661 2.299 1.00 . A A . 2 LEU HD13 1 1 9 2778 1 1 2 LEU HD21 H -5.551 13.824 2.007 1.00 . A A . 2 LEU HD21 1 1 9 2779 1 1 2 LEU HD22 H -6.257 13.726 3.620 1.00 . A A . 2 LEU HD22 1 1 9 2780 1 1 2 LEU HD23 H -7.283 14.073 2.228 1.00 . A A . 2 LEU HD23 1 1 9 2781 1 1 2 LEU HG H -6.236 11.748 1.421 1.00 . A A . 2 LEU HG 1 1 9 2782 1 1 2 LEU N N -3.788 12.161 2.871 1.00 . A A . 2 LEU N 1 1 9 2783 1 1 2 LEU O O -4.486 8.687 2.375 1.00 . A A . 2 LEU O 1 1 9 2784 1 1 3 TYR C C -2.774 8.750 -0.272 1.00 . A A . 3 TYR C 1 1 9 2785 1 1 3 TYR CA C -4.126 9.431 -0.224 1.00 . A A . 3 TYR CA 1 1 9 2786 1 1 3 TYR CB C -4.432 10.193 -1.509 1.00 . A A . 3 TYR CB 1 1 9 2787 1 1 3 TYR CD1 C -6.745 10.358 -0.544 1.00 . A A . 3 TYR CD1 1 1 9 2788 1 1 3 TYR CD2 C -6.239 11.698 -2.445 1.00 . A A . 3 TYR CD2 1 1 9 2789 1 1 3 TYR CE1 C -8.020 10.848 -0.518 1.00 . A A . 3 TYR CE1 1 1 9 2790 1 1 3 TYR CE2 C -7.525 12.200 -2.428 1.00 . A A . 3 TYR CE2 1 1 9 2791 1 1 3 TYR CG C -5.829 10.768 -1.503 1.00 . A A . 3 TYR CG 1 1 9 2792 1 1 3 TYR CZ C -8.415 11.770 -1.463 1.00 . A A . 3 TYR CZ 1 1 9 2793 1 1 3 TYR H H -4.173 11.301 0.749 1.00 . A A . 3 TYR H 1 1 9 2794 1 1 3 TYR HA H -4.874 8.675 -0.067 1.00 . A A . 3 TYR HA 1 1 9 2795 1 1 3 TYR HB2 H -3.732 11.010 -1.617 1.00 . A A . 3 TYR HB2 1 1 9 2796 1 1 3 TYR HB3 H -4.346 9.526 -2.352 1.00 . A A . 3 TYR HB3 1 1 9 2797 1 1 3 TYR HD1 H -6.440 9.640 0.198 1.00 . A A . 3 TYR HD1 1 1 9 2798 1 1 3 TYR HD2 H -5.540 12.030 -3.199 1.00 . A A . 3 TYR HD2 1 1 9 2799 1 1 3 TYR HE1 H -8.705 10.499 0.241 1.00 . A A . 3 TYR HE1 1 1 9 2800 1 1 3 TYR HE2 H -7.828 12.925 -3.167 1.00 . A A . 3 TYR HE2 1 1 9 2801 1 1 3 TYR HH H -9.992 12.370 -0.534 1.00 . A A . 3 TYR HH 1 1 9 2802 1 1 3 TYR N N -4.221 10.340 0.901 1.00 . A A . 3 TYR N 1 1 9 2803 1 1 3 TYR O O -2.570 7.773 -0.994 1.00 . A A . 3 TYR O 1 1 9 2804 1 1 3 TYR OH O -9.698 12.267 -1.444 1.00 . A A . 3 TYR OH 1 1 9 2805 1 1 4 LYS C C -0.675 7.501 1.669 1.00 . A A . 4 LYS C 1 1 9 2806 1 1 4 LYS CA C -0.567 8.649 0.689 1.00 . A A . 4 LYS CA 1 1 9 2807 1 1 4 LYS CB C 0.436 9.718 1.135 1.00 . A A . 4 LYS CB 1 1 9 2808 1 1 4 LYS CD C -0.562 10.508 3.316 1.00 . A A . 4 LYS CD 1 1 9 2809 1 1 4 LYS CE C -0.848 11.881 2.725 1.00 . A A . 4 LYS CE 1 1 9 2810 1 1 4 LYS CG C 0.627 9.831 2.644 1.00 . A A . 4 LYS CG 1 1 9 2811 1 1 4 LYS H H -2.132 9.962 1.150 1.00 . A A . 4 LYS H 1 1 9 2812 1 1 4 LYS HA H -0.286 8.255 -0.268 1.00 . A A . 4 LYS HA 1 1 9 2813 1 1 4 LYS HB2 H 1.394 9.505 0.687 1.00 . A A . 4 LYS HB2 1 1 9 2814 1 1 4 LYS HB3 H 0.084 10.674 0.769 1.00 . A A . 4 LYS HB3 1 1 9 2815 1 1 4 LYS HD2 H -1.435 9.890 3.187 1.00 . A A . 4 LYS HD2 1 1 9 2816 1 1 4 LYS HD3 H -0.352 10.617 4.370 1.00 . A A . 4 LYS HD3 1 1 9 2817 1 1 4 LYS HE2 H -1.461 11.757 1.844 1.00 . A A . 4 LYS HE2 1 1 9 2818 1 1 4 LYS HE3 H -1.387 12.465 3.456 1.00 . A A . 4 LYS HE3 1 1 9 2819 1 1 4 LYS HG2 H 0.744 8.842 3.061 1.00 . A A . 4 LYS HG2 1 1 9 2820 1 1 4 LYS HG3 H 1.517 10.410 2.839 1.00 . A A . 4 LYS HG3 1 1 9 2821 1 1 4 LYS HZ1 H 0.230 13.631 2.347 1.00 . A A . 4 LYS HZ1 1 1 9 2822 1 1 4 LYS HZ2 H 0.723 12.313 1.411 1.00 . A A . 4 LYS HZ2 1 1 9 2823 1 1 4 LYS HZ3 H 1.151 12.396 3.045 1.00 . A A . 4 LYS HZ3 1 1 9 2824 1 1 4 LYS N N -1.880 9.231 0.563 1.00 . A A . 4 LYS N 1 1 9 2825 1 1 4 LYS NZ N 0.402 12.606 2.356 1.00 . A A . 4 LYS NZ 1 1 9 2826 1 1 4 LYS O O 0.147 6.583 1.705 1.00 . A A . 4 LYS O 1 1 9 2827 1 1 5 LYS C C -2.550 5.311 2.653 1.00 . A A . 5 LYS C 1 1 9 2828 1 1 5 LYS CA C -2.056 6.541 3.387 1.00 . A A . 5 LYS CA 1 1 9 2829 1 1 5 LYS CB C -3.134 7.056 4.335 1.00 . A A . 5 LYS CB 1 1 9 2830 1 1 5 LYS CD C -5.559 6.456 4.278 1.00 . A A . 5 LYS CD 1 1 9 2831 1 1 5 LYS CE C -6.438 5.290 3.861 1.00 . A A . 5 LYS CE 1 1 9 2832 1 1 5 LYS CG C -4.163 6.009 4.698 1.00 . A A . 5 LYS CG 1 1 9 2833 1 1 5 LYS H H -2.373 8.301 2.325 1.00 . A A . 5 LYS H 1 1 9 2834 1 1 5 LYS HA H -1.173 6.298 3.941 1.00 . A A . 5 LYS HA 1 1 9 2835 1 1 5 LYS HB2 H -2.670 7.413 5.242 1.00 . A A . 5 LYS HB2 1 1 9 2836 1 1 5 LYS HB3 H -3.645 7.879 3.853 1.00 . A A . 5 LYS HB3 1 1 9 2837 1 1 5 LYS HD2 H -6.026 6.966 5.105 1.00 . A A . 5 LYS HD2 1 1 9 2838 1 1 5 LYS HD3 H -5.466 7.137 3.441 1.00 . A A . 5 LYS HD3 1 1 9 2839 1 1 5 LYS HE2 H -7.116 5.631 3.089 1.00 . A A . 5 LYS HE2 1 1 9 2840 1 1 5 LYS HE3 H -5.811 4.506 3.463 1.00 . A A . 5 LYS HE3 1 1 9 2841 1 1 5 LYS HG2 H -3.909 5.088 4.186 1.00 . A A . 5 LYS HG2 1 1 9 2842 1 1 5 LYS HG3 H -4.141 5.849 5.761 1.00 . A A . 5 LYS HG3 1 1 9 2843 1 1 5 LYS HZ1 H -8.094 4.291 4.650 1.00 . A A . 5 LYS HZ1 1 1 9 2844 1 1 5 LYS HZ2 H -7.499 5.525 5.644 1.00 . A A . 5 LYS HZ2 1 1 9 2845 1 1 5 LYS HZ3 H -6.668 4.057 5.531 1.00 . A A . 5 LYS HZ3 1 1 9 2846 1 1 5 LYS N N -1.747 7.556 2.434 1.00 . A A . 5 LYS N 1 1 9 2847 1 1 5 LYS NZ N -7.231 4.753 5.001 1.00 . A A . 5 LYS NZ 1 1 9 2848 1 1 5 LYS O O -1.928 4.256 2.682 1.00 . A A . 5 LYS O 1 1 9 2849 1 1 6 PHE C C -3.292 3.784 0.271 1.00 . A A . 6 PHE C 1 1 9 2850 1 1 6 PHE CA C -4.265 4.322 1.295 1.00 . A A . 6 PHE CA 1 1 9 2851 1 1 6 PHE CB C -5.650 4.600 0.712 1.00 . A A . 6 PHE CB 1 1 9 2852 1 1 6 PHE CD1 C -4.847 6.072 -1.173 1.00 . A A . 6 PHE CD1 1 1 9 2853 1 1 6 PHE CD2 C -6.945 6.523 -0.139 1.00 . A A . 6 PHE CD2 1 1 9 2854 1 1 6 PHE CE1 C -5.042 7.135 -2.027 1.00 . A A . 6 PHE CE1 1 1 9 2855 1 1 6 PHE CE2 C -7.146 7.578 -0.987 1.00 . A A . 6 PHE CE2 1 1 9 2856 1 1 6 PHE CG C -5.798 5.758 -0.218 1.00 . A A . 6 PHE CG 1 1 9 2857 1 1 6 PHE CZ C -6.196 7.886 -1.930 1.00 . A A . 6 PHE CZ 1 1 9 2858 1 1 6 PHE H H -4.152 6.308 2.028 1.00 . A A . 6 PHE H 1 1 9 2859 1 1 6 PHE HA H -4.386 3.555 2.036 1.00 . A A . 6 PHE HA 1 1 9 2860 1 1 6 PHE HB2 H -5.974 3.729 0.178 1.00 . A A . 6 PHE HB2 1 1 9 2861 1 1 6 PHE HB3 H -6.323 4.771 1.534 1.00 . A A . 6 PHE HB3 1 1 9 2862 1 1 6 PHE HD1 H -3.952 5.483 -1.249 1.00 . A A . 6 PHE HD1 1 1 9 2863 1 1 6 PHE HD2 H -7.692 6.281 0.603 1.00 . A A . 6 PHE HD2 1 1 9 2864 1 1 6 PHE HE1 H -4.296 7.379 -2.768 1.00 . A A . 6 PHE HE1 1 1 9 2865 1 1 6 PHE HE2 H -8.049 8.168 -0.911 1.00 . A A . 6 PHE HE2 1 1 9 2866 1 1 6 PHE HZ H -6.352 8.715 -2.589 1.00 . A A . 6 PHE HZ 1 1 9 2867 1 1 6 PHE N N -3.694 5.450 2.005 1.00 . A A . 6 PHE N 1 1 9 2868 1 1 6 PHE O O -3.308 2.593 -0.041 1.00 . A A . 6 PHE O 1 1 9 2869 1 1 7 LYS C C -0.451 3.253 -0.367 1.00 . A A . 7 LYS C 1 1 9 2870 1 1 7 LYS CA C -1.386 4.175 -1.130 1.00 . A A . 7 LYS CA 1 1 9 2871 1 1 7 LYS CB C -0.624 5.336 -1.771 1.00 . A A . 7 LYS CB 1 1 9 2872 1 1 7 LYS CD C 1.820 5.051 -1.277 1.00 . A A . 7 LYS CD 1 1 9 2873 1 1 7 LYS CE C 2.473 4.498 -0.019 1.00 . A A . 7 LYS CE 1 1 9 2874 1 1 7 LYS CG C 0.555 5.827 -0.951 1.00 . A A . 7 LYS CG 1 1 9 2875 1 1 7 LYS H H -2.387 5.571 0.101 1.00 . A A . 7 LYS H 1 1 9 2876 1 1 7 LYS HA H -1.882 3.602 -1.898 1.00 . A A . 7 LYS HA 1 1 9 2877 1 1 7 LYS HB2 H -0.254 5.013 -2.733 1.00 . A A . 7 LYS HB2 1 1 9 2878 1 1 7 LYS HB3 H -1.305 6.160 -1.915 1.00 . A A . 7 LYS HB3 1 1 9 2879 1 1 7 LYS HD2 H 1.570 4.230 -1.931 1.00 . A A . 7 LYS HD2 1 1 9 2880 1 1 7 LYS HD3 H 2.517 5.711 -1.772 1.00 . A A . 7 LYS HD3 1 1 9 2881 1 1 7 LYS HE2 H 1.820 4.684 0.824 1.00 . A A . 7 LYS HE2 1 1 9 2882 1 1 7 LYS HE3 H 2.610 3.433 -0.140 1.00 . A A . 7 LYS HE3 1 1 9 2883 1 1 7 LYS HG2 H 0.721 6.872 -1.157 1.00 . A A . 7 LYS HG2 1 1 9 2884 1 1 7 LYS HG3 H 0.325 5.697 0.092 1.00 . A A . 7 LYS HG3 1 1 9 2885 1 1 7 LYS HZ1 H 3.695 5.900 0.934 1.00 . A A . 7 LYS HZ1 1 1 9 2886 1 1 7 LYS HZ2 H 4.185 5.523 -0.640 1.00 . A A . 7 LYS HZ2 1 1 9 2887 1 1 7 LYS HZ3 H 4.461 4.424 0.617 1.00 . A A . 7 LYS HZ3 1 1 9 2888 1 1 7 LYS N N -2.395 4.638 -0.208 1.00 . A A . 7 LYS N 1 1 9 2889 1 1 7 LYS NZ N 3.796 5.130 0.242 1.00 . A A . 7 LYS NZ 1 1 9 2890 1 1 7 LYS O O 0.087 2.300 -0.919 1.00 . A A . 7 LYS O 1 1 9 2891 1 1 8 LYS C C 0.031 1.269 1.717 1.00 . A A . 8 LYS C 1 1 9 2892 1 1 8 LYS CA C 0.534 2.704 1.788 1.00 . A A . 8 LYS CA 1 1 9 2893 1 1 8 LYS CB C 0.541 3.250 3.236 1.00 . A A . 8 LYS CB 1 1 9 2894 1 1 8 LYS CD C -1.482 2.713 4.657 1.00 . A A . 8 LYS CD 1 1 9 2895 1 1 8 LYS CE C -1.996 1.905 5.835 1.00 . A A . 8 LYS CE 1 1 9 2896 1 1 8 LYS CG C -0.058 2.324 4.293 1.00 . A A . 8 LYS CG 1 1 9 2897 1 1 8 LYS H H -0.773 4.298 1.316 1.00 . A A . 8 LYS H 1 1 9 2898 1 1 8 LYS HA H 1.522 2.735 1.401 1.00 . A A . 8 LYS HA 1 1 9 2899 1 1 8 LYS HB2 H 1.564 3.449 3.517 1.00 . A A . 8 LYS HB2 1 1 9 2900 1 1 8 LYS HB3 H -0.003 4.182 3.256 1.00 . A A . 8 LYS HB3 1 1 9 2901 1 1 8 LYS HD2 H -1.508 3.761 4.913 1.00 . A A . 8 LYS HD2 1 1 9 2902 1 1 8 LYS HD3 H -2.122 2.531 3.807 1.00 . A A . 8 LYS HD3 1 1 9 2903 1 1 8 LYS HE2 H -1.849 0.856 5.625 1.00 . A A . 8 LYS HE2 1 1 9 2904 1 1 8 LYS HE3 H -1.432 2.177 6.717 1.00 . A A . 8 LYS HE3 1 1 9 2905 1 1 8 LYS HG2 H -0.062 1.316 3.920 1.00 . A A . 8 LYS HG2 1 1 9 2906 1 1 8 LYS HG3 H 0.553 2.375 5.181 1.00 . A A . 8 LYS HG3 1 1 9 2907 1 1 8 LYS HZ1 H -3.581 2.524 7.049 1.00 . A A . 8 LYS HZ1 1 1 9 2908 1 1 8 LYS HZ2 H -3.979 1.264 5.993 1.00 . A A . 8 LYS HZ2 1 1 9 2909 1 1 8 LYS HZ3 H -3.816 2.841 5.403 1.00 . A A . 8 LYS HZ3 1 1 9 2910 1 1 8 LYS N N -0.296 3.532 0.930 1.00 . A A . 8 LYS N 1 1 9 2911 1 1 8 LYS NZ N -3.443 2.151 6.088 1.00 . A A . 8 LYS NZ 1 1 9 2912 1 1 8 LYS O O 0.802 0.316 1.583 1.00 . A A . 8 LYS O 1 1 9 2913 1 1 9 LYS C C -1.824 -0.694 0.272 1.00 . A A . 9 LYS C 1 1 9 2914 1 1 9 LYS CA C -1.916 -0.165 1.694 1.00 . A A . 9 LYS CA 1 1 9 2915 1 1 9 LYS CB C -3.372 -0.069 2.187 1.00 . A A . 9 LYS CB 1 1 9 2916 1 1 9 LYS CD C -5.142 -1.764 1.592 1.00 . A A . 9 LYS CD 1 1 9 2917 1 1 9 LYS CE C -4.184 -2.943 1.646 1.00 . A A . 9 LYS CE 1 1 9 2918 1 1 9 LYS CG C -4.441 -0.483 1.173 1.00 . A A . 9 LYS CG 1 1 9 2919 1 1 9 LYS H H -1.830 1.943 1.859 1.00 . A A . 9 LYS H 1 1 9 2920 1 1 9 LYS HA H -1.371 -0.832 2.335 1.00 . A A . 9 LYS HA 1 1 9 2921 1 1 9 LYS HB2 H -3.478 -0.698 3.057 1.00 . A A . 9 LYS HB2 1 1 9 2922 1 1 9 LYS HB3 H -3.567 0.954 2.477 1.00 . A A . 9 LYS HB3 1 1 9 2923 1 1 9 LYS HD2 H -5.571 -1.622 2.571 1.00 . A A . 9 LYS HD2 1 1 9 2924 1 1 9 LYS HD3 H -5.925 -1.981 0.881 1.00 . A A . 9 LYS HD3 1 1 9 2925 1 1 9 LYS HE2 H -4.379 -3.589 0.803 1.00 . A A . 9 LYS HE2 1 1 9 2926 1 1 9 LYS HE3 H -3.170 -2.575 1.590 1.00 . A A . 9 LYS HE3 1 1 9 2927 1 1 9 LYS HG2 H -5.176 0.304 1.104 1.00 . A A . 9 LYS HG2 1 1 9 2928 1 1 9 LYS HG3 H -3.984 -0.631 0.208 1.00 . A A . 9 LYS HG3 1 1 9 2929 1 1 9 LYS HZ1 H -3.418 -3.979 3.289 1.00 . A A . 9 LYS HZ1 1 1 9 2930 1 1 9 LYS HZ2 H -4.884 -4.595 2.714 1.00 . A A . 9 LYS HZ2 1 1 9 2931 1 1 9 LYS HZ3 H -4.863 -3.160 3.609 1.00 . A A . 9 LYS HZ3 1 1 9 2932 1 1 9 LYS N N -1.278 1.137 1.776 1.00 . A A . 9 LYS N 1 1 9 2933 1 1 9 LYS NZ N -4.348 -3.724 2.903 1.00 . A A . 9 LYS NZ 1 1 9 2934 1 1 9 LYS O O -1.655 -1.894 0.047 1.00 . A A . 9 LYS O 1 1 9 2935 1 1 10 LEU C C -0.369 -0.442 -2.449 1.00 . A A . 10 LEU C 1 1 9 2936 1 1 10 LEU CA C -1.811 -0.139 -2.085 1.00 . A A . 10 LEU CA 1 1 9 2937 1 1 10 LEU CB C -2.349 0.986 -2.972 1.00 . A A . 10 LEU CB 1 1 9 2938 1 1 10 LEU CD1 C -3.567 1.036 -5.160 1.00 . A A . 10 LEU CD1 1 1 9 2939 1 1 10 LEU CD2 C -1.127 1.549 -5.093 1.00 . A A . 10 LEU CD2 1 1 9 2940 1 1 10 LEU CG C -2.246 0.724 -4.476 1.00 . A A . 10 LEU CG 1 1 9 2941 1 1 10 LEU H H -2.024 1.162 -0.434 1.00 . A A . 10 LEU H 1 1 9 2942 1 1 10 LEU HA H -2.393 -1.029 -2.245 1.00 . A A . 10 LEU HA 1 1 9 2943 1 1 10 LEU HB2 H -3.388 1.148 -2.726 1.00 . A A . 10 LEU HB2 1 1 9 2944 1 1 10 LEU HB3 H -1.797 1.887 -2.747 1.00 . A A . 10 LEU HB3 1 1 9 2945 1 1 10 LEU HD11 H -3.739 2.101 -5.136 1.00 . A A . 10 LEU HD11 1 1 9 2946 1 1 10 LEU HD12 H -4.370 0.530 -4.643 1.00 . A A . 10 LEU HD12 1 1 9 2947 1 1 10 LEU HD13 H -3.530 0.701 -6.186 1.00 . A A . 10 LEU HD13 1 1 9 2948 1 1 10 LEU HD21 H -1.385 1.798 -6.111 1.00 . A A . 10 LEU HD21 1 1 9 2949 1 1 10 LEU HD22 H -0.210 0.980 -5.082 1.00 . A A . 10 LEU HD22 1 1 9 2950 1 1 10 LEU HD23 H -0.994 2.457 -4.523 1.00 . A A . 10 LEU HD23 1 1 9 2951 1 1 10 LEU HG H -2.022 -0.321 -4.636 1.00 . A A . 10 LEU HG 1 1 9 2952 1 1 10 LEU N N -1.910 0.220 -0.682 1.00 . A A . 10 LEU N 1 1 9 2953 1 1 10 LEU O O -0.103 -1.044 -3.479 1.00 . A A . 10 LEU O 1 1 9 2954 1 1 11 LEU C C 2.288 -1.726 -1.518 1.00 . A A . 11 LEU C 1 1 9 2955 1 1 11 LEU CA C 1.974 -0.273 -1.806 1.00 . A A . 11 LEU CA 1 1 9 2956 1 1 11 LEU CB C 2.840 0.660 -0.935 1.00 . A A . 11 LEU CB 1 1 9 2957 1 1 11 LEU CD1 C 4.501 -0.831 0.226 1.00 . A A . 11 LEU CD1 1 1 9 2958 1 1 11 LEU CD2 C 3.633 1.206 1.386 1.00 . A A . 11 LEU CD2 1 1 9 2959 1 1 11 LEU CG C 3.301 0.085 0.412 1.00 . A A . 11 LEU CG 1 1 9 2960 1 1 11 LEU H H 0.268 0.434 -0.774 1.00 . A A . 11 LEU H 1 1 9 2961 1 1 11 LEU HA H 2.177 -0.084 -2.841 1.00 . A A . 11 LEU HA 1 1 9 2962 1 1 11 LEU HB2 H 3.720 0.929 -1.500 1.00 . A A . 11 LEU HB2 1 1 9 2963 1 1 11 LEU HB3 H 2.274 1.559 -0.738 1.00 . A A . 11 LEU HB3 1 1 9 2964 1 1 11 LEU HD11 H 5.043 -0.540 -0.661 1.00 . A A . 11 LEU HD11 1 1 9 2965 1 1 11 LEU HD12 H 4.160 -1.850 0.118 1.00 . A A . 11 LEU HD12 1 1 9 2966 1 1 11 LEU HD13 H 5.150 -0.754 1.089 1.00 . A A . 11 LEU HD13 1 1 9 2967 1 1 11 LEU HD21 H 2.800 1.357 2.057 1.00 . A A . 11 LEU HD21 1 1 9 2968 1 1 11 LEU HD22 H 3.824 2.116 0.839 1.00 . A A . 11 LEU HD22 1 1 9 2969 1 1 11 LEU HD23 H 4.510 0.938 1.959 1.00 . A A . 11 LEU HD23 1 1 9 2970 1 1 11 LEU HG H 2.502 -0.499 0.839 1.00 . A A . 11 LEU HG 1 1 9 2971 1 1 11 LEU N N 0.554 -0.031 -1.584 1.00 . A A . 11 LEU N 1 1 9 2972 1 1 11 LEU O O 3.024 -2.381 -2.256 1.00 . A A . 11 LEU O 1 1 9 2973 1 1 12 LYS C C 1.391 -4.519 -1.193 1.00 . A A . 12 LYS C 1 1 9 2974 1 1 12 LYS CA C 1.870 -3.614 -0.059 1.00 . A A . 12 LYS CA 1 1 9 2975 1 1 12 LYS CB C 1.100 -3.867 1.255 1.00 . A A . 12 LYS CB 1 1 9 2976 1 1 12 LYS CD C -1.277 -4.720 1.065 1.00 . A A . 12 LYS CD 1 1 9 2977 1 1 12 LYS CE C -2.194 -5.908 1.315 1.00 . A A . 12 LYS CE 1 1 9 2978 1 1 12 LYS CG C 0.188 -5.092 1.270 1.00 . A A . 12 LYS CG 1 1 9 2979 1 1 12 LYS H H 1.102 -1.644 0.082 1.00 . A A . 12 LYS H 1 1 9 2980 1 1 12 LYS HA H 2.922 -3.783 0.102 1.00 . A A . 12 LYS HA 1 1 9 2981 1 1 12 LYS HB2 H 1.816 -3.983 2.051 1.00 . A A . 12 LYS HB2 1 1 9 2982 1 1 12 LYS HB3 H 0.491 -2.998 1.463 1.00 . A A . 12 LYS HB3 1 1 9 2983 1 1 12 LYS HD2 H -1.539 -3.926 1.749 1.00 . A A . 12 LYS HD2 1 1 9 2984 1 1 12 LYS HD3 H -1.418 -4.382 0.051 1.00 . A A . 12 LYS HD3 1 1 9 2985 1 1 12 LYS HE2 H -1.700 -6.592 1.991 1.00 . A A . 12 LYS HE2 1 1 9 2986 1 1 12 LYS HE3 H -3.109 -5.553 1.767 1.00 . A A . 12 LYS HE3 1 1 9 2987 1 1 12 LYS HG2 H 0.489 -5.770 0.489 1.00 . A A . 12 LYS HG2 1 1 9 2988 1 1 12 LYS HG3 H 0.288 -5.582 2.227 1.00 . A A . 12 LYS HG3 1 1 9 2989 1 1 12 LYS HZ1 H -3.038 -5.996 -0.598 1.00 . A A . 12 LYS HZ1 1 1 9 2990 1 1 12 LYS HZ2 H -3.122 -7.455 0.253 1.00 . A A . 12 LYS HZ2 1 1 9 2991 1 1 12 LYS HZ3 H -1.652 -6.949 -0.415 1.00 . A A . 12 LYS HZ3 1 1 9 2992 1 1 12 LYS N N 1.694 -2.226 -0.448 1.00 . A A . 12 LYS N 1 1 9 2993 1 1 12 LYS NZ N -2.525 -6.627 0.050 1.00 . A A . 12 LYS NZ 1 1 9 2994 1 1 12 LYS O O 2.147 -5.368 -1.712 1.00 . A A . 12 LYS O 1 1 9 2995 1 1 13 SER C C 0.196 -4.678 -3.987 1.00 . A A . 13 SER C 1 1 9 2996 1 1 13 SER CA C -0.477 -5.028 -2.678 1.00 . A A . 13 SER CA 1 1 9 2997 1 1 13 SER CB C -1.961 -4.686 -2.769 1.00 . A A . 13 SER CB 1 1 9 2998 1 1 13 SER H H -0.372 -3.575 -1.154 1.00 . A A . 13 SER H 1 1 9 2999 1 1 13 SER HA H -0.360 -6.083 -2.485 1.00 . A A . 13 SER HA 1 1 9 3000 1 1 13 SER HB2 H -2.225 -4.034 -1.951 1.00 . A A . 13 SER HB2 1 1 9 3001 1 1 13 SER HB3 H -2.152 -4.180 -3.707 1.00 . A A . 13 SER HB3 1 1 9 3002 1 1 13 SER HG H -3.635 -5.662 -3.048 1.00 . A A . 13 SER HG 1 1 9 3003 1 1 13 SER N N 0.142 -4.290 -1.593 1.00 . A A . 13 SER N 1 1 9 3004 1 1 13 SER O O 0.485 -5.553 -4.804 1.00 . A A . 13 SER O 1 1 9 3005 1 1 13 SER OG O -2.762 -5.854 -2.700 1.00 . A A . 13 SER OG 1 1 9 3006 1 1 14 LEU C C 2.116 -3.912 -5.869 1.00 . A A . 14 LEU C 1 1 9 3007 1 1 14 LEU CA C 1.104 -2.891 -5.372 1.00 . A A . 14 LEU CA 1 1 9 3008 1 1 14 LEU CB C 1.789 -1.554 -5.059 1.00 . A A . 14 LEU CB 1 1 9 3009 1 1 14 LEU CD1 C 3.065 0.123 -6.423 1.00 . A A . 14 LEU CD1 1 1 9 3010 1 1 14 LEU CD2 C 4.291 -1.409 -4.878 1.00 . A A . 14 LEU CD2 1 1 9 3011 1 1 14 LEU CG C 3.093 -1.268 -5.810 1.00 . A A . 14 LEU CG 1 1 9 3012 1 1 14 LEU H H 0.195 -2.738 -3.469 1.00 . A A . 14 LEU H 1 1 9 3013 1 1 14 LEU HA H 0.350 -2.735 -6.130 1.00 . A A . 14 LEU HA 1 1 9 3014 1 1 14 LEU HB2 H 1.091 -0.760 -5.279 1.00 . A A . 14 LEU HB2 1 1 9 3015 1 1 14 LEU HB3 H 2.001 -1.537 -4.001 1.00 . A A . 14 LEU HB3 1 1 9 3016 1 1 14 LEU HD11 H 4.062 0.536 -6.424 1.00 . A A . 14 LEU HD11 1 1 9 3017 1 1 14 LEU HD12 H 2.412 0.759 -5.844 1.00 . A A . 14 LEU HD12 1 1 9 3018 1 1 14 LEU HD13 H 2.702 0.061 -7.437 1.00 . A A . 14 LEU HD13 1 1 9 3019 1 1 14 LEU HD21 H 4.156 -0.768 -4.020 1.00 . A A . 14 LEU HD21 1 1 9 3020 1 1 14 LEU HD22 H 5.190 -1.122 -5.404 1.00 . A A . 14 LEU HD22 1 1 9 3021 1 1 14 LEU HD23 H 4.375 -2.433 -4.552 1.00 . A A . 14 LEU HD23 1 1 9 3022 1 1 14 LEU HG H 3.198 -1.985 -6.608 1.00 . A A . 14 LEU HG 1 1 9 3023 1 1 14 LEU N N 0.449 -3.382 -4.172 1.00 . A A . 14 LEU N 1 1 9 3024 1 1 14 LEU O O 2.034 -4.387 -7.001 1.00 . A A . 14 LEU O 1 1 9 3025 1 1 15 LYS C C 3.667 -6.648 -4.986 1.00 . A A . 15 LYS C 1 1 9 3026 1 1 15 LYS CA C 4.079 -5.222 -5.360 1.00 . A A . 15 LYS CA 1 1 9 3027 1 1 15 LYS CB C 5.408 -4.863 -4.697 1.00 . A A . 15 LYS CB 1 1 9 3028 1 1 15 LYS CD C 7.048 -6.652 -4.022 1.00 . A A . 15 LYS CD 1 1 9 3029 1 1 15 LYS CE C 7.108 -8.103 -4.472 1.00 . A A . 15 LYS CE 1 1 9 3030 1 1 15 LYS CG C 6.566 -5.742 -5.143 1.00 . A A . 15 LYS CG 1 1 9 3031 1 1 15 LYS H H 3.073 -3.848 -4.114 1.00 . A A . 15 LYS H 1 1 9 3032 1 1 15 LYS HA H 4.205 -5.177 -6.432 1.00 . A A . 15 LYS HA 1 1 9 3033 1 1 15 LYS HB2 H 5.649 -3.838 -4.940 1.00 . A A . 15 LYS HB2 1 1 9 3034 1 1 15 LYS HB3 H 5.303 -4.953 -3.626 1.00 . A A . 15 LYS HB3 1 1 9 3035 1 1 15 LYS HD2 H 8.034 -6.339 -3.715 1.00 . A A . 15 LYS HD2 1 1 9 3036 1 1 15 LYS HD3 H 6.367 -6.571 -3.186 1.00 . A A . 15 LYS HD3 1 1 9 3037 1 1 15 LYS HE2 H 7.259 -8.730 -3.606 1.00 . A A . 15 LYS HE2 1 1 9 3038 1 1 15 LYS HE3 H 6.169 -8.360 -4.941 1.00 . A A . 15 LYS HE3 1 1 9 3039 1 1 15 LYS HG2 H 6.241 -6.350 -5.973 1.00 . A A . 15 LYS HG2 1 1 9 3040 1 1 15 LYS HG3 H 7.384 -5.107 -5.458 1.00 . A A . 15 LYS HG3 1 1 9 3041 1 1 15 LYS HZ1 H 8.553 -9.323 -5.360 1.00 . A A . 15 LYS HZ1 1 1 9 3042 1 1 15 LYS HZ2 H 9.005 -7.696 -5.245 1.00 . A A . 15 LYS HZ2 1 1 9 3043 1 1 15 LYS HZ3 H 7.880 -8.181 -6.413 1.00 . A A . 15 LYS HZ3 1 1 9 3044 1 1 15 LYS N N 3.062 -4.254 -5.007 1.00 . A A . 15 LYS N 1 1 9 3045 1 1 15 LYS NZ N 8.214 -8.342 -5.440 1.00 . A A . 15 LYS NZ 1 1 9 3046 1 1 15 LYS O O 3.208 -7.408 -5.839 1.00 . A A . 15 LYS O 1 1 9 3047 1 1 16 ARG C C 2.100 -8.450 -2.671 1.00 . A A . 16 ARG C 1 1 9 3048 1 1 16 ARG CA C 3.493 -8.369 -3.280 1.00 . A A . 16 ARG CA 1 1 9 3049 1 1 16 ARG CB C 4.555 -8.921 -2.318 1.00 . A A . 16 ARG CB 1 1 9 3050 1 1 16 ARG CD C 3.748 -11.301 -2.393 1.00 . A A . 16 ARG CD 1 1 9 3051 1 1 16 ARG CG C 4.931 -10.366 -2.603 1.00 . A A . 16 ARG CG 1 1 9 3052 1 1 16 ARG CZ C 4.357 -12.762 -0.510 1.00 . A A . 16 ARG CZ 1 1 9 3053 1 1 16 ARG H H 4.200 -6.382 -3.057 1.00 . A A . 16 ARG H 1 1 9 3054 1 1 16 ARG HA H 3.492 -8.988 -4.158 1.00 . A A . 16 ARG HA 1 1 9 3055 1 1 16 ARG HB2 H 5.447 -8.318 -2.403 1.00 . A A . 16 ARG HB2 1 1 9 3056 1 1 16 ARG HB3 H 4.188 -8.864 -1.308 1.00 . A A . 16 ARG HB3 1 1 9 3057 1 1 16 ARG HD2 H 2.839 -10.781 -2.655 1.00 . A A . 16 ARG HD2 1 1 9 3058 1 1 16 ARG HD3 H 3.866 -12.162 -3.033 1.00 . A A . 16 ARG HD3 1 1 9 3059 1 1 16 ARG HE H 3.063 -11.246 -0.409 1.00 . A A . 16 ARG HE 1 1 9 3060 1 1 16 ARG HG2 H 5.266 -10.449 -3.626 1.00 . A A . 16 ARG HG2 1 1 9 3061 1 1 16 ARG HG3 H 5.729 -10.656 -1.935 1.00 . A A . 16 ARG HG3 1 1 9 3062 1 1 16 ARG HH11 H 5.186 -13.296 -2.279 1.00 . A A . 16 ARG HH11 1 1 9 3063 1 1 16 ARG HH12 H 5.656 -14.257 -0.919 1.00 . A A . 16 ARG HH12 1 1 9 3064 1 1 16 ARG HH21 H 3.675 -12.505 1.372 1.00 . A A . 16 ARG HH21 1 1 9 3065 1 1 16 ARG HH22 H 4.798 -13.805 1.161 1.00 . A A . 16 ARG HH22 1 1 9 3066 1 1 16 ARG N N 3.845 -7.023 -3.716 1.00 . A A . 16 ARG N 1 1 9 3067 1 1 16 ARG NE N 3.657 -11.747 -1.007 1.00 . A A . 16 ARG NE 1 1 9 3068 1 1 16 ARG NH1 N 5.129 -13.499 -1.302 1.00 . A A . 16 ARG NH1 1 1 9 3069 1 1 16 ARG NH2 N 4.269 -13.049 0.779 1.00 . A A . 16 ARG NH2 1 1 9 3070 1 1 16 ARG O O 1.140 -8.859 -3.323 1.00 . A A . 16 ARG O 1 1 9 3071 1 1 17 LEU C C 1.173 -8.137 0.884 1.00 . A A . 17 LEU C 1 1 9 3072 1 1 17 LEU CA C 0.805 -8.083 -0.601 1.00 . A A . 17 LEU CA 1 1 9 3073 1 1 17 LEU CB C -0.100 -9.274 -0.984 1.00 . A A . 17 LEU CB 1 1 9 3074 1 1 17 LEU CD1 C -1.523 -9.566 1.080 1.00 . A A . 17 LEU CD1 1 1 9 3075 1 1 17 LEU CD2 C -1.077 -11.513 -0.420 1.00 . A A . 17 LEU CD2 1 1 9 3076 1 1 17 LEU CG C -0.509 -10.224 0.152 1.00 . A A . 17 LEU CG 1 1 9 3077 1 1 17 LEU H H 2.853 -7.756 -0.970 1.00 . A A . 17 LEU H 1 1 9 3078 1 1 17 LEU HA H 0.277 -7.163 -0.790 1.00 . A A . 17 LEU HA 1 1 9 3079 1 1 17 LEU HB2 H -1.001 -8.876 -1.429 1.00 . A A . 17 LEU HB2 1 1 9 3080 1 1 17 LEU HB3 H 0.413 -9.856 -1.730 1.00 . A A . 17 LEU HB3 1 1 9 3081 1 1 17 LEU HD11 H -1.318 -9.854 2.100 1.00 . A A . 17 LEU HD11 1 1 9 3082 1 1 17 LEU HD12 H -2.517 -9.889 0.809 1.00 . A A . 17 LEU HD12 1 1 9 3083 1 1 17 LEU HD13 H -1.457 -8.492 0.986 1.00 . A A . 17 LEU HD13 1 1 9 3084 1 1 17 LEU HD21 H -1.289 -12.201 0.385 1.00 . A A . 17 LEU HD21 1 1 9 3085 1 1 17 LEU HD22 H -0.361 -11.957 -1.096 1.00 . A A . 17 LEU HD22 1 1 9 3086 1 1 17 LEU HD23 H -1.990 -11.295 -0.955 1.00 . A A . 17 LEU HD23 1 1 9 3087 1 1 17 LEU HG H 0.366 -10.476 0.734 1.00 . A A . 17 LEU HG 1 1 9 3088 1 1 17 LEU N N 2.031 -8.063 -1.399 1.00 . A A . 17 LEU N 1 1 9 3089 1 1 17 LEU O O 0.398 -7.733 1.747 1.00 . A A . 17 LEU O 1 1 9 3090 1 1 18 GLY C C 4.336 -8.981 2.621 1.00 . A A . 18 GLY C 1 1 9 3091 1 1 18 GLY CA C 2.840 -8.724 2.539 1.00 . A A . 18 GLY CA 1 1 9 3092 1 1 18 GLY H H 2.954 -8.934 0.443 1.00 . A A . 18 GLY H 1 1 9 3093 1 1 18 GLY HA2 H 2.613 -7.797 3.044 1.00 . A A . 18 GLY HA2 1 1 9 3094 1 1 18 GLY HA3 H 2.318 -9.530 3.031 1.00 . A A . 18 GLY HA3 1 1 9 3095 1 1 18 GLY N N 2.376 -8.633 1.169 1.00 . A A . 18 GLY N 1 1 9 3096 1 1 18 GLY O O 5.048 -8.285 3.342 1.00 . A A . 18 GLY O 1 1 10 3097 1 1 1 ALA C C -3.978 11.710 5.257 1.00 . A A . 1 ALA C 1 1 10 3098 1 1 1 ALA CA C -2.717 12.521 5.536 1.00 . A A . 1 ALA CA 1 1 10 3099 1 1 1 ALA CB C -2.412 12.535 7.027 1.00 . A A . 1 ALA CB 1 1 10 3100 1 1 1 ALA H1 H -3.331 14.473 5.762 1.00 . A A . 1 ALA H1 1 1 10 3101 1 1 1 ALA H2 H -3.424 13.875 4.156 1.00 . A A . 1 ALA H2 1 1 10 3102 1 1 1 ALA H3 H -1.901 14.277 4.838 1.00 . A A . 1 ALA H3 1 1 10 3103 1 1 1 ALA HA H -1.885 12.056 5.028 1.00 . A A . 1 ALA HA 1 1 10 3104 1 1 1 ALA HB1 H -1.811 13.400 7.264 1.00 . A A . 1 ALA HB1 1 1 10 3105 1 1 1 ALA HB2 H -1.871 11.638 7.291 1.00 . A A . 1 ALA HB2 1 1 10 3106 1 1 1 ALA HB3 H -3.336 12.575 7.585 1.00 . A A . 1 ALA HB3 1 1 10 3107 1 1 1 ALA N N -2.855 13.912 5.028 1.00 . A A . 1 ALA N 1 1 10 3108 1 1 1 ALA O O -4.989 11.864 5.942 1.00 . A A . 1 ALA O 1 1 10 3109 1 1 2 LEU C C -4.718 9.139 2.661 1.00 . A A . 2 LEU C 1 1 10 3110 1 1 2 LEU CA C -5.040 10.004 3.873 1.00 . A A . 2 LEU CA 1 1 10 3111 1 1 2 LEU CB C -6.268 10.860 3.565 1.00 . A A . 2 LEU CB 1 1 10 3112 1 1 2 LEU CD1 C -7.846 9.074 4.342 1.00 . A A . 2 LEU CD1 1 1 10 3113 1 1 2 LEU CD2 C -8.705 11.010 3.011 1.00 . A A . 2 LEU CD2 1 1 10 3114 1 1 2 LEU CG C -7.531 10.069 3.236 1.00 . A A . 2 LEU CG 1 1 10 3115 1 1 2 LEU H H -3.073 10.768 3.745 1.00 . A A . 2 LEU H 1 1 10 3116 1 1 2 LEU HA H -5.264 9.362 4.701 1.00 . A A . 2 LEU HA 1 1 10 3117 1 1 2 LEU HB2 H -6.472 11.490 4.416 1.00 . A A . 2 LEU HB2 1 1 10 3118 1 1 2 LEU HB3 H -6.036 11.488 2.718 1.00 . A A . 2 LEU HB3 1 1 10 3119 1 1 2 LEU HD11 H -8.916 8.942 4.416 1.00 . A A . 2 LEU HD11 1 1 10 3120 1 1 2 LEU HD12 H -7.463 9.447 5.281 1.00 . A A . 2 LEU HD12 1 1 10 3121 1 1 2 LEU HD13 H -7.382 8.125 4.117 1.00 . A A . 2 LEU HD13 1 1 10 3122 1 1 2 LEU HD21 H -9.012 11.435 3.956 1.00 . A A . 2 LEU HD21 1 1 10 3123 1 1 2 LEU HD22 H -9.530 10.460 2.580 1.00 . A A . 2 LEU HD22 1 1 10 3124 1 1 2 LEU HD23 H -8.409 11.801 2.339 1.00 . A A . 2 LEU HD23 1 1 10 3125 1 1 2 LEU HG H -7.365 9.515 2.324 1.00 . A A . 2 LEU HG 1 1 10 3126 1 1 2 LEU N N -3.907 10.844 4.248 1.00 . A A . 2 LEU N 1 1 10 3127 1 1 2 LEU O O -4.518 7.936 2.768 1.00 . A A . 2 LEU O 1 1 10 3128 1 1 3 TYR C C -3.034 8.465 0.256 1.00 . A A . 3 TYR C 1 1 10 3129 1 1 3 TYR CA C -4.422 9.037 0.267 1.00 . A A . 3 TYR CA 1 1 10 3130 1 1 3 TYR CB C -4.654 9.958 -0.919 1.00 . A A . 3 TYR CB 1 1 10 3131 1 1 3 TYR CD1 C -6.982 10.061 -0.060 1.00 . A A . 3 TYR CD1 1 1 10 3132 1 1 3 TYR CD2 C -6.198 11.899 -1.343 1.00 . A A . 3 TYR CD2 1 1 10 3133 1 1 3 TYR CE1 C -8.187 10.664 0.112 1.00 . A A . 3 TYR CE1 1 1 10 3134 1 1 3 TYR CE2 C -7.411 12.528 -1.177 1.00 . A A . 3 TYR CE2 1 1 10 3135 1 1 3 TYR CG C -5.970 10.656 -0.788 1.00 . A A . 3 TYR CG 1 1 10 3136 1 1 3 TYR CZ C -8.411 11.908 -0.447 1.00 . A A . 3 TYR CZ 1 1 10 3137 1 1 3 TYR H H -4.877 10.713 1.475 1.00 . A A . 3 TYR H 1 1 10 3138 1 1 3 TYR HA H -5.118 8.221 0.235 1.00 . A A . 3 TYR HA 1 1 10 3139 1 1 3 TYR HB2 H -3.873 10.704 -0.955 1.00 . A A . 3 TYR HB2 1 1 10 3140 1 1 3 TYR HB3 H -4.658 9.389 -1.834 1.00 . A A . 3 TYR HB3 1 1 10 3141 1 1 3 TYR HD1 H -6.808 9.095 0.383 1.00 . A A . 3 TYR HD1 1 1 10 3142 1 1 3 TYR HD2 H -5.415 12.374 -1.913 1.00 . A A . 3 TYR HD2 1 1 10 3143 1 1 3 TYR HE1 H -8.941 10.159 0.688 1.00 . A A . 3 TYR HE1 1 1 10 3144 1 1 3 TYR HE2 H -7.569 13.497 -1.612 1.00 . A A . 3 TYR HE2 1 1 10 3145 1 1 3 TYR HH H -9.933 12.399 0.622 1.00 . A A . 3 TYR HH 1 1 10 3146 1 1 3 TYR N N -4.693 9.756 1.504 1.00 . A A . 3 TYR N 1 1 10 3147 1 1 3 TYR O O -2.738 7.516 -0.469 1.00 . A A . 3 TYR O 1 1 10 3148 1 1 3 TYR OH O -9.626 12.530 -0.278 1.00 . A A . 3 TYR OH 1 1 10 3149 1 1 4 LYS C C -0.968 7.284 2.128 1.00 . A A . 4 LYS C 1 1 10 3150 1 1 4 LYS CA C -0.875 8.511 1.249 1.00 . A A . 4 LYS CA 1 1 10 3151 1 1 4 LYS CB C 0.052 9.587 1.819 1.00 . A A . 4 LYS CB 1 1 10 3152 1 1 4 LYS CD C -1.315 11.669 1.490 1.00 . A A . 4 LYS CD 1 1 10 3153 1 1 4 LYS CE C -2.506 12.408 2.082 1.00 . A A . 4 LYS CE 1 1 10 3154 1 1 4 LYS CG C -0.661 10.742 2.508 1.00 . A A . 4 LYS CG 1 1 10 3155 1 1 4 LYS H H -2.527 9.718 1.692 1.00 . A A . 4 LYS H 1 1 10 3156 1 1 4 LYS HA H -0.533 8.208 0.279 1.00 . A A . 4 LYS HA 1 1 10 3157 1 1 4 LYS HB2 H 0.718 9.133 2.527 1.00 . A A . 4 LYS HB2 1 1 10 3158 1 1 4 LYS HB3 H 0.623 9.997 1.003 1.00 . A A . 4 LYS HB3 1 1 10 3159 1 1 4 LYS HD2 H -0.588 12.390 1.157 1.00 . A A . 4 LYS HD2 1 1 10 3160 1 1 4 LYS HD3 H -1.653 11.080 0.648 1.00 . A A . 4 LYS HD3 1 1 10 3161 1 1 4 LYS HE2 H -3.369 11.756 2.055 1.00 . A A . 4 LYS HE2 1 1 10 3162 1 1 4 LYS HE3 H -2.282 12.663 3.106 1.00 . A A . 4 LYS HE3 1 1 10 3163 1 1 4 LYS HG2 H -1.417 10.345 3.163 1.00 . A A . 4 LYS HG2 1 1 10 3164 1 1 4 LYS HG3 H 0.060 11.304 3.084 1.00 . A A . 4 LYS HG3 1 1 10 3165 1 1 4 LYS HZ1 H -2.459 13.580 0.354 1.00 . A A . 4 LYS HZ1 1 1 10 3166 1 1 4 LYS HZ2 H -2.372 14.471 1.789 1.00 . A A . 4 LYS HZ2 1 1 10 3167 1 1 4 LYS HZ3 H -3.847 13.805 1.298 1.00 . A A . 4 LYS HZ3 1 1 10 3168 1 1 4 LYS N N -2.209 9.006 1.106 1.00 . A A . 4 LYS N 1 1 10 3169 1 1 4 LYS NZ N -2.817 13.653 1.328 1.00 . A A . 4 LYS NZ 1 1 10 3170 1 1 4 LYS O O -0.220 6.324 1.997 1.00 . A A . 4 LYS O 1 1 10 3171 1 1 5 LYS C C -2.662 4.997 2.992 1.00 . A A . 5 LYS C 1 1 10 3172 1 1 5 LYS CA C -2.261 6.192 3.834 1.00 . A A . 5 LYS CA 1 1 10 3173 1 1 5 LYS CB C -3.408 6.572 4.773 1.00 . A A . 5 LYS CB 1 1 10 3174 1 1 5 LYS CD C -5.840 6.012 4.376 1.00 . A A . 5 LYS CD 1 1 10 3175 1 1 5 LYS CE C -6.707 4.875 3.866 1.00 . A A . 5 LYS CE 1 1 10 3176 1 1 5 LYS CG C -4.491 5.508 4.885 1.00 . A A . 5 LYS CG 1 1 10 3177 1 1 5 LYS H H -2.570 8.076 2.992 1.00 . A A . 5 LYS H 1 1 10 3178 1 1 5 LYS HA H -1.389 5.955 4.401 1.00 . A A . 5 LYS HA 1 1 10 3179 1 1 5 LYS HB2 H -3.011 6.759 5.758 1.00 . A A . 5 LYS HB2 1 1 10 3180 1 1 5 LYS HB3 H -3.867 7.480 4.397 1.00 . A A . 5 LYS HB3 1 1 10 3181 1 1 5 LYS HD2 H -6.357 6.508 5.184 1.00 . A A . 5 LYS HD2 1 1 10 3182 1 1 5 LYS HD3 H -5.676 6.712 3.570 1.00 . A A . 5 LYS HD3 1 1 10 3183 1 1 5 LYS HE2 H -7.248 5.219 2.993 1.00 . A A . 5 LYS HE2 1 1 10 3184 1 1 5 LYS HE3 H -6.067 4.050 3.588 1.00 . A A . 5 LYS HE3 1 1 10 3185 1 1 5 LYS HG2 H -4.193 4.651 4.299 1.00 . A A . 5 LYS HG2 1 1 10 3186 1 1 5 LYS HG3 H -4.588 5.220 5.919 1.00 . A A . 5 LYS HG3 1 1 10 3187 1 1 5 LYS HZ1 H -8.573 4.130 4.436 1.00 . A A . 5 LYS HZ1 1 1 10 3188 1 1 5 LYS HZ2 H -7.880 5.181 5.566 1.00 . A A . 5 LYS HZ2 1 1 10 3189 1 1 5 LYS HZ3 H -7.296 3.601 5.412 1.00 . A A . 5 LYS HZ3 1 1 10 3190 1 1 5 LYS N N -1.973 7.304 2.977 1.00 . A A . 5 LYS N 1 1 10 3191 1 1 5 LYS NZ N -7.682 4.414 4.891 1.00 . A A . 5 LYS NZ 1 1 10 3192 1 1 5 LYS O O -2.147 3.880 3.148 1.00 . A A . 5 LYS O 1 1 10 3193 1 1 6 PHE C C -3.095 3.659 0.309 1.00 . A A . 6 PHE C 1 1 10 3194 1 1 6 PHE CA C -4.100 4.113 1.332 1.00 . A A . 6 PHE CA 1 1 10 3195 1 1 6 PHE CB C -5.507 4.300 0.751 1.00 . A A . 6 PHE CB 1 1 10 3196 1 1 6 PHE CD1 C -4.776 5.879 -1.075 1.00 . A A . 6 PHE CD1 1 1 10 3197 1 1 6 PHE CD2 C -6.931 6.149 -0.095 1.00 . A A . 6 PHE CD2 1 1 10 3198 1 1 6 PHE CE1 C -5.025 6.949 -1.909 1.00 . A A . 6 PHE CE1 1 1 10 3199 1 1 6 PHE CE2 C -7.183 7.215 -0.924 1.00 . A A . 6 PHE CE2 1 1 10 3200 1 1 6 PHE CG C -5.727 5.470 -0.157 1.00 . A A . 6 PHE CG 1 1 10 3201 1 1 6 PHE CZ C -6.232 7.616 -1.830 1.00 . A A . 6 PHE CZ 1 1 10 3202 1 1 6 PHE H H -4.038 6.097 2.053 1.00 . A A . 6 PHE H 1 1 10 3203 1 1 6 PHE HA H -4.151 3.322 2.040 1.00 . A A . 6 PHE HA 1 1 10 3204 1 1 6 PHE HB2 H -5.764 3.419 0.193 1.00 . A A . 6 PHE HB2 1 1 10 3205 1 1 6 PHE HB3 H -6.196 4.400 1.572 1.00 . A A . 6 PHE HB3 1 1 10 3206 1 1 6 PHE HD1 H -3.836 5.359 -1.136 1.00 . A A . 6 PHE HD1 1 1 10 3207 1 1 6 PHE HD2 H -7.681 5.834 0.617 1.00 . A A . 6 PHE HD2 1 1 10 3208 1 1 6 PHE HE1 H -4.278 7.263 -2.622 1.00 . A A . 6 PHE HE1 1 1 10 3209 1 1 6 PHE HE2 H -8.126 7.737 -0.863 1.00 . A A . 6 PHE HE2 1 1 10 3210 1 1 6 PHE HZ H -6.427 8.452 -2.471 1.00 . A A . 6 PHE HZ 1 1 10 3211 1 1 6 PHE N N -3.629 5.214 2.122 1.00 . A A . 6 PHE N 1 1 10 3212 1 1 6 PHE O O -3.147 2.511 -0.133 1.00 . A A . 6 PHE O 1 1 10 3213 1 1 7 LYS C C -0.260 3.030 -0.094 1.00 . A A . 7 LYS C 1 1 10 3214 1 1 7 LYS CA C -1.088 4.025 -0.899 1.00 . A A . 7 LYS CA 1 1 10 3215 1 1 7 LYS CB C -0.251 5.151 -1.517 1.00 . A A . 7 LYS CB 1 1 10 3216 1 1 7 LYS CD C 1.982 5.772 -0.571 1.00 . A A . 7 LYS CD 1 1 10 3217 1 1 7 LYS CE C 2.594 5.929 0.802 1.00 . A A . 7 LYS CE 1 1 10 3218 1 1 7 LYS CG C 0.486 6.010 -0.521 1.00 . A A . 7 LYS CG 1 1 10 3219 1 1 7 LYS H H -2.051 5.376 0.414 1.00 . A A . 7 LYS H 1 1 10 3220 1 1 7 LYS HA H -1.583 3.480 -1.689 1.00 . A A . 7 LYS HA 1 1 10 3221 1 1 7 LYS HB2 H 0.474 4.712 -2.183 1.00 . A A . 7 LYS HB2 1 1 10 3222 1 1 7 LYS HB3 H -0.908 5.788 -2.089 1.00 . A A . 7 LYS HB3 1 1 10 3223 1 1 7 LYS HD2 H 2.167 4.770 -0.926 1.00 . A A . 7 LYS HD2 1 1 10 3224 1 1 7 LYS HD3 H 2.433 6.488 -1.243 1.00 . A A . 7 LYS HD3 1 1 10 3225 1 1 7 LYS HE2 H 1.801 5.886 1.536 1.00 . A A . 7 LYS HE2 1 1 10 3226 1 1 7 LYS HE3 H 3.281 5.114 0.968 1.00 . A A . 7 LYS HE3 1 1 10 3227 1 1 7 LYS HG2 H 0.291 7.046 -0.745 1.00 . A A . 7 LYS HG2 1 1 10 3228 1 1 7 LYS HG3 H 0.128 5.777 0.464 1.00 . A A . 7 LYS HG3 1 1 10 3229 1 1 7 LYS HZ1 H 3.486 7.430 1.951 1.00 . A A . 7 LYS HZ1 1 1 10 3230 1 1 7 LYS HZ2 H 2.766 7.992 0.527 1.00 . A A . 7 LYS HZ2 1 1 10 3231 1 1 7 LYS HZ3 H 4.241 7.167 0.459 1.00 . A A . 7 LYS HZ3 1 1 10 3232 1 1 7 LYS N N -2.116 4.494 -0.009 1.00 . A A . 7 LYS N 1 1 10 3233 1 1 7 LYS NZ N 3.323 7.219 0.945 1.00 . A A . 7 LYS NZ 1 1 10 3234 1 1 7 LYS O O 0.376 2.138 -0.650 1.00 . A A . 7 LYS O 1 1 10 3235 1 1 8 LYS C C -0.151 0.819 1.773 1.00 . A A . 8 LYS C 1 1 10 3236 1 1 8 LYS CA C 0.307 2.198 2.154 1.00 . A A . 8 LYS CA 1 1 10 3237 1 1 8 LYS CB C -0.084 2.395 3.638 1.00 . A A . 8 LYS CB 1 1 10 3238 1 1 8 LYS CD C 1.070 4.595 3.320 1.00 . A A . 8 LYS CD 1 1 10 3239 1 1 8 LYS CE C 2.522 4.166 3.158 1.00 . A A . 8 LYS CE 1 1 10 3240 1 1 8 LYS CG C 0.345 3.700 4.286 1.00 . A A . 8 LYS CG 1 1 10 3241 1 1 8 LYS H H -0.924 3.856 1.631 1.00 . A A . 8 LYS H 1 1 10 3242 1 1 8 LYS HA H 1.363 2.276 2.036 1.00 . A A . 8 LYS HA 1 1 10 3243 1 1 8 LYS HB2 H -1.155 2.327 3.721 1.00 . A A . 8 LYS HB2 1 1 10 3244 1 1 8 LYS HB3 H 0.350 1.586 4.209 1.00 . A A . 8 LYS HB3 1 1 10 3245 1 1 8 LYS HD2 H 0.569 4.545 2.365 1.00 . A A . 8 LYS HD2 1 1 10 3246 1 1 8 LYS HD3 H 1.038 5.605 3.691 1.00 . A A . 8 LYS HD3 1 1 10 3247 1 1 8 LYS HE2 H 2.730 3.371 3.859 1.00 . A A . 8 LYS HE2 1 1 10 3248 1 1 8 LYS HE3 H 2.669 3.802 2.152 1.00 . A A . 8 LYS HE3 1 1 10 3249 1 1 8 LYS HG2 H -0.530 4.216 4.647 1.00 . A A . 8 LYS HG2 1 1 10 3250 1 1 8 LYS HG3 H 0.999 3.476 5.117 1.00 . A A . 8 LYS HG3 1 1 10 3251 1 1 8 LYS HZ1 H 2.954 6.198 3.390 1.00 . A A . 8 LYS HZ1 1 1 10 3252 1 1 8 LYS HZ2 H 4.210 5.307 2.687 1.00 . A A . 8 LYS HZ2 1 1 10 3253 1 1 8 LYS HZ3 H 3.908 5.180 4.348 1.00 . A A . 8 LYS HZ3 1 1 10 3254 1 1 8 LYS N N -0.355 3.147 1.252 1.00 . A A . 8 LYS N 1 1 10 3255 1 1 8 LYS NZ N 3.465 5.291 3.413 1.00 . A A . 8 LYS NZ 1 1 10 3256 1 1 8 LYS O O 0.623 -0.037 1.351 1.00 . A A . 8 LYS O 1 1 10 3257 1 1 9 LYS C C -1.901 -0.951 0.121 1.00 . A A . 9 LYS C 1 1 10 3258 1 1 9 LYS CA C -2.073 -0.635 1.598 1.00 . A A . 9 LYS CA 1 1 10 3259 1 1 9 LYS CB C -3.556 -0.605 1.971 1.00 . A A . 9 LYS CB 1 1 10 3260 1 1 9 LYS CD C -4.315 -2.996 1.934 1.00 . A A . 9 LYS CD 1 1 10 3261 1 1 9 LYS CE C -5.453 -2.695 0.971 1.00 . A A . 9 LYS CE 1 1 10 3262 1 1 9 LYS CG C -3.997 -1.794 2.807 1.00 . A A . 9 LYS CG 1 1 10 3263 1 1 9 LYS H H -1.997 1.388 2.264 1.00 . A A . 9 LYS H 1 1 10 3264 1 1 9 LYS HA H -1.578 -1.402 2.166 1.00 . A A . 9 LYS HA 1 1 10 3265 1 1 9 LYS HB2 H -3.755 0.298 2.531 1.00 . A A . 9 LYS HB2 1 1 10 3266 1 1 9 LYS HB3 H -4.143 -0.591 1.065 1.00 . A A . 9 LYS HB3 1 1 10 3267 1 1 9 LYS HD2 H -3.434 -3.258 1.366 1.00 . A A . 9 LYS HD2 1 1 10 3268 1 1 9 LYS HD3 H -4.597 -3.825 2.567 1.00 . A A . 9 LYS HD3 1 1 10 3269 1 1 9 LYS HE2 H -5.857 -1.721 1.203 1.00 . A A . 9 LYS HE2 1 1 10 3270 1 1 9 LYS HE3 H -5.062 -2.689 -0.036 1.00 . A A . 9 LYS HE3 1 1 10 3271 1 1 9 LYS HG2 H -3.203 -2.056 3.492 1.00 . A A . 9 LYS HG2 1 1 10 3272 1 1 9 LYS HG3 H -4.881 -1.521 3.366 1.00 . A A . 9 LYS HG3 1 1 10 3273 1 1 9 LYS HZ1 H -6.222 -4.535 1.595 1.00 . A A . 9 LYS HZ1 1 1 10 3274 1 1 9 LYS HZ2 H -6.829 -4.007 0.107 1.00 . A A . 9 LYS HZ2 1 1 10 3275 1 1 9 LYS HZ3 H -7.372 -3.294 1.542 1.00 . A A . 9 LYS HZ3 1 1 10 3276 1 1 9 LYS N N -1.446 0.634 1.925 1.00 . A A . 9 LYS N 1 1 10 3277 1 1 9 LYS NZ N -6.544 -3.704 1.060 1.00 . A A . 9 LYS NZ 1 1 10 3278 1 1 9 LYS O O -1.801 -2.113 -0.272 1.00 . A A . 9 LYS O 1 1 10 3279 1 1 10 LEU C C -0.201 -0.336 -2.455 1.00 . A A . 10 LEU C 1 1 10 3280 1 1 10 LEU CA C -1.667 -0.095 -2.125 1.00 . A A . 10 LEU CA 1 1 10 3281 1 1 10 LEU CB C -2.189 1.112 -2.899 1.00 . A A . 10 LEU CB 1 1 10 3282 1 1 10 LEU CD1 C -3.509 1.022 -5.033 1.00 . A A . 10 LEU CD1 1 1 10 3283 1 1 10 LEU CD2 C -1.233 2.068 -5.012 1.00 . A A . 10 LEU CD2 1 1 10 3284 1 1 10 LEU CG C -2.115 0.977 -4.422 1.00 . A A . 10 LEU CG 1 1 10 3285 1 1 10 LEU H H -1.919 0.992 -0.325 1.00 . A A . 10 LEU H 1 1 10 3286 1 1 10 LEU HA H -2.227 -0.968 -2.414 1.00 . A A . 10 LEU HA 1 1 10 3287 1 1 10 LEU HB2 H -3.220 1.277 -2.617 1.00 . A A . 10 LEU HB2 1 1 10 3288 1 1 10 LEU HB3 H -1.612 1.973 -2.610 1.00 . A A . 10 LEU HB3 1 1 10 3289 1 1 10 LEU HD11 H -3.967 0.048 -4.956 1.00 . A A . 10 LEU HD11 1 1 10 3290 1 1 10 LEU HD12 H -3.437 1.303 -6.074 1.00 . A A . 10 LEU HD12 1 1 10 3291 1 1 10 LEU HD13 H -4.112 1.746 -4.505 1.00 . A A . 10 LEU HD13 1 1 10 3292 1 1 10 LEU HD21 H -1.842 2.919 -5.283 1.00 . A A . 10 LEU HD21 1 1 10 3293 1 1 10 LEU HD22 H -0.732 1.690 -5.890 1.00 . A A . 10 LEU HD22 1 1 10 3294 1 1 10 LEU HD23 H -0.497 2.371 -4.281 1.00 . A A . 10 LEU HD23 1 1 10 3295 1 1 10 LEU HG H -1.675 0.020 -4.666 1.00 . A A . 10 LEU HG 1 1 10 3296 1 1 10 LEU N N -1.849 0.087 -0.694 1.00 . A A . 10 LEU N 1 1 10 3297 1 1 10 LEU O O 0.141 -0.631 -3.596 1.00 . A A . 10 LEU O 1 1 10 3298 1 1 11 LEU C C 2.401 -1.922 -1.460 1.00 . A A . 11 LEU C 1 1 10 3299 1 1 11 LEU CA C 2.084 -0.445 -1.628 1.00 . A A . 11 LEU CA 1 1 10 3300 1 1 11 LEU CB C 2.911 0.414 -0.656 1.00 . A A . 11 LEU CB 1 1 10 3301 1 1 11 LEU CD1 C 4.488 -1.149 0.521 1.00 . A A . 11 LEU CD1 1 1 10 3302 1 1 11 LEU CD2 C 3.531 0.811 1.744 1.00 . A A . 11 LEU CD2 1 1 10 3303 1 1 11 LEU CG C 3.273 -0.245 0.681 1.00 . A A . 11 LEU CG 1 1 10 3304 1 1 11 LEU H H 0.318 0.006 -0.557 1.00 . A A . 11 LEU H 1 1 10 3305 1 1 11 LEU HA H 2.324 -0.166 -2.635 1.00 . A A . 11 LEU HA 1 1 10 3306 1 1 11 LEU HB2 H 3.829 0.690 -1.153 1.00 . A A . 11 LEU HB2 1 1 10 3307 1 1 11 LEU HB3 H 2.356 1.315 -0.446 1.00 . A A . 11 LEU HB3 1 1 10 3308 1 1 11 LEU HD11 H 4.161 -2.167 0.362 1.00 . A A . 11 LEU HD11 1 1 10 3309 1 1 11 LEU HD12 H 5.091 -1.102 1.416 1.00 . A A . 11 LEU HD12 1 1 10 3310 1 1 11 LEU HD13 H 5.073 -0.822 -0.325 1.00 . A A . 11 LEU HD13 1 1 10 3311 1 1 11 LEU HD21 H 3.690 1.770 1.270 1.00 . A A . 11 LEU HD21 1 1 10 3312 1 1 11 LEU HD22 H 4.409 0.540 2.313 1.00 . A A . 11 LEU HD22 1 1 10 3313 1 1 11 LEU HD23 H 2.679 0.871 2.403 1.00 . A A . 11 LEU HD23 1 1 10 3314 1 1 11 LEU HG H 2.447 -0.853 1.010 1.00 . A A . 11 LEU HG 1 1 10 3315 1 1 11 LEU N N 0.656 -0.222 -1.444 1.00 . A A . 11 LEU N 1 1 10 3316 1 1 11 LEU O O 3.185 -2.493 -2.219 1.00 . A A . 11 LEU O 1 1 10 3317 1 1 12 LYS C C 1.411 -4.730 -1.437 1.00 . A A . 12 LYS C 1 1 10 3318 1 1 12 LYS CA C 1.946 -3.962 -0.237 1.00 . A A . 12 LYS CA 1 1 10 3319 1 1 12 LYS CB C 1.245 -4.376 1.075 1.00 . A A . 12 LYS CB 1 1 10 3320 1 1 12 LYS CD C -1.210 -4.923 0.880 1.00 . A A . 12 LYS CD 1 1 10 3321 1 1 12 LYS CE C -2.211 -5.968 0.410 1.00 . A A . 12 LYS CE 1 1 10 3322 1 1 12 LYS CG C 0.201 -5.488 0.951 1.00 . A A . 12 LYS CG 1 1 10 3323 1 1 12 LYS H H 1.125 -2.030 0.074 1.00 . A A . 12 LYS H 1 1 10 3324 1 1 12 LYS HA H 3.008 -4.147 -0.149 1.00 . A A . 12 LYS HA 1 1 10 3325 1 1 12 LYS HB2 H 1.999 -4.709 1.771 1.00 . A A . 12 LYS HB2 1 1 10 3326 1 1 12 LYS HB3 H 0.757 -3.504 1.488 1.00 . A A . 12 LYS HB3 1 1 10 3327 1 1 12 LYS HD2 H -1.500 -4.582 1.863 1.00 . A A . 12 LYS HD2 1 1 10 3328 1 1 12 LYS HD3 H -1.220 -4.094 0.192 1.00 . A A . 12 LYS HD3 1 1 10 3329 1 1 12 LYS HE2 H -1.792 -6.493 -0.435 1.00 . A A . 12 LYS HE2 1 1 10 3330 1 1 12 LYS HE3 H -2.385 -6.666 1.216 1.00 . A A . 12 LYS HE3 1 1 10 3331 1 1 12 LYS HG2 H 0.394 -6.064 0.059 1.00 . A A . 12 LYS HG2 1 1 10 3332 1 1 12 LYS HG3 H 0.277 -6.131 1.815 1.00 . A A . 12 LYS HG3 1 1 10 3333 1 1 12 LYS HZ1 H -3.355 -4.410 -0.381 1.00 . A A . 12 LYS HZ1 1 1 10 3334 1 1 12 LYS HZ2 H -4.144 -5.291 0.828 1.00 . A A . 12 LYS HZ2 1 1 10 3335 1 1 12 LYS HZ3 H -3.968 -5.950 -0.719 1.00 . A A . 12 LYS HZ3 1 1 10 3336 1 1 12 LYS N N 1.758 -2.539 -0.480 1.00 . A A . 12 LYS N 1 1 10 3337 1 1 12 LYS NZ N -3.510 -5.362 0.007 1.00 . A A . 12 LYS NZ 1 1 10 3338 1 1 12 LYS O O 2.066 -5.640 -1.966 1.00 . A A . 12 LYS O 1 1 10 3339 1 1 13 SER C C 0.284 -4.500 -4.302 1.00 . A A . 13 SER C 1 1 10 3340 1 1 13 SER CA C -0.422 -4.926 -3.027 1.00 . A A . 13 SER CA 1 1 10 3341 1 1 13 SER CB C -1.897 -4.529 -3.083 1.00 . A A . 13 SER CB 1 1 10 3342 1 1 13 SER H H -0.223 -3.576 -1.416 1.00 . A A . 13 SER H 1 1 10 3343 1 1 13 SER HA H -0.345 -5.995 -2.931 1.00 . A A . 13 SER HA 1 1 10 3344 1 1 13 SER HB2 H -2.349 -4.690 -2.114 1.00 . A A . 13 SER HB2 1 1 10 3345 1 1 13 SER HB3 H -1.975 -3.484 -3.347 1.00 . A A . 13 SER HB3 1 1 10 3346 1 1 13 SER HG H -2.468 -6.233 -3.864 1.00 . A A . 13 SER HG 1 1 10 3347 1 1 13 SER N N 0.223 -4.322 -1.875 1.00 . A A . 13 SER N 1 1 10 3348 1 1 13 SER O O 0.322 -5.245 -5.280 1.00 . A A . 13 SER O 1 1 10 3349 1 1 13 SER OG O -2.596 -5.298 -4.046 1.00 . A A . 13 SER OG 1 1 10 3350 1 1 14 LEU C C 2.576 -3.839 -5.915 1.00 . A A . 14 LEU C 1 1 10 3351 1 1 14 LEU CA C 1.591 -2.787 -5.428 1.00 . A A . 14 LEU CA 1 1 10 3352 1 1 14 LEU CB C 2.316 -1.489 -5.044 1.00 . A A . 14 LEU CB 1 1 10 3353 1 1 14 LEU CD1 C 4.358 -1.528 -6.516 1.00 . A A . 14 LEU CD1 1 1 10 3354 1 1 14 LEU CD2 C 4.423 -0.347 -4.312 1.00 . A A . 14 LEU CD2 1 1 10 3355 1 1 14 LEU CG C 3.849 -1.526 -5.082 1.00 . A A . 14 LEU CG 1 1 10 3356 1 1 14 LEU H H 0.812 -2.753 -3.463 1.00 . A A . 14 LEU H 1 1 10 3357 1 1 14 LEU HA H 0.879 -2.579 -6.213 1.00 . A A . 14 LEU HA 1 1 10 3358 1 1 14 LEU HB2 H 1.981 -0.706 -5.705 1.00 . A A . 14 LEU HB2 1 1 10 3359 1 1 14 LEU HB3 H 2.018 -1.237 -4.041 1.00 . A A . 14 LEU HB3 1 1 10 3360 1 1 14 LEU HD11 H 5.183 -0.836 -6.608 1.00 . A A . 14 LEU HD11 1 1 10 3361 1 1 14 LEU HD12 H 3.563 -1.229 -7.182 1.00 . A A . 14 LEU HD12 1 1 10 3362 1 1 14 LEU HD13 H 4.691 -2.522 -6.778 1.00 . A A . 14 LEU HD13 1 1 10 3363 1 1 14 LEU HD21 H 3.932 0.563 -4.628 1.00 . A A . 14 LEU HD21 1 1 10 3364 1 1 14 LEU HD22 H 5.484 -0.272 -4.509 1.00 . A A . 14 LEU HD22 1 1 10 3365 1 1 14 LEU HD23 H 4.262 -0.495 -3.254 1.00 . A A . 14 LEU HD23 1 1 10 3366 1 1 14 LEU HG H 4.190 -2.431 -4.603 1.00 . A A . 14 LEU HG 1 1 10 3367 1 1 14 LEU N N 0.864 -3.300 -4.279 1.00 . A A . 14 LEU N 1 1 10 3368 1 1 14 LEU O O 2.638 -4.155 -7.103 1.00 . A A . 14 LEU O 1 1 10 3369 1 1 15 LYS C C 3.739 -6.801 -5.156 1.00 . A A . 15 LYS C 1 1 10 3370 1 1 15 LYS CA C 4.324 -5.395 -5.293 1.00 . A A . 15 LYS CA 1 1 10 3371 1 1 15 LYS CB C 5.555 -5.234 -4.398 1.00 . A A . 15 LYS CB 1 1 10 3372 1 1 15 LYS CD C 6.996 -7.220 -3.852 1.00 . A A . 15 LYS CD 1 1 10 3373 1 1 15 LYS CE C 7.799 -8.340 -4.494 1.00 . A A . 15 LYS CE 1 1 10 3374 1 1 15 LYS CG C 6.741 -6.083 -4.829 1.00 . A A . 15 LYS CG 1 1 10 3375 1 1 15 LYS H H 3.243 -4.080 -4.046 1.00 . A A . 15 LYS H 1 1 10 3376 1 1 15 LYS HA H 4.623 -5.249 -6.320 1.00 . A A . 15 LYS HA 1 1 10 3377 1 1 15 LYS HB2 H 5.860 -4.199 -4.414 1.00 . A A . 15 LYS HB2 1 1 10 3378 1 1 15 LYS HB3 H 5.292 -5.505 -3.388 1.00 . A A . 15 LYS HB3 1 1 10 3379 1 1 15 LYS HD2 H 7.545 -6.837 -3.006 1.00 . A A . 15 LYS HD2 1 1 10 3380 1 1 15 LYS HD3 H 6.047 -7.614 -3.520 1.00 . A A . 15 LYS HD3 1 1 10 3381 1 1 15 LYS HE2 H 7.373 -8.564 -5.461 1.00 . A A . 15 LYS HE2 1 1 10 3382 1 1 15 LYS HE3 H 8.819 -8.006 -4.619 1.00 . A A . 15 LYS HE3 1 1 10 3383 1 1 15 LYS HG2 H 6.539 -6.497 -5.805 1.00 . A A . 15 LYS HG2 1 1 10 3384 1 1 15 LYS HG3 H 7.618 -5.456 -4.876 1.00 . A A . 15 LYS HG3 1 1 10 3385 1 1 15 LYS HZ1 H 8.706 -10.062 -3.736 1.00 . A A . 15 LYS HZ1 1 1 10 3386 1 1 15 LYS HZ2 H 7.041 -10.218 -3.984 1.00 . A A . 15 LYS HZ2 1 1 10 3387 1 1 15 LYS HZ3 H 7.619 -9.332 -2.664 1.00 . A A . 15 LYS HZ3 1 1 10 3388 1 1 15 LYS N N 3.344 -4.376 -4.977 1.00 . A A . 15 LYS N 1 1 10 3389 1 1 15 LYS NZ N 7.790 -9.574 -3.662 1.00 . A A . 15 LYS NZ 1 1 10 3390 1 1 15 LYS O O 3.354 -7.418 -6.149 1.00 . A A . 15 LYS O 1 1 10 3391 1 1 16 ARG C C 1.659 -8.615 -3.339 1.00 . A A . 16 ARG C 1 1 10 3392 1 1 16 ARG CA C 3.145 -8.640 -3.681 1.00 . A A . 16 ARG CA 1 1 10 3393 1 1 16 ARG CB C 3.957 -9.353 -2.592 1.00 . A A . 16 ARG CB 1 1 10 3394 1 1 16 ARG CD C 2.981 -11.653 -2.782 1.00 . A A . 16 ARG CD 1 1 10 3395 1 1 16 ARG CG C 4.238 -10.811 -2.916 1.00 . A A . 16 ARG CG 1 1 10 3396 1 1 16 ARG CZ C 3.261 -13.094 -0.793 1.00 . A A . 16 ARG CZ 1 1 10 3397 1 1 16 ARG H H 3.986 -6.771 -3.159 1.00 . A A . 16 ARG H 1 1 10 3398 1 1 16 ARG HA H 3.257 -9.191 -4.595 1.00 . A A . 16 ARG HA 1 1 10 3399 1 1 16 ARG HB2 H 4.903 -8.845 -2.474 1.00 . A A . 16 ARG HB2 1 1 10 3400 1 1 16 ARG HB3 H 3.420 -9.313 -1.660 1.00 . A A . 16 ARG HB3 1 1 10 3401 1 1 16 ARG HD2 H 2.142 -11.078 -3.148 1.00 . A A . 16 ARG HD2 1 1 10 3402 1 1 16 ARG HD3 H 3.091 -12.545 -3.379 1.00 . A A . 16 ARG HD3 1 1 10 3403 1 1 16 ARG HE H 2.123 -11.457 -0.875 1.00 . A A . 16 ARG HE 1 1 10 3404 1 1 16 ARG HG2 H 4.604 -10.882 -3.931 1.00 . A A . 16 ARG HG2 1 1 10 3405 1 1 16 ARG HG3 H 4.987 -11.184 -2.233 1.00 . A A . 16 ARG HG3 1 1 10 3406 1 1 16 ARG HH11 H 4.282 -13.736 -2.422 1.00 . A A . 16 ARG HH11 1 1 10 3407 1 1 16 ARG HH12 H 4.470 -14.705 -0.999 1.00 . A A . 16 ARG HH12 1 1 10 3408 1 1 16 ARG HH21 H 2.374 -12.730 0.986 1.00 . A A . 16 ARG HH21 1 1 10 3409 1 1 16 ARG HH22 H 3.389 -14.134 0.937 1.00 . A A . 16 ARG HH22 1 1 10 3410 1 1 16 ARG N N 3.678 -7.307 -3.922 1.00 . A A . 16 ARG N 1 1 10 3411 1 1 16 ARG NE N 2.723 -12.032 -1.394 1.00 . A A . 16 ARG NE 1 1 10 3412 1 1 16 ARG NH1 N 4.070 -13.913 -1.461 1.00 . A A . 16 ARG NH1 1 1 10 3413 1 1 16 ARG NH2 N 2.985 -13.341 0.481 1.00 . A A . 16 ARG NH2 1 1 10 3414 1 1 16 ARG O O 0.813 -8.865 -4.197 1.00 . A A . 16 ARG O 1 1 10 3415 1 1 17 LEU C C -0.008 -8.584 -0.046 1.00 . A A . 17 LEU C 1 1 10 3416 1 1 17 LEU CA C -0.002 -8.244 -1.538 1.00 . A A . 17 LEU CA 1 1 10 3417 1 1 17 LEU CB C -0.953 -9.185 -2.308 1.00 . A A . 17 LEU CB 1 1 10 3418 1 1 17 LEU CD1 C -3.015 -9.240 -0.852 1.00 . A A . 17 LEU CD1 1 1 10 3419 1 1 17 LEU CD2 C -2.441 -11.204 -2.295 1.00 . A A . 17 LEU CD2 1 1 10 3420 1 1 17 LEU CG C -1.885 -10.063 -1.456 1.00 . A A . 17 LEU CG 1 1 10 3421 1 1 17 LEU H H 2.114 -8.119 -1.469 1.00 . A A . 17 LEU H 1 1 10 3422 1 1 17 LEU HA H -0.346 -7.229 -1.650 1.00 . A A . 17 LEU HA 1 1 10 3423 1 1 17 LEU HB2 H -1.564 -8.578 -2.960 1.00 . A A . 17 LEU HB2 1 1 10 3424 1 1 17 LEU HB3 H -0.354 -9.839 -2.918 1.00 . A A . 17 LEU HB3 1 1 10 3425 1 1 17 LEU HD11 H -2.934 -9.251 0.226 1.00 . A A . 17 LEU HD11 1 1 10 3426 1 1 17 LEU HD12 H -3.967 -9.664 -1.144 1.00 . A A . 17 LEU HD12 1 1 10 3427 1 1 17 LEU HD13 H -2.954 -8.222 -1.207 1.00 . A A . 17 LEU HD13 1 1 10 3428 1 1 17 LEU HD21 H -2.690 -12.036 -1.653 1.00 . A A . 17 LEU HD21 1 1 10 3429 1 1 17 LEU HD22 H -1.698 -11.516 -3.016 1.00 . A A . 17 LEU HD22 1 1 10 3430 1 1 17 LEU HD23 H -3.328 -10.871 -2.815 1.00 . A A . 17 LEU HD23 1 1 10 3431 1 1 17 LEU HG H -1.320 -10.495 -0.645 1.00 . A A . 17 LEU HG 1 1 10 3432 1 1 17 LEU N N 1.370 -8.309 -2.073 1.00 . A A . 17 LEU N 1 1 10 3433 1 1 17 LEU O O -0.930 -8.225 0.680 1.00 . A A . 17 LEU O 1 1 10 3434 1 1 18 GLY C C 2.520 -10.048 2.211 1.00 . A A . 18 GLY C 1 1 10 3435 1 1 18 GLY CA C 1.114 -9.655 1.804 1.00 . A A . 18 GLY CA 1 1 10 3436 1 1 18 GLY H H 1.734 -9.547 -0.214 1.00 . A A . 18 GLY H 1 1 10 3437 1 1 18 GLY HA2 H 0.796 -8.819 2.408 1.00 . A A . 18 GLY HA2 1 1 10 3438 1 1 18 GLY HA3 H 0.452 -10.489 1.986 1.00 . A A . 18 GLY HA3 1 1 10 3439 1 1 18 GLY N N 1.027 -9.282 0.405 1.00 . A A . 18 GLY N 1 1 10 3440 1 1 18 GLY O O 3.039 -9.554 3.209 1.00 . A A . 18 GLY O 1 1 stop_ save_
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