NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
450507 | 2rm0 | 11008 | cing | 4-filtered-FRED | STAR | entry | full | 302 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2rm0 # This FRED archive file contains, for PDB entry <2rm0>: # # - 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_2rm0 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2rm0 _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 5282.80 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 $Transcription_elongation_regulator_1 A . 1 1 2 . 2 $Formin_1 B . 1 1 stop_ save_ save_Transcription_elongation_regulator_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Transcription elongation regulator 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GATAVSEWTEYKTADGKTYYYNNRTLESTWEKPQELK _Entity.Number_of_monomers 37 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 GLY . 1 1 2 ALA . 1 1 3 THR . 1 1 4 ALA . 1 1 5 VAL . 1 1 6 SER . 1 1 7 GLU . 1 1 8 TRP . 1 1 9 THR . 1 1 10 GLU . 1 1 11 TYR . 1 1 12 LYS . 1 1 13 THR . 1 1 14 ALA . 1 1 15 ASP . 1 1 16 GLY . 1 1 17 LYS . 1 1 18 THR . 1 1 19 TYR . 1 1 20 TYR . 1 1 21 TYR . 1 1 22 ASN . 1 1 23 ASN . 1 1 24 ARG . 1 1 25 THR . 1 1 26 LEU . 1 1 27 GLU . 1 1 28 SER . 1 1 29 THR . 1 1 30 TRP . 1 1 31 GLU . 1 1 32 LYS . 1 1 33 PRO . 1 1 34 GLN . 1 1 35 GLU . 1 1 36 LEU . 1 1 37 LYS . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 ALA 2 2 1 1 THR 3 3 1 1 ALA 4 4 1 1 VAL 5 5 1 1 SER 6 6 1 1 GLU 7 7 1 1 TRP 8 8 1 1 THR 9 9 1 1 GLU 10 10 1 1 TYR 11 11 1 1 LYS 12 12 1 1 THR 13 13 1 1 ALA 14 14 1 1 ASP 15 15 1 1 GLY 16 16 1 1 LYS 17 17 1 1 THR 18 18 1 1 TYR 19 19 1 1 TYR 20 20 1 1 TYR 21 21 1 1 ASN 22 22 1 1 ASN 23 23 1 1 ARG 24 24 1 1 THR 25 25 1 1 LEU 26 26 1 1 GLU 27 27 1 1 SER 28 28 1 1 THR 29 29 1 1 TRP 30 30 1 1 GLU 31 31 1 1 LYS 32 32 1 1 PRO 33 33 1 1 GLN 34 34 1 1 GLU 35 35 1 1 LEU 36 36 1 1 LYS 37 37 1 1 stop_ save_ save_Formin_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "Formin 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code PPPLIPPPP _Entity.Number_of_monomers 9 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 PRO . 1 2 2 PRO . 1 2 3 PRO . 1 2 4 LEU . 1 2 5 ILE . 1 2 6 PRO . 1 2 7 PRO . 1 2 8 PRO . 1 2 9 PRO . 1 2 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 PRO 1 1 1 2 PRO 2 2 1 2 PRO 3 3 1 2 LEU 4 4 1 2 ILE 5 5 1 2 PRO 6 6 1 2 PRO 7 7 1 2 PRO 8 8 1 2 PRO 9 9 1 2 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 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 12 LYS HA . 12 . HA 1 1 1 1 2 1 1 13 THR H . 13 . HN 1 1 2 1 1 1 1 12 LYS HA . 12 . HA 1 1 2 1 2 1 1 19 TYR H . 19 . HN 1 1 3 1 1 1 1 28 SER HA . 28 . HA 1 1 3 1 2 1 1 29 THR H . 29 . HN 1 1 4 1 1 1 1 22 ASN H . 22 . HN 1 1 4 1 2 1 1 28 SER HA . 28 . HA 1 1 5 1 1 1 1 21 TYR HA . 21 . HA 1 1 5 1 2 1 1 22 ASN H . 22 . HN 1 1 6 1 1 1 1 20 TYR HA . 20 . HA 1 1 6 1 2 1 1 21 TYR H . 21 . HN 1 1 7 1 1 1 1 11 TYR H . 11 . HN 1 1 7 1 2 1 1 20 TYR HA . 20 . HA 1 1 8 1 1 1 1 11 TYR HA . 11 . HA 1 1 8 1 2 1 1 12 LYS H . 12 . HN 1 1 9 1 1 1 1 19 TYR HA . 19 . HA 1 1 9 1 2 1 1 20 TYR H . 20 . HN 1 1 10 1 1 1 1 18 THR HA . 18 . HA 1 1 10 1 2 1 1 19 TYR H . 19 . HN 1 1 11 1 1 1 1 8 TRP HA . 8 . HA 1 1 11 1 2 1 1 9 THR H . 9 . HN 1 1 12 1 1 1 1 9 THR H . 9 . HN 1 1 12 1 2 1 1 22 ASN HA . 22 . HA 1 1 13 1 1 1 1 9 THR HB . 9 . HB 1 1 13 1 2 1 1 10 GLU H . 10 . HN 1 1 14 1 1 1 1 9 THR HA . 9 . HA 1 1 14 1 2 1 1 10 GLU H . 10 . HN 1 1 15 1 1 1 1 10 GLU HA . 10 . HA 1 1 15 1 2 1 1 11 TYR H . 11 . HN 1 1 16 1 1 1 1 10 GLU HA . 10 . HA 1 1 16 1 2 1 1 21 TYR H . 21 . HN 1 1 17 1 1 1 1 28 SER QB . 28 . HB2 1 1 17 1 2 1 1 29 THR H . 29 . HN 1 1 18 1 1 1 1 8 TRP HA . 8 . HA 1 1 18 1 2 1 1 23 ASN H . 23 . HN 1 1 19 1 1 1 1 22 ASN HA . 22 . HA 1 1 19 1 2 1 1 23 ASN H . 23 . HN 1 1 20 1 1 1 1 23 ASN HA . 23 . HA 1 1 20 1 2 1 1 24 ARG H . 24 . HN 1 1 21 1 1 1 1 24 ARG HA . 24 . HA 1 1 21 1 2 1 1 25 THR H . 25 . HN 1 1 22 1 1 1 1 25 THR HA . 25 . HA 1 1 22 1 2 1 1 26 LEU H . 26 . HN 1 1 23 1 1 1 1 36 LEU HA . 36 . HA 1 1 23 1 2 1 1 37 LYS H . 37 . HN 1 1 24 1 1 1 1 26 LEU HA . 26 . HA 1 1 24 1 2 1 1 27 GLU H . 27 . HN 1 1 25 1 1 1 1 29 THR HA . 29 . HA 1 1 25 1 2 1 1 30 TRP H . 30 . HN 1 1 26 1 1 1 1 17 LYS HA . 17 . HA 1 1 26 1 2 1 1 18 THR H . 18 . HN 1 1 27 1 1 1 1 6 SER HA . 6 . HA 1 1 27 1 2 1 1 7 GLU H . 7 . HN 1 1 28 1 1 1 1 7 GLU HA . 7 . HA 1 1 28 1 2 1 1 8 TRP H . 8 . HN 1 1 29 1 1 1 1 6 SER QB . 6 . HB2 1 1 29 1 2 1 1 7 GLU H . 7 . HN 1 1 30 1 1 1 1 5 VAL HA . 5 . HA 1 1 30 1 2 1 1 6 SER H . 6 . HN 1 1 31 1 1 1 1 4 ALA HA . 4 . HA 1 1 31 1 2 1 1 5 VAL H . 5 . HN 1 1 32 1 1 1 1 6 SER QB . 6 . HB1 1 1 32 1 2 1 1 8 TRP H . 8 . HN 1 1 33 1 1 1 1 6 SER HA . 6 . HA 1 1 33 1 2 1 1 8 TRP H . 8 . HN 1 1 34 1 1 1 1 13 THR HB . 13 . HB 1 1 34 1 2 1 1 14 ALA H . 14 . HN 1 1 35 1 1 1 1 27 GLU HA . 27 . HA 1 1 35 1 2 1 1 28 SER H . 28 . HN 1 1 36 1 1 1 1 30 TRP QB . 30 . HB2 1 1 36 1 2 1 1 31 GLU H . 31 . HN 1 1 37 1 1 1 1 13 THR HA . 13 . HA 1 1 37 1 2 1 1 14 ALA H . 14 . HN 1 1 38 1 1 1 1 13 THR H . 13 . HN 1 1 38 1 2 1 1 18 THR HA . 18 . HA 1 1 39 1 1 1 1 14 ALA HA . 14 . HA 1 1 39 1 2 1 1 15 ASP H . 15 . HN 1 1 40 1 1 1 1 15 ASP HA . 15 . HA 1 1 40 1 2 1 1 16 GLY H . 16 . HN 1 1 41 1 1 1 1 34 GLN HA . 34 . HA 1 1 41 1 2 1 1 35 GLU H . 35 . HN 1 1 42 1 1 1 1 33 PRO HA . 33 . HA 1 1 42 1 2 1 1 35 GLU H . 35 . HN 1 1 43 1 1 1 1 33 PRO HA . 33 . HA 1 1 43 1 2 1 1 34 GLN H . 34 . HN 1 1 44 1 1 1 1 35 GLU HA . 35 . HA 1 1 44 1 2 1 1 36 LEU H . 36 . HN 1 1 45 1 1 1 1 4 ALA MB . 4 . HB# 1 1 45 1 2 1 1 5 VAL H . 5 . HN 1 1 46 1 1 1 1 5 VAL QG . 5 . HG1# 1 1 46 1 2 1 1 6 SER H . 6 . HN 1 1 47 1 1 1 1 7 GLU QB . 7 . HB1 1 1 47 1 2 1 1 8 TRP H . 8 . HN 1 1 48 1 1 1 1 5 VAL HB . 5 . HB 1 1 48 1 2 1 1 6 SER H . 6 . HN 1 1 49 1 1 1 1 8 TRP QB . 8 . HB2 1 1 49 1 2 1 1 9 THR H . 9 . HN 1 1 50 1 1 1 1 9 THR MG . 9 . HG2# 1 1 50 1 2 1 1 10 GLU H . 10 . HN 1 1 51 1 1 1 1 10 GLU QB . 10 . HB2 1 1 51 1 2 1 1 11 TYR H . 11 . HN 1 1 52 1 1 1 1 11 TYR QB . 11 . HB2 1 1 52 1 2 1 1 12 LYS H . 12 . HN 1 1 53 1 1 1 1 11 TYR HA . 11 . HA 1 1 53 1 2 1 1 11 TYR QE . 11 . HE# 1 1 54 1 1 1 1 9 THR MG . 9 . HG2# 1 1 54 1 2 1 1 11 TYR QD . 11 . HD# 1 1 55 1 1 1 1 9 THR MG . 9 . HG2# 1 1 55 1 2 1 1 11 TYR QE . 11 . HE# 1 1 56 1 1 1 1 12 LYS QG . 12 . HG2 1 1 56 1 2 1 1 13 THR H . 13 . HN 1 1 57 1 1 1 1 12 LYS QB . 12 . HB2 1 1 57 1 2 1 1 13 THR H . 13 . HN 1 1 58 1 1 1 1 12 LYS HA . 12 . HA 1 1 58 1 2 1 1 13 THR MG . 13 . HG2# 1 1 59 1 1 1 1 14 ALA MB . 14 . HB# 1 1 59 1 2 1 1 15 ASP H . 15 . HN 1 1 60 1 1 1 1 15 ASP QB . 15 . HB2 1 1 60 1 2 1 1 16 GLY H . 16 . HN 1 1 61 1 1 1 1 16 GLY QA . 16 . HA2 1 1 61 1 2 1 1 17 LYS H . 17 . HN 1 1 62 1 1 1 1 17 LYS QB . 17 . HB2 1 1 62 1 2 1 1 18 THR H . 18 . HN 1 1 63 1 1 1 1 17 LYS QG . 17 . HG2 1 1 63 1 2 1 1 18 THR H . 18 . HN 1 1 64 1 1 1 1 18 THR MG . 18 . HG2# 1 1 64 1 2 1 1 19 TYR H . 19 . HN 1 1 65 1 1 1 1 19 TYR QB . 19 . HB2 1 1 65 1 2 1 1 20 TYR H . 20 . HN 1 1 66 1 1 1 1 19 TYR QE . 19 . HE# 1 1 66 1 2 1 1 27 GLU QG . 27 . HG2 1 1 67 1 1 1 1 20 TYR QB . 20 . HB2 1 1 67 1 2 1 1 21 TYR H . 21 . HN 1 1 68 1 1 1 1 20 TYR HA . 20 . HA 1 1 68 1 2 1 1 20 TYR QE . 20 . HE# 1 1 69 1 1 1 1 21 TYR QB . 21 . HB2 1 1 69 1 2 1 1 22 ASN H . 22 . HN 1 1 70 1 1 1 1 21 TYR HA . 21 . HA 1 1 70 1 2 1 1 21 TYR QE . 21 . HE# 1 1 71 1 1 1 1 22 ASN QB . 22 . HB2 1 1 71 1 2 1 1 23 ASN H . 23 . HN 1 1 72 1 1 1 1 23 ASN QB . 23 . HB2 1 1 72 1 2 1 1 24 ARG H . 24 . HN 1 1 73 1 1 1 1 24 ARG QG . 24 . HG1 1 1 73 1 2 1 1 25 THR H . 25 . HN 1 1 74 1 1 1 1 24 ARG QB . 24 . HB1 1 1 74 1 2 1 1 25 THR H . 25 . HN 1 1 75 1 1 1 1 29 THR MG . 29 . HG2# 1 1 75 1 2 1 1 30 TRP H . 30 . HN 1 1 76 1 1 1 1 25 THR MG . 25 . HG2# 1 1 76 1 2 1 1 26 LEU H . 26 . HN 1 1 77 1 1 1 1 26 LEU QD . 26 . HD2# 1 1 77 1 2 1 1 27 GLU H . 27 . HN 1 1 78 1 1 1 1 27 GLU QG . 27 . HG2 1 1 78 1 2 1 1 28 SER H . 28 . HN 1 1 79 1 1 1 1 27 GLU QB . 27 . HB2 1 1 79 1 2 1 1 28 SER H . 28 . HN 1 1 80 1 1 1 1 27 GLU H . 27 . HN 1 1 80 1 2 1 1 28 SER H . 28 . HN 1 1 81 1 1 1 1 26 LEU H . 26 . HN 1 1 81 1 2 1 1 27 GLU H . 27 . HN 1 1 82 1 1 1 1 25 THR H . 25 . HN 1 1 82 1 2 1 1 26 LEU H . 26 . HN 1 1 83 1 1 1 1 24 ARG H . 24 . HN 1 1 83 1 2 1 1 25 THR H . 25 . HN 1 1 84 1 1 1 1 24 ARG H . 24 . HN 1 1 84 1 2 1 1 26 LEU H . 26 . HN 1 1 85 1 1 1 1 20 TYR H . 20 . HN 1 1 85 1 2 1 1 29 THR H . 29 . HN 1 1 86 1 1 1 1 34 GLN H . 34 . HN 1 1 86 1 2 1 1 35 GLU H . 35 . HN 1 1 87 1 1 1 1 35 GLU H . 35 . HN 1 1 87 1 2 1 1 36 LEU H . 36 . HN 1 1 88 1 1 1 1 36 LEU H . 36 . HN 1 1 88 1 2 1 1 37 LYS H . 37 . HN 1 1 89 1 1 1 1 16 GLY H . 16 . HN 1 1 89 1 2 1 1 17 LYS H . 17 . HN 1 1 90 1 1 1 1 9 THR H . 9 . HN 1 1 90 1 2 1 1 21 TYR H . 21 . HN 1 1 91 1 1 1 1 31 GLU HA . 31 . HA 1 1 91 1 2 1 1 32 LYS H . 32 . HN 1 1 92 1 1 1 1 31 GLU QG . 31 . HG2 1 1 92 1 2 1 1 32 LYS H . 32 . HN 1 1 93 1 1 1 1 31 GLU QB . 31 . HB2 1 1 93 1 2 1 1 32 LYS H . 32 . HN 1 1 94 1 1 1 1 33 PRO QB . 33 . HB1 1 1 94 1 2 1 1 34 GLN H . 34 . HN 1 1 95 1 1 1 1 33 PRO QB . 33 . HB1 1 1 95 1 2 1 1 35 GLU H . 35 . HN 1 1 96 1 1 1 1 34 GLN QB . 34 . HB2 1 1 96 1 2 1 1 35 GLU H . 35 . HN 1 1 97 1 1 1 1 32 LYS HA . 32 . HA 1 1 97 1 2 1 1 33 PRO QD . 33 . HD1 1 1 98 1 1 1 1 35 GLU QG . 35 . HG2 1 1 98 1 2 1 1 36 LEU H . 36 . HN 1 1 99 1 1 1 1 35 GLU QB . 35 . HB2 1 1 99 1 2 1 1 36 LEU H . 36 . HN 1 1 100 1 1 1 1 36 LEU QB . 36 . HB1 1 1 100 1 2 1 1 37 LYS H . 37 . HN 1 1 101 1 1 1 1 36 LEU HG . 36 . HG 1 1 101 1 2 1 1 37 LYS H . 37 . HN 1 1 102 1 1 1 1 13 THR HB . 13 . HB 1 1 102 1 2 1 1 19 TYR QE . 19 . HE# 1 1 103 1 1 1 1 19 TYR QE . 19 . HE# 1 1 103 1 2 1 1 21 TYR QB . 21 . HB2 1 1 104 1 1 1 1 11 TYR QB . 11 . HB2 1 1 104 1 2 1 1 19 TYR QE . 19 . HE# 1 1 105 1 1 1 1 13 THR MG . 13 . HG2# 1 1 105 1 2 1 1 19 TYR QE . 19 . HE# 1 1 106 1 1 1 1 11 TYR QE . 11 . HE# 1 1 106 1 2 1 1 13 THR MG . 13 . HG2# 1 1 107 1 1 1 1 11 TYR QE . 11 . HE# 1 1 107 1 2 1 1 21 TYR QB . 21 . HB2 1 1 108 1 1 1 1 9 THR HB . 9 . HB 1 1 108 1 2 1 1 11 TYR QE . 11 . HE# 1 1 109 1 1 1 1 9 THR HB . 9 . HB 1 1 109 1 2 1 1 11 TYR QD . 11 . HD# 1 1 110 1 1 1 1 11 TYR QD . 11 . HD# 1 1 110 1 2 1 1 21 TYR QB . 21 . HB2 1 1 111 1 1 1 1 20 TYR QD . 20 . HD# 1 1 111 1 2 1 1 31 GLU HA . 31 . HA 1 1 112 1 1 1 1 20 TYR QE . 20 . HE# 1 1 112 1 2 1 1 31 GLU HA . 31 . HA 1 1 113 1 1 1 1 21 TYR QE . 21 . HE# 1 1 113 1 2 1 1 23 ASN HA . 23 . HA 1 1 114 1 1 1 1 21 TYR QE . 21 . HE# 1 1 114 1 2 1 1 26 LEU HA . 26 . HA 1 1 115 1 1 1 1 21 TYR QE . 21 . HE# 1 1 115 1 2 1 1 28 SER QB . 28 . HB2 1 1 116 1 1 1 1 19 TYR QD . 19 . HD# 1 1 116 1 2 1 1 28 SER QB . 28 . HB2 1 1 117 1 1 1 1 19 TYR QE . 19 . HE# 1 1 117 1 2 1 1 28 SER QB . 28 . HB2 1 1 118 1 1 1 1 19 TYR QD . 19 . HD# 1 1 118 1 2 1 1 21 TYR QB . 21 . HB2 1 1 119 1 1 1 1 13 THR MG . 13 . HG2# 1 1 119 1 2 1 1 19 TYR QD . 19 . HD# 1 1 120 1 1 1 1 11 TYR QB . 11 . HB1 1 1 120 1 2 1 1 19 TYR QD . 19 . HD# 1 1 121 1 1 1 1 9 THR MG . 9 . HG2# 1 1 121 1 2 1 1 19 TYR QD . 19 . HD# 1 1 122 1 1 1 1 20 TYR QD . 20 . HD# 1 1 122 1 2 1 1 31 GLU QG . 31 . HG2 1 1 123 1 1 1 1 20 TYR QD . 20 . HD# 1 1 123 1 2 1 1 31 GLU QB . 31 . HB2 1 1 124 1 1 1 1 20 TYR QD . 20 . HD# 1 1 124 1 2 1 1 36 LEU QB . 36 . HB2 1 1 125 1 1 1 1 20 TYR QD . 20 . HD# 1 1 125 1 2 1 1 29 THR MG . 29 . HG2# 1 1 126 1 1 1 1 18 THR MG . 18 . HG2# 1 1 126 1 2 1 1 20 TYR QD . 20 . HD# 1 1 127 1 1 1 1 20 TYR QD . 20 . HD# 1 1 127 1 2 1 1 36 LEU QD . 36 . HD2# 1 1 128 1 1 1 1 20 TYR QE . 20 . HE# 1 1 128 1 2 1 1 36 LEU QB . 36 . HB2 1 1 129 1 1 1 1 18 THR MG . 18 . HG2# 1 1 129 1 2 1 1 20 TYR QE . 20 . HE# 1 1 130 1 1 1 1 20 TYR QE . 20 . HE# 1 1 130 1 2 1 1 36 LEU QD . 36 . HD2# 1 1 131 1 1 1 1 20 TYR QE . 20 . HE# 1 1 131 1 2 1 1 31 GLU QB . 31 . HB2 1 1 132 1 1 1 1 20 TYR QE . 20 . HE# 1 1 132 1 2 1 1 31 GLU QG . 31 . HG2 1 1 133 1 1 1 1 20 TYR QE . 20 . HE# 1 1 133 1 2 1 1 29 THR MG . 29 . HG2# 1 1 134 1 1 1 1 21 TYR QE . 21 . HE# 1 1 134 1 2 1 1 26 LEU QB . 26 . HB1 1 1 135 1 1 1 1 21 TYR QE . 21 . HE# 1 1 135 1 2 1 1 23 ASN QB . 23 . HB2 1 1 136 1 1 1 1 20 TYR QE . 20 . HE# 1 1 136 1 2 1 1 32 LYS QG . 32 . HG2 1 1 137 1 1 1 1 20 TYR QD . 20 . HD# 1 1 137 1 2 1 1 32 LYS QG . 32 . HG2 1 1 138 1 1 1 1 19 TYR QE . 19 . HE# 1 1 138 1 2 1 1 21 TYR QD . 21 . HD# 1 1 139 1 1 1 1 11 TYR QD . 11 . HD# 1 1 139 1 2 1 1 19 TYR QE . 19 . HE# 1 1 140 1 1 1 1 19 TYR QD . 19 . HD# 1 1 140 1 2 1 1 28 SER HA . 28 . HA 1 1 141 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 141 1 2 1 1 28 SER HA . 28 . HA 1 1 142 1 1 1 1 21 TYR QE . 21 . HE# 1 1 142 1 2 1 1 28 SER HA . 28 . HA 1 1 143 1 1 1 1 21 TYR QD . 21 . HD# 1 1 143 1 2 1 1 28 SER HA . 28 . HA 1 1 144 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 144 1 2 1 1 20 TYR QD . 20 . HD# 1 1 145 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 145 1 2 1 1 20 TYR HA . 20 . HA 1 1 146 1 1 1 1 8 TRP HA . 8 . HA 1 1 146 1 2 1 1 8 TRP HZ3 . 8 . HZ3 1 1 147 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 147 1 2 1 1 20 TYR QB . 20 . HB2 1 1 148 1 1 1 1 21 TYR QD . 21 . HD# 1 1 148 1 2 1 1 28 SER QB . 28 . HB2 1 1 149 1 1 1 1 21 TYR QD . 21 . HD# 1 1 149 1 2 1 1 26 LEU HA . 26 . HA 1 1 150 1 1 1 1 9 THR HB . 9 . HB 1 1 150 1 2 1 1 21 TYR QD . 21 . HD# 1 1 151 1 1 1 1 21 TYR QD . 21 . HD# 1 1 151 1 2 1 1 23 ASN HA . 23 . HA 1 1 152 1 1 1 1 21 TYR QD . 21 . HD# 1 1 152 1 2 1 1 23 ASN QB . 23 . HB1 1 1 153 1 1 1 1 9 THR MG . 9 . HG2# 1 1 153 1 2 1 1 21 TYR QD . 21 . HD# 1 1 154 1 1 1 1 21 TYR QD . 21 . HD# 1 1 154 1 2 1 1 26 LEU QD . 26 . HD2# 1 1 155 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 155 1 2 1 1 29 THR MG . 29 . HG2# 1 1 156 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 156 1 2 1 1 36 LEU QD . 36 . HD2# 1 1 157 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 157 1 2 1 1 22 ASN QB . 22 . HB1 1 1 158 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 158 1 2 1 1 33 PRO QG . 33 . HG2 1 1 159 1 1 1 1 6 SER HA . 6 . HA 1 1 159 1 2 1 1 8 TRP HH2 . 8 . HH2 1 1 160 1 1 1 1 6 SER HA . 6 . HA 1 1 160 1 2 1 1 8 TRP HZ3 . 8 . HZ3 1 1 161 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 161 1 2 1 1 24 ARG HA . 24 . HA 1 1 162 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 162 1 2 1 1 24 ARG HA . 24 . HA 1 1 163 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 163 1 2 1 1 20 TYR QB . 20 . HB2 1 1 164 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 164 1 2 1 1 24 ARG QB . 24 . HB2 1 1 165 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 165 1 2 1 1 27 GLU QB . 27 . HB2 1 1 166 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 166 1 2 1 1 27 GLU QG . 27 . HG2 1 1 167 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 167 1 2 1 1 29 THR MG . 29 . HG2# 1 1 168 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 168 1 2 1 1 29 THR MG . 29 . HG2# 1 1 169 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 169 1 2 1 1 22 ASN QB . 22 . HB1 1 1 170 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 170 1 2 1 1 22 ASN QB . 22 . HB1 1 1 171 1 1 1 1 20 TYR QD . 20 . HD# 1 1 171 1 2 1 1 33 PRO QG . 33 . HG2 1 1 172 1 1 1 1 6 SER HA . 6 . HA 1 1 172 1 2 1 1 8 TRP HZ2 . 8 . HZ2 1 1 173 1 1 1 1 8 TRP HZ2 . 8 . HZ2 1 1 173 1 2 1 1 36 LEU QB . 36 . HB2 1 1 174 1 1 1 1 8 TRP HZ2 . 8 . HZ2 1 1 174 1 2 1 1 29 THR MG . 29 . HG2# 1 1 175 1 1 1 1 8 TRP HZ2 . 8 . HZ2 1 1 175 1 2 1 1 33 PRO QG . 33 . HG2 1 1 176 1 1 1 1 6 SER HA . 6 . HA 1 1 176 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1 177 1 1 1 1 8 TRP HE1 . 8 . HE1 1 1 177 1 2 1 1 35 GLU QG . 35 . HG2 1 1 178 1 1 1 1 8 TRP HE1 . 8 . HE1 1 1 178 1 2 1 1 35 GLU QB . 35 . HB1 1 1 179 1 1 1 1 8 TRP HE1 . 8 . HE1 1 1 179 1 2 1 1 33 PRO QB . 33 . HB2 1 1 180 1 1 1 1 8 TRP HD1 . 8 . HD1 1 1 180 1 2 1 1 33 PRO QB . 33 . HB1 1 1 181 1 1 1 1 8 TRP HD1 . 8 . HD1 1 1 181 1 2 1 1 33 PRO QG . 33 . HG2 1 1 182 1 1 1 1 11 TYR H . 11 . HN 1 1 182 1 2 1 1 19 TYR H . 19 . HN 1 1 183 1 1 1 1 14 ALA H . 14 . HN 1 1 183 1 2 1 1 15 ASP H . 15 . HN 1 1 184 1 1 1 1 6 SER H . 6 . HN 1 1 184 1 2 1 1 7 GLU H . 7 . HN 1 1 185 1 1 1 1 7 GLU H . 7 . HN 1 1 185 1 2 1 1 8 TRP H . 8 . HN 1 1 186 1 1 1 1 20 TYR H . 20 . HN 1 1 186 1 2 1 1 30 TRP HA . 30 . HA 1 1 187 1 1 1 1 30 TRP HA . 30 . HA 1 1 187 1 2 1 1 31 GLU H . 31 . HN 1 1 188 1 1 1 1 29 THR HA . 29 . HA 1 1 188 1 2 1 1 31 GLU H . 31 . HN 1 1 189 1 1 1 1 13 THR HA . 13 . HA 1 1 189 1 2 1 1 15 ASP H . 15 . HN 1 1 190 1 1 1 1 29 THR HB . 29 . HB 1 1 190 1 2 1 1 31 GLU H . 31 . HN 1 1 191 1 1 1 1 1 GLY QA . 1 . HA2 1 1 191 1 2 1 1 2 ALA H . 2 . HN 1 1 192 1 1 1 1 30 TRP H . 30 . HN 1 1 192 1 2 1 1 31 GLU H . 31 . HN 1 1 193 1 1 1 1 3 THR HA . 3 . HA 1 1 193 1 2 1 1 4 ALA H . 4 . HN 1 1 194 1 1 1 1 3 THR HB . 3 . HB 1 1 194 1 2 1 1 4 ALA H . 4 . HN 1 1 195 1 1 1 1 3 THR MG . 3 . HG2# 1 1 195 1 2 1 1 4 ALA H . 4 . HN 1 1 196 1 1 1 1 19 TYR QB . 19 . HB2 1 1 196 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 197 1 1 1 1 17 LYS QB . 17 . HB2 1 1 197 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 198 1 1 1 1 13 THR MG . 13 . HG2# 1 1 198 1 2 1 1 30 TRP HE3 . 30 . HE3 1 1 199 1 1 1 1 17 LYS QB . 17 . HB2 1 1 199 1 2 1 1 19 TYR QD . 19 . HD# 1 1 200 1 1 1 1 17 LYS QB . 17 . HB2 1 1 200 1 2 1 1 30 TRP HH2 . 30 . HH2 1 1 201 1 1 1 1 17 LYS QB . 17 . HB2 1 1 201 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 202 1 1 1 1 17 LYS QG . 17 . HG2 1 1 202 1 2 1 1 30 TRP HH2 . 30 . HH2 1 1 203 1 1 1 1 17 LYS QG . 17 . HG2 1 1 203 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 204 1 1 1 1 19 TYR QB . 19 . HB1 1 1 204 1 2 1 1 30 TRP HZ3 . 30 . HZ3 1 1 205 1 1 1 1 12 LYS HA . 12 . HA 1 1 205 1 2 1 1 19 TYR QD . 19 . HD# 1 1 206 1 1 1 1 12 LYS HA . 12 . HA 1 1 206 1 2 1 1 19 TYR QE . 19 . HE# 1 1 207 1 1 1 1 8 TRP QB . 8 . HB2 1 1 207 1 2 1 1 36 LEU QD . 36 . HD1# 1 1 208 1 1 1 1 29 THR MG . 29 . HG2# 1 1 208 1 2 1 1 33 PRO QG . 33 . HG2 1 1 209 1 1 1 1 5 VAL QG . 5 . HG2# 1 1 209 1 2 1 1 36 LEU QD . 36 . HD2# 1 1 210 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 210 1 2 2 2 5 ILE MG . 105 . HG2# 1 1 211 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 211 1 2 2 2 5 ILE HG12 . 105 . HG12 1 1 212 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 212 1 2 2 2 5 ILE HB . 105 . HB 1 1 213 1 1 1 1 30 TRP HH2 . 30 . HH2 1 1 213 1 2 2 2 5 ILE HB . 105 . HB 1 1 214 1 1 1 1 30 TRP HZ2 . 30 . HZ2 1 1 214 1 2 2 2 5 ILE MD . 105 . HD1# 1 1 215 1 1 1 1 30 TRP HH2 . 30 . HH2 1 1 215 1 2 2 2 5 ILE MD . 105 . HD1# 1 1 216 1 1 1 1 19 TYR QD . 19 . HD# 1 1 216 1 2 2 2 5 ILE MD . 105 . HD1# 1 1 217 1 1 1 1 19 TYR QE . 19 . HE# 1 1 217 1 2 2 2 5 ILE MD . 105 . HD1# 1 1 218 1 1 1 1 19 TYR QD . 19 . HD# 1 1 218 1 2 2 2 5 ILE HG12 . 105 . HG12 1 1 219 1 1 1 1 19 TYR QE . 19 . HE# 1 1 219 1 2 2 2 5 ILE HG13 . 105 . HG11 1 1 220 1 1 1 1 11 TYR QE . 11 . HE# 1 1 220 1 2 2 2 3 PRO HD3 . 103 . HD1 1 1 221 1 1 1 1 11 TYR QE . 11 . HE# 1 1 221 1 2 2 2 3 PRO HD2 . 103 . HD2 1 1 222 1 1 1 1 11 TYR QE . 11 . HE# 1 1 222 1 2 2 2 3 PRO QG . 103 . HG# 1 1 223 1 1 1 1 11 TYR QD . 11 . HD# 1 1 223 1 2 2 2 3 PRO HD3 . 103 . HD1 1 1 224 1 1 1 1 11 TYR QD . 11 . HD# 1 1 224 1 2 2 2 3 PRO HD2 . 103 . HD2 1 1 225 1 1 1 1 11 TYR QD . 11 . HD# 1 1 225 1 2 2 2 3 PRO QG . 103 . HG# 1 1 226 1 1 1 1 21 TYR QE . 21 . HE# 1 1 226 1 2 2 2 3 PRO QG . 103 . HG# 1 1 227 1 1 1 1 21 TYR QD . 21 . HD# 1 1 227 1 2 2 2 3 PRO QG . 103 . HG# 1 1 228 1 1 1 1 21 TYR QD . 21 . HD# 1 1 228 1 2 2 2 3 PRO QB . 103 . HB# 1 1 229 1 1 1 1 21 TYR QE . 21 . HE# 1 1 229 1 2 2 2 3 PRO QB . 103 . HB# 1 1 230 1 1 1 1 28 SER QB . 28 . HB1 1 1 230 1 2 2 2 6 PRO QD . 106 . HD1 1 1 231 1 1 1 1 28 SER QB . 28 . HB1 1 1 231 1 2 2 2 6 PRO HG3 . 106 . HG1 1 1 232 1 1 1 1 28 SER QB . 28 . HB1 1 1 232 1 2 2 2 6 PRO HG2 . 106 . HG2 1 1 233 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 233 1 2 2 2 7 PRO HA . 107 . HA 1 1 234 1 1 1 1 30 TRP HH2 . 30 . HH2 1 1 234 1 2 2 2 8 PRO QD . 108 . HD2 1 1 235 1 1 1 1 30 TRP HD1 . 30 . HD1 1 1 235 1 2 2 2 6 PRO QD . 106 . HD1 1 1 236 1 1 1 1 30 TRP HZ2 . 30 . HZ2 1 1 236 1 2 2 2 8 PRO QG . 108 . HG# 1 1 237 1 1 1 1 30 TRP HZ2 . 30 . HZ2 1 1 237 1 2 2 2 8 PRO QD . 108 . HD2 1 1 238 1 1 1 1 13 THR MG . 13 . HG2# 1 1 238 1 2 2 2 2 PRO HG2 . 102 . HG2 1 1 239 1 1 1 1 11 TYR QD . 11 . HD# 1 1 239 1 2 2 2 2 PRO QG . 102 . HG# 1 1 240 1 1 1 1 11 TYR QE . 11 . HE# 1 1 240 1 2 2 2 2 PRO QD . 102 . HD# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 6.0 5.9 6.1 1 1 2 1 . . . . . 6.0 5.9 6.1 1 1 3 1 . . . . . 6.0 5.9 6.1 1 1 4 1 . . . . . 6.0 5.9 6.1 1 1 5 1 . . . . . 6.0 5.9 6.1 1 1 6 1 . . . . . 6.0 5.9 6.1 1 1 7 1 . . . . . 6.0 5.9 6.1 1 1 8 1 . . . . . 6.0 5.9 6.1 1 1 9 1 . . . . . 6.0 5.9 6.1 1 1 10 1 . . . . . 6.0 5.9 6.1 1 1 11 1 . . . . . 6.0 5.9 6.1 1 1 12 1 . . . . . 6.0 5.9 6.1 1 1 13 1 . . . . . 6.0 5.9 6.1 1 1 14 1 . . . . . 6.0 5.9 6.1 1 1 15 1 . . . . . 6.0 5.9 6.1 1 1 16 1 . . . . . 6.0 5.9 6.1 1 1 17 1 . . . . . 6.0 5.9 6.1 1 1 18 1 . . . . . 6.0 5.9 6.1 1 1 19 1 . . . . . 6.0 5.9 6.1 1 1 20 1 . . . . . 6.0 5.9 6.1 1 1 21 1 . . . . . 6.0 5.9 6.1 1 1 22 1 . . . . . 6.0 5.9 6.1 1 1 23 1 . . . . . 6.0 5.9 6.1 1 1 24 1 . . . . . 6.0 5.9 6.1 1 1 25 1 . . . . . 6.0 5.9 6.1 1 1 26 1 . . . . . 6.0 5.9 6.1 1 1 27 1 . . . . . 6.0 5.9 6.1 1 1 28 1 . . . . . 6.0 5.9 6.1 1 1 29 1 . . . . . 6.0 5.9 6.1 1 1 30 1 . . . . . 6.0 5.9 6.1 1 1 31 1 . . . . . 6.0 5.9 6.1 1 1 32 1 . . . . . 6.0 5.9 6.1 1 1 33 1 . . . . . 6.0 5.9 6.1 1 1 34 1 . . . . . 6.0 5.9 6.1 1 1 35 1 . . . . . 6.0 5.9 6.1 1 1 36 1 . . . . . 6.0 5.9 6.1 1 1 37 1 . . . . . 6.0 5.9 6.1 1 1 38 1 . . . . . 6.0 5.9 6.1 1 1 39 1 . . . . . 6.0 5.9 6.1 1 1 40 1 . . . . . 6.0 5.9 6.1 1 1 41 1 . . . . . 6.0 5.9 6.1 1 1 42 1 . . . . . 6.0 5.9 6.1 1 1 43 1 . . . . . 6.0 5.9 6.1 1 1 44 1 . . . . . 6.0 5.9 6.1 1 1 45 1 . . . . . 6.0 5.9 6.1 1 1 46 1 . . . . . 6.0 5.9 6.1 1 1 47 1 . . . . . 6.0 5.9 6.1 1 1 48 1 . . . . . 6.0 5.9 6.1 1 1 49 1 . . . . . 6.0 5.9 6.1 1 1 50 1 . . . . . 6.0 5.9 6.1 1 1 51 1 . . . . . 6.0 5.9 6.1 1 1 52 1 . . . . . 6.0 5.9 6.1 1 1 53 1 . . . . . 6.0 5.9 6.1 1 1 54 1 . . . . . 6.0 5.9 6.1 1 1 55 1 . . . . . 6.0 5.9 6.1 1 1 56 1 . . . . . 6.0 5.9 6.1 1 1 57 1 . . . . . 6.0 5.9 6.1 1 1 58 1 . . . . . 6.0 5.9 6.1 1 1 59 1 . . . . . 6.0 5.9 6.1 1 1 60 1 . . . . . 6.0 5.9 6.1 1 1 61 1 . . . . . 6.0 5.9 6.1 1 1 62 1 . . . . . 6.0 5.9 6.1 1 1 63 1 . . . . . 6.0 5.9 6.1 1 1 64 1 . . . . . 6.0 5.9 6.1 1 1 65 1 . . . . . 6.0 5.9 6.1 1 1 66 1 . . . . . 6.0 5.9 6.1 1 1 67 1 . . . . . 6.0 5.9 6.1 1 1 68 1 . . . . . 6.0 5.9 6.1 1 1 69 1 . . . . . 6.0 5.9 6.1 1 1 70 1 . . . . . 6.0 5.9 6.1 1 1 71 1 . . . . . 6.0 5.9 6.1 1 1 72 1 . . . . . 6.0 5.9 6.1 1 1 73 1 . . . . . 6.0 5.9 6.1 1 1 74 1 . . . . . 6.0 5.9 6.1 1 1 75 1 . . . . . 6.0 5.9 6.1 1 1 76 1 . . . . . 6.0 5.9 6.1 1 1 77 1 . . . . . 6.0 5.9 6.1 1 1 78 1 . . . . . 6.0 5.9 6.1 1 1 79 1 . . . . . 6.0 5.9 6.1 1 1 80 1 . . . . . 6.0 5.9 6.1 1 1 81 1 . . . . . 6.0 5.9 6.1 1 1 82 1 . . . . . 6.0 5.9 6.1 1 1 83 1 . . . . . 6.0 5.9 6.1 1 1 84 1 . . . . . 6.0 5.9 6.1 1 1 85 1 . . . . . 6.0 5.9 6.1 1 1 86 1 . . . . . 6.0 5.9 6.1 1 1 87 1 . . . . . 6.0 5.9 6.1 1 1 88 1 . . . . . 6.0 5.9 6.1 1 1 89 1 . . . . . 6.0 5.9 6.1 1 1 90 1 . . . . . 6.0 5.9 6.1 1 1 91 1 . . . . . 6.0 5.9 6.1 1 1 92 1 . . . . . 6.0 5.9 6.1 1 1 93 1 . . . . . 6.0 5.9 6.1 1 1 94 1 . . . . . 6.0 5.9 6.1 1 1 95 1 . . . . . 6.0 5.9 6.1 1 1 96 1 . . . . . 6.0 5.9 6.1 1 1 97 1 . . . . . 6.0 5.9 6.1 1 1 98 1 . . . . . 6.0 5.9 6.1 1 1 99 1 . . . . . 6.0 5.9 6.1 1 1 100 1 . . . . . 6.0 5.9 6.1 1 1 101 1 . . . . . 6.0 5.9 6.1 1 1 102 1 . . . . . 6.0 5.9 6.1 1 1 103 1 . . . . . 6.0 5.9 6.1 1 1 104 1 . . . . . 6.0 5.9 6.1 1 1 105 1 . . . . . 6.0 5.9 6.1 1 1 106 1 . . . . . 6.0 5.9 6.1 1 1 107 1 . . . . . 6.0 5.9 6.1 1 1 108 1 . . . . . 6.0 5.9 6.1 1 1 109 1 . . . . . 6.0 5.9 6.1 1 1 110 1 . . . . . 6.0 5.9 6.1 1 1 111 1 . . . . . 6.0 5.9 6.1 1 1 112 1 . . . . . 6.0 5.9 6.1 1 1 113 1 . . . . . 6.0 5.9 6.1 1 1 114 1 . . . . . 6.0 5.9 6.1 1 1 115 1 . . . . . 6.0 5.9 6.1 1 1 116 1 . . . . . 6.0 5.9 6.1 1 1 117 1 . . . . . 6.0 5.9 6.1 1 1 118 1 . . . . . 6.0 5.9 6.1 1 1 119 1 . . . . . 6.0 5.9 6.1 1 1 120 1 . . . . . 6.0 5.9 6.1 1 1 121 1 . . . . . 6.0 5.9 6.1 1 1 122 1 . . . . . 6.0 5.9 6.1 1 1 123 1 . . . . . 6.0 5.9 6.1 1 1 124 1 . . . . . 6.0 5.9 6.1 1 1 125 1 . . . . . 6.0 5.9 6.1 1 1 126 1 . . . . . 6.0 5.9 6.1 1 1 127 1 . . . . . 6.0 5.9 6.1 1 1 128 1 . . . . . 6.0 5.9 6.1 1 1 129 1 . . . . . 6.0 5.9 6.1 1 1 130 1 . . . . . 6.0 5.9 6.1 1 1 131 1 . . . . . 6.0 5.9 6.1 1 1 132 1 . . . . . 6.0 5.9 6.1 1 1 133 1 . . . . . 6.0 5.9 6.1 1 1 134 1 . . . . . 6.0 5.9 6.1 1 1 135 1 . . . . . 6.0 5.9 6.1 1 1 136 1 . . . . . 6.0 5.9 6.1 1 1 137 1 . . . . . 6.0 5.9 6.1 1 1 138 1 . . . . . 6.0 5.9 6.1 1 1 139 1 . . . . . 6.0 5.9 6.1 1 1 140 1 . . . . . 6.0 5.9 6.1 1 1 141 1 . . . . . 6.0 5.9 6.1 1 1 142 1 . . . . . 6.0 5.9 6.1 1 1 143 1 . . . . . 6.0 5.9 6.1 1 1 144 1 . . . . . 6.0 5.9 6.1 1 1 145 1 . . . . . 6.0 5.9 6.1 1 1 146 1 . . . . . 6.0 5.9 6.1 1 1 147 1 . . . . . 6.0 5.9 6.1 1 1 148 1 . . . . . 6.0 5.9 6.1 1 1 149 1 . . . . . 6.0 5.9 6.1 1 1 150 1 . . . . . 6.0 5.9 6.1 1 1 151 1 . . . . . 6.0 5.9 6.1 1 1 152 1 . . . . . 6.0 5.9 6.1 1 1 153 1 . . . . . 6.0 5.9 6.1 1 1 154 1 . . . . . 6.0 5.9 6.1 1 1 155 1 . . . . . 6.0 5.9 6.1 1 1 156 1 . . . . . 6.0 5.9 6.1 1 1 157 1 . . . . . 6.0 5.9 6.1 1 1 158 1 . . . . . 6.0 5.9 6.1 1 1 159 1 . . . . . 6.0 5.9 6.1 1 1 160 1 . . . . . 6.0 5.9 6.1 1 1 161 1 . . . . . 6.0 5.9 6.1 1 1 162 1 . . . . . 6.0 5.9 6.1 1 1 163 1 . . . . . 6.0 5.9 6.1 1 1 164 1 . . . . . 6.0 5.9 6.1 1 1 165 1 . . . . . 6.0 5.9 6.1 1 1 166 1 . . . . . 6.0 5.9 6.1 1 1 167 1 . . . . . 6.0 5.9 6.1 1 1 168 1 . . . . . 6.0 5.9 6.1 1 1 169 1 . . . . . 6.0 5.9 6.1 1 1 170 1 . . . . . 6.0 5.9 6.1 1 1 171 1 . . . . . 6.0 5.9 6.1 1 1 172 1 . . . . . 6.0 5.9 6.1 1 1 173 1 . . . . . 6.0 5.9 6.1 1 1 174 1 . . . . . 6.0 5.9 6.1 1 1 175 1 . . . . . 6.0 5.9 6.1 1 1 176 1 . . . . . 6.0 5.9 6.1 1 1 177 1 . . . . . 6.0 5.9 6.1 1 1 178 1 . . . . . 6.0 5.9 6.1 1 1 179 1 . . . . . 6.0 5.9 6.1 1 1 180 1 . . . . . 6.0 5.9 6.1 1 1 181 1 . . . . . 6.0 5.9 6.1 1 1 182 1 . . . . . 6.0 5.9 6.1 1 1 183 1 . . . . . 6.0 5.9 6.1 1 1 184 1 . . . . . 6.0 5.9 6.1 1 1 185 1 . . . . . 6.0 5.9 6.1 1 1 186 1 . . . . . 6.0 5.9 6.1 1 1 187 1 . . . . . 6.0 5.9 6.1 1 1 188 1 . . . . . 6.0 5.9 6.1 1 1 189 1 . . . . . 6.0 5.9 6.1 1 1 190 1 . . . . . 6.0 5.9 6.1 1 1 191 1 . . . . . 6.0 5.9 6.1 1 1 192 1 . . . . . 6.0 5.9 6.1 1 1 193 1 . . . . . 6.0 5.9 6.1 1 1 194 1 . . . . . 6.0 5.9 6.1 1 1 195 1 . . . . . 6.0 5.9 6.1 1 1 196 1 . . . . . 6.0 5.9 6.1 1 1 197 1 . . . . . 6.0 5.9 6.1 1 1 198 1 . . . . . 6.0 5.9 6.1 1 1 199 1 . . . . . 6.0 5.9 6.1 1 1 200 1 . . . . . 6.0 5.9 6.1 1 1 201 1 . . . . . 6.0 5.9 6.1 1 1 202 1 . . . . . 6.0 5.9 6.1 1 1 203 1 . . . . . 6.0 5.9 6.1 1 1 204 1 . . . . . 6.0 5.9 6.1 1 1 205 1 . . . . . 6.0 5.9 6.1 1 1 206 1 . . . . . 6.0 5.9 6.1 1 1 207 1 . . . . . 6.0 5.9 6.1 1 1 208 1 . . . . . 6.0 5.9 6.1 1 1 209 1 . . . . . 3.0 2.0 4.0 1 1 210 1 . . . . . 2.0 1.0 3.0 1 1 211 1 . . . . . 3.0 2.0 4.0 1 1 212 1 . . . . . 3.0 2.0 4.0 1 1 213 1 . . . . . 3.0 2.0 4.0 1 1 214 1 . . . . . 3.0 2.0 4.0 1 1 215 1 . . . . . 3.0 2.0 4.0 1 1 216 1 . . . . . 4.0 3.0 5.0 1 1 217 1 . . . . . 2.0 1.0 3.0 1 1 218 1 . . . . . 4.0 3.0 5.0 1 1 219 1 . . . . . 2.0 1.0 3.0 1 1 220 1 . . . . . 3.0 2.0 4.0 1 1 221 1 . . . . . 3.0 2.0 4.0 1 1 222 1 . . . . . 3.0 2.0 4.0 1 1 223 1 . . . . . 3.0 2.0 4.0 1 1 224 1 . . . . . 3.0 2.0 4.0 1 1 225 1 . . . . . 3.0 2.0 4.0 1 1 226 1 . . . . . 3.0 2.0 4.0 1 1 227 1 . . . . . 3.0 2.0 4.0 1 1 228 1 . . . . . 3.0 2.0 4.0 1 1 229 1 . . . . . 3.0 2.0 4.0 1 1 230 1 . . . . . 2.0 1.0 3.0 1 1 231 1 . . . . . 3.0 2.0 4.0 1 1 232 1 . . . . . 3.0 2.0 4.0 1 1 233 1 . . . . . 3.0 2.0 4.0 1 1 234 1 . . . . . 2.0 0.0 4.0 1 1 235 1 . . . . . 3.0 1.0 5.0 1 1 236 1 . . . . . 2.0 0.0 4.0 1 1 237 1 . . . . . 2.0 0.0 4.0 1 1 238 1 . . . . . 3.0 1.0 5.0 1 1 239 1 . . . . . 3.0 1.0 5.0 1 1 240 1 . . . . . 3.0 1.0 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 "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 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 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 10 GLU HA . 10 . HA 1 2 1 1 2 1 1 20 TYR HA . 20 . HA 1 2 2 1 1 1 1 23 ASN HA . 23 . HA 1 2 2 1 2 1 1 26 LEU HA . 26 . HA 1 2 3 1 1 1 1 19 TYR HA . 19 . HA 1 2 3 1 2 1 1 30 TRP HA . 30 . HA 1 2 4 1 1 1 1 9 THR H . 9 . HN 1 2 4 1 2 1 1 21 TYR O . 21 . O 1 2 5 1 1 1 1 9 THR N . 9 . N 1 2 5 1 2 1 1 21 TYR O . 21 . O 1 2 6 1 1 1 1 9 THR O . 9 . O 1 2 6 1 2 1 1 21 TYR H . 21 . HN 1 2 7 1 1 1 1 9 THR O . 9 . O 1 2 7 1 2 1 1 21 TYR N . 21 . N 1 2 8 1 1 1 1 11 TYR H . 11 . HN 1 2 8 1 2 1 1 19 TYR O . 19 . O 1 2 9 1 1 1 1 11 TYR N . 11 . N 1 2 9 1 2 1 1 19 TYR O . 19 . O 1 2 10 1 1 1 1 11 TYR O . 11 . O 1 2 10 1 2 1 1 19 TYR H . 19 . HN 1 2 11 1 1 1 1 11 TYR O . 11 . O 1 2 11 1 2 1 1 19 TYR N . 19 . N 1 2 12 1 1 1 1 13 THR H . 13 . HN 1 2 12 1 2 1 1 17 LYS O . 17 . O 1 2 13 1 1 1 1 13 THR N . 13 . N 1 2 13 1 2 1 1 17 LYS O . 17 . O 1 2 14 1 1 1 1 22 ASN O . 22 . O 1 2 14 1 2 1 1 27 GLU H . 27 . HN 1 2 15 1 1 1 1 22 ASN O . 22 . O 1 2 15 1 2 1 1 27 GLU N . 27 . N 1 2 16 1 1 1 1 22 ASN H . 22 . HN 1 2 16 1 2 1 1 27 GLU O . 27 . O 1 2 17 1 1 1 1 22 ASN N . 22 . N 1 2 17 1 2 1 1 27 GLU O . 27 . O 1 2 18 1 1 1 1 20 TYR O . 20 . O 1 2 18 1 2 1 1 29 THR H . 29 . HN 1 2 19 1 1 1 1 20 TYR O . 20 . O 1 2 19 1 2 1 1 29 THR N . 29 . N 1 2 20 1 1 1 1 20 TYR H . 20 . HN 1 2 20 1 2 1 1 29 THR O . 29 . O 1 2 21 1 1 1 1 20 TYR N . 20 . N 1 2 21 1 2 1 1 29 THR O . 29 . O 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 . . . . . 2.2 1.2 3.2 1 2 2 1 . . . . . 2.2 1.2 3.2 1 2 3 1 . . . . . 2.2 0.2 3.2 1 2 4 1 . . . . . 1.8 0.8 2.8 1 2 5 1 . . . . . 2.8 1.8 3.8 1 2 6 1 . . . . . 1.8 0.8 2.8 1 2 7 1 . . . . . 2.8 1.8 3.8 1 2 8 1 . . . . . 1.8 0.8 2.8 1 2 9 1 . . . . . 2.8 1.8 3.8 1 2 10 1 . . . . . 1.8 0.8 2.8 1 2 11 1 . . . . . 2.8 1.8 3.8 1 2 12 1 . . . . . 1.8 0.8 2.8 1 2 13 1 . . . . . 2.8 1.8 3.8 1 2 14 1 . . . . . 1.8 0.8 2.8 1 2 15 1 . . . . . 2.8 1.8 3.8 1 2 16 1 . . . . . 1.8 0.8 2.8 1 2 17 1 . . . . . 2.8 1.8 3.8 1 2 18 1 . . . . . 2.8 1.8 3.8 1 2 19 1 . . . . . 1.8 0.8 2.8 1 2 20 1 . . . . . 2.8 1.8 3.8 1 2 21 1 . . . . . 2.8 1.8 3.8 1 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _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 . 2 2 2 PRO N 2 2 2 PRO CA 2 2 2 PRO C 2 2 3 PRO N 149.0 149.0 . 102 . N . 102 . CA . 102 . C . 103 . N 1 1 2 . 2 2 2 PRO C 2 2 3 PRO N 2 2 3 PRO CA 2 2 3 PRO C -78.0 -78.0 . 102 . C . 103 . N . 103 . CA . 103 . C 1 1 3 . 2 2 3 PRO N 2 2 3 PRO CA 2 2 3 PRO C 2 2 4 LEU N 149.0 149.0 . 103 . N . 103 . CA . 103 . C . 104 . N 1 1 4 . 2 2 3 PRO C 2 2 4 LEU N 2 2 4 LEU CA 2 2 4 LEU C -78.0 -78.0 . 103 . C . 104 . N . 104 . CA . 104 . C 1 1 5 . 2 2 4 LEU N 2 2 4 LEU CA 2 2 4 LEU C 2 2 5 ILE N 149.0 149.0 . 104 . N . 104 . CA . 104 . C . 105 . N 1 1 6 . 2 2 4 LEU C 2 2 5 ILE N 2 2 5 ILE CA 2 2 5 ILE C -78.0 -78.0 . 104 . C . 105 . N . 105 . CA . 105 . C 1 1 7 . 2 2 5 ILE N 2 2 5 ILE CA 2 2 5 ILE C 2 2 6 PRO N 149.0 149.0 . 105 . N . 105 . CA . 105 . C . 106 . N 1 1 8 . 2 2 5 ILE C 2 2 6 PRO N 2 2 6 PRO CA 2 2 6 PRO C -78.0 -78.0 . 105 . C . 106 . N . 106 . CA . 106 . C 1 1 9 . 2 2 6 PRO N 2 2 6 PRO CA 2 2 6 PRO C 2 2 7 PRO N 149.0 149.0 . 106 . N . 106 . CA . 106 . C . 107 . N 1 1 10 . 2 2 6 PRO C 2 2 7 PRO N 2 2 7 PRO CA 2 2 7 PRO C -78.0 -78.0 . 106 . C . 107 . N . 107 . CA . 107 . C 1 1 11 . 2 2 7 PRO N 2 2 7 PRO CA 2 2 7 PRO C 2 2 8 PRO N 149.0 149.0 . 107 . N . 107 . CA . 107 . C . 108 . N 1 1 12 . 2 2 7 PRO C 2 2 8 PRO N 2 2 8 PRO CA 2 2 8 PRO C -78.0 -78.0 . 107 . C . 108 . N . 108 . CA . 108 . C 1 1 13 . 2 2 8 PRO N 2 2 8 PRO CA 2 2 8 PRO C 2 2 9 PRO N 149.0 149.0 . 108 . N . 108 . CA . 108 . C . 109 . N 1 1 14 . 1 1 5 VAL C 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C 150.0 190.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 15 . 1 1 6 SER C 1 1 7 GLU N 1 1 7 GLU CA 1 1 7 GLU C 46.0 86.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 16 . 1 1 7 GLU C 1 1 8 TRP N 1 1 8 TRP CA 1 1 8 TRP C -165.0 -125.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 17 . 1 1 8 TRP C 1 1 9 THR N 1 1 9 THR CA 1 1 9 THR C -140.0 -100.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 18 . 1 1 9 THR C 1 1 10 GLU N 1 1 10 GLU CA 1 1 10 GLU C -112.0 -72.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 19 . 1 1 10 GLU C 1 1 11 TYR N 1 1 11 TYR CA 1 1 11 TYR C -164.0 -123.99999 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 20 . 1 1 11 TYR C 1 1 12 LYS N 1 1 12 LYS CA 1 1 12 LYS C -120.0 -80.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 21 . 1 1 12 LYS C 1 1 13 THR N 1 1 13 THR CA 1 1 13 THR C -115.00001 -75.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 22 . 1 1 13 THR C 1 1 14 ALA N 1 1 14 ALA CA 1 1 14 ALA C -80.0 -40.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 23 . 1 1 14 ALA C 1 1 15 ASP N 1 1 15 ASP CA 1 1 15 ASP C -85.0 -44.999996 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 24 . 1 1 15 ASP C 1 1 16 GLY N 1 1 16 GLY CA 1 1 16 GLY C 78.0 118.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 25 . 1 1 16 GLY C 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C -137.0 -97.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 26 . 1 1 17 LYS C 1 1 18 THR N 1 1 18 THR CA 1 1 18 THR C -127.00001 -87.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 27 . 1 1 18 THR C 1 1 19 TYR N 1 1 19 TYR CA 1 1 19 TYR C -118.0 -78.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 28 . 1 1 19 TYR C 1 1 20 TYR N 1 1 20 TYR CA 1 1 20 TYR C -148.0 -107.99999 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 29 . 1 1 20 TYR C 1 1 21 TYR N 1 1 21 TYR CA 1 1 21 TYR C -158.0 -118.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 30 . 1 1 21 TYR C 1 1 22 ASN N 1 1 22 ASN CA 1 1 22 ASN C -91.0 -50.999996 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1 31 . 1 1 22 ASN C 1 1 23 ASN N 1 1 23 ASN CA 1 1 23 ASN C -100.0 -60.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1 32 . 1 1 23 ASN C 1 1 24 ARG N 1 1 24 ARG CA 1 1 24 ARG C -65.0 -25.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 33 . 1 1 24 ARG C 1 1 25 THR N 1 1 25 THR CA 1 1 25 THR C -132.0 -92.0 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1 34 . 1 1 25 THR C 1 1 26 LEU N 1 1 26 LEU CA 1 1 26 LEU C 44.999996 85.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 35 . 1 1 26 LEU C 1 1 27 GLU N 1 1 27 GLU CA 1 1 27 GLU C -142.0 -101.99999 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 36 . 1 1 27 GLU C 1 1 28 SER N 1 1 28 SER CA 1 1 28 SER C -114.0 -74.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 37 . 1 1 28 SER C 1 1 29 THR N 1 1 29 THR CA 1 1 29 THR C -184.0 -144.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 38 . 1 1 29 THR C 1 1 30 TRP N 1 1 30 TRP CA 1 1 30 TRP C -110.0 -70.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1 39 . 1 1 30 TRP C 1 1 31 GLU N 1 1 31 GLU CA 1 1 31 GLU C -105.0 -65.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1 40 . 1 1 31 GLU C 1 1 32 LYS N 1 1 32 LYS CA 1 1 32 LYS C -93.0 -53.0 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1 41 . 1 1 32 LYS C 1 1 33 PRO N 1 1 33 PRO CA 1 1 33 PRO C -105.0 -65.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -18.117 -16.254 0.056 1.00 . A W . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -19.144 -16.822 -0.890 1.00 . A W . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -19.539 -14.972 -1.762 1.00 . A W . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -20.657 -15.431 -0.568 1.00 . A W . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -20.703 -16.158 -2.101 1.00 . A W . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -19.707 -17.585 -0.377 1.00 . A W . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -18.642 -17.261 -1.739 1.00 . A W . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -20.076 -15.774 -1.365 1.00 . A W . 1 GLY N 1 1 1 9 1 1 1 GLY O O -18.443 -15.432 0.912 1.00 . A W . 1 GLY O 1 1 1 10 1 1 2 ALA C C -15.509 -14.698 0.295 1.00 . A W . 2 ALA C 1 1 1 11 1 1 2 ALA CA C -15.792 -16.137 0.706 1.00 . A W . 2 ALA CA 1 1 1 12 1 1 2 ALA CB C -14.541 -16.984 0.553 1.00 . A W . 2 ALA CB 1 1 1 13 1 1 2 ALA H H -16.685 -17.400 -0.736 1.00 . A W . 2 ALA H 1 1 1 14 1 1 2 ALA HA H -16.094 -16.158 1.741 1.00 . A W . 2 ALA HA 1 1 1 15 1 1 2 ALA HB1 H -14.750 -17.994 0.878 1.00 . A W . 2 ALA HB1 1 1 1 16 1 1 2 ALA HB2 H -13.749 -16.567 1.159 1.00 . A W . 2 ALA HB2 1 1 1 17 1 1 2 ALA HB3 H -14.236 -16.993 -0.482 1.00 . A W . 2 ALA HB3 1 1 1 18 1 1 2 ALA N N -16.877 -16.686 -0.088 1.00 . A W . 2 ALA N 1 1 1 19 1 1 2 ALA O O -15.641 -14.336 -0.878 1.00 . A W . 2 ALA O 1 1 1 20 1 1 3 THR C C -13.307 -12.402 0.581 1.00 . A W . 3 THR C 1 1 1 21 1 1 3 THR CA C -14.783 -12.497 0.966 1.00 . A W . 3 THR CA 1 1 1 22 1 1 3 THR CB C -15.097 -11.574 2.160 1.00 . A W . 3 THR CB 1 1 1 23 1 1 3 THR CG2 C -16.581 -11.242 2.217 1.00 . A W . 3 THR CG2 1 1 1 24 1 1 3 THR H H -15.075 -14.201 2.181 1.00 . A W . 3 THR H 1 1 1 25 1 1 3 THR HA H -15.383 -12.178 0.125 1.00 . A W . 3 THR HA 1 1 1 26 1 1 3 THR HB H -14.545 -10.653 2.038 1.00 . A W . 3 THR HB 1 1 1 27 1 1 3 THR HG1 H -14.121 -12.956 3.196 1.00 . A W . 3 THR HG1 1 1 1 28 1 1 3 THR HG21 H -17.152 -12.155 2.313 1.00 . A W . 3 THR HG21 1 1 1 29 1 1 3 THR HG22 H -16.872 -10.729 1.311 1.00 . A W . 3 THR HG22 1 1 1 30 1 1 3 THR HG23 H -16.774 -10.606 3.067 1.00 . A W . 3 THR HG23 1 1 1 31 1 1 3 THR N N -15.134 -13.873 1.255 1.00 . A W . 3 THR N 1 1 1 32 1 1 3 THR O O -12.417 -12.457 1.440 1.00 . A W . 3 THR O 1 1 1 33 1 1 3 THR OG1 O -14.694 -12.196 3.388 1.00 . A W . 3 THR OG1 1 1 1 34 1 1 4 ALA C C -10.904 -11.084 -0.822 1.00 . A W . 4 ALA C 1 1 1 35 1 1 4 ALA CA C -11.704 -12.309 -1.251 1.00 . A W . 4 ALA CA 1 1 1 36 1 1 4 ALA CB C -11.738 -12.417 -2.768 1.00 . A W . 4 ALA CB 1 1 1 37 1 1 4 ALA H H -13.812 -12.174 -1.334 1.00 . A W . 4 ALA H 1 1 1 38 1 1 4 ALA HA H -11.214 -13.190 -0.867 1.00 . A W . 4 ALA HA 1 1 1 39 1 1 4 ALA HB1 H -10.734 -12.538 -3.145 1.00 . A W . 4 ALA HB1 1 1 1 40 1 1 4 ALA HB2 H -12.171 -11.521 -3.183 1.00 . A W . 4 ALA HB2 1 1 1 41 1 1 4 ALA HB3 H -12.335 -13.270 -3.055 1.00 . A W . 4 ALA HB3 1 1 1 42 1 1 4 ALA N N -13.058 -12.285 -0.717 1.00 . A W . 4 ALA N 1 1 1 43 1 1 4 ALA O O -11.452 -9.990 -0.668 1.00 . A W . 4 ALA O 1 1 1 44 1 1 5 VAL C C -8.271 -9.459 -1.552 1.00 . A W . 5 VAL C 1 1 1 45 1 1 5 VAL CA C -8.718 -10.177 -0.282 1.00 . A W . 5 VAL CA 1 1 1 46 1 1 5 VAL CB C -7.492 -10.643 0.542 1.00 . A W . 5 VAL CB 1 1 1 47 1 1 5 VAL CG1 C -7.900 -10.911 1.985 1.00 . A W . 5 VAL CG1 1 1 1 48 1 1 5 VAL CG2 C -6.872 -11.897 -0.054 1.00 . A W . 5 VAL CG2 1 1 1 49 1 1 5 VAL H H -9.244 -12.191 -0.667 1.00 . A W . 5 VAL H 1 1 1 50 1 1 5 VAL HA H -9.277 -9.476 0.322 1.00 . A W . 5 VAL HA 1 1 1 51 1 1 5 VAL HB H -6.751 -9.857 0.535 1.00 . A W . 5 VAL HB 1 1 1 52 1 1 5 VAL HG11 H -8.311 -10.012 2.417 1.00 . A W . 5 VAL HG11 1 1 1 53 1 1 5 VAL HG12 H -7.034 -11.220 2.553 1.00 . A W . 5 VAL HG12 1 1 1 54 1 1 5 VAL HG13 H -8.642 -11.694 2.007 1.00 . A W . 5 VAL HG13 1 1 1 55 1 1 5 VAL HG21 H -6.514 -11.687 -1.050 1.00 . A W . 5 VAL HG21 1 1 1 56 1 1 5 VAL HG22 H -7.615 -12.680 -0.095 1.00 . A W . 5 VAL HG22 1 1 1 57 1 1 5 VAL HG23 H -6.047 -12.220 0.565 1.00 . A W . 5 VAL HG23 1 1 1 58 1 1 5 VAL N N -9.610 -11.280 -0.606 1.00 . A W . 5 VAL N 1 1 1 59 1 1 5 VAL O O -7.606 -10.035 -2.411 1.00 . A W . 5 VAL O 1 1 1 60 1 1 6 SER C C -8.752 -5.951 -2.515 1.00 . A W . 6 SER C 1 1 1 61 1 1 6 SER CA C -8.411 -7.393 -2.831 1.00 . A W . 6 SER CA 1 1 1 62 1 1 6 SER CB C -9.257 -7.909 -4.005 1.00 . A W . 6 SER CB 1 1 1 63 1 1 6 SER H H -9.133 -7.789 -0.902 1.00 . A W . 6 SER H 1 1 1 64 1 1 6 SER HA H -7.370 -7.457 -3.086 1.00 . A W . 6 SER HA 1 1 1 65 1 1 6 SER HB2 H -9.092 -8.964 -4.119 1.00 . A W . 6 SER HB2 1 1 1 66 1 1 6 SER HB3 H -10.300 -7.725 -3.797 1.00 . A W . 6 SER HB3 1 1 1 67 1 1 6 SER HG H -8.347 -7.857 -5.749 1.00 . A W . 6 SER HG 1 1 1 68 1 1 6 SER N N -8.656 -8.198 -1.651 1.00 . A W . 6 SER N 1 1 1 69 1 1 6 SER O O -8.576 -5.510 -1.379 1.00 . A W . 6 SER O 1 1 1 70 1 1 6 SER OG O -8.913 -7.269 -5.226 1.00 . A W . 6 SER OG 1 1 1 71 1 1 7 GLU C C -8.280 -3.023 -3.304 1.00 . A W . 7 GLU C 1 1 1 72 1 1 7 GLU CA C -9.558 -3.828 -3.427 1.00 . A W . 7 GLU CA 1 1 1 73 1 1 7 GLU CB C -10.488 -3.554 -2.239 1.00 . A W . 7 GLU CB 1 1 1 74 1 1 7 GLU CD C -12.605 -4.198 -1.031 1.00 . A W . 7 GLU CD 1 1 1 75 1 1 7 GLU CG C -11.793 -4.327 -2.298 1.00 . A W . 7 GLU CG 1 1 1 76 1 1 7 GLU H H -9.298 -5.693 -4.398 1.00 . A W . 7 GLU H 1 1 1 77 1 1 7 GLU HA H -10.060 -3.545 -4.340 1.00 . A W . 7 GLU HA 1 1 1 78 1 1 7 GLU HB2 H -9.973 -3.822 -1.328 1.00 . A W . 7 GLU HB2 1 1 1 79 1 1 7 GLU HB3 H -10.720 -2.498 -2.211 1.00 . A W . 7 GLU HB3 1 1 1 80 1 1 7 GLU HG2 H -12.380 -3.952 -3.121 1.00 . A W . 7 GLU HG2 1 1 1 81 1 1 7 GLU HG3 H -11.571 -5.371 -2.460 1.00 . A W . 7 GLU HG3 1 1 1 82 1 1 7 GLU N N -9.213 -5.241 -3.530 1.00 . A W . 7 GLU N 1 1 1 83 1 1 7 GLU O O -7.899 -2.586 -2.214 1.00 . A W . 7 GLU O 1 1 1 84 1 1 7 GLU OE1 O -13.370 -3.219 -0.905 1.00 . A W . 7 GLU OE1 1 1 1 85 1 1 7 GLU OE2 O -12.491 -5.080 -0.159 1.00 . A W . 7 GLU OE2 1 1 1 86 1 1 8 TRP C C -6.318 -1.019 -5.398 1.00 . A W . 8 TRP C 1 1 1 87 1 1 8 TRP CA C -6.305 -2.217 -4.460 1.00 . A W . 8 TRP CA 1 1 1 88 1 1 8 TRP CB C -5.256 -3.222 -4.977 1.00 . A W . 8 TRP CB 1 1 1 89 1 1 8 TRP CD1 C -5.347 -5.783 -4.750 1.00 . A W . 8 TRP CD1 1 1 1 90 1 1 8 TRP CD2 C -5.158 -4.667 -2.836 1.00 . A W . 8 TRP CD2 1 1 1 91 1 1 8 TRP CE2 C -5.200 -6.038 -2.538 1.00 . A W . 8 TRP CE2 1 1 1 92 1 1 8 TRP CE3 C -5.045 -3.749 -1.812 1.00 . A W . 8 TRP CE3 1 1 1 93 1 1 8 TRP CG C -5.248 -4.522 -4.238 1.00 . A W . 8 TRP CG 1 1 1 94 1 1 8 TRP CH2 C -5.038 -5.579 -0.229 1.00 . A W . 8 TRP CH2 1 1 1 95 1 1 8 TRP CZ2 C -5.133 -6.512 -1.230 1.00 . A W . 8 TRP CZ2 1 1 1 96 1 1 8 TRP CZ3 C -4.989 -4.207 -0.515 1.00 . A W . 8 TRP CZ3 1 1 1 97 1 1 8 TRP H H -8.008 -3.165 -5.273 1.00 . A W . 8 TRP H 1 1 1 98 1 1 8 TRP HA H -6.048 -1.902 -3.446 1.00 . A W . 8 TRP HA 1 1 1 99 1 1 8 TRP HB2 H -5.457 -3.433 -6.015 1.00 . A W . 8 TRP HB2 1 1 1 100 1 1 8 TRP HB3 H -4.272 -2.784 -4.889 1.00 . A W . 8 TRP HB3 1 1 1 101 1 1 8 TRP HD1 H -5.431 -6.009 -5.800 1.00 . A W . 8 TRP HD1 1 1 1 102 1 1 8 TRP HE1 H -5.352 -7.683 -3.841 1.00 . A W . 8 TRP HE1 1 1 1 103 1 1 8 TRP HE3 H -4.988 -2.689 -2.032 1.00 . A W . 8 TRP HE3 1 1 1 104 1 1 8 TRP HH2 H -4.989 -5.887 0.810 1.00 . A W . 8 TRP HH2 1 1 1 105 1 1 8 TRP HZ2 H -5.171 -7.566 -0.998 1.00 . A W . 8 TRP HZ2 1 1 1 106 1 1 8 TRP HZ3 H -4.939 -3.499 0.311 1.00 . A W . 8 TRP HZ3 1 1 1 107 1 1 8 TRP N N -7.618 -2.839 -4.434 1.00 . A W . 8 TRP N 1 1 1 108 1 1 8 TRP NE1 N -5.302 -6.708 -3.731 1.00 . A W . 8 TRP NE1 1 1 1 109 1 1 8 TRP O O -6.452 -1.170 -6.611 1.00 . A W . 8 TRP O 1 1 1 110 1 1 9 THR C C -4.722 1.823 -5.813 1.00 . A W . 9 THR C 1 1 1 111 1 1 9 THR CA C -6.143 1.365 -5.647 1.00 . A W . 9 THR CA 1 1 1 112 1 1 9 THR CB C -7.007 2.519 -5.054 1.00 . A W . 9 THR CB 1 1 1 113 1 1 9 THR CG2 C -6.767 2.678 -3.564 1.00 . A W . 9 THR CG2 1 1 1 114 1 1 9 THR H H -6.134 0.238 -3.866 1.00 . A W . 9 THR H 1 1 1 115 1 1 9 THR HA H -6.541 1.115 -6.623 1.00 . A W . 9 THR HA 1 1 1 116 1 1 9 THR HB H -8.005 2.263 -5.211 1.00 . A W . 9 THR HB 1 1 1 117 1 1 9 THR HG1 H -6.424 4.408 -5.080 1.00 . A W . 9 THR HG1 1 1 1 118 1 1 9 THR HG21 H -5.720 2.892 -3.389 1.00 . A W . 9 THR HG21 1 1 1 119 1 1 9 THR HG22 H -7.035 1.765 -3.054 1.00 . A W . 9 THR HG22 1 1 1 120 1 1 9 THR HG23 H -7.368 3.494 -3.187 1.00 . A W . 9 THR HG23 1 1 1 121 1 1 9 THR N N -6.197 0.166 -4.839 1.00 . A W . 9 THR N 1 1 1 122 1 1 9 THR O O -3.765 1.182 -5.372 1.00 . A W . 9 THR O 1 1 1 123 1 1 9 THR OG1 O -6.809 3.784 -5.706 1.00 . A W . 9 THR OG1 1 1 1 124 1 1 10 GLU C C -3.184 4.832 -5.942 1.00 . A W . 10 GLU C 1 1 1 125 1 1 10 GLU CA C -3.381 3.580 -6.776 1.00 . A W . 10 GLU CA 1 1 1 126 1 1 10 GLU CB C -3.383 3.967 -8.256 1.00 . A W . 10 GLU CB 1 1 1 127 1 1 10 GLU CD C -4.210 3.369 -10.551 1.00 . A W . 10 GLU CD 1 1 1 128 1 1 10 GLU CG C -3.795 2.846 -9.193 1.00 . A W . 10 GLU CG 1 1 1 129 1 1 10 GLU H H -5.507 3.408 -6.631 1.00 . A W . 10 GLU H 1 1 1 130 1 1 10 GLU HA H -2.577 2.883 -6.575 1.00 . A W . 10 GLU HA 1 1 1 131 1 1 10 GLU HB2 H -4.069 4.789 -8.398 1.00 . A W . 10 GLU HB2 1 1 1 132 1 1 10 GLU HB3 H -2.390 4.290 -8.533 1.00 . A W . 10 GLU HB3 1 1 1 133 1 1 10 GLU HG2 H -2.961 2.170 -9.320 1.00 . A W . 10 GLU HG2 1 1 1 134 1 1 10 GLU HG3 H -4.628 2.313 -8.759 1.00 . A W . 10 GLU HG3 1 1 1 135 1 1 10 GLU N N -4.638 2.951 -6.429 1.00 . A W . 10 GLU N 1 1 1 136 1 1 10 GLU O O -4.023 5.735 -5.953 1.00 . A W . 10 GLU O 1 1 1 137 1 1 10 GLU OE1 O -3.331 3.733 -11.355 1.00 . A W . 10 GLU OE1 1 1 1 138 1 1 10 GLU OE2 O -5.434 3.432 -10.815 1.00 . A W . 10 GLU OE2 1 1 1 139 1 1 11 TYR C C -0.314 6.462 -4.755 1.00 . A W . 11 TYR C 1 1 1 140 1 1 11 TYR CA C -1.746 6.060 -4.456 1.00 . A W . 11 TYR CA 1 1 1 141 1 1 11 TYR CB C -1.978 5.844 -2.959 1.00 . A W . 11 TYR CB 1 1 1 142 1 1 11 TYR CD1 C -4.486 5.936 -2.750 1.00 . A W . 11 TYR CD1 1 1 1 143 1 1 11 TYR CD2 C -3.210 7.666 -1.732 1.00 . A W . 11 TYR CD2 1 1 1 144 1 1 11 TYR CE1 C -5.651 6.534 -2.317 1.00 . A W . 11 TYR CE1 1 1 1 145 1 1 11 TYR CE2 C -4.367 8.274 -1.301 1.00 . A W . 11 TYR CE2 1 1 1 146 1 1 11 TYR CG C -3.249 6.488 -2.463 1.00 . A W . 11 TYR CG 1 1 1 147 1 1 11 TYR CZ C -5.587 7.704 -1.594 1.00 . A W . 11 TYR CZ 1 1 1 148 1 1 11 TYR H H -1.506 4.087 -5.168 1.00 . A W . 11 TYR H 1 1 1 149 1 1 11 TYR HA H -2.394 6.856 -4.791 1.00 . A W . 11 TYR HA 1 1 1 150 1 1 11 TYR HB2 H -2.043 4.785 -2.756 1.00 . A W . 11 TYR HB2 1 1 1 151 1 1 11 TYR HB3 H -1.152 6.263 -2.405 1.00 . A W . 11 TYR HB3 1 1 1 152 1 1 11 TYR HD1 H -4.531 5.017 -3.318 1.00 . A W . 11 TYR HD1 1 1 1 153 1 1 11 TYR HD2 H -2.255 8.106 -1.494 1.00 . A W . 11 TYR HD2 1 1 1 154 1 1 11 TYR HE1 H -6.605 6.086 -2.546 1.00 . A W . 11 TYR HE1 1 1 1 155 1 1 11 TYR HE2 H -4.313 9.190 -0.737 1.00 . A W . 11 TYR HE2 1 1 1 156 1 1 11 TYR HH H -6.688 9.259 -1.328 1.00 . A W . 11 TYR HH 1 1 1 157 1 1 11 TYR N N -2.096 4.877 -5.209 1.00 . A W . 11 TYR N 1 1 1 158 1 1 11 TYR O O 0.630 5.724 -4.478 1.00 . A W . 11 TYR O 1 1 1 159 1 1 11 TYR OH O -6.744 8.312 -1.166 1.00 . A W . 11 TYR OH 1 1 1 160 1 1 12 LYS C C 1.699 9.062 -4.739 1.00 . A W . 12 LYS C 1 1 1 161 1 1 12 LYS CA C 1.128 8.119 -5.783 1.00 . A W . 12 LYS CA 1 1 1 162 1 1 12 LYS CB C 1.003 8.856 -7.115 1.00 . A W . 12 LYS CB 1 1 1 163 1 1 12 LYS CD C 0.091 8.918 -9.434 1.00 . A W . 12 LYS CD 1 1 1 164 1 1 12 LYS CE C -0.914 8.325 -10.407 1.00 . A W . 12 LYS CE 1 1 1 165 1 1 12 LYS CG C 0.202 8.107 -8.163 1.00 . A W . 12 LYS CG 1 1 1 166 1 1 12 LYS H H -0.961 8.183 -5.510 1.00 . A W . 12 LYS H 1 1 1 167 1 1 12 LYS HA H 1.789 7.272 -5.903 1.00 . A W . 12 LYS HA 1 1 1 168 1 1 12 LYS HB2 H 0.524 9.810 -6.942 1.00 . A W . 12 LYS HB2 1 1 1 169 1 1 12 LYS HB3 H 1.995 9.032 -7.510 1.00 . A W . 12 LYS HB3 1 1 1 170 1 1 12 LYS HD2 H -0.221 9.920 -9.178 1.00 . A W . 12 LYS HD2 1 1 1 171 1 1 12 LYS HD3 H 1.060 8.956 -9.908 1.00 . A W . 12 LYS HD3 1 1 1 172 1 1 12 LYS HE2 H -0.595 7.329 -10.678 1.00 . A W . 12 LYS HE2 1 1 1 173 1 1 12 LYS HE3 H -1.879 8.275 -9.924 1.00 . A W . 12 LYS HE3 1 1 1 174 1 1 12 LYS HG2 H 0.695 7.172 -8.382 1.00 . A W . 12 LYS HG2 1 1 1 175 1 1 12 LYS HG3 H -0.789 7.915 -7.779 1.00 . A W . 12 LYS HG3 1 1 1 176 1 1 12 LYS HZ1 H -1.235 10.136 -11.389 1.00 . A W . 12 LYS HZ1 1 1 1 177 1 1 12 LYS HZ2 H -1.806 8.787 -12.240 1.00 . A W . 12 LYS HZ2 1 1 1 178 1 1 12 LYS HZ3 H -0.143 9.111 -12.177 1.00 . A W . 12 LYS HZ3 1 1 1 179 1 1 12 LYS N N -0.170 7.629 -5.355 1.00 . A W . 12 LYS N 1 1 1 180 1 1 12 LYS NZ N -1.035 9.146 -11.637 1.00 . A W . 12 LYS NZ 1 1 1 181 1 1 12 LYS O O 1.081 10.077 -4.405 1.00 . A W . 12 LYS O 1 1 1 182 1 1 13 THR C C 4.484 10.530 -4.014 1.00 . A W . 13 THR C 1 1 1 183 1 1 13 THR CA C 3.539 9.585 -3.275 1.00 . A W . 13 THR CA 1 1 1 184 1 1 13 THR CB C 4.295 8.757 -2.225 1.00 . A W . 13 THR CB 1 1 1 185 1 1 13 THR CG2 C 3.321 8.167 -1.213 1.00 . A W . 13 THR CG2 1 1 1 186 1 1 13 THR H H 3.261 7.863 -4.458 1.00 . A W . 13 THR H 1 1 1 187 1 1 13 THR HA H 2.791 10.178 -2.766 1.00 . A W . 13 THR HA 1 1 1 188 1 1 13 THR HB H 4.981 9.402 -1.703 1.00 . A W . 13 THR HB 1 1 1 189 1 1 13 THR HG1 H 5.989 7.866 -2.761 1.00 . A W . 13 THR HG1 1 1 1 190 1 1 13 THR HG21 H 2.750 8.961 -0.749 1.00 . A W . 13 THR HG21 1 1 1 191 1 1 13 THR HG22 H 3.870 7.625 -0.456 1.00 . A W . 13 THR HG22 1 1 1 192 1 1 13 THR HG23 H 2.644 7.492 -1.717 1.00 . A W . 13 THR HG23 1 1 1 193 1 1 13 THR N N 2.855 8.722 -4.214 1.00 . A W . 13 THR N 1 1 1 194 1 1 13 THR O O 4.786 10.321 -5.193 1.00 . A W . 13 THR O 1 1 1 195 1 1 13 THR OG1 O 5.032 7.707 -2.869 1.00 . A W . 13 THR OG1 1 1 1 196 1 1 14 ALA C C 7.030 12.179 -4.572 1.00 . A W . 14 ALA C 1 1 1 197 1 1 14 ALA CA C 5.712 12.647 -3.947 1.00 . A W . 14 ALA CA 1 1 1 198 1 1 14 ALA CB C 5.975 13.750 -2.932 1.00 . A W . 14 ALA CB 1 1 1 199 1 1 14 ALA H H 4.769 11.607 -2.362 1.00 . A W . 14 ALA H 1 1 1 200 1 1 14 ALA HA H 5.094 13.064 -4.727 1.00 . A W . 14 ALA HA 1 1 1 201 1 1 14 ALA HB1 H 6.610 13.376 -2.141 1.00 . A W . 14 ALA HB1 1 1 1 202 1 1 14 ALA HB2 H 5.038 14.084 -2.514 1.00 . A W . 14 ALA HB2 1 1 1 203 1 1 14 ALA HB3 H 6.465 14.577 -3.424 1.00 . A W . 14 ALA HB3 1 1 1 204 1 1 14 ALA N N 4.950 11.562 -3.322 1.00 . A W . 14 ALA N 1 1 1 205 1 1 14 ALA O O 7.607 12.885 -5.399 1.00 . A W . 14 ALA O 1 1 1 206 1 1 15 ASP C C 8.538 9.733 -6.011 1.00 . A W . 15 ASP C 1 1 1 207 1 1 15 ASP CA C 8.763 10.472 -4.693 1.00 . A W . 15 ASP CA 1 1 1 208 1 1 15 ASP CB C 9.415 9.534 -3.673 1.00 . A W . 15 ASP CB 1 1 1 209 1 1 15 ASP CG C 8.652 8.236 -3.505 1.00 . A W . 15 ASP CG 1 1 1 210 1 1 15 ASP H H 6.999 10.479 -3.522 1.00 . A W . 15 ASP H 1 1 1 211 1 1 15 ASP HA H 9.426 11.305 -4.873 1.00 . A W . 15 ASP HA 1 1 1 212 1 1 15 ASP HB2 H 10.417 9.299 -3.997 1.00 . A W . 15 ASP HB2 1 1 1 213 1 1 15 ASP HB3 H 9.458 10.030 -2.714 1.00 . A W . 15 ASP HB3 1 1 1 214 1 1 15 ASP N N 7.507 11.007 -4.173 1.00 . A W . 15 ASP N 1 1 1 215 1 1 15 ASP O O 9.484 9.255 -6.637 1.00 . A W . 15 ASP O 1 1 1 216 1 1 15 ASP OD1 O 7.579 8.259 -2.868 1.00 . A W . 15 ASP OD1 1 1 1 217 1 1 15 ASP OD2 O 9.130 7.197 -4.010 1.00 . A W . 15 ASP OD2 1 1 1 218 1 1 16 GLY C C 6.784 7.468 -7.475 1.00 . A W . 16 GLY C 1 1 1 219 1 1 16 GLY CA C 6.953 8.961 -7.671 1.00 . A W . 16 GLY CA 1 1 1 220 1 1 16 GLY H H 6.554 10.026 -5.879 1.00 . A W . 16 GLY H 1 1 1 221 1 1 16 GLY HA2 H 6.037 9.372 -8.067 1.00 . A W . 16 GLY HA2 1 1 1 222 1 1 16 GLY HA3 H 7.748 9.134 -8.381 1.00 . A W . 16 GLY HA3 1 1 1 223 1 1 16 GLY N N 7.277 9.637 -6.427 1.00 . A W . 16 GLY N 1 1 1 224 1 1 16 GLY O O 7.095 6.676 -8.363 1.00 . A W . 16 GLY O 1 1 1 225 1 1 17 LYS C C 4.685 5.259 -6.212 1.00 . A W . 17 LYS C 1 1 1 226 1 1 17 LYS CA C 6.125 5.686 -5.972 1.00 . A W . 17 LYS CA 1 1 1 227 1 1 17 LYS CB C 6.489 5.467 -4.502 1.00 . A W . 17 LYS CB 1 1 1 228 1 1 17 LYS CD C 7.829 3.342 -4.775 1.00 . A W . 17 LYS CD 1 1 1 229 1 1 17 LYS CE C 9.140 4.045 -4.436 1.00 . A W . 17 LYS CE 1 1 1 230 1 1 17 LYS CG C 6.635 4.008 -4.092 1.00 . A W . 17 LYS CG 1 1 1 231 1 1 17 LYS H H 6.039 7.768 -5.653 1.00 . A W . 17 LYS H 1 1 1 232 1 1 17 LYS HA H 6.781 5.102 -6.596 1.00 . A W . 17 LYS HA 1 1 1 233 1 1 17 LYS HB2 H 7.424 5.968 -4.300 1.00 . A W . 17 LYS HB2 1 1 1 234 1 1 17 LYS HB3 H 5.715 5.916 -3.892 1.00 . A W . 17 LYS HB3 1 1 1 235 1 1 17 LYS HD2 H 7.892 2.315 -4.448 1.00 . A W . 17 LYS HD2 1 1 1 236 1 1 17 LYS HD3 H 7.682 3.374 -5.844 1.00 . A W . 17 LYS HD3 1 1 1 237 1 1 17 LYS HE2 H 9.079 5.067 -4.781 1.00 . A W . 17 LYS HE2 1 1 1 238 1 1 17 LYS HE3 H 9.271 4.041 -3.363 1.00 . A W . 17 LYS HE3 1 1 1 239 1 1 17 LYS HG2 H 6.772 3.963 -3.018 1.00 . A W . 17 LYS HG2 1 1 1 240 1 1 17 LYS HG3 H 5.731 3.478 -4.366 1.00 . A W . 17 LYS HG3 1 1 1 241 1 1 17 LYS HZ1 H 10.532 2.488 -4.603 1.00 . A W . 17 LYS HZ1 1 1 1 242 1 1 17 LYS HZ2 H 11.162 4.012 -4.970 1.00 . A W . 17 LYS HZ2 1 1 1 243 1 1 17 LYS HZ3 H 10.153 3.221 -6.081 1.00 . A W . 17 LYS HZ3 1 1 1 244 1 1 17 LYS N N 6.296 7.088 -6.308 1.00 . A W . 17 LYS N 1 1 1 245 1 1 17 LYS NZ N 10.326 3.397 -5.069 1.00 . A W . 17 LYS NZ 1 1 1 246 1 1 17 LYS O O 3.752 5.938 -5.785 1.00 . A W . 17 LYS O 1 1 1 247 1 1 18 THR C C 2.872 2.653 -5.940 1.00 . A W . 18 THR C 1 1 1 248 1 1 18 THR CA C 3.184 3.581 -7.102 1.00 . A W . 18 THR CA 1 1 1 249 1 1 18 THR CB C 3.072 2.801 -8.433 1.00 . A W . 18 THR CB 1 1 1 250 1 1 18 THR CG2 C 1.709 2.133 -8.566 1.00 . A W . 18 THR CG2 1 1 1 251 1 1 18 THR H H 5.276 3.715 -7.335 1.00 . A W . 18 THR H 1 1 1 252 1 1 18 THR HA H 2.466 4.391 -7.110 1.00 . A W . 18 THR HA 1 1 1 253 1 1 18 THR HB H 3.832 2.033 -8.444 1.00 . A W . 18 THR HB 1 1 1 254 1 1 18 THR HG1 H 3.066 4.587 -9.285 1.00 . A W . 18 THR HG1 1 1 1 255 1 1 18 THR HG21 H 1.642 1.642 -9.525 1.00 . A W . 18 THR HG21 1 1 1 256 1 1 18 THR HG22 H 0.931 2.879 -8.487 1.00 . A W . 18 THR HG22 1 1 1 257 1 1 18 THR HG23 H 1.589 1.401 -7.780 1.00 . A W . 18 THR HG23 1 1 1 258 1 1 18 THR N N 4.505 4.154 -6.923 1.00 . A W . 18 THR N 1 1 1 259 1 1 18 THR O O 3.266 1.486 -5.936 1.00 . A W . 18 THR O 1 1 1 260 1 1 18 THR OG1 O 3.288 3.680 -9.545 1.00 . A W . 18 THR OG1 1 1 1 261 1 1 19 TYR C C 0.355 2.139 -3.779 1.00 . A W . 19 TYR C 1 1 1 262 1 1 19 TYR CA C 1.854 2.408 -3.771 1.00 . A W . 19 TYR CA 1 1 1 263 1 1 19 TYR CB C 2.359 3.116 -2.497 1.00 . A W . 19 TYR CB 1 1 1 264 1 1 19 TYR CD1 C 0.574 2.917 -0.720 1.00 . A W . 19 TYR CD1 1 1 1 265 1 1 19 TYR CD2 C 1.159 5.098 -1.470 1.00 . A W . 19 TYR CD2 1 1 1 266 1 1 19 TYR CE1 C -0.314 3.449 0.182 1.00 . A W . 19 TYR CE1 1 1 1 267 1 1 19 TYR CE2 C 0.262 5.646 -0.573 1.00 . A W . 19 TYR CE2 1 1 1 268 1 1 19 TYR CG C 1.325 3.721 -1.564 1.00 . A W . 19 TYR CG 1 1 1 269 1 1 19 TYR CZ C -0.470 4.816 0.253 1.00 . A W . 19 TYR CZ 1 1 1 270 1 1 19 TYR H H 1.933 4.130 -4.980 1.00 . A W . 19 TYR H 1 1 1 271 1 1 19 TYR HA H 2.368 1.456 -3.851 1.00 . A W . 19 TYR HA 1 1 1 272 1 1 19 TYR HB2 H 2.919 2.400 -1.915 1.00 . A W . 19 TYR HB2 1 1 1 273 1 1 19 TYR HB3 H 3.028 3.908 -2.795 1.00 . A W . 19 TYR HB3 1 1 1 274 1 1 19 TYR HD1 H 0.684 1.847 -0.788 1.00 . A W . 19 TYR HD1 1 1 1 275 1 1 19 TYR HD2 H 1.727 5.742 -2.125 1.00 . A W . 19 TYR HD2 1 1 1 276 1 1 19 TYR HE1 H -0.887 2.785 0.838 1.00 . A W . 19 TYR HE1 1 1 1 277 1 1 19 TYR HE2 H 0.152 6.717 -0.509 1.00 . A W . 19 TYR HE2 1 1 1 278 1 1 19 TYR HH H -1.190 4.968 2.026 1.00 . A W . 19 TYR HH 1 1 1 279 1 1 19 TYR N N 2.205 3.187 -4.935 1.00 . A W . 19 TYR N 1 1 1 280 1 1 19 TYR O O -0.410 2.853 -4.431 1.00 . A W . 19 TYR O 1 1 1 281 1 1 19 TYR OH O -1.354 5.355 1.158 1.00 . A W . 19 TYR OH 1 1 1 282 1 1 20 TYR C C -2.129 0.986 -1.811 1.00 . A W . 20 TYR C 1 1 1 283 1 1 20 TYR CA C -1.438 0.656 -3.117 1.00 . A W . 20 TYR CA 1 1 1 284 1 1 20 TYR CB C -1.513 -0.859 -3.318 1.00 . A W . 20 TYR CB 1 1 1 285 1 1 20 TYR CD1 C 0.459 -1.567 -4.733 1.00 . A W . 20 TYR CD1 1 1 1 286 1 1 20 TYR CD2 C -1.716 -1.569 -5.707 1.00 . A W . 20 TYR CD2 1 1 1 287 1 1 20 TYR CE1 C 1.001 -1.998 -5.919 1.00 . A W . 20 TYR CE1 1 1 1 288 1 1 20 TYR CE2 C -1.179 -1.998 -6.905 1.00 . A W . 20 TYR CE2 1 1 1 289 1 1 20 TYR CG C -0.911 -1.345 -4.608 1.00 . A W . 20 TYR CG 1 1 1 290 1 1 20 TYR CZ C 0.181 -2.213 -7.008 1.00 . A W . 20 TYR CZ 1 1 1 291 1 1 20 TYR H H 0.585 0.616 -2.514 1.00 . A W . 20 TYR H 1 1 1 292 1 1 20 TYR HA H -1.942 1.159 -3.938 1.00 . A W . 20 TYR HA 1 1 1 293 1 1 20 TYR HB2 H -0.986 -1.344 -2.509 1.00 . A W . 20 TYR HB2 1 1 1 294 1 1 20 TYR HB3 H -2.550 -1.163 -3.297 1.00 . A W . 20 TYR HB3 1 1 1 295 1 1 20 TYR HD1 H 1.109 -1.402 -3.882 1.00 . A W . 20 TYR HD1 1 1 1 296 1 1 20 TYR HD2 H -2.783 -1.411 -5.607 1.00 . A W . 20 TYR HD2 1 1 1 297 1 1 20 TYR HE1 H 2.066 -2.165 -5.987 1.00 . A W . 20 TYR HE1 1 1 1 298 1 1 20 TYR HE2 H -1.821 -2.166 -7.751 1.00 . A W . 20 TYR HE2 1 1 1 299 1 1 20 TYR HH H 1.396 -3.290 -8.033 1.00 . A W . 20 TYR HH 1 1 1 300 1 1 20 TYR N N -0.058 1.099 -3.080 1.00 . A W . 20 TYR N 1 1 1 301 1 1 20 TYR O O -1.543 0.892 -0.728 1.00 . A W . 20 TYR O 1 1 1 302 1 1 20 TYR OH O 0.720 -2.635 -8.203 1.00 . A W . 20 TYR OH 1 1 1 303 1 1 21 TYR C C -5.267 0.639 -0.573 1.00 . A W . 21 TYR C 1 1 1 304 1 1 21 TYR CA C -4.156 1.650 -0.736 1.00 . A W . 21 TYR CA 1 1 1 305 1 1 21 TYR CB C -4.707 3.070 -0.851 1.00 . A W . 21 TYR CB 1 1 1 306 1 1 21 TYR CD1 C -4.390 4.243 1.370 1.00 . A W . 21 TYR CD1 1 1 1 307 1 1 21 TYR CD2 C -6.606 3.615 0.731 1.00 . A W . 21 TYR CD2 1 1 1 308 1 1 21 TYR CE1 C -4.878 4.790 2.540 1.00 . A W . 21 TYR CE1 1 1 1 309 1 1 21 TYR CE2 C -7.100 4.158 1.904 1.00 . A W . 21 TYR CE2 1 1 1 310 1 1 21 TYR CG C -5.243 3.647 0.443 1.00 . A W . 21 TYR CG 1 1 1 311 1 1 21 TYR CZ C -6.230 4.746 2.804 1.00 . A W . 21 TYR CZ 1 1 1 312 1 1 21 TYR H H -3.828 1.306 -2.782 1.00 . A W . 21 TYR H 1 1 1 313 1 1 21 TYR HA H -3.497 1.589 0.119 1.00 . A W . 21 TYR HA 1 1 1 314 1 1 21 TYR HB2 H -3.919 3.721 -1.197 1.00 . A W . 21 TYR HB2 1 1 1 315 1 1 21 TYR HB3 H -5.508 3.075 -1.574 1.00 . A W . 21 TYR HB3 1 1 1 316 1 1 21 TYR HD1 H -3.328 4.280 1.165 1.00 . A W . 21 TYR HD1 1 1 1 317 1 1 21 TYR HD2 H -7.286 3.145 0.026 1.00 . A W . 21 TYR HD2 1 1 1 318 1 1 21 TYR HE1 H -4.199 5.246 3.244 1.00 . A W . 21 TYR HE1 1 1 1 319 1 1 21 TYR HE2 H -8.160 4.121 2.109 1.00 . A W . 21 TYR HE2 1 1 1 320 1 1 21 TYR HH H -6.287 6.147 4.121 1.00 . A W . 21 TYR HH 1 1 1 321 1 1 21 TYR N N -3.395 1.307 -1.905 1.00 . A W . 21 TYR N 1 1 1 322 1 1 21 TYR O O -6.264 0.644 -1.295 1.00 . A W . 21 TYR O 1 1 1 323 1 1 21 TYR OH O -6.711 5.297 3.969 1.00 . A W . 21 TYR OH 1 1 1 324 1 1 22 ASN C C -7.284 -0.786 1.073 1.00 . A W . 22 ASN C 1 1 1 325 1 1 22 ASN CA C -5.932 -1.343 0.667 1.00 . A W . 22 ASN CA 1 1 1 326 1 1 22 ASN CB C -5.327 -2.159 1.826 1.00 . A W . 22 ASN CB 1 1 1 327 1 1 22 ASN CG C -6.276 -3.146 2.486 1.00 . A W . 22 ASN CG 1 1 1 328 1 1 22 ASN H H -4.184 -0.201 0.851 1.00 . A W . 22 ASN H 1 1 1 329 1 1 22 ASN HA H -6.044 -1.975 -0.215 1.00 . A W . 22 ASN HA 1 1 1 330 1 1 22 ASN HB2 H -4.486 -2.720 1.450 1.00 . A W . 22 ASN HB2 1 1 1 331 1 1 22 ASN HB3 H -4.972 -1.473 2.583 1.00 . A W . 22 ASN HB3 1 1 1 332 1 1 22 ASN HD21 H -5.254 -4.665 1.741 1.00 . A W . 22 ASN HD21 1 1 1 333 1 1 22 ASN HD22 H -6.618 -5.080 2.713 1.00 . A W . 22 ASN HD22 1 1 1 334 1 1 22 ASN N N -5.021 -0.270 0.344 1.00 . A W . 22 ASN N 1 1 1 335 1 1 22 ASN ND2 N -6.029 -4.425 2.291 1.00 . A W . 22 ASN ND2 1 1 1 336 1 1 22 ASN O O -7.404 -0.108 2.096 1.00 . A W . 22 ASN O 1 1 1 337 1 1 22 ASN OD1 O -7.177 -2.767 3.226 1.00 . A W . 22 ASN OD1 1 1 1 338 1 1 23 ASN C C -10.270 -1.911 1.312 1.00 . A W . 23 ASN C 1 1 1 339 1 1 23 ASN CA C -9.649 -0.707 0.617 1.00 . A W . 23 ASN CA 1 1 1 340 1 1 23 ASN CB C -10.462 -0.326 -0.634 1.00 . A W . 23 ASN CB 1 1 1 341 1 1 23 ASN CG C -11.807 0.304 -0.308 1.00 . A W . 23 ASN CG 1 1 1 342 1 1 23 ASN H H -8.109 -1.495 -0.600 1.00 . A W . 23 ASN H 1 1 1 343 1 1 23 ASN HA H -9.617 0.132 1.303 1.00 . A W . 23 ASN HA 1 1 1 344 1 1 23 ASN HB2 H -9.893 0.377 -1.222 1.00 . A W . 23 ASN HB2 1 1 1 345 1 1 23 ASN HB3 H -10.641 -1.215 -1.223 1.00 . A W . 23 ASN HB3 1 1 1 346 1 1 23 ASN HD21 H -12.689 -1.483 -0.313 1.00 . A W . 23 ASN HD21 1 1 1 347 1 1 23 ASN HD22 H -13.717 -0.129 0.016 1.00 . A W . 23 ASN HD22 1 1 1 348 1 1 23 ASN N N -8.287 -1.054 0.261 1.00 . A W . 23 ASN N 1 1 1 349 1 1 23 ASN ND2 N -12.841 -0.516 -0.189 1.00 . A W . 23 ASN ND2 1 1 1 350 1 1 23 ASN O O -11.365 -1.837 1.867 1.00 . A W . 23 ASN O 1 1 1 351 1 1 23 ASN OD1 O -11.917 1.526 -0.181 1.00 . A W . 23 ASN OD1 1 1 1 352 1 1 24 ARG C C -10.434 -4.089 3.301 1.00 . A W . 24 ARG C 1 1 1 353 1 1 24 ARG CA C -9.991 -4.279 1.849 1.00 . A W . 24 ARG CA 1 1 1 354 1 1 24 ARG CB C -8.908 -5.369 1.777 1.00 . A W . 24 ARG CB 1 1 1 355 1 1 24 ARG CD C -10.394 -7.162 2.767 1.00 . A W . 24 ARG CD 1 1 1 356 1 1 24 ARG CG C -9.464 -6.784 1.624 1.00 . A W . 24 ARG CG 1 1 1 357 1 1 24 ARG CZ C -11.977 -8.975 3.323 1.00 . A W . 24 ARG CZ 1 1 1 358 1 1 24 ARG H H -8.624 -2.976 0.905 1.00 . A W . 24 ARG H 1 1 1 359 1 1 24 ARG HA H -10.817 -4.584 1.256 1.00 . A W . 24 ARG HA 1 1 1 360 1 1 24 ARG HB2 H -8.261 -5.170 0.936 1.00 . A W . 24 ARG HB2 1 1 1 361 1 1 24 ARG HB3 H -8.325 -5.335 2.684 1.00 . A W . 24 ARG HB3 1 1 1 362 1 1 24 ARG HD2 H -9.843 -7.101 3.690 1.00 . A W . 24 ARG HD2 1 1 1 363 1 1 24 ARG HD3 H -11.214 -6.460 2.790 1.00 . A W . 24 ARG HD3 1 1 1 364 1 1 24 ARG HE H -10.485 -9.114 1.994 1.00 . A W . 24 ARG HE 1 1 1 365 1 1 24 ARG HG2 H -10.009 -6.845 0.695 1.00 . A W . 24 ARG HG2 1 1 1 366 1 1 24 ARG HG3 H -8.639 -7.481 1.601 1.00 . A W . 24 ARG HG3 1 1 1 367 1 1 24 ARG HH11 H -12.339 -7.221 4.272 1.00 . A W . 24 ARG HH11 1 1 1 368 1 1 24 ARG HH12 H -13.425 -8.521 4.669 1.00 . A W . 24 ARG HH12 1 1 1 369 1 1 24 ARG HH21 H -11.924 -10.845 2.537 1.00 . A W . 24 ARG HH21 1 1 1 370 1 1 24 ARG HH22 H -13.160 -10.569 3.725 1.00 . A W . 24 ARG HH22 1 1 1 371 1 1 24 ARG N N -9.517 -3.019 1.299 1.00 . A W . 24 ARG N 1 1 1 372 1 1 24 ARG NE N -10.933 -8.516 2.627 1.00 . A W . 24 ARG NE 1 1 1 373 1 1 24 ARG NH1 N -12.627 -8.174 4.155 1.00 . A W . 24 ARG NH1 1 1 1 374 1 1 24 ARG NH2 N -12.387 -10.227 3.177 1.00 . A W . 24 ARG NH2 1 1 1 375 1 1 24 ARG O O -11.585 -4.336 3.654 1.00 . A W . 24 ARG O 1 1 1 376 1 1 25 THR C C -9.166 -2.069 5.954 1.00 . A W . 25 THR C 1 1 1 377 1 1 25 THR CA C -9.747 -3.418 5.544 1.00 . A W . 25 THR CA 1 1 1 378 1 1 25 THR CB C -9.132 -4.531 6.415 1.00 . A W . 25 THR CB 1 1 1 379 1 1 25 THR CG2 C -9.989 -5.790 6.391 1.00 . A W . 25 THR CG2 1 1 1 380 1 1 25 THR H H -8.589 -3.512 3.787 1.00 . A W . 25 THR H 1 1 1 381 1 1 25 THR HA H -10.816 -3.408 5.699 1.00 . A W . 25 THR HA 1 1 1 382 1 1 25 THR HB H -9.070 -4.177 7.434 1.00 . A W . 25 THR HB 1 1 1 383 1 1 25 THR HG1 H -7.227 -4.090 6.137 1.00 . A W . 25 THR HG1 1 1 1 384 1 1 25 THR HG21 H -9.562 -6.530 7.050 1.00 . A W . 25 THR HG21 1 1 1 385 1 1 25 THR HG22 H -10.027 -6.182 5.384 1.00 . A W . 25 THR HG22 1 1 1 386 1 1 25 THR HG23 H -10.987 -5.548 6.719 1.00 . A W . 25 THR HG23 1 1 1 387 1 1 25 THR N N -9.493 -3.672 4.134 1.00 . A W . 25 THR N 1 1 1 388 1 1 25 THR O O -8.931 -1.824 7.136 1.00 . A W . 25 THR O 1 1 1 389 1 1 25 THR OG1 O -7.809 -4.835 5.949 1.00 . A W . 25 THR OG1 1 1 1 390 1 1 26 LEU C C -6.841 -0.109 5.592 1.00 . A W . 26 LEU C 1 1 1 391 1 1 26 LEU CA C -8.294 0.087 5.151 1.00 . A W . 26 LEU CA 1 1 1 392 1 1 26 LEU CB C -9.066 0.939 6.167 1.00 . A W . 26 LEU CB 1 1 1 393 1 1 26 LEU CD1 C -7.565 2.976 6.249 1.00 . A W . 26 LEU CD1 1 1 1 394 1 1 26 LEU CD2 C -9.428 2.843 4.567 1.00 . A W . 26 LEU CD2 1 1 1 395 1 1 26 LEU CG C -8.975 2.459 5.973 1.00 . A W . 26 LEU CG 1 1 1 396 1 1 26 LEU H H -9.235 -1.449 4.064 1.00 . A W . 26 LEU H 1 1 1 397 1 1 26 LEU HA H -8.297 0.594 4.192 1.00 . A W . 26 LEU HA 1 1 1 398 1 1 26 LEU HB2 H -10.106 0.651 6.126 1.00 . A W . 26 LEU HB2 1 1 1 399 1 1 26 LEU HB3 H -8.687 0.703 7.152 1.00 . A W . 26 LEU HB3 1 1 1 400 1 1 26 LEU HD11 H -7.293 2.749 7.270 1.00 . A W . 26 LEU HD11 1 1 1 401 1 1 26 LEU HD12 H -7.536 4.046 6.101 1.00 . A W . 26 LEU HD12 1 1 1 402 1 1 26 LEU HD13 H -6.866 2.501 5.575 1.00 . A W . 26 LEU HD13 1 1 1 403 1 1 26 LEU HD21 H -9.369 3.915 4.450 1.00 . A W . 26 LEU HD21 1 1 1 404 1 1 26 LEU HD22 H -10.447 2.521 4.417 1.00 . A W . 26 LEU HD22 1 1 1 405 1 1 26 LEU HD23 H -8.787 2.365 3.838 1.00 . A W . 26 LEU HD23 1 1 1 406 1 1 26 LEU HG H -9.644 2.932 6.673 1.00 . A W . 26 LEU HG 1 1 1 407 1 1 26 LEU N N -8.945 -1.209 4.961 1.00 . A W . 26 LEU N 1 1 1 408 1 1 26 LEU O O -6.526 -0.085 6.783 1.00 . A W . 26 LEU O 1 1 1 409 1 1 27 GLU C C -3.715 0.076 3.778 1.00 . A W . 27 GLU C 1 1 1 410 1 1 27 GLU CA C -4.553 -0.572 4.881 1.00 . A W . 27 GLU CA 1 1 1 411 1 1 27 GLU CB C -4.242 -2.079 4.969 1.00 . A W . 27 GLU CB 1 1 1 412 1 1 27 GLU CD C -2.270 -1.835 6.533 1.00 . A W . 27 GLU CD 1 1 1 413 1 1 27 GLU CG C -2.772 -2.396 5.214 1.00 . A W . 27 GLU CG 1 1 1 414 1 1 27 GLU H H -6.297 -0.375 3.696 1.00 . A W . 27 GLU H 1 1 1 415 1 1 27 GLU HA H -4.314 -0.102 5.828 1.00 . A W . 27 GLU HA 1 1 1 416 1 1 27 GLU HB2 H -4.819 -2.509 5.771 1.00 . A W . 27 GLU HB2 1 1 1 417 1 1 27 GLU HB3 H -4.537 -2.547 4.041 1.00 . A W . 27 GLU HB3 1 1 1 418 1 1 27 GLU HG2 H -2.643 -3.466 5.221 1.00 . A W . 27 GLU HG2 1 1 1 419 1 1 27 GLU HG3 H -2.193 -1.958 4.400 1.00 . A W . 27 GLU HG3 1 1 1 420 1 1 27 GLU N N -5.974 -0.355 4.623 1.00 . A W . 27 GLU N 1 1 1 421 1 1 27 GLU O O -4.242 0.486 2.750 1.00 . A W . 27 GLU O 1 1 1 422 1 1 27 GLU OE1 O -1.814 -0.671 6.546 1.00 . A W . 27 GLU OE1 1 1 1 423 1 1 27 GLU OE2 O -2.330 -2.549 7.560 1.00 . A W . 27 GLU OE2 1 1 1 424 1 1 28 SER C C -0.532 -0.395 2.579 1.00 . A W . 28 SER C 1 1 1 425 1 1 28 SER CA C -1.529 0.696 3.003 1.00 . A W . 28 SER CA 1 1 1 426 1 1 28 SER CB C -0.811 1.889 3.609 1.00 . A W . 28 SER CB 1 1 1 427 1 1 28 SER H H -2.060 -0.009 4.891 1.00 . A W . 28 SER H 1 1 1 428 1 1 28 SER HA H -2.111 1.006 2.146 1.00 . A W . 28 SER HA 1 1 1 429 1 1 28 SER HB2 H -1.153 2.019 4.626 1.00 . A W . 28 SER HB2 1 1 1 430 1 1 28 SER HB3 H 0.238 1.694 3.622 1.00 . A W . 28 SER HB3 1 1 1 431 1 1 28 SER HG H -1.875 2.987 2.386 1.00 . A W . 28 SER HG 1 1 1 432 1 1 28 SER N N -2.427 0.209 4.003 1.00 . A W . 28 SER N 1 1 1 433 1 1 28 SER O O -0.181 -1.257 3.387 1.00 . A W . 28 SER O 1 1 1 434 1 1 28 SER OG O -1.068 3.087 2.901 1.00 . A W . 28 SER OG 1 1 1 435 1 1 29 THR C C 1.897 -0.508 -0.121 1.00 . A W . 29 THR C 1 1 1 436 1 1 29 THR CA C 0.998 -1.249 0.858 1.00 . A W . 29 THR CA 1 1 1 437 1 1 29 THR CB C 0.474 -2.519 0.127 1.00 . A W . 29 THR CB 1 1 1 438 1 1 29 THR CG2 C -0.677 -3.177 0.860 1.00 . A W . 29 THR CG2 1 1 1 439 1 1 29 THR H H -0.479 0.272 0.677 1.00 . A W . 29 THR H 1 1 1 440 1 1 29 THR HA H 1.579 -1.553 1.716 1.00 . A W . 29 THR HA 1 1 1 441 1 1 29 THR HB H 1.285 -3.229 0.053 1.00 . A W . 29 THR HB 1 1 1 442 1 1 29 THR HG1 H 0.748 -2.374 -1.820 1.00 . A W . 29 THR HG1 1 1 1 443 1 1 29 THR HG21 H -0.380 -3.410 1.869 1.00 . A W . 29 THR HG21 1 1 1 444 1 1 29 THR HG22 H -0.951 -4.082 0.342 1.00 . A W . 29 THR HG22 1 1 1 445 1 1 29 THR HG23 H -1.521 -2.503 0.876 1.00 . A W . 29 THR HG23 1 1 1 446 1 1 29 THR N N -0.075 -0.355 1.319 1.00 . A W . 29 THR N 1 1 1 447 1 1 29 THR O O 1.411 0.235 -0.961 1.00 . A W . 29 THR O 1 1 1 448 1 1 29 THR OG1 O 0.037 -2.192 -1.191 1.00 . A W . 29 THR OG1 1 1 1 449 1 1 30 TRP C C 3.999 -0.662 -2.337 1.00 . A W . 30 TRP C 1 1 1 450 1 1 30 TRP CA C 4.121 -0.048 -0.949 1.00 . A W . 30 TRP CA 1 1 1 451 1 1 30 TRP CB C 5.573 -0.128 -0.465 1.00 . A W . 30 TRP CB 1 1 1 452 1 1 30 TRP CD1 C 5.956 0.498 1.998 1.00 . A W . 30 TRP CD1 1 1 1 453 1 1 30 TRP CD2 C 6.200 2.195 0.571 1.00 . A W . 30 TRP CD2 1 1 1 454 1 1 30 TRP CE2 C 6.454 2.656 1.878 1.00 . A W . 30 TRP CE2 1 1 1 455 1 1 30 TRP CE3 C 6.290 3.099 -0.489 1.00 . A W . 30 TRP CE3 1 1 1 456 1 1 30 TRP CG C 5.898 0.801 0.668 1.00 . A W . 30 TRP CG 1 1 1 457 1 1 30 TRP CH2 C 6.858 4.830 1.103 1.00 . A W . 30 TRP CH2 1 1 1 458 1 1 30 TRP CZ2 C 6.787 3.969 2.152 1.00 . A W . 30 TRP CZ2 1 1 1 459 1 1 30 TRP CZ3 C 6.613 4.414 -0.210 1.00 . A W . 30 TRP CZ3 1 1 1 460 1 1 30 TRP H H 3.559 -1.278 0.685 1.00 . A W . 30 TRP H 1 1 1 461 1 1 30 TRP HA H 3.831 0.991 -1.025 1.00 . A W . 30 TRP HA 1 1 1 462 1 1 30 TRP HB2 H 5.781 -1.134 -0.134 1.00 . A W . 30 TRP HB2 1 1 1 463 1 1 30 TRP HB3 H 6.231 0.114 -1.289 1.00 . A W . 30 TRP HB3 1 1 1 464 1 1 30 TRP HD1 H 5.753 -0.467 2.408 1.00 . A W . 30 TRP HD1 1 1 1 465 1 1 30 TRP HE1 H 6.421 1.630 3.697 1.00 . A W . 30 TRP HE1 1 1 1 466 1 1 30 TRP HE3 H 6.101 2.792 -1.507 1.00 . A W . 30 TRP HE3 1 1 1 467 1 1 30 TRP HH2 H 7.093 5.855 1.280 1.00 . A W . 30 TRP HH2 1 1 1 468 1 1 30 TRP HZ2 H 6.984 4.312 3.157 1.00 . A W . 30 TRP HZ2 1 1 1 469 1 1 30 TRP HZ3 H 6.682 5.134 -1.013 1.00 . A W . 30 TRP HZ3 1 1 1 470 1 1 30 TRP N N 3.204 -0.695 -0.017 1.00 . A W . 30 TRP N 1 1 1 471 1 1 30 TRP NE1 N 6.306 1.602 2.724 1.00 . A W . 30 TRP NE1 1 1 1 472 1 1 30 TRP O O 3.492 -0.031 -3.255 1.00 . A W . 30 TRP O 1 1 1 473 1 1 31 GLU C C 3.304 -3.606 -3.806 1.00 . A W . 31 GLU C 1 1 1 474 1 1 31 GLU CA C 4.411 -2.542 -3.780 1.00 . A W . 31 GLU CA 1 1 1 475 1 1 31 GLU CB C 5.780 -3.140 -4.113 1.00 . A W . 31 GLU CB 1 1 1 476 1 1 31 GLU CD C 6.819 -3.695 -1.874 1.00 . A W . 31 GLU CD 1 1 1 477 1 1 31 GLU CG C 6.220 -4.237 -3.157 1.00 . A W . 31 GLU CG 1 1 1 478 1 1 31 GLU H H 4.857 -2.360 -1.721 1.00 . A W . 31 GLU H 1 1 1 479 1 1 31 GLU HA H 4.173 -1.789 -4.520 1.00 . A W . 31 GLU HA 1 1 1 480 1 1 31 GLU HB2 H 5.752 -3.536 -5.109 1.00 . A W . 31 GLU HB2 1 1 1 481 1 1 31 GLU HB3 H 6.514 -2.350 -4.075 1.00 . A W . 31 GLU HB3 1 1 1 482 1 1 31 GLU HG2 H 5.355 -4.835 -2.904 1.00 . A W . 31 GLU HG2 1 1 1 483 1 1 31 GLU HG3 H 6.954 -4.857 -3.651 1.00 . A W . 31 GLU HG3 1 1 1 484 1 1 31 GLU N N 4.464 -1.883 -2.490 1.00 . A W . 31 GLU N 1 1 1 485 1 1 31 GLU O O 2.384 -3.568 -2.988 1.00 . A W . 31 GLU O 1 1 1 486 1 1 31 GLU OE1 O 6.062 -3.467 -0.910 1.00 . A W . 31 GLU OE1 1 1 1 487 1 1 31 GLU OE2 O 8.052 -3.487 -1.830 1.00 . A W . 31 GLU OE2 1 1 1 488 1 1 32 LYS C C 2.100 -6.405 -3.735 1.00 . A W . 32 LYS C 1 1 1 489 1 1 32 LYS CA C 2.377 -5.559 -4.974 1.00 . A W . 32 LYS CA 1 1 1 490 1 1 32 LYS CB C 2.778 -6.481 -6.123 1.00 . A W . 32 LYS CB 1 1 1 491 1 1 32 LYS CD C 3.007 -6.854 -8.581 1.00 . A W . 32 LYS CD 1 1 1 492 1 1 32 LYS CE C 2.867 -6.271 -9.974 1.00 . A W . 32 LYS CE 1 1 1 493 1 1 32 LYS CG C 2.727 -5.832 -7.497 1.00 . A W . 32 LYS CG 1 1 1 494 1 1 32 LYS H H 4.185 -4.553 -5.325 1.00 . A W . 32 LYS H 1 1 1 495 1 1 32 LYS HA H 1.468 -5.051 -5.252 1.00 . A W . 32 LYS HA 1 1 1 496 1 1 32 LYS HB2 H 3.788 -6.827 -5.954 1.00 . A W . 32 LYS HB2 1 1 1 497 1 1 32 LYS HB3 H 2.113 -7.332 -6.128 1.00 . A W . 32 LYS HB3 1 1 1 498 1 1 32 LYS HD2 H 4.013 -7.219 -8.460 1.00 . A W . 32 LYS HD2 1 1 1 499 1 1 32 LYS HD3 H 2.313 -7.674 -8.476 1.00 . A W . 32 LYS HD3 1 1 1 500 1 1 32 LYS HE2 H 1.872 -5.864 -10.086 1.00 . A W . 32 LYS HE2 1 1 1 501 1 1 32 LYS HE3 H 3.597 -5.482 -10.102 1.00 . A W . 32 LYS HE3 1 1 1 502 1 1 32 LYS HG2 H 1.745 -5.412 -7.655 1.00 . A W . 32 LYS HG2 1 1 1 503 1 1 32 LYS HG3 H 3.472 -5.053 -7.548 1.00 . A W . 32 LYS HG3 1 1 1 504 1 1 32 LYS HZ1 H 4.052 -7.703 -10.920 1.00 . A W . 32 LYS HZ1 1 1 1 505 1 1 32 LYS HZ2 H 2.972 -6.908 -11.959 1.00 . A W . 32 LYS HZ2 1 1 1 506 1 1 32 LYS HZ3 H 2.398 -8.087 -10.883 1.00 . A W . 32 LYS HZ3 1 1 1 507 1 1 32 LYS N N 3.400 -4.541 -4.756 1.00 . A W . 32 LYS N 1 1 1 508 1 1 32 LYS NZ N 3.089 -7.310 -11.008 1.00 . A W . 32 LYS NZ 1 1 1 509 1 1 32 LYS O O 3.015 -6.937 -3.106 1.00 . A W . 32 LYS O 1 1 1 510 1 1 33 PRO C C 0.468 -8.915 -2.717 1.00 . A W . 33 PRO C 1 1 1 511 1 1 33 PRO CA C 0.295 -7.432 -2.353 1.00 . A W . 33 PRO CA 1 1 1 512 1 1 33 PRO CB C -1.202 -7.094 -2.334 1.00 . A W . 33 PRO CB 1 1 1 513 1 1 33 PRO CD C -0.250 -5.625 -3.890 1.00 . A W . 33 PRO CD 1 1 1 514 1 1 33 PRO CG C -1.262 -5.690 -2.795 1.00 . A W . 33 PRO CG 1 1 1 515 1 1 33 PRO HA H 0.728 -7.239 -1.386 1.00 . A W . 33 PRO HA 1 1 1 516 1 1 33 PRO HB2 H -1.726 -7.747 -3.019 1.00 . A W . 33 PRO HB2 1 1 1 517 1 1 33 PRO HB3 H -1.595 -7.206 -1.341 1.00 . A W . 33 PRO HB3 1 1 1 518 1 1 33 PRO HD2 H -0.664 -6.001 -4.814 1.00 . A W . 33 PRO HD2 1 1 1 519 1 1 33 PRO HD3 H 0.114 -4.618 -4.014 1.00 . A W . 33 PRO HD3 1 1 1 520 1 1 33 PRO HG2 H -2.249 -5.462 -3.170 1.00 . A W . 33 PRO HG2 1 1 1 521 1 1 33 PRO HG3 H -0.993 -5.020 -1.992 1.00 . A W . 33 PRO HG3 1 1 1 522 1 1 33 PRO N N 0.810 -6.507 -3.382 1.00 . A W . 33 PRO N 1 1 1 523 1 1 33 PRO O O 0.997 -9.250 -3.774 1.00 . A W . 33 PRO O 1 1 1 524 1 1 34 GLN C C -0.767 -11.757 -3.119 1.00 . A W . 34 GLN C 1 1 1 525 1 1 34 GLN CA C 0.145 -11.238 -2.013 1.00 . A W . 34 GLN CA 1 1 1 526 1 1 34 GLN CB C -0.165 -11.971 -0.703 1.00 . A W . 34 GLN CB 1 1 1 527 1 1 34 GLN CD C 0.341 -12.247 1.763 1.00 . A W . 34 GLN CD 1 1 1 528 1 1 34 GLN CG C 0.688 -11.523 0.475 1.00 . A W . 34 GLN CG 1 1 1 529 1 1 34 GLN H H -0.464 -9.462 -1.026 1.00 . A W . 34 GLN H 1 1 1 530 1 1 34 GLN HA H 1.168 -11.436 -2.288 1.00 . A W . 34 GLN HA 1 1 1 531 1 1 34 GLN HB2 H -1.201 -11.804 -0.447 1.00 . A W . 34 GLN HB2 1 1 1 532 1 1 34 GLN HB3 H -0.007 -13.029 -0.848 1.00 . A W . 34 GLN HB3 1 1 1 533 1 1 34 GLN HE21 H -1.520 -12.559 1.132 1.00 . A W . 34 GLN HE21 1 1 1 534 1 1 34 GLN HE22 H -1.153 -13.159 2.710 1.00 . A W . 34 GLN HE22 1 1 1 535 1 1 34 GLN HG2 H 1.727 -11.712 0.243 1.00 . A W . 34 GLN HG2 1 1 1 536 1 1 34 GLN HG3 H 0.544 -10.462 0.627 1.00 . A W . 34 GLN HG3 1 1 1 537 1 1 34 GLN N N -0.003 -9.795 -1.832 1.00 . A W . 34 GLN N 1 1 1 538 1 1 34 GLN NE2 N -0.901 -12.703 1.877 1.00 . A W . 34 GLN NE2 1 1 1 539 1 1 34 GLN O O -0.317 -12.439 -4.043 1.00 . A W . 34 GLN O 1 1 1 540 1 1 34 GLN OE1 O 1.187 -12.419 2.640 1.00 . A W . 34 GLN OE1 1 1 1 541 1 1 35 GLU C C -2.974 -11.067 -5.273 1.00 . A W . 35 GLU C 1 1 1 542 1 1 35 GLU CA C -3.017 -11.905 -4.010 1.00 . A W . 35 GLU CA 1 1 1 543 1 1 35 GLU CB C -4.425 -11.923 -3.427 1.00 . A W . 35 GLU CB 1 1 1 544 1 1 35 GLU CD C -4.228 -14.398 -3.088 1.00 . A W . 35 GLU CD 1 1 1 545 1 1 35 GLU CG C -4.648 -13.080 -2.475 1.00 . A W . 35 GLU CG 1 1 1 546 1 1 35 GLU H H -2.353 -10.873 -2.286 1.00 . A W . 35 GLU H 1 1 1 547 1 1 35 GLU HA H -2.743 -12.914 -4.271 1.00 . A W . 35 GLU HA 1 1 1 548 1 1 35 GLU HB2 H -4.595 -11.000 -2.888 1.00 . A W . 35 GLU HB2 1 1 1 549 1 1 35 GLU HB3 H -5.137 -12.000 -4.233 1.00 . A W . 35 GLU HB3 1 1 1 550 1 1 35 GLU HG2 H -4.067 -12.909 -1.579 1.00 . A W . 35 GLU HG2 1 1 1 551 1 1 35 GLU HG3 H -5.696 -13.130 -2.222 1.00 . A W . 35 GLU HG3 1 1 1 552 1 1 35 GLU N N -2.052 -11.434 -3.028 1.00 . A W . 35 GLU N 1 1 1 553 1 1 35 GLU O O -3.350 -11.527 -6.348 1.00 . A W . 35 GLU O 1 1 1 554 1 1 35 GLU OE1 O -4.692 -14.714 -4.201 1.00 . A W . 35 GLU OE1 1 1 1 555 1 1 35 GLU OE2 O -3.412 -15.110 -2.473 1.00 . A W . 35 GLU OE2 1 1 1 556 1 1 36 LEU C C -0.987 -9.250 -6.947 1.00 . A W . 36 LEU C 1 1 1 557 1 1 36 LEU CA C -2.333 -8.970 -6.274 1.00 . A W . 36 LEU CA 1 1 1 558 1 1 36 LEU CB C -2.459 -7.519 -5.807 1.00 . A W . 36 LEU CB 1 1 1 559 1 1 36 LEU CD1 C -2.796 -6.725 -8.171 1.00 . A W . 36 LEU CD1 1 1 1 560 1 1 36 LEU CD2 C -2.509 -5.073 -6.322 1.00 . A W . 36 LEU CD2 1 1 1 561 1 1 36 LEU CG C -2.114 -6.448 -6.837 1.00 . A W . 36 LEU CG 1 1 1 562 1 1 36 LEU H H -2.233 -9.536 -4.250 1.00 . A W . 36 LEU H 1 1 1 563 1 1 36 LEU HA H -3.125 -9.187 -6.972 1.00 . A W . 36 LEU HA 1 1 1 564 1 1 36 LEU HB2 H -3.477 -7.362 -5.486 1.00 . A W . 36 LEU HB2 1 1 1 565 1 1 36 LEU HB3 H -1.810 -7.385 -4.954 1.00 . A W . 36 LEU HB3 1 1 1 566 1 1 36 LEU HD11 H -2.472 -7.684 -8.549 1.00 . A W . 36 LEU HD11 1 1 1 567 1 1 36 LEU HD12 H -2.536 -5.951 -8.878 1.00 . A W . 36 LEU HD12 1 1 1 568 1 1 36 LEU HD13 H -3.866 -6.738 -8.029 1.00 . A W . 36 LEU HD13 1 1 1 569 1 1 36 LEU HD21 H -1.932 -4.835 -5.439 1.00 . A W . 36 LEU HD21 1 1 1 570 1 1 36 LEU HD22 H -3.565 -5.067 -6.073 1.00 . A W . 36 LEU HD22 1 1 1 571 1 1 36 LEU HD23 H -2.318 -4.336 -7.085 1.00 . A W . 36 LEU HD23 1 1 1 572 1 1 36 LEU HG H -1.048 -6.456 -6.983 1.00 . A W . 36 LEU HG 1 1 1 573 1 1 36 LEU N N -2.498 -9.848 -5.138 1.00 . A W . 36 LEU N 1 1 1 574 1 1 36 LEU O O 0.067 -8.819 -6.474 1.00 . A W . 36 LEU O 1 1 1 575 1 1 37 LYS C C 0.417 -9.923 -10.019 1.00 . A W . 37 LYS C 1 1 1 576 1 1 37 LYS CA C 0.156 -10.550 -8.657 1.00 . A W . 37 LYS CA 1 1 1 577 1 1 37 LYS CB C -0.007 -12.068 -8.790 1.00 . A W . 37 LYS CB 1 1 1 578 1 1 37 LYS CD C -0.718 -14.218 -7.686 1.00 . A W . 37 LYS CD 1 1 1 579 1 1 37 LYS CE C -1.432 -14.822 -6.484 1.00 . A W . 37 LYS CE 1 1 1 580 1 1 37 LYS CG C -0.499 -12.727 -7.510 1.00 . A W . 37 LYS CG 1 1 1 581 1 1 37 LYS H H -1.909 -10.131 -8.486 1.00 . A W . 37 LYS H 1 1 1 582 1 1 37 LYS HA H 0.990 -10.342 -8.008 1.00 . A W . 37 LYS HA 1 1 1 583 1 1 37 LYS HB2 H -0.717 -12.276 -9.578 1.00 . A W . 37 LYS HB2 1 1 1 584 1 1 37 LYS HB3 H 0.947 -12.503 -9.050 1.00 . A W . 37 LYS HB3 1 1 1 585 1 1 37 LYS HD2 H -1.314 -14.385 -8.570 1.00 . A W . 37 LYS HD2 1 1 1 586 1 1 37 LYS HD3 H 0.242 -14.700 -7.799 1.00 . A W . 37 LYS HD3 1 1 1 587 1 1 37 LYS HE2 H -1.453 -15.894 -6.599 1.00 . A W . 37 LYS HE2 1 1 1 588 1 1 37 LYS HE3 H -0.881 -14.569 -5.593 1.00 . A W . 37 LYS HE3 1 1 1 589 1 1 37 LYS HG2 H 0.239 -12.577 -6.737 1.00 . A W . 37 LYS HG2 1 1 1 590 1 1 37 LYS HG3 H -1.431 -12.265 -7.213 1.00 . A W . 37 LYS HG3 1 1 1 591 1 1 37 LYS HZ1 H -3.273 -14.719 -5.484 1.00 . A W . 37 LYS HZ1 1 1 1 592 1 1 37 LYS HZ2 H -3.396 -14.619 -7.173 1.00 . A W . 37 LYS HZ2 1 1 1 593 1 1 37 LYS HZ3 H -2.843 -13.290 -6.291 1.00 . A W . 37 LYS HZ3 1 1 1 594 1 1 37 LYS N N -1.040 -9.984 -8.051 1.00 . A W . 37 LYS N 1 1 1 595 1 1 37 LYS NZ N -2.830 -14.327 -6.347 1.00 . A W . 37 LYS NZ 1 1 1 596 1 1 37 LYS O O -0.329 -10.234 -10.969 1.00 . A W . 37 LYS O 1 1 1 597 1 1 37 LYS OXT O 1.371 -9.128 -10.134 1.00 . A W . 37 LYS OXT 1 1 1 598 2 2 1 PRO C C -2.923 12.993 0.355 1.00 . B P . 101 PRO C 1 1 1 599 2 2 1 PRO CA C -3.174 14.462 0.046 1.00 . B P . 101 PRO CA 1 1 1 600 2 2 1 PRO CB C -2.946 15.306 1.293 1.00 . B P . 101 PRO CB 1 1 1 601 2 2 1 PRO CD C -5.077 15.828 0.306 1.00 . B P . 101 PRO CD 1 1 1 602 2 2 1 PRO CG C -4.296 15.856 1.601 1.00 . B P . 101 PRO CG 1 1 1 603 2 2 1 PRO H2 H -5.043 13.737 -0.203 1.00 . B P . 101 PRO H2 1 1 1 604 2 2 1 PRO H3 H -4.520 14.654 -1.451 1.00 . B P . 101 PRO H3 1 1 1 605 2 2 1 PRO HA H -2.510 14.786 -0.743 1.00 . B P . 101 PRO HA 1 1 1 606 2 2 1 PRO HB2 H -2.582 14.677 2.095 1.00 . B P . 101 PRO HB2 1 1 1 607 2 2 1 PRO HB3 H -2.233 16.091 1.084 1.00 . B P . 101 PRO HB3 1 1 1 608 2 2 1 PRO HD2 H -6.134 15.731 0.509 1.00 . B P . 101 PRO HD2 1 1 1 609 2 2 1 PRO HD3 H -4.885 16.724 -0.268 1.00 . B P . 101 PRO HD3 1 1 1 610 2 2 1 PRO HG2 H -4.779 15.240 2.345 1.00 . B P . 101 PRO HG2 1 1 1 611 2 2 1 PRO HG3 H -4.203 16.870 1.958 1.00 . B P . 101 PRO HG3 1 1 1 612 2 2 1 PRO N N -4.575 14.640 -0.401 1.00 . B P . 101 PRO N 1 1 1 613 2 2 1 PRO O O -3.776 12.339 0.950 1.00 . B P . 101 PRO O 1 1 1 614 2 2 2 PRO C C -1.067 10.694 1.578 1.00 . B P . 102 PRO C 1 1 1 615 2 2 2 PRO CA C -1.497 11.018 0.149 1.00 . B P . 102 PRO CA 1 1 1 616 2 2 2 PRO CB C -0.351 10.752 -0.827 1.00 . B P . 102 PRO CB 1 1 1 617 2 2 2 PRO CD C -0.665 13.134 -0.727 1.00 . B P . 102 PRO CD 1 1 1 618 2 2 2 PRO CG C 0.368 12.055 -0.933 1.00 . B P . 102 PRO CG 1 1 1 619 2 2 2 PRO HA H -2.347 10.404 -0.117 1.00 . B P . 102 PRO HA 1 1 1 620 2 2 2 PRO HB2 H 0.293 9.979 -0.433 1.00 . B P . 102 PRO HB2 1 1 1 621 2 2 2 PRO HB3 H -0.751 10.444 -1.781 1.00 . B P . 102 PRO HB3 1 1 1 622 2 2 2 PRO HD2 H -0.272 13.917 -0.096 1.00 . B P . 102 PRO HD2 1 1 1 623 2 2 2 PRO HD3 H -0.982 13.539 -1.677 1.00 . B P . 102 PRO HD3 1 1 1 624 2 2 2 PRO HG2 H 1.132 12.116 -0.169 1.00 . B P . 102 PRO HG2 1 1 1 625 2 2 2 PRO HG3 H 0.813 12.147 -1.911 1.00 . B P . 102 PRO HG3 1 1 1 626 2 2 2 PRO N N -1.775 12.437 -0.057 1.00 . B P . 102 PRO N 1 1 1 627 2 2 2 PRO O O -0.450 11.514 2.261 1.00 . B P . 102 PRO O 1 1 1 628 2 2 3 PRO C C 0.499 8.409 3.177 1.00 . B P . 103 PRO C 1 1 1 629 2 2 3 PRO CA C -0.925 8.937 3.303 1.00 . B P . 103 PRO CA 1 1 1 630 2 2 3 PRO CB C -1.898 7.775 3.587 1.00 . B P . 103 PRO CB 1 1 1 631 2 2 3 PRO CD C -2.301 8.557 1.368 1.00 . B P . 103 PRO CD 1 1 1 632 2 2 3 PRO CG C -2.935 7.837 2.510 1.00 . B P . 103 PRO CG 1 1 1 633 2 2 3 PRO HA H -0.976 9.661 4.101 1.00 . B P . 103 PRO HA 1 1 1 634 2 2 3 PRO HB2 H -1.362 6.836 3.554 1.00 . B P . 103 PRO HB2 1 1 1 635 2 2 3 PRO HB3 H -2.340 7.906 4.564 1.00 . B P . 103 PRO HB3 1 1 1 636 2 2 3 PRO HD2 H -1.751 7.870 0.743 1.00 . B P . 103 PRO HD2 1 1 1 637 2 2 3 PRO HD3 H -3.044 9.087 0.794 1.00 . B P . 103 PRO HD3 1 1 1 638 2 2 3 PRO HG2 H -3.213 6.840 2.205 1.00 . B P . 103 PRO HG2 1 1 1 639 2 2 3 PRO HG3 H -3.802 8.381 2.860 1.00 . B P . 103 PRO HG3 1 1 1 640 2 2 3 PRO N N -1.405 9.488 2.042 1.00 . B P . 103 PRO N 1 1 1 641 2 2 3 PRO O O 0.896 7.943 2.105 1.00 . B P . 103 PRO O 1 1 1 642 2 2 4 LEU C C 2.226 6.278 4.531 1.00 . B P . 104 LEU C 1 1 1 643 2 2 4 LEU CA C 2.530 7.743 4.263 1.00 . B P . 104 LEU CA 1 1 1 644 2 2 4 LEU CB C 3.492 8.293 5.325 1.00 . B P . 104 LEU CB 1 1 1 645 2 2 4 LEU CD1 C 5.083 9.307 3.661 1.00 . B P . 104 LEU CD1 1 1 1 646 2 2 4 LEU CD2 C 3.346 10.748 4.761 1.00 . B P . 104 LEU CD2 1 1 1 647 2 2 4 LEU CG C 4.273 9.552 4.928 1.00 . B P . 104 LEU CG 1 1 1 648 2 2 4 LEU H H 0.996 8.997 5.029 1.00 . B P . 104 LEU H 1 1 1 649 2 2 4 LEU HA H 2.980 7.834 3.288 1.00 . B P . 104 LEU HA 1 1 1 650 2 2 4 LEU HB2 H 2.921 8.518 6.215 1.00 . B P . 104 LEU HB2 1 1 1 651 2 2 4 LEU HB3 H 4.209 7.519 5.566 1.00 . B P . 104 LEU HB3 1 1 1 652 2 2 4 LEU HD11 H 5.782 8.501 3.831 1.00 . B P . 104 LEU HD11 1 1 1 653 2 2 4 LEU HD12 H 5.627 10.203 3.398 1.00 . B P . 104 LEU HD12 1 1 1 654 2 2 4 LEU HD13 H 4.418 9.041 2.856 1.00 . B P . 104 LEU HD13 1 1 1 655 2 2 4 LEU HD21 H 2.619 10.535 3.993 1.00 . B P . 104 LEU HD21 1 1 1 656 2 2 4 LEU HD22 H 3.924 11.617 4.482 1.00 . B P . 104 LEU HD22 1 1 1 657 2 2 4 LEU HD23 H 2.837 10.941 5.693 1.00 . B P . 104 LEU HD23 1 1 1 658 2 2 4 LEU HG H 4.970 9.780 5.716 1.00 . B P . 104 LEU HG 1 1 1 659 2 2 4 LEU N N 1.273 8.469 4.249 1.00 . B P . 104 LEU N 1 1 1 660 2 2 4 LEU O O 1.251 5.964 5.220 1.00 . B P . 104 LEU O 1 1 1 661 2 2 5 ILE C C 3.410 3.623 5.645 1.00 . B P . 105 ILE C 1 1 1 662 2 2 5 ILE CA C 2.842 3.964 4.262 1.00 . B P . 105 ILE CA 1 1 1 663 2 2 5 ILE CB C 3.525 3.063 3.181 1.00 . B P . 105 ILE CB 1 1 1 664 2 2 5 ILE CD1 C 3.233 4.651 1.189 1.00 . B P . 105 ILE CD1 1 1 1 665 2 2 5 ILE CG1 C 2.950 3.285 1.786 1.00 . B P . 105 ILE CG1 1 1 1 666 2 2 5 ILE CG2 C 3.351 1.589 3.519 1.00 . B P . 105 ILE CG2 1 1 1 667 2 2 5 ILE H H 3.760 5.670 3.405 1.00 . B P . 105 ILE H 1 1 1 668 2 2 5 ILE HA H 1.782 3.763 4.258 1.00 . B P . 105 ILE HA 1 1 1 669 2 2 5 ILE HB H 4.597 3.296 3.155 1.00 . B P . 105 ILE HB 1 1 1 670 2 2 5 ILE HD11 H 4.017 4.569 0.449 1.00 . B P . 105 ILE HD11 1 1 1 671 2 2 5 ILE HD12 H 3.540 5.329 1.974 1.00 . B P . 105 ILE HD12 1 1 1 672 2 2 5 ILE HD13 H 2.330 5.032 0.722 1.00 . B P . 105 ILE HD13 1 1 1 673 2 2 5 ILE HG12 H 3.386 2.536 1.127 1.00 . B P . 105 ILE HG12 1 1 1 674 2 2 5 ILE HG13 H 1.877 3.146 1.822 1.00 . B P . 105 ILE HG13 1 1 1 675 2 2 5 ILE HG21 H 2.301 1.341 3.515 1.00 . B P . 105 ILE HG21 1 1 1 676 2 2 5 ILE HG22 H 3.762 1.391 4.498 1.00 . B P . 105 ILE HG22 1 1 1 677 2 2 5 ILE HG23 H 3.864 0.987 2.785 1.00 . B P . 105 ILE HG23 1 1 1 678 2 2 5 ILE N N 3.032 5.380 3.990 1.00 . B P . 105 ILE N 1 1 1 679 2 2 5 ILE O O 4.374 4.248 6.088 1.00 . B P . 105 ILE O 1 1 1 680 2 2 6 PRO C C 4.538 0.996 6.997 1.00 . B P . 106 PRO C 1 1 1 681 2 2 6 PRO CA C 3.501 2.009 7.489 1.00 . B P . 106 PRO CA 1 1 1 682 2 2 6 PRO CB C 2.347 1.309 8.217 1.00 . B P . 106 PRO CB 1 1 1 683 2 2 6 PRO CD C 1.470 2.117 6.143 1.00 . B P . 106 PRO CD 1 1 1 684 2 2 6 PRO CG C 1.354 1.008 7.150 1.00 . B P . 106 PRO CG 1 1 1 685 2 2 6 PRO HA H 3.971 2.735 8.138 1.00 . B P . 106 PRO HA 1 1 1 686 2 2 6 PRO HB2 H 2.704 0.407 8.691 1.00 . B P . 106 PRO HB2 1 1 1 687 2 2 6 PRO HB3 H 1.934 1.973 8.960 1.00 . B P . 106 PRO HB3 1 1 1 688 2 2 6 PRO HD2 H 1.361 1.729 5.141 1.00 . B P . 106 PRO HD2 1 1 1 689 2 2 6 PRO HD3 H 0.729 2.880 6.335 1.00 . B P . 106 PRO HD3 1 1 1 690 2 2 6 PRO HG2 H 1.587 0.060 6.690 1.00 . B P . 106 PRO HG2 1 1 1 691 2 2 6 PRO HG3 H 0.359 0.989 7.565 1.00 . B P . 106 PRO HG3 1 1 1 692 2 2 6 PRO N N 2.829 2.642 6.355 1.00 . B P . 106 PRO N 1 1 1 693 2 2 6 PRO O O 4.355 0.375 5.955 1.00 . B P . 106 PRO O 1 1 1 694 2 2 7 PRO C C 6.186 -1.616 7.665 1.00 . B P . 107 PRO C 1 1 1 695 2 2 7 PRO CA C 6.626 -0.196 7.326 1.00 . B P . 107 PRO CA 1 1 1 696 2 2 7 PRO CB C 7.870 0.194 8.139 1.00 . B P . 107 PRO CB 1 1 1 697 2 2 7 PRO CD C 6.002 1.480 8.958 1.00 . B P . 107 PRO CD 1 1 1 698 2 2 7 PRO CG C 7.503 1.422 8.916 1.00 . B P . 107 PRO CG 1 1 1 699 2 2 7 PRO HA H 6.841 -0.131 6.263 1.00 . B P . 107 PRO HA 1 1 1 700 2 2 7 PRO HB2 H 8.132 -0.619 8.800 1.00 . B P . 107 PRO HB2 1 1 1 701 2 2 7 PRO HB3 H 8.691 0.389 7.466 1.00 . B P . 107 PRO HB3 1 1 1 702 2 2 7 PRO HD2 H 5.625 0.961 9.826 1.00 . B P . 107 PRO HD2 1 1 1 703 2 2 7 PRO HD3 H 5.658 2.505 8.946 1.00 . B P . 107 PRO HD3 1 1 1 704 2 2 7 PRO HG2 H 7.900 1.347 9.917 1.00 . B P . 107 PRO HG2 1 1 1 705 2 2 7 PRO HG3 H 7.899 2.298 8.422 1.00 . B P . 107 PRO HG3 1 1 1 706 2 2 7 PRO N N 5.631 0.790 7.724 1.00 . B P . 107 PRO N 1 1 1 707 2 2 7 PRO O O 5.475 -1.834 8.646 1.00 . B P . 107 PRO O 1 1 1 708 2 2 8 PRO C C 7.414 -4.494 8.210 1.00 . B P . 108 PRO C 1 1 1 709 2 2 8 PRO CA C 6.404 -4.012 7.174 1.00 . B P . 108 PRO CA 1 1 1 710 2 2 8 PRO CB C 6.627 -4.726 5.828 1.00 . B P . 108 PRO CB 1 1 1 711 2 2 8 PRO CD C 7.267 -2.433 5.569 1.00 . B P . 108 PRO CD 1 1 1 712 2 2 8 PRO CG C 6.795 -3.638 4.812 1.00 . B P . 108 PRO CG 1 1 1 713 2 2 8 PRO HA H 5.403 -4.202 7.529 1.00 . B P . 108 PRO HA 1 1 1 714 2 2 8 PRO HB2 H 7.511 -5.342 5.891 1.00 . B P . 108 PRO HB2 1 1 1 715 2 2 8 PRO HB3 H 5.770 -5.344 5.602 1.00 . B P . 108 PRO HB3 1 1 1 716 2 2 8 PRO HD2 H 8.342 -2.451 5.675 1.00 . B P . 108 PRO HD2 1 1 1 717 2 2 8 PRO HD3 H 6.945 -1.525 5.084 1.00 . B P . 108 PRO HD3 1 1 1 718 2 2 8 PRO HG2 H 7.531 -3.933 4.078 1.00 . B P . 108 PRO HG2 1 1 1 719 2 2 8 PRO HG3 H 5.850 -3.434 4.334 1.00 . B P . 108 PRO HG3 1 1 1 720 2 2 8 PRO N N 6.605 -2.602 6.862 1.00 . B P . 108 PRO N 1 1 1 721 2 2 8 PRO O O 8.529 -3.971 8.274 1.00 . B P . 108 PRO O 1 1 1 722 2 2 9 PRO C C 8.884 -7.079 9.373 1.00 . B P . 109 PRO C 1 1 1 723 2 2 9 PRO CA C 7.938 -6.071 10.026 1.00 . B P . 109 PRO CA 1 1 1 724 2 2 9 PRO CB C 6.993 -6.777 11.020 1.00 . B P . 109 PRO CB 1 1 1 725 2 2 9 PRO CD C 5.689 -6.053 9.141 1.00 . B P . 109 PRO CD 1 1 1 726 2 2 9 PRO CG C 5.598 -6.425 10.588 1.00 . B P . 109 PRO CG 1 1 1 727 2 2 9 PRO HA H 8.517 -5.319 10.544 1.00 . B P . 109 PRO HA 1 1 1 728 2 2 9 PRO HB2 H 7.160 -7.844 10.976 1.00 . B P . 109 PRO HB2 1 1 1 729 2 2 9 PRO HB3 H 7.193 -6.423 12.018 1.00 . B P . 109 PRO HB3 1 1 1 730 2 2 9 PRO HD2 H 5.599 -6.933 8.517 1.00 . B P . 109 PRO HD2 1 1 1 731 2 2 9 PRO HD3 H 4.932 -5.327 8.889 1.00 . B P . 109 PRO HD3 1 1 1 732 2 2 9 PRO HG2 H 4.949 -7.280 10.711 1.00 . B P . 109 PRO HG2 1 1 1 733 2 2 9 PRO HG3 H 5.235 -5.590 11.169 1.00 . B P . 109 PRO HG3 1 1 1 734 2 2 9 PRO N N 7.032 -5.470 9.050 1.00 . B P . 109 PRO N 1 1 1 735 2 2 9 PRO O O 8.591 -8.290 9.423 1.00 . B P . 109 PRO O 1 1 1 736 2 2 9 PRO OXT O 9.908 -6.654 8.795 1.00 . B P . 109 PRO OXT 1 1 2 737 1 1 1 GLY C C -16.255 -18.782 2.345 1.00 . A W . 1 GLY C 1 1 2 738 1 1 1 GLY CA C -17.605 -19.412 2.620 1.00 . A W . 1 GLY CA 1 1 2 739 1 1 1 GLY H1 H -18.129 -19.654 0.615 1.00 . A W . 1 GLY H1 1 1 2 740 1 1 1 GLY H2 H -19.028 -20.617 1.686 1.00 . A W . 1 GLY H2 1 1 2 741 1 1 1 GLY H3 H -17.430 -21.031 1.316 1.00 . A W . 1 GLY H3 1 1 2 742 1 1 1 GLY HA2 H -18.323 -18.630 2.818 1.00 . A W . 1 GLY HA2 1 1 2 743 1 1 1 GLY HA3 H -17.524 -20.041 3.495 1.00 . A W . 1 GLY HA3 1 1 2 744 1 1 1 GLY N N -18.080 -20.234 1.482 1.00 . A W . 1 GLY N 1 1 2 745 1 1 1 GLY O O -15.213 -19.399 2.578 1.00 . A W . 1 GLY O 1 1 2 746 1 1 2 ALA C C -15.121 -15.396 2.040 1.00 . A W . 2 ALA C 1 1 2 747 1 1 2 ALA CA C -15.032 -16.836 1.549 1.00 . A W . 2 ALA CA 1 1 2 748 1 1 2 ALA CB C -14.733 -16.862 0.059 1.00 . A W . 2 ALA CB 1 1 2 749 1 1 2 ALA H H -17.125 -17.123 1.644 1.00 . A W . 2 ALA H 1 1 2 750 1 1 2 ALA HA H -14.223 -17.335 2.063 1.00 . A W . 2 ALA HA 1 1 2 751 1 1 2 ALA HB1 H -13.787 -16.371 -0.126 1.00 . A W . 2 ALA HB1 1 1 2 752 1 1 2 ALA HB2 H -15.517 -16.346 -0.474 1.00 . A W . 2 ALA HB2 1 1 2 753 1 1 2 ALA HB3 H -14.680 -17.887 -0.280 1.00 . A W . 2 ALA HB3 1 1 2 754 1 1 2 ALA N N -16.265 -17.557 1.835 1.00 . A W . 2 ALA N 1 1 2 755 1 1 2 ALA O O -16.158 -14.970 2.550 1.00 . A W . 2 ALA O 1 1 2 756 1 1 3 THR C C -13.630 -12.359 1.129 1.00 . A W . 3 THR C 1 1 2 757 1 1 3 THR CA C -13.987 -13.266 2.298 1.00 . A W . 3 THR CA 1 1 2 758 1 1 3 THR CB C -12.970 -13.071 3.436 1.00 . A W . 3 THR CB 1 1 2 759 1 1 3 THR CG2 C -13.545 -13.526 4.770 1.00 . A W . 3 THR CG2 1 1 2 760 1 1 3 THR H H -13.241 -15.048 1.449 1.00 . A W . 3 THR H 1 1 2 761 1 1 3 THR HA H -14.966 -12.992 2.664 1.00 . A W . 3 THR HA 1 1 2 762 1 1 3 THR HB H -12.725 -12.019 3.503 1.00 . A W . 3 THR HB 1 1 2 763 1 1 3 THR HG1 H -11.714 -14.562 3.752 1.00 . A W . 3 THR HG1 1 1 2 764 1 1 3 THR HG21 H -14.449 -12.973 4.980 1.00 . A W . 3 THR HG21 1 1 2 765 1 1 3 THR HG22 H -12.822 -13.349 5.553 1.00 . A W . 3 THR HG22 1 1 2 766 1 1 3 THR HG23 H -13.774 -14.583 4.724 1.00 . A W . 3 THR HG23 1 1 2 767 1 1 3 THR N N -14.035 -14.655 1.876 1.00 . A W . 3 THR N 1 1 2 768 1 1 3 THR O O -13.098 -12.818 0.116 1.00 . A W . 3 THR O 1 1 2 769 1 1 3 THR OG1 O -11.777 -13.813 3.150 1.00 . A W . 3 THR OG1 1 1 2 770 1 1 4 ALA C C -12.198 -9.629 0.327 1.00 . A W . 4 ALA C 1 1 2 771 1 1 4 ALA CA C -13.641 -10.110 0.222 1.00 . A W . 4 ALA CA 1 1 2 772 1 1 4 ALA CB C -14.607 -8.934 0.297 1.00 . A W . 4 ALA CB 1 1 2 773 1 1 4 ALA H H -14.372 -10.769 2.090 1.00 . A W . 4 ALA H 1 1 2 774 1 1 4 ALA HA H -13.778 -10.599 -0.730 1.00 . A W . 4 ALA HA 1 1 2 775 1 1 4 ALA HB1 H -14.490 -8.431 1.244 1.00 . A W . 4 ALA HB1 1 1 2 776 1 1 4 ALA HB2 H -15.622 -9.292 0.202 1.00 . A W . 4 ALA HB2 1 1 2 777 1 1 4 ALA HB3 H -14.392 -8.245 -0.506 1.00 . A W . 4 ALA HB3 1 1 2 778 1 1 4 ALA N N -13.938 -11.077 1.265 1.00 . A W . 4 ALA N 1 1 2 779 1 1 4 ALA O O -11.887 -8.734 1.113 1.00 . A W . 4 ALA O 1 1 2 780 1 1 5 VAL C C -9.557 -9.124 -1.756 1.00 . A W . 5 VAL C 1 1 2 781 1 1 5 VAL CA C -9.911 -9.859 -0.460 1.00 . A W . 5 VAL CA 1 1 2 782 1 1 5 VAL CB C -8.978 -11.079 -0.246 1.00 . A W . 5 VAL CB 1 1 2 783 1 1 5 VAL CG1 C -9.081 -11.575 1.185 1.00 . A W . 5 VAL CG1 1 1 2 784 1 1 5 VAL CG2 C -9.314 -12.214 -1.202 1.00 . A W . 5 VAL CG2 1 1 2 785 1 1 5 VAL H H -11.618 -10.973 -1.029 1.00 . A W . 5 VAL H 1 1 2 786 1 1 5 VAL HA H -9.756 -9.179 0.368 1.00 . A W . 5 VAL HA 1 1 2 787 1 1 5 VAL HB H -7.957 -10.771 -0.427 1.00 . A W . 5 VAL HB 1 1 2 788 1 1 5 VAL HG11 H -10.101 -11.862 1.393 1.00 . A W . 5 VAL HG11 1 1 2 789 1 1 5 VAL HG12 H -8.783 -10.786 1.859 1.00 . A W . 5 VAL HG12 1 1 2 790 1 1 5 VAL HG13 H -8.432 -12.427 1.319 1.00 . A W . 5 VAL HG13 1 1 2 791 1 1 5 VAL HG21 H -9.199 -11.870 -2.219 1.00 . A W . 5 VAL HG21 1 1 2 792 1 1 5 VAL HG22 H -10.333 -12.532 -1.040 1.00 . A W . 5 VAL HG22 1 1 2 793 1 1 5 VAL HG23 H -8.644 -13.045 -1.025 1.00 . A W . 5 VAL HG23 1 1 2 794 1 1 5 VAL N N -11.317 -10.242 -0.447 1.00 . A W . 5 VAL N 1 1 2 795 1 1 5 VAL O O -9.241 -9.738 -2.776 1.00 . A W . 5 VAL O 1 1 2 796 1 1 6 SER C C -9.625 -5.484 -2.457 1.00 . A W . 6 SER C 1 1 2 797 1 1 6 SER CA C -9.356 -6.931 -2.840 1.00 . A W . 6 SER CA 1 1 2 798 1 1 6 SER CB C -10.190 -7.312 -4.083 1.00 . A W . 6 SER CB 1 1 2 799 1 1 6 SER H H -9.952 -7.383 -0.866 1.00 . A W . 6 SER H 1 1 2 800 1 1 6 SER HA H -8.308 -7.033 -3.070 1.00 . A W . 6 SER HA 1 1 2 801 1 1 6 SER HB2 H -10.071 -8.355 -4.278 1.00 . A W . 6 SER HB2 1 1 2 802 1 1 6 SER HB3 H -11.231 -7.092 -3.899 1.00 . A W . 6 SER HB3 1 1 2 803 1 1 6 SER HG H -9.027 -7.075 -5.656 1.00 . A W . 6 SER HG 1 1 2 804 1 1 6 SER N N -9.662 -7.798 -1.705 1.00 . A W . 6 SER N 1 1 2 805 1 1 6 SER O O -9.485 -5.102 -1.291 1.00 . A W . 6 SER O 1 1 2 806 1 1 6 SER OG O -9.769 -6.603 -5.241 1.00 . A W . 6 SER OG 1 1 2 807 1 1 7 GLU C C -8.911 -2.562 -3.184 1.00 . A W . 7 GLU C 1 1 2 808 1 1 7 GLU CA C -10.235 -3.285 -3.340 1.00 . A W . 7 GLU CA 1 1 2 809 1 1 7 GLU CB C -11.224 -2.961 -2.213 1.00 . A W . 7 GLU CB 1 1 2 810 1 1 7 GLU CD C -13.624 -3.153 -1.416 1.00 . A W . 7 GLU CD 1 1 2 811 1 1 7 GLU CG C -12.632 -3.450 -2.520 1.00 . A W . 7 GLU CG 1 1 2 812 1 1 7 GLU H H -10.099 -5.125 -4.347 1.00 . A W . 7 GLU H 1 1 2 813 1 1 7 GLU HA H -10.671 -2.964 -4.276 1.00 . A W . 7 GLU HA 1 1 2 814 1 1 7 GLU HB2 H -10.890 -3.437 -1.301 1.00 . A W . 7 GLU HB2 1 1 2 815 1 1 7 GLU HB3 H -11.256 -1.892 -2.066 1.00 . A W . 7 GLU HB3 1 1 2 816 1 1 7 GLU HG2 H -12.975 -2.971 -3.426 1.00 . A W . 7 GLU HG2 1 1 2 817 1 1 7 GLU HG3 H -12.599 -4.518 -2.672 1.00 . A W . 7 GLU HG3 1 1 2 818 1 1 7 GLU N N -9.998 -4.708 -3.464 1.00 . A W . 7 GLU N 1 1 2 819 1 1 7 GLU O O -8.436 -2.283 -2.078 1.00 . A W . 7 GLU O 1 1 2 820 1 1 7 GLU OE1 O -14.183 -2.035 -1.398 1.00 . A W . 7 GLU OE1 1 1 2 821 1 1 7 GLU OE2 O -13.858 -4.041 -0.571 1.00 . A W . 7 GLU OE2 1 1 2 822 1 1 8 TRP C C -7.067 -0.389 -5.221 1.00 . A W . 8 TRP C 1 1 2 823 1 1 8 TRP CA C -7.003 -1.663 -4.403 1.00 . A W . 8 TRP CA 1 1 2 824 1 1 8 TRP CB C -5.999 -2.619 -5.071 1.00 . A W . 8 TRP CB 1 1 2 825 1 1 8 TRP CD1 C -6.238 -5.176 -5.043 1.00 . A W . 8 TRP CD1 1 1 2 826 1 1 8 TRP CD2 C -5.705 -4.254 -3.089 1.00 . A W . 8 TRP CD2 1 1 2 827 1 1 8 TRP CE2 C -5.808 -5.644 -2.908 1.00 . A W . 8 TRP CE2 1 1 2 828 1 1 8 TRP CE3 C -5.382 -3.450 -2.009 1.00 . A W . 8 TRP CE3 1 1 2 829 1 1 8 TRP CG C -5.973 -3.976 -4.449 1.00 . A W . 8 TRP CG 1 1 2 830 1 1 8 TRP CH2 C -5.314 -5.434 -0.618 1.00 . A W . 8 TRP CH2 1 1 2 831 1 1 8 TRP CZ2 C -5.604 -6.249 -1.674 1.00 . A W . 8 TRP CZ2 1 1 2 832 1 1 8 TRP CZ3 C -5.195 -4.050 -0.781 1.00 . A W . 8 TRP CZ3 1 1 2 833 1 1 8 TRP H H -8.776 -2.535 -5.168 1.00 . A W . 8 TRP H 1 1 2 834 1 1 8 TRP HA H -6.674 -1.439 -3.394 1.00 . A W . 8 TRP HA 1 1 2 835 1 1 8 TRP HB2 H -6.255 -2.732 -6.112 1.00 . A W . 8 TRP HB2 1 1 2 836 1 1 8 TRP HB3 H -5.008 -2.197 -4.992 1.00 . A W . 8 TRP HB3 1 1 2 837 1 1 8 TRP HD1 H -6.477 -5.302 -6.085 1.00 . A W . 8 TRP HD1 1 1 2 838 1 1 8 TRP HE1 H -6.256 -7.141 -4.305 1.00 . A W . 8 TRP HE1 1 1 2 839 1 1 8 TRP HE3 H -5.258 -2.375 -2.133 1.00 . A W . 8 TRP HE3 1 1 2 840 1 1 8 TRP HH2 H -5.156 -5.850 0.368 1.00 . A W . 8 TRP HH2 1 1 2 841 1 1 8 TRP HZ2 H -5.695 -7.318 -1.537 1.00 . A W . 8 TRP HZ2 1 1 2 842 1 1 8 TRP HZ3 H -5.034 -3.437 0.111 1.00 . A W . 8 TRP HZ3 1 1 2 843 1 1 8 TRP N N -8.320 -2.278 -4.334 1.00 . A W . 8 TRP N 1 1 2 844 1 1 8 TRP NE1 N -6.121 -6.188 -4.123 1.00 . A W . 8 TRP NE1 1 1 2 845 1 1 8 TRP O O -7.700 -0.345 -6.280 1.00 . A W . 8 TRP O 1 1 2 846 1 1 9 THR C C -4.892 2.262 -5.659 1.00 . A W . 9 THR C 1 1 2 847 1 1 9 THR CA C -6.332 1.891 -5.455 1.00 . A W . 9 THR CA 1 1 2 848 1 1 9 THR CB C -7.090 3.067 -4.777 1.00 . A W . 9 THR CB 1 1 2 849 1 1 9 THR CG2 C -6.867 3.081 -3.274 1.00 . A W . 9 THR CG2 1 1 2 850 1 1 9 THR H H -6.043 0.593 -3.821 1.00 . A W . 9 THR H 1 1 2 851 1 1 9 THR HA H -6.780 1.722 -6.422 1.00 . A W . 9 THR HA 1 1 2 852 1 1 9 THR HB H -8.109 2.918 -4.973 1.00 . A W . 9 THR HB 1 1 2 853 1 1 9 THR HG1 H -7.571 4.885 -5.394 1.00 . A W . 9 THR HG1 1 1 2 854 1 1 9 THR HG21 H -5.804 3.141 -3.069 1.00 . A W . 9 THR HG21 1 1 2 855 1 1 9 THR HG22 H -7.261 2.174 -2.844 1.00 . A W . 9 THR HG22 1 1 2 856 1 1 9 THR HG23 H -7.367 3.934 -2.841 1.00 . A W . 9 THR HG23 1 1 2 857 1 1 9 THR N N -6.441 0.656 -4.715 1.00 . A W . 9 THR N 1 1 2 858 1 1 9 THR O O -3.964 1.578 -5.219 1.00 . A W . 9 THR O 1 1 2 859 1 1 9 THR OG1 O -6.764 4.351 -5.329 1.00 . A W . 9 THR OG1 1 1 2 860 1 1 10 GLU C C -3.226 5.195 -5.871 1.00 . A W . 10 GLU C 1 1 2 861 1 1 10 GLU CA C -3.464 3.925 -6.658 1.00 . A W . 10 GLU CA 1 1 2 862 1 1 10 GLU CB C -3.399 4.266 -8.141 1.00 . A W . 10 GLU CB 1 1 2 863 1 1 10 GLU CD C -3.789 3.583 -10.510 1.00 . A W . 10 GLU CD 1 1 2 864 1 1 10 GLU CG C -3.747 3.124 -9.073 1.00 . A W . 10 GLU CG 1 1 2 865 1 1 10 GLU H H -5.597 3.886 -6.485 1.00 . A W . 10 GLU H 1 1 2 866 1 1 10 GLU HA H -2.698 3.200 -6.416 1.00 . A W . 10 GLU HA 1 1 2 867 1 1 10 GLU HB2 H -4.076 5.080 -8.336 1.00 . A W . 10 GLU HB2 1 1 2 868 1 1 10 GLU HB3 H -2.395 4.590 -8.372 1.00 . A W . 10 GLU HB3 1 1 2 869 1 1 10 GLU HG2 H -3.003 2.350 -8.972 1.00 . A W . 10 GLU HG2 1 1 2 870 1 1 10 GLU HG3 H -4.717 2.734 -8.803 1.00 . A W . 10 GLU HG3 1 1 2 871 1 1 10 GLU N N -4.754 3.372 -6.304 1.00 . A W . 10 GLU N 1 1 2 872 1 1 10 GLU O O -3.977 6.164 -5.999 1.00 . A W . 10 GLU O 1 1 2 873 1 1 10 GLU OE1 O -2.761 4.092 -11.005 1.00 . A W . 10 GLU OE1 1 1 2 874 1 1 10 GLU OE2 O -4.859 3.466 -11.141 1.00 . A W . 10 GLU OE2 1 1 2 875 1 1 11 TYR C C -0.377 6.764 -4.692 1.00 . A W . 11 TYR C 1 1 2 876 1 1 11 TYR CA C -1.808 6.401 -4.359 1.00 . A W . 11 TYR CA 1 1 2 877 1 1 11 TYR CB C -2.007 6.240 -2.849 1.00 . A W . 11 TYR CB 1 1 2 878 1 1 11 TYR CD1 C -4.498 5.986 -2.516 1.00 . A W . 11 TYR CD1 1 1 2 879 1 1 11 TYR CD2 C -3.464 8.009 -1.802 1.00 . A W . 11 TYR CD2 1 1 2 880 1 1 11 TYR CE1 C -5.726 6.464 -2.103 1.00 . A W . 11 TYR CE1 1 1 2 881 1 1 11 TYR CE2 C -4.689 8.493 -1.381 1.00 . A W . 11 TYR CE2 1 1 2 882 1 1 11 TYR CG C -3.348 6.752 -2.374 1.00 . A W . 11 TYR CG 1 1 2 883 1 1 11 TYR CZ C -5.818 7.716 -1.535 1.00 . A W . 11 TYR CZ 1 1 2 884 1 1 11 TYR H H -1.647 4.387 -4.972 1.00 . A W . 11 TYR H 1 1 2 885 1 1 11 TYR HA H -2.452 7.197 -4.710 1.00 . A W . 11 TYR HA 1 1 2 886 1 1 11 TYR HB2 H -1.937 5.191 -2.591 1.00 . A W . 11 TYR HB2 1 1 2 887 1 1 11 TYR HB3 H -1.234 6.787 -2.328 1.00 . A W . 11 TYR HB3 1 1 2 888 1 1 11 TYR HD1 H -4.423 5.002 -2.957 1.00 . A W . 11 TYR HD1 1 1 2 889 1 1 11 TYR HD2 H -2.579 8.617 -1.687 1.00 . A W . 11 TYR HD2 1 1 2 890 1 1 11 TYR HE1 H -6.608 5.853 -2.225 1.00 . A W . 11 TYR HE1 1 1 2 891 1 1 11 TYR HE2 H -4.758 9.474 -0.936 1.00 . A W . 11 TYR HE2 1 1 2 892 1 1 11 TYR HH H -7.185 9.067 -1.525 1.00 . A W . 11 TYR HH 1 1 2 893 1 1 11 TYR N N -2.183 5.205 -5.077 1.00 . A W . 11 TYR N 1 1 2 894 1 1 11 TYR O O 0.570 6.315 -4.053 1.00 . A W . 11 TYR O 1 1 2 895 1 1 11 TYR OH O -7.041 8.198 -1.129 1.00 . A W . 11 TYR OH 1 1 2 896 1 1 12 LYS C C 1.452 9.211 -5.306 1.00 . A W . 12 LYS C 1 1 2 897 1 1 12 LYS CA C 1.062 8.024 -6.170 1.00 . A W . 12 LYS CA 1 1 2 898 1 1 12 LYS CB C 1.023 8.400 -7.657 1.00 . A W . 12 LYS CB 1 1 2 899 1 1 12 LYS CD C 0.549 7.636 -10.024 1.00 . A W . 12 LYS CD 1 1 2 900 1 1 12 LYS CE C -0.047 6.534 -10.897 1.00 . A W . 12 LYS CE 1 1 2 901 1 1 12 LYS CG C 0.478 7.284 -8.544 1.00 . A W . 12 LYS CG 1 1 2 902 1 1 12 LYS H H -1.032 7.808 -6.251 1.00 . A W . 12 LYS H 1 1 2 903 1 1 12 LYS HA H 1.778 7.230 -6.021 1.00 . A W . 12 LYS HA 1 1 2 904 1 1 12 LYS HB2 H 0.394 9.270 -7.782 1.00 . A W . 12 LYS HB2 1 1 2 905 1 1 12 LYS HB3 H 2.022 8.638 -7.988 1.00 . A W . 12 LYS HB3 1 1 2 906 1 1 12 LYS HD2 H -0.006 8.548 -10.191 1.00 . A W . 12 LYS HD2 1 1 2 907 1 1 12 LYS HD3 H 1.582 7.786 -10.301 1.00 . A W . 12 LYS HD3 1 1 2 908 1 1 12 LYS HE2 H 0.227 6.722 -11.925 1.00 . A W . 12 LYS HE2 1 1 2 909 1 1 12 LYS HE3 H 0.360 5.584 -10.586 1.00 . A W . 12 LYS HE3 1 1 2 910 1 1 12 LYS HG2 H 1.058 6.389 -8.369 1.00 . A W . 12 LYS HG2 1 1 2 911 1 1 12 LYS HG3 H -0.551 7.102 -8.276 1.00 . A W . 12 LYS HG3 1 1 2 912 1 1 12 LYS HZ1 H -1.888 5.534 -11.067 1.00 . A W . 12 LYS HZ1 1 1 2 913 1 1 12 LYS HZ2 H -1.956 7.197 -11.425 1.00 . A W . 12 LYS HZ2 1 1 2 914 1 1 12 LYS HZ3 H -1.830 6.684 -9.821 1.00 . A W . 12 LYS HZ3 1 1 2 915 1 1 12 LYS N N -0.235 7.543 -5.747 1.00 . A W . 12 LYS N 1 1 2 916 1 1 12 LYS NZ N -1.531 6.484 -10.794 1.00 . A W . 12 LYS NZ 1 1 2 917 1 1 12 LYS O O 0.873 10.292 -5.425 1.00 . A W . 12 LYS O 1 1 2 918 1 1 13 THR C C 3.544 11.156 -4.043 1.00 . A W . 13 THR C 1 1 2 919 1 1 13 THR CA C 2.748 10.013 -3.427 1.00 . A W . 13 THR CA 1 1 2 920 1 1 13 THR CB C 3.563 9.408 -2.271 1.00 . A W . 13 THR CB 1 1 2 921 1 1 13 THR CG2 C 2.745 8.393 -1.494 1.00 . A W . 13 THR CG2 1 1 2 922 1 1 13 THR H H 2.882 8.142 -4.408 1.00 . A W . 13 THR H 1 1 2 923 1 1 13 THR HA H 1.829 10.405 -3.020 1.00 . A W . 13 THR HA 1 1 2 924 1 1 13 THR HB H 3.845 10.206 -1.598 1.00 . A W . 13 THR HB 1 1 2 925 1 1 13 THR HG1 H 5.472 8.927 -2.139 1.00 . A W . 13 THR HG1 1 1 2 926 1 1 13 THR HG21 H 3.331 8.005 -0.674 1.00 . A W . 13 THR HG21 1 1 2 927 1 1 13 THR HG22 H 2.464 7.579 -2.149 1.00 . A W . 13 THR HG22 1 1 2 928 1 1 13 THR HG23 H 1.855 8.866 -1.107 1.00 . A W . 13 THR HG23 1 1 2 929 1 1 13 THR N N 2.405 9.002 -4.413 1.00 . A W . 13 THR N 1 1 2 930 1 1 13 THR O O 3.941 11.099 -5.212 1.00 . A W . 13 THR O 1 1 2 931 1 1 13 THR OG1 O 4.755 8.789 -2.775 1.00 . A W . 13 THR OG1 1 1 2 932 1 1 14 ALA C C 6.018 12.947 -3.898 1.00 . A W . 14 ALA C 1 1 2 933 1 1 14 ALA CA C 4.563 13.346 -3.688 1.00 . A W . 14 ALA CA 1 1 2 934 1 1 14 ALA CB C 4.460 14.477 -2.677 1.00 . A W . 14 ALA CB 1 1 2 935 1 1 14 ALA H H 3.442 12.179 -2.326 1.00 . A W . 14 ALA H 1 1 2 936 1 1 14 ALA HA H 4.146 13.687 -4.626 1.00 . A W . 14 ALA HA 1 1 2 937 1 1 14 ALA HB1 H 5.034 15.326 -3.023 1.00 . A W . 14 ALA HB1 1 1 2 938 1 1 14 ALA HB2 H 4.848 14.144 -1.726 1.00 . A W . 14 ALA HB2 1 1 2 939 1 1 14 ALA HB3 H 3.425 14.765 -2.563 1.00 . A W . 14 ALA HB3 1 1 2 940 1 1 14 ALA N N 3.789 12.193 -3.243 1.00 . A W . 14 ALA N 1 1 2 941 1 1 14 ALA O O 6.774 13.642 -4.576 1.00 . A W . 14 ALA O 1 1 2 942 1 1 15 ASP C C 7.920 10.727 -4.875 1.00 . A W . 15 ASP C 1 1 2 943 1 1 15 ASP CA C 7.735 11.254 -3.459 1.00 . A W . 15 ASP CA 1 1 2 944 1 1 15 ASP CB C 7.951 10.098 -2.468 1.00 . A W . 15 ASP CB 1 1 2 945 1 1 15 ASP CG C 7.455 10.412 -1.074 1.00 . A W . 15 ASP CG 1 1 2 946 1 1 15 ASP H H 5.746 11.336 -2.742 1.00 . A W . 15 ASP H 1 1 2 947 1 1 15 ASP HA H 8.457 12.034 -3.269 1.00 . A W . 15 ASP HA 1 1 2 948 1 1 15 ASP HB2 H 7.426 9.224 -2.827 1.00 . A W . 15 ASP HB2 1 1 2 949 1 1 15 ASP HB3 H 9.007 9.876 -2.412 1.00 . A W . 15 ASP HB3 1 1 2 950 1 1 15 ASP N N 6.394 11.812 -3.308 1.00 . A W . 15 ASP N 1 1 2 951 1 1 15 ASP O O 9.041 10.610 -5.372 1.00 . A W . 15 ASP O 1 1 2 952 1 1 15 ASP OD1 O 6.230 10.297 -0.843 1.00 . A W . 15 ASP OD1 1 1 2 953 1 1 15 ASP OD2 O 8.277 10.776 -0.210 1.00 . A W . 15 ASP OD2 1 1 2 954 1 1 16 GLY C C 6.811 8.300 -6.742 1.00 . A W . 16 GLY C 1 1 2 955 1 1 16 GLY CA C 6.840 9.811 -6.827 1.00 . A W . 16 GLY CA 1 1 2 956 1 1 16 GLY H H 5.939 10.619 -5.099 1.00 . A W . 16 GLY H 1 1 2 957 1 1 16 GLY HA2 H 5.987 10.150 -7.399 1.00 . A W . 16 GLY HA2 1 1 2 958 1 1 16 GLY HA3 H 7.746 10.114 -7.333 1.00 . A W . 16 GLY HA3 1 1 2 959 1 1 16 GLY N N 6.802 10.419 -5.519 1.00 . A W . 16 GLY N 1 1 2 960 1 1 16 GLY O O 7.355 7.616 -7.605 1.00 . A W . 16 GLY O 1 1 2 961 1 1 17 LYS C C 4.756 5.789 -5.781 1.00 . A W . 17 LYS C 1 1 2 962 1 1 17 LYS CA C 6.141 6.350 -5.461 1.00 . A W . 17 LYS CA 1 1 2 963 1 1 17 LYS CB C 6.493 6.060 -3.997 1.00 . A W . 17 LYS CB 1 1 2 964 1 1 17 LYS CD C 8.476 4.559 -4.332 1.00 . A W . 17 LYS CD 1 1 2 965 1 1 17 LYS CE C 9.129 3.229 -3.987 1.00 . A W . 17 LYS CE 1 1 2 966 1 1 17 LYS CG C 7.073 4.672 -3.757 1.00 . A W . 17 LYS CG 1 1 2 967 1 1 17 LYS H H 5.691 8.381 -5.093 1.00 . A W . 17 LYS H 1 1 2 968 1 1 17 LYS HA H 6.871 5.885 -6.104 1.00 . A W . 17 LYS HA 1 1 2 969 1 1 17 LYS HB2 H 7.217 6.786 -3.665 1.00 . A W . 17 LYS HB2 1 1 2 970 1 1 17 LYS HB3 H 5.599 6.159 -3.402 1.00 . A W . 17 LYS HB3 1 1 2 971 1 1 17 LYS HD2 H 8.420 4.653 -5.404 1.00 . A W . 17 LYS HD2 1 1 2 972 1 1 17 LYS HD3 H 9.081 5.359 -3.930 1.00 . A W . 17 LYS HD3 1 1 2 973 1 1 17 LYS HE2 H 9.110 3.094 -2.913 1.00 . A W . 17 LYS HE2 1 1 2 974 1 1 17 LYS HE3 H 8.565 2.436 -4.457 1.00 . A W . 17 LYS HE3 1 1 2 975 1 1 17 LYS HG2 H 7.110 4.487 -2.693 1.00 . A W . 17 LYS HG2 1 1 2 976 1 1 17 LYS HG3 H 6.439 3.938 -4.231 1.00 . A W . 17 LYS HG3 1 1 2 977 1 1 17 LYS HZ1 H 10.581 3.281 -5.494 1.00 . A W . 17 LYS HZ1 1 1 2 978 1 1 17 LYS HZ2 H 10.963 2.244 -4.206 1.00 . A W . 17 LYS HZ2 1 1 2 979 1 1 17 LYS HZ3 H 11.103 3.928 -4.026 1.00 . A W . 17 LYS HZ3 1 1 2 980 1 1 17 LYS N N 6.170 7.784 -5.703 1.00 . A W . 17 LYS N 1 1 2 981 1 1 17 LYS NZ N 10.541 3.166 -4.461 1.00 . A W . 17 LYS NZ 1 1 2 982 1 1 17 LYS O O 3.743 6.355 -5.363 1.00 . A W . 17 LYS O 1 1 2 983 1 1 18 THR C C 3.166 2.990 -5.710 1.00 . A W . 18 THR C 1 1 2 984 1 1 18 THR CA C 3.454 4.007 -6.804 1.00 . A W . 18 THR CA 1 1 2 985 1 1 18 THR CB C 3.492 3.283 -8.168 1.00 . A W . 18 THR CB 1 1 2 986 1 1 18 THR CG2 C 2.201 2.507 -8.428 1.00 . A W . 18 THR CG2 1 1 2 987 1 1 18 THR H H 5.537 4.355 -6.935 1.00 . A W . 18 THR H 1 1 2 988 1 1 18 THR HA H 2.662 4.737 -6.826 1.00 . A W . 18 THR HA 1 1 2 989 1 1 18 THR HB H 4.315 2.584 -8.156 1.00 . A W . 18 THR HB 1 1 2 990 1 1 18 THR HG1 H 4.596 4.591 -9.145 1.00 . A W . 18 THR HG1 1 1 2 991 1 1 18 THR HG21 H 2.242 2.075 -9.415 1.00 . A W . 18 THR HG21 1 1 2 992 1 1 18 THR HG22 H 1.357 3.177 -8.364 1.00 . A W . 18 THR HG22 1 1 2 993 1 1 18 THR HG23 H 2.097 1.718 -7.694 1.00 . A W . 18 THR HG23 1 1 2 994 1 1 18 THR N N 4.709 4.699 -6.536 1.00 . A W . 18 THR N 1 1 2 995 1 1 18 THR O O 3.713 1.888 -5.717 1.00 . A W . 18 THR O 1 1 2 996 1 1 18 THR OG1 O 3.707 4.236 -9.219 1.00 . A W . 18 THR OG1 1 1 2 997 1 1 19 TYR C C 0.417 2.253 -3.740 1.00 . A W . 19 TYR C 1 1 2 998 1 1 19 TYR CA C 1.932 2.473 -3.691 1.00 . A W . 19 TYR CA 1 1 2 999 1 1 19 TYR CB C 2.414 3.013 -2.336 1.00 . A W . 19 TYR CB 1 1 2 1000 1 1 19 TYR CD1 C 0.530 2.987 -0.658 1.00 . A W . 19 TYR CD1 1 1 2 1001 1 1 19 TYR CD2 C 1.336 5.096 -1.401 1.00 . A W . 19 TYR CD2 1 1 2 1002 1 1 19 TYR CE1 C -0.358 3.608 0.187 1.00 . A W . 19 TYR CE1 1 1 2 1003 1 1 19 TYR CE2 C 0.443 5.730 -0.562 1.00 . A W . 19 TYR CE2 1 1 2 1004 1 1 19 TYR CG C 1.389 3.713 -1.470 1.00 . A W . 19 TYR CG 1 1 2 1005 1 1 19 TYR CZ C -0.397 4.981 0.238 1.00 . A W . 19 TYR CZ 1 1 2 1006 1 1 19 TYR H H 1.973 4.288 -4.764 1.00 . A W . 19 TYR H 1 1 2 1007 1 1 19 TYR HA H 2.421 1.521 -3.866 1.00 . A W . 19 TYR HA 1 1 2 1008 1 1 19 TYR HB2 H 2.804 2.191 -1.759 1.00 . A W . 19 TYR HB2 1 1 2 1009 1 1 19 TYR HB3 H 3.217 3.714 -2.519 1.00 . A W . 19 TYR HB3 1 1 2 1010 1 1 19 TYR HD1 H 0.554 1.909 -0.704 1.00 . A W . 19 TYR HD1 1 1 2 1011 1 1 19 TYR HD2 H 1.990 5.678 -2.036 1.00 . A W . 19 TYR HD2 1 1 2 1012 1 1 19 TYR HE1 H -1.016 3.008 0.813 1.00 . A W . 19 TYR HE1 1 1 2 1013 1 1 19 TYR HE2 H 0.423 6.806 -0.515 1.00 . A W . 19 TYR HE2 1 1 2 1014 1 1 19 TYR HH H -1.182 5.235 1.973 1.00 . A W . 19 TYR HH 1 1 2 1015 1 1 19 TYR N N 2.332 3.376 -4.754 1.00 . A W . 19 TYR N 1 1 2 1016 1 1 19 TYR O O -0.317 3.035 -4.354 1.00 . A W . 19 TYR O 1 1 2 1017 1 1 19 TYR OH O -1.277 5.609 1.089 1.00 . A W . 19 TYR OH 1 1 2 1018 1 1 20 TYR C C -2.082 1.118 -1.779 1.00 . A W . 20 TYR C 1 1 2 1019 1 1 20 TYR CA C -1.446 0.824 -3.119 1.00 . A W . 20 TYR CA 1 1 2 1020 1 1 20 TYR CB C -1.616 -0.671 -3.404 1.00 . A W . 20 TYR CB 1 1 2 1021 1 1 20 TYR CD1 C 0.326 -1.316 -4.887 1.00 . A W . 20 TYR CD1 1 1 2 1022 1 1 20 TYR CD2 C -1.879 -1.351 -5.792 1.00 . A W . 20 TYR CD2 1 1 2 1023 1 1 20 TYR CE1 C 0.837 -1.722 -6.095 1.00 . A W . 20 TYR CE1 1 1 2 1024 1 1 20 TYR CE2 C -1.378 -1.761 -7.010 1.00 . A W . 20 TYR CE2 1 1 2 1025 1 1 20 TYR CG C -1.040 -1.121 -4.718 1.00 . A W . 20 TYR CG 1 1 2 1026 1 1 20 TYR CZ C -0.014 -1.944 -7.160 1.00 . A W . 20 TYR CZ 1 1 2 1027 1 1 20 TYR H H 0.582 0.651 -2.565 1.00 . A W . 20 TYR H 1 1 2 1028 1 1 20 TYR HA H -1.945 1.389 -3.888 1.00 . A W . 20 TYR HA 1 1 2 1029 1 1 20 TYR HB2 H -1.135 -1.239 -2.622 1.00 . A W . 20 TYR HB2 1 1 2 1030 1 1 20 TYR HB3 H -2.673 -0.903 -3.411 1.00 . A W . 20 TYR HB3 1 1 2 1031 1 1 20 TYR HD1 H 1.002 -1.145 -4.059 1.00 . A W . 20 TYR HD1 1 1 2 1032 1 1 20 TYR HD2 H -2.946 -1.207 -5.660 1.00 . A W . 20 TYR HD2 1 1 2 1033 1 1 20 TYR HE1 H 1.902 -1.875 -6.194 1.00 . A W . 20 TYR HE1 1 1 2 1034 1 1 20 TYR HE2 H -2.049 -1.933 -7.836 1.00 . A W . 20 TYR HE2 1 1 2 1035 1 1 20 TYR HH H 1.200 -2.991 -8.221 1.00 . A W . 20 TYR HH 1 1 2 1036 1 1 20 TYR N N -0.042 1.194 -3.094 1.00 . A W . 20 TYR N 1 1 2 1037 1 1 20 TYR O O -1.470 0.916 -0.729 1.00 . A W . 20 TYR O 1 1 2 1038 1 1 20 TYR OH O 0.494 -2.352 -8.372 1.00 . A W . 20 TYR OH 1 1 2 1039 1 1 21 TYR C C -5.187 0.832 -0.495 1.00 . A W . 21 TYR C 1 1 2 1040 1 1 21 TYR CA C -4.030 1.784 -0.571 1.00 . A W . 21 TYR CA 1 1 2 1041 1 1 21 TYR CB C -4.528 3.225 -0.465 1.00 . A W . 21 TYR CB 1 1 2 1042 1 1 21 TYR CD1 C -6.366 3.391 1.295 1.00 . A W . 21 TYR CD1 1 1 2 1043 1 1 21 TYR CD2 C -4.170 4.146 1.856 1.00 . A W . 21 TYR CD2 1 1 2 1044 1 1 21 TYR CE1 C -6.809 3.736 2.559 1.00 . A W . 21 TYR CE1 1 1 2 1045 1 1 21 TYR CE2 C -4.610 4.489 3.123 1.00 . A W . 21 TYR CE2 1 1 2 1046 1 1 21 TYR CG C -5.034 3.589 0.921 1.00 . A W . 21 TYR CG 1 1 2 1047 1 1 21 TYR CZ C -5.928 4.286 3.467 1.00 . A W . 21 TYR CZ 1 1 2 1048 1 1 21 TYR H H -3.777 1.672 -2.660 1.00 . A W . 21 TYR H 1 1 2 1049 1 1 21 TYR HA H -3.352 1.576 0.245 1.00 . A W . 21 TYR HA 1 1 2 1050 1 1 21 TYR HB2 H -3.719 3.897 -0.711 1.00 . A W . 21 TYR HB2 1 1 2 1051 1 1 21 TYR HB3 H -5.336 3.369 -1.166 1.00 . A W . 21 TYR HB3 1 1 2 1052 1 1 21 TYR HD1 H -7.058 2.953 0.588 1.00 . A W . 21 TYR HD1 1 1 2 1053 1 1 21 TYR HD2 H -3.133 4.301 1.588 1.00 . A W . 21 TYR HD2 1 1 2 1054 1 1 21 TYR HE1 H -7.845 3.574 2.832 1.00 . A W . 21 TYR HE1 1 1 2 1055 1 1 21 TYR HE2 H -3.919 4.920 3.834 1.00 . A W . 21 TYR HE2 1 1 2 1056 1 1 21 TYR HH H -6.001 5.485 4.968 1.00 . A W . 21 TYR HH 1 1 2 1057 1 1 21 TYR N N -3.327 1.532 -1.801 1.00 . A W . 21 TYR N 1 1 2 1058 1 1 21 TYR O O -5.991 0.713 -1.420 1.00 . A W . 21 TYR O 1 1 2 1059 1 1 21 TYR OH O -6.368 4.632 4.725 1.00 . A W . 21 TYR OH 1 1 2 1060 1 1 22 ASN C C -7.426 -0.501 1.411 1.00 . A W . 22 ASN C 1 1 2 1061 1 1 22 ASN CA C -6.131 -0.960 0.780 1.00 . A W . 22 ASN CA 1 1 2 1062 1 1 22 ASN CB C -5.485 -2.005 1.671 1.00 . A W . 22 ASN CB 1 1 2 1063 1 1 22 ASN CG C -6.412 -3.150 1.921 1.00 . A W . 22 ASN CG 1 1 2 1064 1 1 22 ASN H H -4.621 0.368 1.341 1.00 . A W . 22 ASN H 1 1 2 1065 1 1 22 ASN HA H -6.337 -1.398 -0.190 1.00 . A W . 22 ASN HA 1 1 2 1066 1 1 22 ASN HB2 H -4.595 -2.381 1.192 1.00 . A W . 22 ASN HB2 1 1 2 1067 1 1 22 ASN HB3 H -5.224 -1.558 2.619 1.00 . A W . 22 ASN HB3 1 1 2 1068 1 1 22 ASN HD21 H -7.117 -2.965 0.071 1.00 . A W . 22 ASN HD21 1 1 2 1069 1 1 22 ASN HD22 H -7.790 -4.250 1.008 1.00 . A W . 22 ASN HD22 1 1 2 1070 1 1 22 ASN N N -5.224 0.130 0.599 1.00 . A W . 22 ASN N 1 1 2 1071 1 1 22 ASN ND2 N -7.191 -3.481 0.903 1.00 . A W . 22 ASN ND2 1 1 2 1072 1 1 22 ASN O O -7.433 0.022 2.527 1.00 . A W . 22 ASN O 1 1 2 1073 1 1 22 ASN OD1 O -6.442 -3.723 3.007 1.00 . A W . 22 ASN OD1 1 1 2 1074 1 1 23 ASN C C -10.349 -1.756 1.948 1.00 . A W . 23 ASN C 1 1 2 1075 1 1 23 ASN CA C -9.825 -0.476 1.292 1.00 . A W . 23 ASN CA 1 1 2 1076 1 1 23 ASN CB C -10.819 0.013 0.233 1.00 . A W . 23 ASN CB 1 1 2 1077 1 1 23 ASN CG C -10.462 1.374 -0.338 1.00 . A W . 23 ASN CG 1 1 2 1078 1 1 23 ASN H H -8.454 -1.030 -0.217 1.00 . A W . 23 ASN H 1 1 2 1079 1 1 23 ASN HA H -9.702 0.288 2.050 1.00 . A W . 23 ASN HA 1 1 2 1080 1 1 23 ASN HB2 H -10.843 -0.698 -0.579 1.00 . A W . 23 ASN HB2 1 1 2 1081 1 1 23 ASN HB3 H -11.802 0.077 0.675 1.00 . A W . 23 ASN HB3 1 1 2 1082 1 1 23 ASN HD21 H -11.534 2.280 1.063 1.00 . A W . 23 ASN HD21 1 1 2 1083 1 1 23 ASN HD22 H -10.753 3.322 -0.070 1.00 . A W . 23 ASN HD22 1 1 2 1084 1 1 23 ASN N N -8.522 -0.718 0.714 1.00 . A W . 23 ASN N 1 1 2 1085 1 1 23 ASN ND2 N -10.966 2.430 0.281 1.00 . A W . 23 ASN ND2 1 1 2 1086 1 1 23 ASN O O -11.465 -1.777 2.468 1.00 . A W . 23 ASN O 1 1 2 1087 1 1 23 ASN OD1 O -9.753 1.474 -1.339 1.00 . A W . 23 ASN OD1 1 1 2 1088 1 1 24 ARG C C -10.232 -3.991 3.962 1.00 . A W . 24 ARG C 1 1 2 1089 1 1 24 ARG CA C -9.915 -4.116 2.475 1.00 . A W . 24 ARG CA 1 1 2 1090 1 1 24 ARG CB C -8.854 -5.204 2.277 1.00 . A W . 24 ARG CB 1 1 2 1091 1 1 24 ARG CD C -8.024 -7.510 2.790 1.00 . A W . 24 ARG CD 1 1 2 1092 1 1 24 ARG CG C -9.124 -6.491 3.033 1.00 . A W . 24 ARG CG 1 1 2 1093 1 1 24 ARG CZ C -7.316 -9.700 3.680 1.00 . A W . 24 ARG CZ 1 1 2 1094 1 1 24 ARG H H -8.643 -2.724 1.512 1.00 . A W . 24 ARG H 1 1 2 1095 1 1 24 ARG HA H -10.767 -4.410 1.935 1.00 . A W . 24 ARG HA 1 1 2 1096 1 1 24 ARG HB2 H -8.798 -5.439 1.225 1.00 . A W . 24 ARG HB2 1 1 2 1097 1 1 24 ARG HB3 H -7.899 -4.814 2.598 1.00 . A W . 24 ARG HB3 1 1 2 1098 1 1 24 ARG HD2 H -8.143 -7.920 1.800 1.00 . A W . 24 ARG HD2 1 1 2 1099 1 1 24 ARG HD3 H -7.069 -7.010 2.861 1.00 . A W . 24 ARG HD3 1 1 2 1100 1 1 24 ARG HE H -8.654 -8.483 4.536 1.00 . A W . 24 ARG HE 1 1 2 1101 1 1 24 ARG HG2 H -9.176 -6.273 4.090 1.00 . A W . 24 ARG HG2 1 1 2 1102 1 1 24 ARG HG3 H -10.065 -6.902 2.701 1.00 . A W . 24 ARG HG3 1 1 2 1103 1 1 24 ARG HH11 H -6.533 -9.276 1.845 1.00 . A W . 24 ARG HH11 1 1 2 1104 1 1 24 ARG HH12 H -6.010 -10.765 2.565 1.00 . A W . 24 ARG HH12 1 1 2 1105 1 1 24 ARG HH21 H -7.929 -10.428 5.469 1.00 . A W . 24 ARG HH21 1 1 2 1106 1 1 24 ARG HH22 H -6.782 -11.419 4.609 1.00 . A W . 24 ARG HH22 1 1 2 1107 1 1 24 ARG N N -9.526 -2.820 1.922 1.00 . A W . 24 ARG N 1 1 2 1108 1 1 24 ARG NE N -8.062 -8.599 3.760 1.00 . A W . 24 ARG NE 1 1 2 1109 1 1 24 ARG NH1 N -6.558 -9.931 2.614 1.00 . A W . 24 ARG NH1 1 1 2 1110 1 1 24 ARG NH2 N -7.346 -10.586 4.663 1.00 . A W . 24 ARG NH2 1 1 2 1111 1 1 24 ARG O O -11.375 -4.136 4.393 1.00 . A W . 24 ARG O 1 1 2 1112 1 1 25 THR C C -8.668 -2.192 6.551 1.00 . A W . 25 THR C 1 1 2 1113 1 1 25 THR CA C -9.311 -3.520 6.169 1.00 . A W . 25 THR CA 1 1 2 1114 1 1 25 THR CB C -8.622 -4.668 6.934 1.00 . A W . 25 THR CB 1 1 2 1115 1 1 25 THR CG2 C -9.417 -5.962 6.831 1.00 . A W . 25 THR CG2 1 1 2 1116 1 1 25 THR H H -8.292 -3.691 4.334 1.00 . A W . 25 THR H 1 1 2 1117 1 1 25 THR HA H -10.362 -3.503 6.429 1.00 . A W . 25 THR HA 1 1 2 1118 1 1 25 THR HB H -8.544 -4.390 7.975 1.00 . A W . 25 THR HB 1 1 2 1119 1 1 25 THR HG1 H -6.654 -4.592 7.052 1.00 . A W . 25 THR HG1 1 1 2 1120 1 1 25 THR HG21 H -8.888 -6.752 7.348 1.00 . A W . 25 THR HG21 1 1 2 1121 1 1 25 THR HG22 H -9.534 -6.229 5.791 1.00 . A W . 25 THR HG22 1 1 2 1122 1 1 25 THR HG23 H -10.389 -5.828 7.281 1.00 . A W . 25 THR HG23 1 1 2 1123 1 1 25 THR N N -9.188 -3.726 4.737 1.00 . A W . 25 THR N 1 1 2 1124 1 1 25 THR O O -8.310 -1.964 7.712 1.00 . A W . 25 THR O 1 1 2 1125 1 1 25 THR OG1 O -7.307 -4.879 6.405 1.00 . A W . 25 THR OG1 1 1 2 1126 1 1 26 LEU C C -6.369 -0.295 5.955 1.00 . A W . 26 LEU C 1 1 2 1127 1 1 26 LEU CA C -7.847 -0.047 5.679 1.00 . A W . 26 LEU CA 1 1 2 1128 1 1 26 LEU CB C -8.476 0.855 6.751 1.00 . A W . 26 LEU CB 1 1 2 1129 1 1 26 LEU CD1 C -9.255 2.696 5.229 1.00 . A W . 26 LEU CD1 1 1 2 1130 1 1 26 LEU CD2 C -10.786 0.792 5.746 1.00 . A W . 26 LEU CD2 1 1 2 1131 1 1 26 LEU CG C -9.679 1.686 6.287 1.00 . A W . 26 LEU CG 1 1 2 1132 1 1 26 LEU H H -8.960 -1.538 4.687 1.00 . A W . 26 LEU H 1 1 2 1133 1 1 26 LEU HA H -7.928 0.452 4.720 1.00 . A W . 26 LEU HA 1 1 2 1134 1 1 26 LEU HB2 H -8.792 0.233 7.576 1.00 . A W . 26 LEU HB2 1 1 2 1135 1 1 26 LEU HB3 H -7.717 1.535 7.106 1.00 . A W . 26 LEU HB3 1 1 2 1136 1 1 26 LEU HD11 H -8.473 3.328 5.631 1.00 . A W . 26 LEU HD11 1 1 2 1137 1 1 26 LEU HD12 H -10.101 3.305 4.953 1.00 . A W . 26 LEU HD12 1 1 2 1138 1 1 26 LEU HD13 H -8.886 2.174 4.357 1.00 . A W . 26 LEU HD13 1 1 2 1139 1 1 26 LEU HD21 H -10.405 0.203 4.923 1.00 . A W . 26 LEU HD21 1 1 2 1140 1 1 26 LEU HD22 H -11.607 1.404 5.403 1.00 . A W . 26 LEU HD22 1 1 2 1141 1 1 26 LEU HD23 H -11.131 0.132 6.529 1.00 . A W . 26 LEU HD23 1 1 2 1142 1 1 26 LEU HG H -10.074 2.234 7.126 1.00 . A W . 26 LEU HG 1 1 2 1143 1 1 26 LEU N N -8.553 -1.317 5.548 1.00 . A W . 26 LEU N 1 1 2 1144 1 1 26 LEU O O -5.886 -0.180 7.085 1.00 . A W . 26 LEU O 1 1 2 1145 1 1 27 GLU C C -3.512 -0.186 3.897 1.00 . A W . 27 GLU C 1 1 2 1146 1 1 27 GLU CA C -4.254 -0.986 4.959 1.00 . A W . 27 GLU CA 1 1 2 1147 1 1 27 GLU CB C -4.033 -2.492 4.734 1.00 . A W . 27 GLU CB 1 1 2 1148 1 1 27 GLU CD C -1.694 -2.799 5.687 1.00 . A W . 27 GLU CD 1 1 2 1149 1 1 27 GLU CG C -2.582 -2.878 4.458 1.00 . A W . 27 GLU CG 1 1 2 1150 1 1 27 GLU H H -6.136 -0.721 4.036 1.00 . A W . 27 GLU H 1 1 2 1151 1 1 27 GLU HA H -3.885 -0.710 5.934 1.00 . A W . 27 GLU HA 1 1 2 1152 1 1 27 GLU HB2 H -4.365 -3.030 5.610 1.00 . A W . 27 GLU HB2 1 1 2 1153 1 1 27 GLU HB3 H -4.627 -2.805 3.886 1.00 . A W . 27 GLU HB3 1 1 2 1154 1 1 27 GLU HG2 H -2.558 -3.888 4.082 1.00 . A W . 27 GLU HG2 1 1 2 1155 1 1 27 GLU HG3 H -2.185 -2.197 3.702 1.00 . A W . 27 GLU HG3 1 1 2 1156 1 1 27 GLU N N -5.675 -0.670 4.900 1.00 . A W . 27 GLU N 1 1 2 1157 1 1 27 GLU O O -4.120 0.327 2.961 1.00 . A W . 27 GLU O 1 1 2 1158 1 1 27 GLU OE1 O -1.261 -1.684 6.044 1.00 . A W . 27 GLU OE1 1 1 2 1159 1 1 27 GLU OE2 O -1.413 -3.860 6.287 1.00 . A W . 27 GLU OE2 1 1 2 1160 1 1 28 SER C C -0.403 -0.476 2.525 1.00 . A W . 28 SER C 1 1 2 1161 1 1 28 SER CA C -1.408 0.565 3.038 1.00 . A W . 28 SER CA 1 1 2 1162 1 1 28 SER CB C -0.706 1.774 3.636 1.00 . A W . 28 SER CB 1 1 2 1163 1 1 28 SER H H -1.801 -0.297 4.914 1.00 . A W . 28 SER H 1 1 2 1164 1 1 28 SER HA H -2.058 0.867 2.218 1.00 . A W . 28 SER HA 1 1 2 1165 1 1 28 SER HB2 H -1.078 1.928 4.641 1.00 . A W . 28 SER HB2 1 1 2 1166 1 1 28 SER HB3 H 0.353 1.587 3.682 1.00 . A W . 28 SER HB3 1 1 2 1167 1 1 28 SER HG H -1.893 3.005 2.697 1.00 . A W . 28 SER HG 1 1 2 1168 1 1 28 SER N N -2.226 -0.014 4.068 1.00 . A W . 28 SER N 1 1 2 1169 1 1 28 SER O O 0.011 -1.354 3.274 1.00 . A W . 28 SER O 1 1 2 1170 1 1 28 SER OG O -0.952 2.946 2.888 1.00 . A W . 28 SER OG 1 1 2 1171 1 1 29 THR C C 1.936 -0.546 -0.218 1.00 . A W . 29 THR C 1 1 2 1172 1 1 29 THR CA C 1.016 -1.297 0.736 1.00 . A W . 29 THR CA 1 1 2 1173 1 1 29 THR CB C 0.390 -2.495 -0.048 1.00 . A W . 29 THR CB 1 1 2 1174 1 1 29 THR CG2 C -0.804 -3.103 0.668 1.00 . A W . 29 THR CG2 1 1 2 1175 1 1 29 THR H H -0.359 0.322 0.684 1.00 . A W . 29 THR H 1 1 2 1176 1 1 29 THR HA H 1.592 -1.685 1.561 1.00 . A W . 29 THR HA 1 1 2 1177 1 1 29 THR HB H 1.147 -3.259 -0.154 1.00 . A W . 29 THR HB 1 1 2 1178 1 1 29 THR HG1 H 0.628 -2.346 -2.001 1.00 . A W . 29 THR HG1 1 1 2 1179 1 1 29 THR HG21 H -1.240 -3.873 0.044 1.00 . A W . 29 THR HG21 1 1 2 1180 1 1 29 THR HG22 H -1.541 -2.338 0.857 1.00 . A W . 29 THR HG22 1 1 2 1181 1 1 29 THR HG23 H -0.482 -3.535 1.601 1.00 . A W . 29 THR HG23 1 1 2 1182 1 1 29 THR N N 0.017 -0.374 1.270 1.00 . A W . 29 THR N 1 1 2 1183 1 1 29 THR O O 1.470 0.186 -1.076 1.00 . A W . 29 THR O 1 1 2 1184 1 1 29 THR OG1 O -0.034 -2.080 -1.346 1.00 . A W . 29 THR OG1 1 1 2 1185 1 1 30 TRP C C 4.126 -0.679 -2.340 1.00 . A W . 30 TRP C 1 1 2 1186 1 1 30 TRP CA C 4.188 -0.046 -0.957 1.00 . A W . 30 TRP CA 1 1 2 1187 1 1 30 TRP CB C 5.623 -0.135 -0.412 1.00 . A W . 30 TRP CB 1 1 2 1188 1 1 30 TRP CD1 C 5.812 0.332 2.112 1.00 . A W . 30 TRP CD1 1 1 2 1189 1 1 30 TRP CD2 C 6.287 2.085 0.811 1.00 . A W . 30 TRP CD2 1 1 2 1190 1 1 30 TRP CE2 C 6.435 2.462 2.160 1.00 . A W . 30 TRP CE2 1 1 2 1191 1 1 30 TRP CE3 C 6.533 3.033 -0.183 1.00 . A W . 30 TRP CE3 1 1 2 1192 1 1 30 TRP CG C 5.889 0.711 0.800 1.00 . A W . 30 TRP CG 1 1 2 1193 1 1 30 TRP CH2 C 7.041 4.645 1.552 1.00 . A W . 30 TRP CH2 1 1 2 1194 1 1 30 TRP CZ2 C 6.809 3.739 2.538 1.00 . A W . 30 TRP CZ2 1 1 2 1195 1 1 30 TRP CZ3 C 6.905 4.308 0.197 1.00 . A W . 30 TRP CZ3 1 1 2 1196 1 1 30 TRP H H 3.575 -1.267 0.669 1.00 . A W . 30 TRP H 1 1 2 1197 1 1 30 TRP HA H 3.899 0.997 -1.049 1.00 . A W . 30 TRP HA 1 1 2 1198 1 1 30 TRP HB2 H 5.829 -1.160 -0.140 1.00 . A W . 30 TRP HB2 1 1 2 1199 1 1 30 TRP HB3 H 6.311 0.168 -1.185 1.00 . A W . 30 TRP HB3 1 1 2 1200 1 1 30 TRP HD1 H 5.527 -0.638 2.449 1.00 . A W . 30 TRP HD1 1 1 2 1201 1 1 30 TRP HE1 H 6.162 1.350 3.906 1.00 . A W . 30 TRP HE1 1 1 2 1202 1 1 30 TRP HE3 H 6.430 2.785 -1.229 1.00 . A W . 30 TRP HE3 1 1 2 1203 1 1 30 TRP HH2 H 7.317 5.645 1.811 1.00 . A W . 30 TRP HH2 1 1 2 1204 1 1 30 TRP HZ2 H 6.919 4.020 3.573 1.00 . A W . 30 TRP HZ2 1 1 2 1205 1 1 30 TRP HZ3 H 7.098 5.058 -0.557 1.00 . A W . 30 TRP HZ3 1 1 2 1206 1 1 30 TRP N N 3.242 -0.703 -0.058 1.00 . A W . 30 TRP N 1 1 2 1207 1 1 30 TRP NE1 N 6.144 1.377 2.927 1.00 . A W . 30 TRP NE1 1 1 2 1208 1 1 30 TRP O O 3.992 0.010 -3.344 1.00 . A W . 30 TRP O 1 1 2 1209 1 1 31 GLU C C 2.803 -3.404 -3.829 1.00 . A W . 31 GLU C 1 1 2 1210 1 1 31 GLU CA C 4.156 -2.706 -3.655 1.00 . A W . 31 GLU CA 1 1 2 1211 1 1 31 GLU CB C 5.277 -3.725 -3.746 1.00 . A W . 31 GLU CB 1 1 2 1212 1 1 31 GLU CD C 6.222 -5.898 -2.897 1.00 . A W . 31 GLU CD 1 1 2 1213 1 1 31 GLU CG C 5.128 -4.862 -2.759 1.00 . A W . 31 GLU CG 1 1 2 1214 1 1 31 GLU H H 4.336 -2.501 -1.559 1.00 . A W . 31 GLU H 1 1 2 1215 1 1 31 GLU HA H 4.276 -1.982 -4.445 1.00 . A W . 31 GLU HA 1 1 2 1216 1 1 31 GLU HB2 H 5.283 -4.133 -4.741 1.00 . A W . 31 GLU HB2 1 1 2 1217 1 1 31 GLU HB3 H 6.220 -3.229 -3.561 1.00 . A W . 31 GLU HB3 1 1 2 1218 1 1 31 GLU HG2 H 5.153 -4.457 -1.759 1.00 . A W . 31 GLU HG2 1 1 2 1219 1 1 31 GLU HG3 H 4.170 -5.336 -2.935 1.00 . A W . 31 GLU HG3 1 1 2 1220 1 1 31 GLU N N 4.218 -1.999 -2.387 1.00 . A W . 31 GLU N 1 1 2 1221 1 1 31 GLU O O 1.865 -3.163 -3.063 1.00 . A W . 31 GLU O 1 1 2 1222 1 1 31 GLU OE1 O 7.341 -5.654 -2.402 1.00 . A W . 31 GLU OE1 1 1 2 1223 1 1 31 GLU OE2 O 5.969 -6.957 -3.506 1.00 . A W . 31 GLU OE2 1 1 2 1224 1 1 32 LYS C C 1.126 -6.060 -4.220 1.00 . A W . 32 LYS C 1 1 2 1225 1 1 32 LYS CA C 1.466 -4.927 -5.186 1.00 . A W . 32 LYS CA 1 1 2 1226 1 1 32 LYS CB C 1.545 -5.482 -6.614 1.00 . A W . 32 LYS CB 1 1 2 1227 1 1 32 LYS CD C 0.340 -6.682 -8.483 1.00 . A W . 32 LYS CD 1 1 2 1228 1 1 32 LYS CE C 1.024 -8.026 -8.289 1.00 . A W . 32 LYS CE 1 1 2 1229 1 1 32 LYS CG C 0.201 -5.931 -7.168 1.00 . A W . 32 LYS CG 1 1 2 1230 1 1 32 LYS H H 3.528 -4.524 -5.323 1.00 . A W . 32 LYS H 1 1 2 1231 1 1 32 LYS HA H 0.685 -4.185 -5.143 1.00 . A W . 32 LYS HA 1 1 2 1232 1 1 32 LYS HB2 H 1.939 -4.717 -7.263 1.00 . A W . 32 LYS HB2 1 1 2 1233 1 1 32 LYS HB3 H 2.215 -6.329 -6.620 1.00 . A W . 32 LYS HB3 1 1 2 1234 1 1 32 LYS HD2 H -0.641 -6.845 -8.901 1.00 . A W . 32 LYS HD2 1 1 2 1235 1 1 32 LYS HD3 H 0.930 -6.085 -9.163 1.00 . A W . 32 LYS HD3 1 1 2 1236 1 1 32 LYS HE2 H 2.051 -7.852 -7.997 1.00 . A W . 32 LYS HE2 1 1 2 1237 1 1 32 LYS HE3 H 0.512 -8.563 -7.506 1.00 . A W . 32 LYS HE3 1 1 2 1238 1 1 32 LYS HG2 H -0.272 -6.584 -6.449 1.00 . A W . 32 LYS HG2 1 1 2 1239 1 1 32 LYS HG3 H -0.418 -5.061 -7.326 1.00 . A W . 32 LYS HG3 1 1 2 1240 1 1 32 LYS HZ1 H 1.507 -9.744 -9.367 1.00 . A W . 32 LYS HZ1 1 1 2 1241 1 1 32 LYS HZ2 H 1.482 -8.335 -10.304 1.00 . A W . 32 LYS HZ2 1 1 2 1242 1 1 32 LYS HZ3 H 0.024 -9.057 -9.816 1.00 . A W . 32 LYS HZ3 1 1 2 1243 1 1 32 LYS N N 2.718 -4.281 -4.828 1.00 . A W . 32 LYS N 1 1 2 1244 1 1 32 LYS NZ N 1.011 -8.847 -9.530 1.00 . A W . 32 LYS NZ 1 1 2 1245 1 1 32 LYS O O 2.007 -6.800 -3.781 1.00 . A W . 32 LYS O 1 1 2 1246 1 1 33 PRO C C -0.567 -8.644 -3.890 1.00 . A W . 33 PRO C 1 1 2 1247 1 1 33 PRO CA C -0.684 -7.332 -3.112 1.00 . A W . 33 PRO CA 1 1 2 1248 1 1 33 PRO CB C -2.168 -6.975 -2.958 1.00 . A W . 33 PRO CB 1 1 2 1249 1 1 33 PRO CD C -1.191 -5.162 -4.100 1.00 . A W . 33 PRO CD 1 1 2 1250 1 1 33 PRO CG C -2.199 -5.496 -3.050 1.00 . A W . 33 PRO CG 1 1 2 1251 1 1 33 PRO HA H -0.221 -7.428 -2.143 1.00 . A W . 33 PRO HA 1 1 2 1252 1 1 33 PRO HB2 H -2.734 -7.428 -3.766 1.00 . A W . 33 PRO HB2 1 1 2 1253 1 1 33 PRO HB3 H -2.541 -7.321 -2.010 1.00 . A W . 33 PRO HB3 1 1 2 1254 1 1 33 PRO HD2 H -1.621 -5.252 -5.088 1.00 . A W . 33 PRO HD2 1 1 2 1255 1 1 33 PRO HD3 H -0.794 -4.170 -3.945 1.00 . A W . 33 PRO HD3 1 1 2 1256 1 1 33 PRO HG2 H -3.185 -5.161 -3.342 1.00 . A W . 33 PRO HG2 1 1 2 1257 1 1 33 PRO HG3 H -1.915 -5.064 -2.105 1.00 . A W . 33 PRO HG3 1 1 2 1258 1 1 33 PRO N N -0.157 -6.184 -3.872 1.00 . A W . 33 PRO N 1 1 2 1259 1 1 33 PRO O O -0.411 -8.635 -5.108 1.00 . A W . 33 PRO O 1 1 2 1260 1 1 34 GLN C C -1.982 -11.621 -4.088 1.00 . A W . 34 GLN C 1 1 2 1261 1 1 34 GLN CA C -0.582 -11.081 -3.824 1.00 . A W . 34 GLN CA 1 1 2 1262 1 1 34 GLN CB C 0.228 -12.057 -2.972 1.00 . A W . 34 GLN CB 1 1 2 1263 1 1 34 GLN CD C 2.508 -12.740 -2.132 1.00 . A W . 34 GLN CD 1 1 2 1264 1 1 34 GLN CG C 1.730 -11.849 -3.080 1.00 . A W . 34 GLN CG 1 1 2 1265 1 1 34 GLN H H -0.762 -9.716 -2.208 1.00 . A W . 34 GLN H 1 1 2 1266 1 1 34 GLN HA H -0.081 -10.954 -4.776 1.00 . A W . 34 GLN HA 1 1 2 1267 1 1 34 GLN HB2 H -0.056 -11.936 -1.938 1.00 . A W . 34 GLN HB2 1 1 2 1268 1 1 34 GLN HB3 H 0.001 -13.067 -3.284 1.00 . A W . 34 GLN HB3 1 1 2 1269 1 1 34 GLN HE21 H 2.531 -11.301 -0.768 1.00 . A W . 34 GLN HE21 1 1 2 1270 1 1 34 GLN HE22 H 3.331 -12.769 -0.322 1.00 . A W . 34 GLN HE22 1 1 2 1271 1 1 34 GLN HG2 H 2.040 -12.065 -4.090 1.00 . A W . 34 GLN HG2 1 1 2 1272 1 1 34 GLN HG3 H 1.954 -10.819 -2.847 1.00 . A W . 34 GLN HG3 1 1 2 1273 1 1 34 GLN N N -0.650 -9.769 -3.185 1.00 . A W . 34 GLN N 1 1 2 1274 1 1 34 GLN NE2 N 2.817 -12.218 -0.956 1.00 . A W . 34 GLN NE2 1 1 2 1275 1 1 34 GLN O O -2.169 -12.539 -4.893 1.00 . A W . 34 GLN O 1 1 2 1276 1 1 34 GLN OE1 O 2.844 -13.878 -2.462 1.00 . A W . 34 GLN OE1 1 1 2 1277 1 1 35 GLU C C -4.783 -10.449 -4.892 1.00 . A W . 35 GLU C 1 1 2 1278 1 1 35 GLU CA C -4.362 -11.307 -3.704 1.00 . A W . 35 GLU CA 1 1 2 1279 1 1 35 GLU CB C -5.221 -11.013 -2.473 1.00 . A W . 35 GLU CB 1 1 2 1280 1 1 35 GLU CD C -5.231 -9.577 -0.395 1.00 . A W . 35 GLU CD 1 1 2 1281 1 1 35 GLU CG C -4.991 -9.626 -1.889 1.00 . A W . 35 GLU CG 1 1 2 1282 1 1 35 GLU H H -2.737 -10.443 -2.663 1.00 . A W . 35 GLU H 1 1 2 1283 1 1 35 GLU HA H -4.459 -12.349 -3.971 1.00 . A W . 35 GLU HA 1 1 2 1284 1 1 35 GLU HB2 H -6.261 -11.102 -2.746 1.00 . A W . 35 GLU HB2 1 1 2 1285 1 1 35 GLU HB3 H -4.995 -11.743 -1.711 1.00 . A W . 35 GLU HB3 1 1 2 1286 1 1 35 GLU HG2 H -3.971 -9.333 -2.083 1.00 . A W . 35 GLU HG2 1 1 2 1287 1 1 35 GLU HG3 H -5.660 -8.931 -2.369 1.00 . A W . 35 GLU HG3 1 1 2 1288 1 1 35 GLU N N -2.961 -11.047 -3.403 1.00 . A W . 35 GLU N 1 1 2 1289 1 1 35 GLU O O -5.865 -10.611 -5.456 1.00 . A W . 35 GLU O 1 1 2 1290 1 1 35 GLU OE1 O -4.357 -10.064 0.352 1.00 . A W . 35 GLU OE1 1 1 2 1291 1 1 35 GLU OE2 O -6.280 -9.056 0.040 1.00 . A W . 35 GLU OE2 1 1 2 1292 1 1 36 LEU C C -3.197 -9.235 -7.555 1.00 . A W . 36 LEU C 1 1 2 1293 1 1 36 LEU CA C -4.066 -8.694 -6.426 1.00 . A W . 36 LEU CA 1 1 2 1294 1 1 36 LEU CB C -3.692 -7.250 -6.078 1.00 . A W . 36 LEU CB 1 1 2 1295 1 1 36 LEU CD1 C -4.883 -6.271 -8.074 1.00 . A W . 36 LEU CD1 1 1 2 1296 1 1 36 LEU CD2 C -3.308 -4.866 -6.740 1.00 . A W . 36 LEU CD2 1 1 2 1297 1 1 36 LEU CG C -3.603 -6.269 -7.249 1.00 . A W . 36 LEU CG 1 1 2 1298 1 1 36 LEU H H -3.082 -9.434 -4.726 1.00 . A W . 36 LEU H 1 1 2 1299 1 1 36 LEU HA H -5.105 -8.737 -6.720 1.00 . A W . 36 LEU HA 1 1 2 1300 1 1 36 LEU HB2 H -4.429 -6.874 -5.386 1.00 . A W . 36 LEU HB2 1 1 2 1301 1 1 36 LEU HB3 H -2.735 -7.263 -5.578 1.00 . A W . 36 LEU HB3 1 1 2 1302 1 1 36 LEU HD11 H -5.715 -5.981 -7.449 1.00 . A W . 36 LEU HD11 1 1 2 1303 1 1 36 LEU HD12 H -5.056 -7.260 -8.466 1.00 . A W . 36 LEU HD12 1 1 2 1304 1 1 36 LEU HD13 H -4.787 -5.571 -8.892 1.00 . A W . 36 LEU HD13 1 1 2 1305 1 1 36 LEU HD21 H -4.058 -4.576 -6.009 1.00 . A W . 36 LEU HD21 1 1 2 1306 1 1 36 LEU HD22 H -3.322 -4.173 -7.565 1.00 . A W . 36 LEU HD22 1 1 2 1307 1 1 36 LEU HD23 H -2.335 -4.856 -6.275 1.00 . A W . 36 LEU HD23 1 1 2 1308 1 1 36 LEU HG H -2.787 -6.569 -7.888 1.00 . A W . 36 LEU HG 1 1 2 1309 1 1 36 LEU N N -3.896 -9.534 -5.256 1.00 . A W . 36 LEU N 1 1 2 1310 1 1 36 LEU O O -1.968 -9.224 -7.467 1.00 . A W . 36 LEU O 1 1 2 1311 1 1 37 LYS C C -2.597 -9.379 -10.676 1.00 . A W . 37 LYS C 1 1 2 1312 1 1 37 LYS CA C -3.136 -10.398 -9.683 1.00 . A W . 37 LYS CA 1 1 2 1313 1 1 37 LYS CB C -4.073 -11.379 -10.391 1.00 . A W . 37 LYS CB 1 1 2 1314 1 1 37 LYS CD C -3.906 -13.117 -8.578 1.00 . A W . 37 LYS CD 1 1 2 1315 1 1 37 LYS CE C -4.619 -13.694 -7.364 1.00 . A W . 37 LYS CE 1 1 2 1316 1 1 37 LYS CG C -4.839 -12.269 -9.426 1.00 . A W . 37 LYS CG 1 1 2 1317 1 1 37 LYS H H -4.813 -9.630 -8.649 1.00 . A W . 37 LYS H 1 1 2 1318 1 1 37 LYS HA H -2.308 -10.945 -9.255 1.00 . A W . 37 LYS HA 1 1 2 1319 1 1 37 LYS HB2 H -4.786 -10.816 -10.977 1.00 . A W . 37 LYS HB2 1 1 2 1320 1 1 37 LYS HB3 H -3.491 -12.008 -11.049 1.00 . A W . 37 LYS HB3 1 1 2 1321 1 1 37 LYS HD2 H -3.527 -13.930 -9.179 1.00 . A W . 37 LYS HD2 1 1 2 1322 1 1 37 LYS HD3 H -3.083 -12.503 -8.241 1.00 . A W . 37 LYS HD3 1 1 2 1323 1 1 37 LYS HE2 H -3.933 -14.335 -6.830 1.00 . A W . 37 LYS HE2 1 1 2 1324 1 1 37 LYS HE3 H -4.920 -12.880 -6.720 1.00 . A W . 37 LYS HE3 1 1 2 1325 1 1 37 LYS HG2 H -5.436 -11.647 -8.776 1.00 . A W . 37 LYS HG2 1 1 2 1326 1 1 37 LYS HG3 H -5.487 -12.921 -9.994 1.00 . A W . 37 LYS HG3 1 1 2 1327 1 1 37 LYS HZ1 H -6.509 -13.886 -8.239 1.00 . A W . 37 LYS HZ1 1 1 2 1328 1 1 37 LYS HZ2 H -6.281 -14.864 -6.871 1.00 . A W . 37 LYS HZ2 1 1 2 1329 1 1 37 LYS HZ3 H -5.557 -15.281 -8.346 1.00 . A W . 37 LYS HZ3 1 1 2 1330 1 1 37 LYS N N -3.839 -9.728 -8.599 1.00 . A W . 37 LYS N 1 1 2 1331 1 1 37 LYS NZ N -5.822 -14.486 -7.733 1.00 . A W . 37 LYS NZ 1 1 2 1332 1 1 37 LYS O O -1.366 -9.165 -10.700 1.00 . A W . 37 LYS O 1 1 2 1333 1 1 37 LYS OXT O -3.408 -8.797 -11.424 1.00 . A W . 37 LYS OXT 1 1 2 1334 2 2 1 PRO C C -1.770 14.015 0.711 1.00 . B P . 101 PRO C 1 1 2 1335 2 2 1 PRO CA C -1.551 15.519 0.645 1.00 . B P . 101 PRO CA 1 1 2 1336 2 2 1 PRO CB C -0.823 16.005 1.889 1.00 . B P . 101 PRO CB 1 1 2 1337 2 2 1 PRO CD C -2.790 17.325 1.508 1.00 . B P . 101 PRO CD 1 1 2 1338 2 2 1 PRO CG C -1.831 16.857 2.577 1.00 . B P . 101 PRO CG 1 1 2 1339 2 2 1 PRO H2 H -3.563 15.473 0.731 1.00 . B P . 101 PRO H2 1 1 2 1340 2 2 1 PRO H3 H -2.975 16.412 -0.470 1.00 . B P . 101 PRO H3 1 1 2 1341 2 2 1 PRO HA H -0.969 15.756 -0.232 1.00 . B P . 101 PRO HA 1 1 2 1342 2 2 1 PRO HB2 H -0.530 15.161 2.496 1.00 . B P . 101 PRO HB2 1 1 2 1343 2 2 1 PRO HB3 H 0.047 16.577 1.607 1.00 . B P . 101 PRO HB3 1 1 2 1344 2 2 1 PRO HD2 H -3.764 17.515 1.936 1.00 . B P . 101 PRO HD2 1 1 2 1345 2 2 1 PRO HD3 H -2.411 18.216 1.026 1.00 . B P . 101 PRO HD3 1 1 2 1346 2 2 1 PRO HG2 H -2.355 16.275 3.319 1.00 . B P . 101 PRO HG2 1 1 2 1347 2 2 1 PRO HG3 H -1.343 17.702 3.039 1.00 . B P . 101 PRO HG3 1 1 2 1348 2 2 1 PRO N N -2.855 16.206 0.554 1.00 . B P . 101 PRO N 1 1 2 1349 2 2 1 PRO O O -2.791 13.566 1.233 1.00 . B P . 101 PRO O 1 1 2 1350 2 2 2 PRO C C -0.498 11.207 1.567 1.00 . B P . 102 PRO C 1 1 2 1351 2 2 2 PRO CA C -0.930 11.756 0.207 1.00 . B P . 102 PRO CA 1 1 2 1352 2 2 2 PRO CB C 0.047 11.317 -0.883 1.00 . B P . 102 PRO CB 1 1 2 1353 2 2 2 PRO CD C 0.354 13.678 -0.577 1.00 . B P . 102 PRO CD 1 1 2 1354 2 2 2 PRO CG C 1.071 12.399 -0.922 1.00 . B P . 102 PRO CG 1 1 2 1355 2 2 2 PRO HA H -1.923 11.404 -0.026 1.00 . B P . 102 PRO HA 1 1 2 1356 2 2 2 PRO HB2 H 0.483 10.365 -0.614 1.00 . B P . 102 PRO HB2 1 1 2 1357 2 2 2 PRO HB3 H -0.473 11.228 -1.825 1.00 . B P . 102 PRO HB3 1 1 2 1358 2 2 2 PRO HD2 H 0.973 14.296 0.055 1.00 . B P . 102 PRO HD2 1 1 2 1359 2 2 2 PRO HD3 H 0.079 14.212 -1.476 1.00 . B P . 102 PRO HD3 1 1 2 1360 2 2 2 PRO HG2 H 1.840 12.197 -0.191 1.00 . B P . 102 PRO HG2 1 1 2 1361 2 2 2 PRO HG3 H 1.500 12.466 -1.910 1.00 . B P . 102 PRO HG3 1 1 2 1362 2 2 2 PRO N N -0.844 13.219 0.153 1.00 . B P . 102 PRO N 1 1 2 1363 2 2 2 PRO O O 0.344 11.798 2.244 1.00 . B P . 102 PRO O 1 1 2 1364 2 2 3 PRO C C 0.591 8.636 3.114 1.00 . B P . 103 PRO C 1 1 2 1365 2 2 3 PRO CA C -0.705 9.429 3.247 1.00 . B P . 103 PRO CA 1 1 2 1366 2 2 3 PRO CB C -1.879 8.473 3.527 1.00 . B P . 103 PRO CB 1 1 2 1367 2 2 3 PRO CD C -2.150 9.355 1.315 1.00 . B P . 103 PRO CD 1 1 2 1368 2 2 3 PRO CG C -2.896 8.747 2.464 1.00 . B P . 103 PRO CG 1 1 2 1369 2 2 3 PRO HA H -0.615 10.140 4.053 1.00 . B P . 103 PRO HA 1 1 2 1370 2 2 3 PRO HB2 H -1.531 7.452 3.475 1.00 . B P . 103 PRO HB2 1 1 2 1371 2 2 3 PRO HB3 H -2.275 8.671 4.512 1.00 . B P . 103 PRO HB3 1 1 2 1372 2 2 3 PRO HD2 H -1.749 8.588 0.669 1.00 . B P . 103 PRO HD2 1 1 2 1373 2 2 3 PRO HD3 H -2.786 10.030 0.762 1.00 . B P . 103 PRO HD3 1 1 2 1374 2 2 3 PRO HG2 H -3.367 7.824 2.161 1.00 . B P . 103 PRO HG2 1 1 2 1375 2 2 3 PRO HG3 H -3.636 9.439 2.837 1.00 . B P . 103 PRO HG3 1 1 2 1376 2 2 3 PRO N N -1.079 10.080 1.995 1.00 . B P . 103 PRO N 1 1 2 1377 2 2 3 PRO O O 0.907 8.120 2.040 1.00 . B P . 103 PRO O 1 1 2 1378 2 2 4 LEU C C 2.116 6.251 4.416 1.00 . B P . 104 LEU C 1 1 2 1379 2 2 4 LEU CA C 2.528 7.704 4.223 1.00 . B P . 104 LEU CA 1 1 2 1380 2 2 4 LEU CB C 3.509 8.128 5.329 1.00 . B P . 104 LEU CB 1 1 2 1381 2 2 4 LEU CD1 C 4.230 7.918 7.718 1.00 . B P . 104 LEU CD1 1 1 2 1382 2 2 4 LEU CD2 C 2.026 8.958 7.192 1.00 . B P . 104 LEU CD2 1 1 2 1383 2 2 4 LEU CG C 3.040 7.903 6.773 1.00 . B P . 104 LEU CG 1 1 2 1384 2 2 4 LEU H H 1.106 9.061 4.998 1.00 . B P . 104 LEU H 1 1 2 1385 2 2 4 LEU HA H 3.019 7.796 3.264 1.00 . B P . 104 LEU HA 1 1 2 1386 2 2 4 LEU HB2 H 4.429 7.578 5.188 1.00 . B P . 104 LEU HB2 1 1 2 1387 2 2 4 LEU HB3 H 3.719 9.179 5.203 1.00 . B P . 104 LEU HB3 1 1 2 1388 2 2 4 LEU HD11 H 3.890 7.756 8.728 1.00 . B P . 104 LEU HD11 1 1 2 1389 2 2 4 LEU HD12 H 4.728 8.875 7.654 1.00 . B P . 104 LEU HD12 1 1 2 1390 2 2 4 LEU HD13 H 4.918 7.135 7.441 1.00 . B P . 104 LEU HD13 1 1 2 1391 2 2 4 LEU HD21 H 1.687 8.753 8.198 1.00 . B P . 104 LEU HD21 1 1 2 1392 2 2 4 LEU HD22 H 1.183 8.935 6.517 1.00 . B P . 104 LEU HD22 1 1 2 1393 2 2 4 LEU HD23 H 2.485 9.934 7.160 1.00 . B P . 104 LEU HD23 1 1 2 1394 2 2 4 LEU HG H 2.568 6.934 6.845 1.00 . B P . 104 LEU HG 1 1 2 1395 2 2 4 LEU N N 1.351 8.554 4.197 1.00 . B P . 104 LEU N 1 1 2 1396 2 2 4 LEU O O 1.104 5.969 5.063 1.00 . B P . 104 LEU O 1 1 2 1397 2 2 5 ILE C C 3.328 3.624 5.514 1.00 . B P . 105 ILE C 1 1 2 1398 2 2 5 ILE CA C 2.700 3.922 4.154 1.00 . B P . 105 ILE CA 1 1 2 1399 2 2 5 ILE CB C 3.382 2.998 3.105 1.00 . B P . 105 ILE CB 1 1 2 1400 2 2 5 ILE CD1 C 3.421 4.588 1.101 1.00 . B P . 105 ILE CD1 1 1 2 1401 2 2 5 ILE CG1 C 2.946 3.266 1.672 1.00 . B P . 105 ILE CG1 1 1 2 1402 2 2 5 ILE CG2 C 3.081 1.538 3.409 1.00 . B P . 105 ILE CG2 1 1 2 1403 2 2 5 ILE H H 3.594 5.610 3.247 1.00 . B P . 105 ILE H 1 1 2 1404 2 2 5 ILE HA H 1.641 3.705 4.184 1.00 . B P . 105 ILE HA 1 1 2 1405 2 2 5 ILE HB H 4.458 3.153 3.175 1.00 . B P . 105 ILE HB 1 1 2 1406 2 2 5 ILE HD11 H 4.066 5.076 1.813 1.00 . B P . 105 ILE HD11 1 1 2 1407 2 2 5 ILE HD12 H 2.562 5.221 0.902 1.00 . B P . 105 ILE HD12 1 1 2 1408 2 2 5 ILE HD13 H 3.962 4.413 0.184 1.00 . B P . 105 ILE HD13 1 1 2 1409 2 2 5 ILE HG12 H 3.353 2.469 1.050 1.00 . B P . 105 ILE HG12 1 1 2 1410 2 2 5 ILE HG13 H 1.868 3.242 1.617 1.00 . B P . 105 ILE HG13 1 1 2 1411 2 2 5 ILE HG21 H 2.013 1.378 3.385 1.00 . B P . 105 ILE HG21 1 1 2 1412 2 2 5 ILE HG22 H 3.459 1.293 4.389 1.00 . B P . 105 ILE HG22 1 1 2 1413 2 2 5 ILE HG23 H 3.557 0.908 2.672 1.00 . B P . 105 ILE HG23 1 1 2 1414 2 2 5 ILE N N 2.884 5.334 3.860 1.00 . B P . 105 ILE N 1 1 2 1415 2 2 5 ILE O O 4.311 4.264 5.882 1.00 . B P . 105 ILE O 1 1 2 1416 2 2 6 PRO C C 4.575 1.090 6.904 1.00 . B P . 106 PRO C 1 1 2 1417 2 2 6 PRO CA C 3.537 2.097 7.402 1.00 . B P . 106 PRO CA 1 1 2 1418 2 2 6 PRO CB C 2.448 1.388 8.210 1.00 . B P . 106 PRO CB 1 1 2 1419 2 2 6 PRO CD C 1.445 2.096 6.163 1.00 . B P . 106 PRO CD 1 1 2 1420 2 2 6 PRO CG C 1.434 0.997 7.189 1.00 . B P . 106 PRO CG 1 1 2 1421 2 2 6 PRO HA H 4.012 2.859 8.002 1.00 . B P . 106 PRO HA 1 1 2 1422 2 2 6 PRO HB2 H 2.866 0.525 8.709 1.00 . B P . 106 PRO HB2 1 1 2 1423 2 2 6 PRO HB3 H 2.036 2.070 8.939 1.00 . B P . 106 PRO HB3 1 1 2 1424 2 2 6 PRO HD2 H 1.283 1.688 5.176 1.00 . B P . 106 PRO HD2 1 1 2 1425 2 2 6 PRO HD3 H 0.694 2.833 6.395 1.00 . B P . 106 PRO HD3 1 1 2 1426 2 2 6 PRO HG2 H 1.714 0.056 6.736 1.00 . B P . 106 PRO HG2 1 1 2 1427 2 2 6 PRO HG3 H 0.459 0.920 7.639 1.00 . B P . 106 PRO HG3 1 1 2 1428 2 2 6 PRO N N 2.797 2.662 6.282 1.00 . B P . 106 PRO N 1 1 2 1429 2 2 6 PRO O O 4.371 0.426 5.889 1.00 . B P . 106 PRO O 1 1 2 1430 2 2 7 PRO C C 6.246 -1.436 7.849 1.00 . B P . 107 PRO C 1 1 2 1431 2 2 7 PRO CA C 6.679 -0.077 7.305 1.00 . B P . 107 PRO CA 1 1 2 1432 2 2 7 PRO CB C 7.938 0.422 8.011 1.00 . B P . 107 PRO CB 1 1 2 1433 2 2 7 PRO CD C 6.111 1.807 8.733 1.00 . B P . 107 PRO CD 1 1 2 1434 2 2 7 PRO CG C 7.430 1.220 9.166 1.00 . B P . 107 PRO CG 1 1 2 1435 2 2 7 PRO HA H 6.851 -0.158 6.228 1.00 . B P . 107 PRO HA 1 1 2 1436 2 2 7 PRO HB2 H 8.529 -0.421 8.343 1.00 . B P . 107 PRO HB2 1 1 2 1437 2 2 7 PRO HB3 H 8.518 1.032 7.335 1.00 . B P . 107 PRO HB3 1 1 2 1438 2 2 7 PRO HD2 H 5.392 1.749 9.536 1.00 . B P . 107 PRO HD2 1 1 2 1439 2 2 7 PRO HD3 H 6.240 2.831 8.416 1.00 . B P . 107 PRO HD3 1 1 2 1440 2 2 7 PRO HG2 H 7.288 0.576 10.023 1.00 . B P . 107 PRO HG2 1 1 2 1441 2 2 7 PRO HG3 H 8.128 2.009 9.402 1.00 . B P . 107 PRO HG3 1 1 2 1442 2 2 7 PRO N N 5.697 0.955 7.602 1.00 . B P . 107 PRO N 1 1 2 1443 2 2 7 PRO O O 5.566 -1.509 8.874 1.00 . B P . 107 PRO O 1 1 2 1444 2 2 8 PRO C C 7.237 -4.286 8.812 1.00 . B P . 108 PRO C 1 1 2 1445 2 2 8 PRO CA C 6.315 -3.873 7.661 1.00 . B P . 108 PRO CA 1 1 2 1446 2 2 8 PRO CB C 6.556 -4.743 6.425 1.00 . B P . 108 PRO CB 1 1 2 1447 2 2 8 PRO CD C 7.399 -2.547 5.922 1.00 . B P . 108 PRO CD 1 1 2 1448 2 2 8 PRO CG C 7.607 -4.018 5.651 1.00 . B P . 108 PRO CG 1 1 2 1449 2 2 8 PRO HA H 5.283 -3.953 7.975 1.00 . B P . 108 PRO HA 1 1 2 1450 2 2 8 PRO HB2 H 6.890 -5.722 6.729 1.00 . B P . 108 PRO HB2 1 1 2 1451 2 2 8 PRO HB3 H 5.640 -4.828 5.859 1.00 . B P . 108 PRO HB3 1 1 2 1452 2 2 8 PRO HD2 H 8.349 -2.049 6.043 1.00 . B P . 108 PRO HD2 1 1 2 1453 2 2 8 PRO HD3 H 6.835 -2.093 5.121 1.00 . B P . 108 PRO HD3 1 1 2 1454 2 2 8 PRO HG2 H 8.583 -4.325 5.992 1.00 . B P . 108 PRO HG2 1 1 2 1455 2 2 8 PRO HG3 H 7.495 -4.224 4.596 1.00 . B P . 108 PRO HG3 1 1 2 1456 2 2 8 PRO N N 6.634 -2.530 7.186 1.00 . B P . 108 PRO N 1 1 2 1457 2 2 8 PRO O O 8.395 -3.860 8.878 1.00 . B P . 108 PRO O 1 1 2 1458 2 2 9 PRO C C 8.529 -6.536 10.674 1.00 . B P . 109 PRO C 1 1 2 1459 2 2 9 PRO CA C 7.466 -5.485 10.949 1.00 . B P . 109 PRO CA 1 1 2 1460 2 2 9 PRO CB C 6.379 -6.056 11.879 1.00 . B P . 109 PRO CB 1 1 2 1461 2 2 9 PRO CD C 5.417 -5.750 9.695 1.00 . B P . 109 PRO CD 1 1 2 1462 2 2 9 PRO CG C 5.080 -5.905 11.152 1.00 . B P . 109 PRO CG 1 1 2 1463 2 2 9 PRO HA H 7.923 -4.622 11.411 1.00 . B P . 109 PRO HA 1 1 2 1464 2 2 9 PRO HB2 H 6.593 -7.095 12.082 1.00 . B P . 109 PRO HB2 1 1 2 1465 2 2 9 PRO HB3 H 6.374 -5.500 12.805 1.00 . B P . 109 PRO HB3 1 1 2 1466 2 2 9 PRO HD2 H 5.469 -6.714 9.211 1.00 . B P . 109 PRO HD2 1 1 2 1467 2 2 9 PRO HD3 H 4.696 -5.114 9.201 1.00 . B P . 109 PRO HD3 1 1 2 1468 2 2 9 PRO HG2 H 4.476 -6.788 11.302 1.00 . B P . 109 PRO HG2 1 1 2 1469 2 2 9 PRO HG3 H 4.557 -5.030 11.510 1.00 . B P . 109 PRO HG3 1 1 2 1470 2 2 9 PRO N N 6.735 -5.115 9.739 1.00 . B P . 109 PRO N 1 1 2 1471 2 2 9 PRO O O 8.170 -7.701 10.417 1.00 . B P . 109 PRO O 1 1 2 1472 2 2 9 PRO OXT O 9.731 -6.179 10.700 1.00 . B P . 109 PRO OXT 1 1 3 1473 1 1 1 GLY C C -13.356 -13.289 6.484 1.00 . A W . 1 GLY C 1 1 3 1474 1 1 1 GLY CA C -13.783 -14.227 7.592 1.00 . A W . 1 GLY CA 1 1 3 1475 1 1 1 GLY H1 H -15.497 -13.218 8.220 1.00 . A W . 1 GLY H1 1 1 3 1476 1 1 1 GLY H2 H -14.083 -12.724 9.009 1.00 . A W . 1 GLY H2 1 1 3 1477 1 1 1 GLY H3 H -14.805 -14.204 9.406 1.00 . A W . 1 GLY H3 1 1 3 1478 1 1 1 GLY HA2 H -12.901 -14.640 8.058 1.00 . A W . 1 GLY HA2 1 1 3 1479 1 1 1 GLY HA3 H -14.362 -15.033 7.165 1.00 . A W . 1 GLY HA3 1 1 3 1480 1 1 1 GLY N N -14.598 -13.547 8.627 1.00 . A W . 1 GLY N 1 1 3 1481 1 1 1 GLY O O -12.176 -12.944 6.385 1.00 . A W . 1 GLY O 1 1 3 1482 1 1 2 ALA C C -13.335 -12.764 3.408 1.00 . A W . 2 ALA C 1 1 3 1483 1 1 2 ALA CA C -14.079 -12.003 4.506 1.00 . A W . 2 ALA CA 1 1 3 1484 1 1 2 ALA CB C -13.333 -10.728 4.898 1.00 . A W . 2 ALA CB 1 1 3 1485 1 1 2 ALA H H -15.245 -13.174 5.836 1.00 . A W . 2 ALA H 1 1 3 1486 1 1 2 ALA HA H -15.044 -11.712 4.116 1.00 . A W . 2 ALA HA 1 1 3 1487 1 1 2 ALA HB1 H -13.207 -10.102 4.027 1.00 . A W . 2 ALA HB1 1 1 3 1488 1 1 2 ALA HB2 H -12.362 -10.987 5.298 1.00 . A W . 2 ALA HB2 1 1 3 1489 1 1 2 ALA HB3 H -13.899 -10.196 5.646 1.00 . A W . 2 ALA HB3 1 1 3 1490 1 1 2 ALA N N -14.324 -12.871 5.665 1.00 . A W . 2 ALA N 1 1 3 1491 1 1 2 ALA O O -12.104 -12.839 3.397 1.00 . A W . 2 ALA O 1 1 3 1492 1 1 3 THR C C -13.093 -13.369 0.219 1.00 . A W . 3 THR C 1 1 3 1493 1 1 3 THR CA C -13.559 -14.174 1.429 1.00 . A W . 3 THR CA 1 1 3 1494 1 1 3 THR CB C -14.610 -15.202 0.973 1.00 . A W . 3 THR CB 1 1 3 1495 1 1 3 THR CG2 C -14.858 -16.241 2.052 1.00 . A W . 3 THR CG2 1 1 3 1496 1 1 3 THR H H -15.075 -13.169 2.513 1.00 . A W . 3 THR H 1 1 3 1497 1 1 3 THR HA H -12.715 -14.708 1.835 1.00 . A W . 3 THR HA 1 1 3 1498 1 1 3 THR HB H -14.243 -15.701 0.089 1.00 . A W . 3 THR HB 1 1 3 1499 1 1 3 THR HG1 H -15.959 -14.524 -0.299 1.00 . A W . 3 THR HG1 1 1 3 1500 1 1 3 THR HG21 H -13.939 -16.763 2.268 1.00 . A W . 3 THR HG21 1 1 3 1501 1 1 3 THR HG22 H -15.600 -16.943 1.708 1.00 . A W . 3 THR HG22 1 1 3 1502 1 1 3 THR HG23 H -15.213 -15.753 2.947 1.00 . A W . 3 THR HG23 1 1 3 1503 1 1 3 THR N N -14.101 -13.325 2.483 1.00 . A W . 3 THR N 1 1 3 1504 1 1 3 THR O O -12.980 -13.901 -0.885 1.00 . A W . 3 THR O 1 1 3 1505 1 1 3 THR OG1 O -15.840 -14.535 0.657 1.00 . A W . 3 THR OG1 1 1 3 1506 1 1 4 ALA C C -11.157 -10.409 -0.284 1.00 . A W . 4 ALA C 1 1 3 1507 1 1 4 ALA CA C -12.388 -11.222 -0.656 1.00 . A W . 4 ALA CA 1 1 3 1508 1 1 4 ALA CB C -13.524 -10.293 -1.056 1.00 . A W . 4 ALA CB 1 1 3 1509 1 1 4 ALA H H -12.846 -11.746 1.343 1.00 . A W . 4 ALA H 1 1 3 1510 1 1 4 ALA HA H -12.150 -11.843 -1.508 1.00 . A W . 4 ALA HA 1 1 3 1511 1 1 4 ALA HB1 H -13.221 -9.702 -1.906 1.00 . A W . 4 ALA HB1 1 1 3 1512 1 1 4 ALA HB2 H -13.759 -9.639 -0.229 1.00 . A W . 4 ALA HB2 1 1 3 1513 1 1 4 ALA HB3 H -14.395 -10.876 -1.313 1.00 . A W . 4 ALA HB3 1 1 3 1514 1 1 4 ALA N N -12.798 -12.098 0.431 1.00 . A W . 4 ALA N 1 1 3 1515 1 1 4 ALA O O -11.240 -9.446 0.479 1.00 . A W . 4 ALA O 1 1 3 1516 1 1 5 VAL C C -8.547 -9.210 -1.908 1.00 . A W . 5 VAL C 1 1 3 1517 1 1 5 VAL CA C -8.786 -10.040 -0.655 1.00 . A W . 5 VAL CA 1 1 3 1518 1 1 5 VAL CB C -7.564 -10.951 -0.396 1.00 . A W . 5 VAL CB 1 1 3 1519 1 1 5 VAL CG1 C -6.294 -10.126 -0.206 1.00 . A W . 5 VAL CG1 1 1 3 1520 1 1 5 VAL CG2 C -7.812 -11.841 0.810 1.00 . A W . 5 VAL CG2 1 1 3 1521 1 1 5 VAL H H -9.992 -11.630 -1.350 1.00 . A W . 5 VAL H 1 1 3 1522 1 1 5 VAL HA H -8.910 -9.379 0.191 1.00 . A W . 5 VAL HA 1 1 3 1523 1 1 5 VAL HB H -7.428 -11.588 -1.258 1.00 . A W . 5 VAL HB 1 1 3 1524 1 1 5 VAL HG11 H -6.093 -9.556 -1.105 1.00 . A W . 5 VAL HG11 1 1 3 1525 1 1 5 VAL HG12 H -5.465 -10.785 -0.006 1.00 . A W . 5 VAL HG12 1 1 3 1526 1 1 5 VAL HG13 H -6.423 -9.449 0.628 1.00 . A W . 5 VAL HG13 1 1 3 1527 1 1 5 VAL HG21 H -6.941 -12.452 0.996 1.00 . A W . 5 VAL HG21 1 1 3 1528 1 1 5 VAL HG22 H -8.665 -12.475 0.619 1.00 . A W . 5 VAL HG22 1 1 3 1529 1 1 5 VAL HG23 H -8.009 -11.225 1.673 1.00 . A W . 5 VAL HG23 1 1 3 1530 1 1 5 VAL N N -10.013 -10.806 -0.818 1.00 . A W . 5 VAL N 1 1 3 1531 1 1 5 VAL O O -7.948 -9.687 -2.869 1.00 . A W . 5 VAL O 1 1 3 1532 1 1 6 SER C C -9.465 -5.719 -2.643 1.00 . A W . 6 SER C 1 1 3 1533 1 1 6 SER CA C -9.016 -7.123 -3.048 1.00 . A W . 6 SER CA 1 1 3 1534 1 1 6 SER CB C -9.903 -7.727 -4.137 1.00 . A W . 6 SER CB 1 1 3 1535 1 1 6 SER H H -9.535 -7.674 -1.123 1.00 . A W . 6 SER H 1 1 3 1536 1 1 6 SER HA H -7.999 -7.067 -3.395 1.00 . A W . 6 SER HA 1 1 3 1537 1 1 6 SER HB2 H -9.812 -7.164 -5.023 1.00 . A W . 6 SER HB2 1 1 3 1538 1 1 6 SER HB3 H -9.571 -8.726 -4.333 1.00 . A W . 6 SER HB3 1 1 3 1539 1 1 6 SER HG H -11.723 -6.974 -4.058 1.00 . A W . 6 SER HG 1 1 3 1540 1 1 6 SER N N -9.069 -7.989 -1.905 1.00 . A W . 6 SER N 1 1 3 1541 1 1 6 SER O O -9.389 -5.376 -1.462 1.00 . A W . 6 SER O 1 1 3 1542 1 1 6 SER OG O -11.273 -7.771 -3.745 1.00 . A W . 6 SER OG 1 1 3 1543 1 1 7 GLU C C -8.923 -2.760 -3.315 1.00 . A W . 7 GLU C 1 1 3 1544 1 1 7 GLU CA C -10.230 -3.521 -3.424 1.00 . A W . 7 GLU CA 1 1 3 1545 1 1 7 GLU CB C -11.144 -3.271 -2.212 1.00 . A W . 7 GLU CB 1 1 3 1546 1 1 7 GLU CD C -13.167 -3.849 -3.610 1.00 . A W . 7 GLU CD 1 1 3 1547 1 1 7 GLU CG C -12.459 -4.034 -2.283 1.00 . A W . 7 GLU CG 1 1 3 1548 1 1 7 GLU H H -10.034 -5.293 -4.500 1.00 . A W . 7 GLU H 1 1 3 1549 1 1 7 GLU HA H -10.739 -3.185 -4.317 1.00 . A W . 7 GLU HA 1 1 3 1550 1 1 7 GLU HB2 H -10.625 -3.570 -1.315 1.00 . A W . 7 GLU HB2 1 1 3 1551 1 1 7 GLU HB3 H -11.369 -2.215 -2.152 1.00 . A W . 7 GLU HB3 1 1 3 1552 1 1 7 GLU HG2 H -12.255 -5.086 -2.148 1.00 . A W . 7 GLU HG2 1 1 3 1553 1 1 7 GLU HG3 H -13.107 -3.687 -1.492 1.00 . A W . 7 GLU HG3 1 1 3 1554 1 1 7 GLU N N -9.923 -4.927 -3.616 1.00 . A W . 7 GLU N 1 1 3 1555 1 1 7 GLU O O -8.460 -2.406 -2.229 1.00 . A W . 7 GLU O 1 1 3 1556 1 1 7 GLU OE1 O -12.908 -4.643 -4.538 1.00 . A W . 7 GLU OE1 1 1 3 1557 1 1 7 GLU OE2 O -13.976 -2.904 -3.735 1.00 . A W . 7 GLU OE2 1 1 3 1558 1 1 8 TRP C C -7.039 -0.703 -5.438 1.00 . A W . 8 TRP C 1 1 3 1559 1 1 8 TRP CA C -6.996 -1.936 -4.556 1.00 . A W . 8 TRP CA 1 1 3 1560 1 1 8 TRP CB C -5.999 -2.920 -5.194 1.00 . A W . 8 TRP CB 1 1 3 1561 1 1 8 TRP CD1 C -6.146 -5.476 -5.040 1.00 . A W . 8 TRP CD1 1 1 3 1562 1 1 8 TRP CD2 C -5.657 -4.437 -3.137 1.00 . A W . 8 TRP CD2 1 1 3 1563 1 1 8 TRP CE2 C -5.714 -5.815 -2.879 1.00 . A W . 8 TRP CE2 1 1 3 1564 1 1 8 TRP CE3 C -5.368 -3.565 -2.109 1.00 . A W . 8 TRP CE3 1 1 3 1565 1 1 8 TRP CG C -5.930 -4.239 -4.506 1.00 . A W . 8 TRP CG 1 1 3 1566 1 1 8 TRP CH2 C -5.231 -5.443 -0.599 1.00 . A W . 8 TRP CH2 1 1 3 1567 1 1 8 TRP CZ2 C -5.497 -6.338 -1.607 1.00 . A W . 8 TRP CZ2 1 1 3 1568 1 1 8 TRP CZ3 C -5.163 -4.075 -0.852 1.00 . A W . 8 TRP CZ3 1 1 3 1569 1 1 8 TRP H H -8.756 -2.838 -5.299 1.00 . A W . 8 TRP H 1 1 3 1570 1 1 8 TRP HA H -6.662 -1.674 -3.552 1.00 . A W . 8 TRP HA 1 1 3 1571 1 1 8 TRP HB2 H -6.293 -3.095 -6.219 1.00 . A W . 8 TRP HB2 1 1 3 1572 1 1 8 TRP HB3 H -5.013 -2.480 -5.179 1.00 . A W . 8 TRP HB3 1 1 3 1573 1 1 8 TRP HD1 H -6.383 -5.661 -6.078 1.00 . A W . 8 TRP HD1 1 1 3 1574 1 1 8 TRP HE1 H -6.111 -7.415 -4.200 1.00 . A W . 8 TRP HE1 1 1 3 1575 1 1 8 TRP HE3 H -5.279 -2.499 -2.295 1.00 . A W . 8 TRP HE3 1 1 3 1576 1 1 8 TRP HH2 H -5.065 -5.783 0.425 1.00 . A W . 8 TRP HH2 1 1 3 1577 1 1 8 TRP HZ2 H -5.545 -7.396 -1.407 1.00 . A W . 8 TRP HZ2 1 1 3 1578 1 1 8 TRP HZ3 H -4.984 -3.405 -0.027 1.00 . A W . 8 TRP HZ3 1 1 3 1579 1 1 8 TRP N N -8.317 -2.542 -4.471 1.00 . A W . 8 TRP N 1 1 3 1580 1 1 8 TRP NE1 N -6.008 -6.436 -4.065 1.00 . A W . 8 TRP NE1 1 1 3 1581 1 1 8 TRP O O -7.495 -0.768 -6.579 1.00 . A W . 8 TRP O 1 1 3 1582 1 1 9 THR C C -5.020 2.016 -5.855 1.00 . A W . 9 THR C 1 1 3 1583 1 1 9 THR CA C -6.459 1.610 -5.729 1.00 . A W . 9 THR CA 1 1 3 1584 1 1 9 THR CB C -7.266 2.809 -5.158 1.00 . A W . 9 THR CB 1 1 3 1585 1 1 9 THR CG2 C -6.848 3.115 -3.723 1.00 . A W . 9 THR CG2 1 1 3 1586 1 1 9 THR H H -6.313 0.443 -3.976 1.00 . A W . 9 THR H 1 1 3 1587 1 1 9 THR HA H -6.842 1.385 -6.713 1.00 . A W . 9 THR HA 1 1 3 1588 1 1 9 THR HB H -8.265 2.537 -5.169 1.00 . A W . 9 THR HB 1 1 3 1589 1 1 9 THR HG1 H -8.012 4.170 -6.394 1.00 . A W . 9 THR HG1 1 1 3 1590 1 1 9 THR HG21 H -7.398 3.973 -3.358 1.00 . A W . 9 THR HG21 1 1 3 1591 1 1 9 THR HG22 H -5.784 3.325 -3.692 1.00 . A W . 9 THR HG22 1 1 3 1592 1 1 9 THR HG23 H -7.060 2.260 -3.097 1.00 . A W . 9 THR HG23 1 1 3 1593 1 1 9 THR N N -6.580 0.416 -4.921 1.00 . A W . 9 THR N 1 1 3 1594 1 1 9 THR O O -4.093 1.319 -5.434 1.00 . A W . 9 THR O 1 1 3 1595 1 1 9 THR OG1 O -7.162 3.992 -5.971 1.00 . A W . 9 THR OG1 1 1 3 1596 1 1 10 GLU C C -3.404 5.005 -5.832 1.00 . A W . 10 GLU C 1 1 3 1597 1 1 10 GLU CA C -3.601 3.773 -6.695 1.00 . A W . 10 GLU CA 1 1 3 1598 1 1 10 GLU CB C -3.474 4.169 -8.159 1.00 . A W . 10 GLU CB 1 1 3 1599 1 1 10 GLU CD C -3.319 3.459 -10.570 1.00 . A W . 10 GLU CD 1 1 3 1600 1 1 10 GLU CG C -3.604 3.019 -9.145 1.00 . A W . 10 GLU CG 1 1 3 1601 1 1 10 GLU H H -5.742 3.664 -6.592 1.00 . A W . 10 GLU H 1 1 3 1602 1 1 10 GLU HA H -2.830 3.050 -6.454 1.00 . A W . 10 GLU HA 1 1 3 1603 1 1 10 GLU HB2 H -4.242 4.885 -8.377 1.00 . A W . 10 GLU HB2 1 1 3 1604 1 1 10 GLU HB3 H -2.509 4.633 -8.308 1.00 . A W . 10 GLU HB3 1 1 3 1605 1 1 10 GLU HG2 H -2.913 2.238 -8.872 1.00 . A W . 10 GLU HG2 1 1 3 1606 1 1 10 GLU HG3 H -4.611 2.634 -9.098 1.00 . A W . 10 GLU HG3 1 1 3 1607 1 1 10 GLU N N -4.887 3.164 -6.419 1.00 . A W . 10 GLU N 1 1 3 1608 1 1 10 GLU O O -4.198 5.944 -5.885 1.00 . A W . 10 GLU O 1 1 3 1609 1 1 10 GLU OE1 O -2.130 3.589 -10.937 1.00 . A W . 10 GLU OE1 1 1 3 1610 1 1 10 GLU OE2 O -4.284 3.700 -11.327 1.00 . A W . 10 GLU OE2 1 1 3 1611 1 1 11 TYR C C -0.572 6.575 -4.493 1.00 . A W . 11 TYR C 1 1 3 1612 1 1 11 TYR CA C -2.010 6.164 -4.247 1.00 . A W . 11 TYR CA 1 1 3 1613 1 1 11 TYR CB C -2.271 5.901 -2.765 1.00 . A W . 11 TYR CB 1 1 3 1614 1 1 11 TYR CD1 C -4.796 6.024 -2.627 1.00 . A W . 11 TYR CD1 1 1 3 1615 1 1 11 TYR CD2 C -3.518 7.672 -1.478 1.00 . A W . 11 TYR CD2 1 1 3 1616 1 1 11 TYR CE1 C -5.966 6.621 -2.187 1.00 . A W . 11 TYR CE1 1 1 3 1617 1 1 11 TYR CE2 C -4.681 8.269 -1.036 1.00 . A W . 11 TYR CE2 1 1 3 1618 1 1 11 TYR CG C -3.552 6.540 -2.278 1.00 . A W . 11 TYR CG 1 1 3 1619 1 1 11 TYR CZ C -5.901 7.744 -1.394 1.00 . A W . 11 TYR CZ 1 1 3 1620 1 1 11 TYR H H -1.773 4.214 -5.023 1.00 . A W . 11 TYR H 1 1 3 1621 1 1 11 TYR HA H -2.649 6.975 -4.568 1.00 . A W . 11 TYR HA 1 1 3 1622 1 1 11 TYR HB2 H -2.345 4.835 -2.599 1.00 . A W . 11 TYR HB2 1 1 3 1623 1 1 11 TYR HB3 H -1.456 6.300 -2.181 1.00 . A W . 11 TYR HB3 1 1 3 1624 1 1 11 TYR HD1 H -4.844 5.142 -3.245 1.00 . A W . 11 TYR HD1 1 1 3 1625 1 1 11 TYR HD2 H -2.562 8.086 -1.194 1.00 . A W . 11 TYR HD2 1 1 3 1626 1 1 11 TYR HE1 H -6.924 6.207 -2.468 1.00 . A W . 11 TYR HE1 1 1 3 1627 1 1 11 TYR HE2 H -4.632 9.152 -0.414 1.00 . A W . 11 TYR HE2 1 1 3 1628 1 1 11 TYR HH H -6.907 9.300 -0.877 1.00 . A W . 11 TYR HH 1 1 3 1629 1 1 11 TYR N N -2.350 5.008 -5.053 1.00 . A W . 11 TYR N 1 1 3 1630 1 1 11 TYR O O 0.369 5.889 -4.093 1.00 . A W . 11 TYR O 1 1 3 1631 1 1 11 TYR OH O -7.056 8.342 -0.944 1.00 . A W . 11 TYR OH 1 1 3 1632 1 1 12 LYS C C 1.238 9.345 -4.606 1.00 . A W . 12 LYS C 1 1 3 1633 1 1 12 LYS CA C 0.884 8.207 -5.548 1.00 . A W . 12 LYS CA 1 1 3 1634 1 1 12 LYS CB C 0.906 8.678 -7.014 1.00 . A W . 12 LYS CB 1 1 3 1635 1 1 12 LYS CD C -0.278 6.631 -7.935 1.00 . A W . 12 LYS CD 1 1 3 1636 1 1 12 LYS CE C -0.241 5.489 -8.939 1.00 . A W . 12 LYS CE 1 1 3 1637 1 1 12 LYS CG C 0.932 7.549 -8.050 1.00 . A W . 12 LYS CG 1 1 3 1638 1 1 12 LYS H H -1.219 8.172 -5.484 1.00 . A W . 12 LYS H 1 1 3 1639 1 1 12 LYS HA H 1.608 7.415 -5.419 1.00 . A W . 12 LYS HA 1 1 3 1640 1 1 12 LYS HB2 H 0.025 9.277 -7.198 1.00 . A W . 12 LYS HB2 1 1 3 1641 1 1 12 LYS HB3 H 1.780 9.294 -7.167 1.00 . A W . 12 LYS HB3 1 1 3 1642 1 1 12 LYS HD2 H -0.305 6.215 -6.940 1.00 . A W . 12 LYS HD2 1 1 3 1643 1 1 12 LYS HD3 H -1.172 7.213 -8.103 1.00 . A W . 12 LYS HD3 1 1 3 1644 1 1 12 LYS HE2 H 0.786 5.179 -9.069 1.00 . A W . 12 LYS HE2 1 1 3 1645 1 1 12 LYS HE3 H -0.811 4.664 -8.542 1.00 . A W . 12 LYS HE3 1 1 3 1646 1 1 12 LYS HG2 H 0.941 7.984 -9.039 1.00 . A W . 12 LYS HG2 1 1 3 1647 1 1 12 LYS HG3 H 1.828 6.964 -7.908 1.00 . A W . 12 LYS HG3 1 1 3 1648 1 1 12 LYS HZ1 H -0.979 5.013 -10.839 1.00 . A W . 12 LYS HZ1 1 1 3 1649 1 1 12 LYS HZ2 H -0.142 6.494 -10.787 1.00 . A W . 12 LYS HZ2 1 1 3 1650 1 1 12 LYS HZ3 H -1.705 6.378 -10.149 1.00 . A W . 12 LYS HZ3 1 1 3 1651 1 1 12 LYS N N -0.421 7.683 -5.198 1.00 . A W . 12 LYS N 1 1 3 1652 1 1 12 LYS NZ N -0.801 5.871 -10.269 1.00 . A W . 12 LYS NZ 1 1 3 1653 1 1 12 LYS O O 0.532 10.354 -4.535 1.00 . A W . 12 LYS O 1 1 3 1654 1 1 13 THR C C 3.364 11.358 -3.497 1.00 . A W . 13 THR C 1 1 3 1655 1 1 13 THR CA C 2.730 10.120 -2.863 1.00 . A W . 13 THR CA 1 1 3 1656 1 1 13 THR CB C 3.716 9.472 -1.877 1.00 . A W . 13 THR CB 1 1 3 1657 1 1 13 THR CG2 C 2.999 8.507 -0.941 1.00 . A W . 13 THR CG2 1 1 3 1658 1 1 13 THR H H 2.845 8.345 -3.988 1.00 . A W . 13 THR H 1 1 3 1659 1 1 13 THR HA H 1.851 10.423 -2.311 1.00 . A W . 13 THR HA 1 1 3 1660 1 1 13 THR HB H 4.170 10.251 -1.287 1.00 . A W . 13 THR HB 1 1 3 1661 1 1 13 THR HG1 H 5.610 9.127 -2.344 1.00 . A W . 13 THR HG1 1 1 3 1662 1 1 13 THR HG21 H 3.713 8.055 -0.267 1.00 . A W . 13 THR HG21 1 1 3 1663 1 1 13 THR HG22 H 2.516 7.733 -1.521 1.00 . A W . 13 THR HG22 1 1 3 1664 1 1 13 THR HG23 H 2.257 9.046 -0.374 1.00 . A W . 13 THR HG23 1 1 3 1665 1 1 13 THR N N 2.314 9.159 -3.865 1.00 . A W . 13 THR N 1 1 3 1666 1 1 13 THR O O 3.683 11.369 -4.688 1.00 . A W . 13 THR O 1 1 3 1667 1 1 13 THR OG1 O 4.736 8.777 -2.603 1.00 . A W . 13 THR OG1 1 1 3 1668 1 1 14 ALA C C 5.472 13.611 -3.697 1.00 . A W . 14 ALA C 1 1 3 1669 1 1 14 ALA CA C 4.038 13.687 -3.176 1.00 . A W . 14 ALA CA 1 1 3 1670 1 1 14 ALA CB C 3.942 14.730 -2.074 1.00 . A W . 14 ALA CB 1 1 3 1671 1 1 14 ALA H H 3.375 12.293 -1.734 1.00 . A W . 14 ALA H 1 1 3 1672 1 1 14 ALA HA H 3.389 13.998 -3.982 1.00 . A W . 14 ALA HA 1 1 3 1673 1 1 14 ALA HB1 H 4.588 14.450 -1.259 1.00 . A W . 14 ALA HB1 1 1 3 1674 1 1 14 ALA HB2 H 2.923 14.789 -1.722 1.00 . A W . 14 ALA HB2 1 1 3 1675 1 1 14 ALA HB3 H 4.244 15.692 -2.460 1.00 . A W . 14 ALA HB3 1 1 3 1676 1 1 14 ALA N N 3.556 12.396 -2.687 1.00 . A W . 14 ALA N 1 1 3 1677 1 1 14 ALA O O 5.888 14.446 -4.500 1.00 . A W . 14 ALA O 1 1 3 1678 1 1 15 ASP C C 7.625 11.622 -4.980 1.00 . A W . 15 ASP C 1 1 3 1679 1 1 15 ASP CA C 7.603 12.451 -3.695 1.00 . A W . 15 ASP CA 1 1 3 1680 1 1 15 ASP CB C 8.464 11.789 -2.617 1.00 . A W . 15 ASP CB 1 1 3 1681 1 1 15 ASP CG C 8.146 10.322 -2.428 1.00 . A W . 15 ASP CG 1 1 3 1682 1 1 15 ASP H H 5.871 12.012 -2.553 1.00 . A W . 15 ASP H 1 1 3 1683 1 1 15 ASP HA H 8.004 13.430 -3.914 1.00 . A W . 15 ASP HA 1 1 3 1684 1 1 15 ASP HB2 H 9.504 11.879 -2.893 1.00 . A W . 15 ASP HB2 1 1 3 1685 1 1 15 ASP HB3 H 8.303 12.295 -1.676 1.00 . A W . 15 ASP HB3 1 1 3 1686 1 1 15 ASP N N 6.233 12.629 -3.227 1.00 . A W . 15 ASP N 1 1 3 1687 1 1 15 ASP O O 8.651 11.517 -5.648 1.00 . A W . 15 ASP O 1 1 3 1688 1 1 15 ASP OD1 O 6.966 9.998 -2.178 1.00 . A W . 15 ASP OD1 1 1 3 1689 1 1 15 ASP OD2 O 9.073 9.490 -2.536 1.00 . A W . 15 ASP OD2 1 1 3 1690 1 1 16 GLY C C 6.582 8.813 -6.386 1.00 . A W . 16 GLY C 1 1 3 1691 1 1 16 GLY CA C 6.346 10.302 -6.553 1.00 . A W . 16 GLY CA 1 1 3 1692 1 1 16 GLY H H 5.714 11.109 -4.713 1.00 . A W . 16 GLY H 1 1 3 1693 1 1 16 GLY HA2 H 5.348 10.453 -6.938 1.00 . A W . 16 GLY HA2 1 1 3 1694 1 1 16 GLY HA3 H 7.055 10.692 -7.268 1.00 . A W . 16 GLY HA3 1 1 3 1695 1 1 16 GLY N N 6.480 11.038 -5.315 1.00 . A W . 16 GLY N 1 1 3 1696 1 1 16 GLY O O 7.479 8.248 -7.014 1.00 . A W . 16 GLY O 1 1 3 1697 1 1 17 LYS C C 4.531 6.090 -5.730 1.00 . A W . 17 LYS C 1 1 3 1698 1 1 17 LYS CA C 5.864 6.733 -5.364 1.00 . A W . 17 LYS CA 1 1 3 1699 1 1 17 LYS CB C 6.237 6.366 -3.922 1.00 . A W . 17 LYS CB 1 1 3 1700 1 1 17 LYS CD C 8.694 6.046 -4.350 1.00 . A W . 17 LYS CD 1 1 3 1701 1 1 17 LYS CE C 10.092 6.251 -3.790 1.00 . A W . 17 LYS CE 1 1 3 1702 1 1 17 LYS CG C 7.647 6.764 -3.515 1.00 . A W . 17 LYS CG 1 1 3 1703 1 1 17 LYS H H 5.141 8.690 -5.009 1.00 . A W . 17 LYS H 1 1 3 1704 1 1 17 LYS HA H 6.625 6.359 -6.032 1.00 . A W . 17 LYS HA 1 1 3 1705 1 1 17 LYS HB2 H 5.548 6.857 -3.250 1.00 . A W . 17 LYS HB2 1 1 3 1706 1 1 17 LYS HB3 H 6.141 5.297 -3.800 1.00 . A W . 17 LYS HB3 1 1 3 1707 1 1 17 LYS HD2 H 8.473 4.989 -4.364 1.00 . A W . 17 LYS HD2 1 1 3 1708 1 1 17 LYS HD3 H 8.661 6.436 -5.357 1.00 . A W . 17 LYS HD3 1 1 3 1709 1 1 17 LYS HE2 H 10.111 5.896 -2.771 1.00 . A W . 17 LYS HE2 1 1 3 1710 1 1 17 LYS HE3 H 10.788 5.676 -4.384 1.00 . A W . 17 LYS HE3 1 1 3 1711 1 1 17 LYS HG2 H 7.763 7.831 -3.647 1.00 . A W . 17 LYS HG2 1 1 3 1712 1 1 17 LYS HG3 H 7.792 6.512 -2.476 1.00 . A W . 17 LYS HG3 1 1 3 1713 1 1 17 LYS HZ1 H 11.391 7.801 -3.282 1.00 . A W . 17 LYS HZ1 1 1 3 1714 1 1 17 LYS HZ2 H 9.765 8.273 -3.367 1.00 . A W . 17 LYS HZ2 1 1 3 1715 1 1 17 LYS HZ3 H 10.651 7.993 -4.791 1.00 . A W . 17 LYS HZ3 1 1 3 1716 1 1 17 LYS N N 5.791 8.178 -5.535 1.00 . A W . 17 LYS N 1 1 3 1717 1 1 17 LYS NZ N 10.502 7.676 -3.810 1.00 . A W . 17 LYS NZ 1 1 3 1718 1 1 17 LYS O O 3.467 6.664 -5.483 1.00 . A W . 17 LYS O 1 1 3 1719 1 1 18 THR C C 3.125 3.086 -5.630 1.00 . A W . 18 THR C 1 1 3 1720 1 1 18 THR CA C 3.395 4.160 -6.673 1.00 . A W . 18 THR CA 1 1 3 1721 1 1 18 THR CB C 3.519 3.495 -8.062 1.00 . A W . 18 THR CB 1 1 3 1722 1 1 18 THR CG2 C 2.284 2.661 -8.389 1.00 . A W . 18 THR CG2 1 1 3 1723 1 1 18 THR H H 5.471 4.520 -6.522 1.00 . A W . 18 THR H 1 1 3 1724 1 1 18 THR HA H 2.559 4.846 -6.696 1.00 . A W . 18 THR HA 1 1 3 1725 1 1 18 THR HB H 4.380 2.842 -8.055 1.00 . A W . 18 THR HB 1 1 3 1726 1 1 18 THR HG1 H 4.490 5.019 -8.850 1.00 . A W . 18 THR HG1 1 1 3 1727 1 1 18 THR HG21 H 2.203 1.840 -7.686 1.00 . A W . 18 THR HG21 1 1 3 1728 1 1 18 THR HG22 H 2.372 2.267 -9.391 1.00 . A W . 18 THR HG22 1 1 3 1729 1 1 18 THR HG23 H 1.403 3.280 -8.320 1.00 . A W . 18 THR HG23 1 1 3 1730 1 1 18 THR N N 4.592 4.910 -6.326 1.00 . A W . 18 THR N 1 1 3 1731 1 1 18 THR O O 3.712 2.005 -5.678 1.00 . A W . 18 THR O 1 1 3 1732 1 1 18 THR OG1 O 3.710 4.499 -9.070 1.00 . A W . 18 THR OG1 1 1 3 1733 1 1 19 TYR C C 0.370 2.166 -3.768 1.00 . A W . 19 TYR C 1 1 3 1734 1 1 19 TYR CA C 1.874 2.416 -3.682 1.00 . A W . 19 TYR CA 1 1 3 1735 1 1 19 TYR CB C 2.364 2.837 -2.277 1.00 . A W . 19 TYR CB 1 1 3 1736 1 1 19 TYR CD1 C 0.435 2.768 -0.618 1.00 . A W . 19 TYR CD1 1 1 3 1737 1 1 19 TYR CD2 C 1.517 4.838 -1.024 1.00 . A W . 19 TYR CD2 1 1 3 1738 1 1 19 TYR CE1 C -0.360 3.352 0.339 1.00 . A W . 19 TYR CE1 1 1 3 1739 1 1 19 TYR CE2 C 0.718 5.435 -0.073 1.00 . A W . 19 TYR CE2 1 1 3 1740 1 1 19 TYR CG C 1.390 3.499 -1.319 1.00 . A W . 19 TYR CG 1 1 3 1741 1 1 19 TYR CZ C -0.214 4.685 0.613 1.00 . A W . 19 TYR CZ 1 1 3 1742 1 1 19 TYR H H 1.903 4.308 -4.621 1.00 . A W . 19 TYR H 1 1 3 1743 1 1 19 TYR HA H 2.375 1.493 -3.942 1.00 . A W . 19 TYR HA 1 1 3 1744 1 1 19 TYR HB2 H 2.737 1.962 -1.776 1.00 . A W . 19 TYR HB2 1 1 3 1745 1 1 19 TYR HB3 H 3.193 3.523 -2.406 1.00 . A W . 19 TYR HB3 1 1 3 1746 1 1 19 TYR HD1 H 0.313 1.717 -0.834 1.00 . A W . 19 TYR HD1 1 1 3 1747 1 1 19 TYR HD2 H 2.231 5.429 -1.577 1.00 . A W . 19 TYR HD2 1 1 3 1748 1 1 19 TYR HE1 H -1.096 2.755 0.872 1.00 . A W . 19 TYR HE1 1 1 3 1749 1 1 19 TYR HE2 H 0.856 6.467 0.160 1.00 . A W . 19 TYR HE2 1 1 3 1750 1 1 19 TYR HH H -1.068 4.676 2.335 1.00 . A W . 19 TYR HH 1 1 3 1751 1 1 19 TYR N N 2.268 3.399 -4.670 1.00 . A W . 19 TYR N 1 1 3 1752 1 1 19 TYR O O -0.363 2.932 -4.403 1.00 . A W . 19 TYR O 1 1 3 1753 1 1 19 TYR OH O -1.000 5.271 1.577 1.00 . A W . 19 TYR OH 1 1 3 1754 1 1 20 TYR C C -2.176 0.974 -1.918 1.00 . A W . 20 TYR C 1 1 3 1755 1 1 20 TYR CA C -1.480 0.694 -3.227 1.00 . A W . 20 TYR CA 1 1 3 1756 1 1 20 TYR CB C -1.604 -0.800 -3.537 1.00 . A W . 20 TYR CB 1 1 3 1757 1 1 20 TYR CD1 C 0.395 -1.334 -5.018 1.00 . A W . 20 TYR CD1 1 1 3 1758 1 1 20 TYR CD2 C -1.809 -1.493 -5.923 1.00 . A W . 20 TYR CD2 1 1 3 1759 1 1 20 TYR CE1 C 0.926 -1.703 -6.234 1.00 . A W . 20 TYR CE1 1 1 3 1760 1 1 20 TYR CE2 C -1.281 -1.870 -7.143 1.00 . A W . 20 TYR CE2 1 1 3 1761 1 1 20 TYR CG C -0.990 -1.219 -4.846 1.00 . A W . 20 TYR CG 1 1 3 1762 1 1 20 TYR CZ C 0.084 -1.970 -7.295 1.00 . A W . 20 TYR CZ 1 1 3 1763 1 1 20 TYR H H 0.531 0.559 -2.599 1.00 . A W . 20 TYR H 1 1 3 1764 1 1 20 TYR HA H -1.952 1.261 -4.010 1.00 . A W . 20 TYR HA 1 1 3 1765 1 1 20 TYR HB2 H -1.141 -1.373 -2.753 1.00 . A W . 20 TYR HB2 1 1 3 1766 1 1 20 TYR HB3 H -2.654 -1.053 -3.576 1.00 . A W . 20 TYR HB3 1 1 3 1767 1 1 20 TYR HD1 H 1.063 -1.133 -4.189 1.00 . A W . 20 TYR HD1 1 1 3 1768 1 1 20 TYR HD2 H -2.884 -1.421 -5.793 1.00 . A W . 20 TYR HD2 1 1 3 1769 1 1 20 TYR HE1 H 1.999 -1.788 -6.343 1.00 . A W . 20 TYR HE1 1 1 3 1770 1 1 20 TYR HE2 H -1.938 -2.080 -7.970 1.00 . A W . 20 TYR HE2 1 1 3 1771 1 1 20 TYR HH H 0.136 -1.869 -9.213 1.00 . A W . 20 TYR HH 1 1 3 1772 1 1 20 TYR N N -0.087 1.096 -3.140 1.00 . A W . 20 TYR N 1 1 3 1773 1 1 20 TYR O O -1.606 0.800 -0.842 1.00 . A W . 20 TYR O 1 1 3 1774 1 1 20 TYR OH O 0.607 -2.335 -8.514 1.00 . A W . 20 TYR OH 1 1 3 1775 1 1 21 TYR C C -5.315 0.763 -0.661 1.00 . A W . 21 TYR C 1 1 3 1776 1 1 21 TYR CA C -4.163 1.725 -0.825 1.00 . A W . 21 TYR CA 1 1 3 1777 1 1 21 TYR CB C -4.640 3.176 -0.919 1.00 . A W . 21 TYR CB 1 1 3 1778 1 1 21 TYR CD1 C -4.271 4.311 1.322 1.00 . A W . 21 TYR CD1 1 1 3 1779 1 1 21 TYR CD2 C -6.506 3.761 0.673 1.00 . A W . 21 TYR CD2 1 1 3 1780 1 1 21 TYR CE1 C -4.745 4.855 2.499 1.00 . A W . 21 TYR CE1 1 1 3 1781 1 1 21 TYR CE2 C -6.982 4.302 1.848 1.00 . A W . 21 TYR CE2 1 1 3 1782 1 1 21 TYR CG C -5.147 3.751 0.387 1.00 . A W . 21 TYR CG 1 1 3 1783 1 1 21 TYR CZ C -6.099 4.849 2.756 1.00 . A W . 21 TYR CZ 1 1 3 1784 1 1 21 TYR H H -3.861 1.388 -2.883 1.00 . A W . 21 TYR H 1 1 3 1785 1 1 21 TYR HA H -3.504 1.624 0.025 1.00 . A W . 21 TYR HA 1 1 3 1786 1 1 21 TYR HB2 H -3.821 3.798 -1.251 1.00 . A W . 21 TYR HB2 1 1 3 1787 1 1 21 TYR HB3 H -5.442 3.237 -1.639 1.00 . A W . 21 TYR HB3 1 1 3 1788 1 1 21 TYR HD1 H -3.204 4.311 1.124 1.00 . A W . 21 TYR HD1 1 1 3 1789 1 1 21 TYR HD2 H -7.197 3.326 -0.037 1.00 . A W . 21 TYR HD2 1 1 3 1790 1 1 21 TYR HE1 H -4.056 5.285 3.211 1.00 . A W . 21 TYR HE1 1 1 3 1791 1 1 21 TYR HE2 H -8.042 4.297 2.053 1.00 . A W . 21 TYR HE2 1 1 3 1792 1 1 21 TYR HH H -7.252 4.817 4.295 1.00 . A W . 21 TYR HH 1 1 3 1793 1 1 21 TYR N N -3.425 1.355 -2.005 1.00 . A W . 21 TYR N 1 1 3 1794 1 1 21 TYR O O -6.339 0.837 -1.345 1.00 . A W . 21 TYR O 1 1 3 1795 1 1 21 TYR OH O -6.575 5.394 3.926 1.00 . A W . 21 TYR OH 1 1 3 1796 1 1 22 ASN C C -7.313 -0.745 0.991 1.00 . A W . 22 ASN C 1 1 3 1797 1 1 22 ASN CA C -5.970 -1.273 0.528 1.00 . A W . 22 ASN CA 1 1 3 1798 1 1 22 ASN CB C -5.302 -2.126 1.624 1.00 . A W . 22 ASN CB 1 1 3 1799 1 1 22 ASN CG C -6.178 -3.189 2.275 1.00 . A W . 22 ASN CG 1 1 3 1800 1 1 22 ASN H H -4.212 -0.144 0.700 1.00 . A W . 22 ASN H 1 1 3 1801 1 1 22 ASN HA H -6.107 -1.872 -0.372 1.00 . A W . 22 ASN HA 1 1 3 1802 1 1 22 ASN HB2 H -4.454 -2.631 1.190 1.00 . A W . 22 ASN HB2 1 1 3 1803 1 1 22 ASN HB3 H -4.946 -1.462 2.403 1.00 . A W . 22 ASN HB3 1 1 3 1804 1 1 22 ASN HD21 H -6.752 -1.922 3.696 1.00 . A W . 22 ASN HD21 1 1 3 1805 1 1 22 ASN HD22 H -7.361 -3.539 3.829 1.00 . A W . 22 ASN HD22 1 1 3 1806 1 1 22 ASN N N -5.065 -0.185 0.217 1.00 . A W . 22 ASN N 1 1 3 1807 1 1 22 ASN ND2 N -6.844 -2.846 3.364 1.00 . A W . 22 ASN ND2 1 1 3 1808 1 1 22 ASN O O -7.464 -0.303 2.126 1.00 . A W . 22 ASN O 1 1 3 1809 1 1 22 ASN OD1 O -6.221 -4.320 1.832 1.00 . A W . 22 ASN OD1 1 1 3 1810 1 1 23 ASN C C -10.324 -1.650 1.015 1.00 . A W . 23 ASN C 1 1 3 1811 1 1 23 ASN CA C -9.642 -0.422 0.440 1.00 . A W . 23 ASN CA 1 1 3 1812 1 1 23 ASN CB C -10.413 0.101 -0.778 1.00 . A W . 23 ASN CB 1 1 3 1813 1 1 23 ASN CG C -9.906 1.445 -1.258 1.00 . A W . 23 ASN CG 1 1 3 1814 1 1 23 ASN H H -8.069 -1.027 -0.832 1.00 . A W . 23 ASN H 1 1 3 1815 1 1 23 ASN HA H -9.603 0.351 1.197 1.00 . A W . 23 ASN HA 1 1 3 1816 1 1 23 ASN HB2 H -10.320 -0.607 -1.584 1.00 . A W . 23 ASN HB2 1 1 3 1817 1 1 23 ASN HB3 H -11.457 0.207 -0.518 1.00 . A W . 23 ASN HB3 1 1 3 1818 1 1 23 ASN HD21 H -10.505 1.034 -3.103 1.00 . A W . 23 ASN HD21 1 1 3 1819 1 1 23 ASN HD22 H -9.758 2.575 -2.881 1.00 . A W . 23 ASN HD22 1 1 3 1820 1 1 23 ASN N N -8.278 -0.770 0.092 1.00 . A W . 23 ASN N 1 1 3 1821 1 1 23 ASN ND2 N -10.069 1.710 -2.544 1.00 . A W . 23 ASN ND2 1 1 3 1822 1 1 23 ASN O O -11.487 -1.606 1.410 1.00 . A W . 23 ASN O 1 1 3 1823 1 1 23 ASN OD1 O -9.391 2.248 -0.479 1.00 . A W . 23 ASN OD1 1 1 3 1824 1 1 24 ARG C C -10.488 -3.804 3.071 1.00 . A W . 24 ARG C 1 1 3 1825 1 1 24 ARG CA C -10.045 -4.002 1.620 1.00 . A W . 24 ARG CA 1 1 3 1826 1 1 24 ARG CB C -8.956 -5.072 1.544 1.00 . A W . 24 ARG CB 1 1 3 1827 1 1 24 ARG CD C -8.164 -7.393 2.125 1.00 . A W . 24 ARG CD 1 1 3 1828 1 1 24 ARG CG C -9.279 -6.362 2.285 1.00 . A W . 24 ARG CG 1 1 3 1829 1 1 24 ARG CZ C -5.793 -7.524 2.849 1.00 . A W . 24 ARG CZ 1 1 3 1830 1 1 24 ARG H H -8.676 -2.721 0.658 1.00 . A W . 24 ARG H 1 1 3 1831 1 1 24 ARG HA H -10.865 -4.322 1.029 1.00 . A W . 24 ARG HA 1 1 3 1832 1 1 24 ARG HB2 H -8.785 -5.314 0.505 1.00 . A W . 24 ARG HB2 1 1 3 1833 1 1 24 ARG HB3 H -8.046 -4.665 1.958 1.00 . A W . 24 ARG HB3 1 1 3 1834 1 1 24 ARG HD2 H -8.350 -8.215 2.799 1.00 . A W . 24 ARG HD2 1 1 3 1835 1 1 24 ARG HD3 H -8.167 -7.754 1.107 1.00 . A W . 24 ARG HD3 1 1 3 1836 1 1 24 ARG HE H -6.739 -5.855 2.274 1.00 . A W . 24 ARG HE 1 1 3 1837 1 1 24 ARG HG2 H -9.398 -6.139 3.335 1.00 . A W . 24 ARG HG2 1 1 3 1838 1 1 24 ARG HG3 H -10.197 -6.773 1.895 1.00 . A W . 24 ARG HG3 1 1 3 1839 1 1 24 ARG HH11 H -6.752 -9.307 2.931 1.00 . A W . 24 ARG HH11 1 1 3 1840 1 1 24 ARG HH12 H -5.069 -9.354 3.356 1.00 . A W . 24 ARG HH12 1 1 3 1841 1 1 24 ARG HH21 H -4.562 -5.917 2.890 1.00 . A W . 24 ARG HH21 1 1 3 1842 1 1 24 ARG HH22 H -3.835 -7.410 3.397 1.00 . A W . 24 ARG HH22 1 1 3 1843 1 1 24 ARG N N -9.570 -2.753 1.048 1.00 . A W . 24 ARG N 1 1 3 1844 1 1 24 ARG NE N -6.848 -6.828 2.424 1.00 . A W . 24 ARG NE 1 1 3 1845 1 1 24 ARG NH1 N -5.886 -8.831 3.072 1.00 . A W . 24 ARG NH1 1 1 3 1846 1 1 24 ARG NH2 N -4.639 -6.899 3.059 1.00 . A W . 24 ARG NH2 1 1 3 1847 1 1 24 ARG O O -11.643 -4.025 3.428 1.00 . A W . 24 ARG O 1 1 3 1848 1 1 25 THR C C -9.187 -1.821 5.740 1.00 . A W . 25 THR C 1 1 3 1849 1 1 25 THR CA C -9.772 -3.165 5.312 1.00 . A W . 25 THR CA 1 1 3 1850 1 1 25 THR CB C -9.143 -4.291 6.153 1.00 . A W . 25 THR CB 1 1 3 1851 1 1 25 THR CG2 C -10.032 -5.527 6.171 1.00 . A W . 25 THR CG2 1 1 3 1852 1 1 25 THR H H -8.647 -3.232 3.532 1.00 . A W . 25 THR H 1 1 3 1853 1 1 25 THR HA H -10.835 -3.162 5.486 1.00 . A W . 25 THR HA 1 1 3 1854 1 1 25 THR HB H -9.025 -3.938 7.166 1.00 . A W . 25 THR HB 1 1 3 1855 1 1 25 THR HG1 H -7.271 -4.899 6.342 1.00 . A W . 25 THR HG1 1 1 3 1856 1 1 25 THR HG21 H -10.183 -5.876 5.160 1.00 . A W . 25 THR HG21 1 1 3 1857 1 1 25 THR HG22 H -10.988 -5.278 6.613 1.00 . A W . 25 THR HG22 1 1 3 1858 1 1 25 THR HG23 H -9.558 -6.304 6.752 1.00 . A W . 25 THR HG23 1 1 3 1859 1 1 25 THR N N -9.539 -3.397 3.895 1.00 . A W . 25 THR N 1 1 3 1860 1 1 25 THR O O -8.962 -1.586 6.926 1.00 . A W . 25 THR O 1 1 3 1861 1 1 25 THR OG1 O -7.849 -4.625 5.622 1.00 . A W . 25 THR OG1 1 1 3 1862 1 1 26 LEU C C -6.823 0.061 5.426 1.00 . A W . 26 LEU C 1 1 3 1863 1 1 26 LEU CA C -8.266 0.320 4.972 1.00 . A W . 26 LEU CA 1 1 3 1864 1 1 26 LEU CB C -9.028 1.198 5.977 1.00 . A W . 26 LEU CB 1 1 3 1865 1 1 26 LEU CD1 C -7.455 3.172 6.081 1.00 . A W . 26 LEU CD1 1 1 3 1866 1 1 26 LEU CD2 C -9.272 3.109 4.372 1.00 . A W . 26 LEU CD2 1 1 3 1867 1 1 26 LEU CG C -8.875 2.710 5.784 1.00 . A W . 26 LEU CG 1 1 3 1868 1 1 26 LEU H H -9.274 -1.161 3.861 1.00 . A W . 26 LEU H 1 1 3 1869 1 1 26 LEU HA H -8.236 0.832 4.022 1.00 . A W . 26 LEU HA 1 1 3 1870 1 1 26 LEU HB2 H -10.080 0.956 5.909 1.00 . A W . 26 LEU HB2 1 1 3 1871 1 1 26 LEU HB3 H -8.687 0.952 6.972 1.00 . A W . 26 LEU HB3 1 1 3 1872 1 1 26 LEU HD11 H -7.381 4.235 5.914 1.00 . A W . 26 LEU HD11 1 1 3 1873 1 1 26 LEU HD12 H -6.766 2.656 5.429 1.00 . A W . 26 LEU HD12 1 1 3 1874 1 1 26 LEU HD13 H -7.212 2.951 7.108 1.00 . A W . 26 LEU HD13 1 1 3 1875 1 1 26 LEU HD21 H -8.665 2.569 3.660 1.00 . A W . 26 LEU HD21 1 1 3 1876 1 1 26 LEU HD22 H -9.119 4.168 4.246 1.00 . A W . 26 LEU HD22 1 1 3 1877 1 1 26 LEU HD23 H -10.314 2.874 4.207 1.00 . A W . 26 LEU HD23 1 1 3 1878 1 1 26 LEU HG H -9.539 3.217 6.466 1.00 . A W . 26 LEU HG 1 1 3 1879 1 1 26 LEU N N -8.953 -0.951 4.758 1.00 . A W . 26 LEU N 1 1 3 1880 1 1 26 LEU O O -6.513 0.060 6.619 1.00 . A W . 26 LEU O 1 1 3 1881 1 1 27 GLU C C -3.699 0.122 3.613 1.00 . A W . 27 GLU C 1 1 3 1882 1 1 27 GLU CA C -4.557 -0.511 4.704 1.00 . A W . 27 GLU CA 1 1 3 1883 1 1 27 GLU CB C -4.330 -2.035 4.744 1.00 . A W . 27 GLU CB 1 1 3 1884 1 1 27 GLU CD C -2.424 -1.826 6.388 1.00 . A W . 27 GLU CD 1 1 3 1885 1 1 27 GLU CG C -2.910 -2.443 5.089 1.00 . A W . 27 GLU CG 1 1 3 1886 1 1 27 GLU H H -6.274 -0.158 3.516 1.00 . A W . 27 GLU H 1 1 3 1887 1 1 27 GLU HA H -4.290 -0.082 5.659 1.00 . A W . 27 GLU HA 1 1 3 1888 1 1 27 GLU HB2 H -4.998 -2.479 5.462 1.00 . A W . 27 GLU HB2 1 1 3 1889 1 1 27 GLU HB3 H -4.561 -2.439 3.768 1.00 . A W . 27 GLU HB3 1 1 3 1890 1 1 27 GLU HG2 H -2.867 -3.518 5.180 1.00 . A W . 27 GLU HG2 1 1 3 1891 1 1 27 GLU HG3 H -2.261 -2.123 4.282 1.00 . A W . 27 GLU HG3 1 1 3 1892 1 1 27 GLU N N -5.961 -0.205 4.449 1.00 . A W . 27 GLU N 1 1 3 1893 1 1 27 GLU O O -4.218 0.581 2.603 1.00 . A W . 27 GLU O 1 1 3 1894 1 1 27 GLU OE1 O -2.700 -2.399 7.463 1.00 . A W . 27 GLU OE1 1 1 3 1895 1 1 27 GLU OE2 O -1.767 -0.766 6.333 1.00 . A W . 27 GLU OE2 1 1 3 1896 1 1 28 SER C C -0.519 -0.467 2.390 1.00 . A W . 28 SER C 1 1 3 1897 1 1 28 SER CA C -1.481 0.655 2.829 1.00 . A W . 28 SER CA 1 1 3 1898 1 1 28 SER CB C -0.725 1.858 3.386 1.00 . A W . 28 SER CB 1 1 3 1899 1 1 28 SER H H -2.062 -0.093 4.724 1.00 . A W . 28 SER H 1 1 3 1900 1 1 28 SER HA H -2.068 0.966 1.970 1.00 . A W . 28 SER HA 1 1 3 1901 1 1 28 SER HB2 H -0.458 1.663 4.412 1.00 . A W . 28 SER HB2 1 1 3 1902 1 1 28 SER HB3 H 0.171 2.027 2.824 1.00 . A W . 28 SER HB3 1 1 3 1903 1 1 28 SER HG H -2.456 2.770 3.290 1.00 . A W . 28 SER HG 1 1 3 1904 1 1 28 SER N N -2.411 0.193 3.842 1.00 . A W . 28 SER N 1 1 3 1905 1 1 28 SER O O -0.227 -1.382 3.166 1.00 . A W . 28 SER O 1 1 3 1906 1 1 28 SER OG O -1.527 3.023 3.352 1.00 . A W . 28 SER OG 1 1 3 1907 1 1 29 THR C C 1.929 -0.524 -0.282 1.00 . A W . 29 THR C 1 1 3 1908 1 1 29 THR CA C 1.014 -1.304 0.660 1.00 . A W . 29 THR CA 1 1 3 1909 1 1 29 THR CB C 0.464 -2.531 -0.131 1.00 . A W . 29 THR CB 1 1 3 1910 1 1 29 THR CG2 C -0.747 -3.166 0.528 1.00 . A W . 29 THR CG2 1 1 3 1911 1 1 29 THR H H -0.395 0.278 0.522 1.00 . A W . 29 THR H 1 1 3 1912 1 1 29 THR HA H 1.583 -1.656 1.509 1.00 . A W . 29 THR HA 1 1 3 1913 1 1 29 THR HB H 1.247 -3.275 -0.194 1.00 . A W . 29 THR HB 1 1 3 1914 1 1 29 THR HG1 H 0.758 -2.463 -2.076 1.00 . A W . 29 THR HG1 1 1 3 1915 1 1 29 THR HG21 H -1.530 -2.430 0.626 1.00 . A W . 29 THR HG21 1 1 3 1916 1 1 29 THR HG22 H -0.475 -3.541 1.500 1.00 . A W . 29 THR HG22 1 1 3 1917 1 1 29 THR HG23 H -1.098 -3.980 -0.093 1.00 . A W . 29 THR HG23 1 1 3 1918 1 1 29 THR N N -0.036 -0.398 1.143 1.00 . A W . 29 THR N 1 1 3 1919 1 1 29 THR O O 1.448 0.234 -1.099 1.00 . A W . 29 THR O 1 1 3 1920 1 1 29 THR OG1 O 0.095 -2.144 -1.451 1.00 . A W . 29 THR OG1 1 1 3 1921 1 1 30 TRP C C 4.028 -0.636 -2.498 1.00 . A W . 30 TRP C 1 1 3 1922 1 1 30 TRP CA C 4.149 -0.032 -1.102 1.00 . A W . 30 TRP CA 1 1 3 1923 1 1 30 TRP CB C 5.576 -0.176 -0.601 1.00 . A W . 30 TRP CB 1 1 3 1924 1 1 30 TRP CD1 C 5.767 0.429 1.875 1.00 . A W . 30 TRP CD1 1 1 3 1925 1 1 30 TRP CD2 C 6.430 2.025 0.503 1.00 . A W . 30 TRP CD2 1 1 3 1926 1 1 30 TRP CE2 C 6.639 2.448 1.828 1.00 . A W . 30 TRP CE2 1 1 3 1927 1 1 30 TRP CE3 C 6.753 2.876 -0.539 1.00 . A W . 30 TRP CE3 1 1 3 1928 1 1 30 TRP CG C 5.916 0.709 0.559 1.00 . A W . 30 TRP CG 1 1 3 1929 1 1 30 TRP CH2 C 7.457 4.508 1.112 1.00 . A W . 30 TRP CH2 1 1 3 1930 1 1 30 TRP CZ2 C 7.157 3.682 2.143 1.00 . A W . 30 TRP CZ2 1 1 3 1931 1 1 30 TRP CZ3 C 7.256 4.122 -0.230 1.00 . A W . 30 TRP CZ3 1 1 3 1932 1 1 30 TRP H H 3.590 -1.266 0.532 1.00 . A W . 30 TRP H 1 1 3 1933 1 1 30 TRP HA H 3.903 1.024 -1.155 1.00 . A W . 30 TRP HA 1 1 3 1934 1 1 30 TRP HB2 H 5.731 -1.197 -0.286 1.00 . A W . 30 TRP HB2 1 1 3 1935 1 1 30 TRP HB3 H 6.259 0.054 -1.407 1.00 . A W . 30 TRP HB3 1 1 3 1936 1 1 30 TRP HD1 H 5.351 -0.456 2.243 1.00 . A W . 30 TRP HD1 1 1 3 1937 1 1 30 TRP HE1 H 6.263 1.461 3.626 1.00 . A W . 30 TRP HE1 1 1 3 1938 1 1 30 TRP HE3 H 6.582 2.582 -1.566 1.00 . A W . 30 TRP HE3 1 1 3 1939 1 1 30 TRP HH2 H 7.827 5.483 1.324 1.00 . A W . 30 TRP HH2 1 1 3 1940 1 1 30 TRP HZ2 H 7.320 3.993 3.161 1.00 . A W . 30 TRP HZ2 1 1 3 1941 1 1 30 TRP HZ3 H 7.505 4.809 -1.023 1.00 . A W . 30 TRP HZ3 1 1 3 1942 1 1 30 TRP N N 3.233 -0.696 -0.177 1.00 . A W . 30 TRP N 1 1 3 1943 1 1 30 TRP NE1 N 6.239 1.448 2.644 1.00 . A W . 30 TRP NE1 1 1 3 1944 1 1 30 TRP O O 3.712 0.054 -3.460 1.00 . A W . 30 TRP O 1 1 3 1945 1 1 31 GLU C C 2.975 -3.440 -4.088 1.00 . A W . 31 GLU C 1 1 3 1946 1 1 31 GLU CA C 4.245 -2.604 -3.887 1.00 . A W . 31 GLU CA 1 1 3 1947 1 1 31 GLU CB C 5.486 -3.480 -4.040 1.00 . A W . 31 GLU CB 1 1 3 1948 1 1 31 GLU CD C 7.259 -2.006 -2.974 1.00 . A W . 31 GLU CD 1 1 3 1949 1 1 31 GLU CG C 6.774 -2.697 -4.233 1.00 . A W . 31 GLU CG 1 1 3 1950 1 1 31 GLU H H 4.449 -2.449 -1.792 1.00 . A W . 31 GLU H 1 1 3 1951 1 1 31 GLU HA H 4.273 -1.840 -4.646 1.00 . A W . 31 GLU HA 1 1 3 1952 1 1 31 GLU HB2 H 5.592 -4.099 -3.162 1.00 . A W . 31 GLU HB2 1 1 3 1953 1 1 31 GLU HB3 H 5.348 -4.109 -4.893 1.00 . A W . 31 GLU HB3 1 1 3 1954 1 1 31 GLU HG2 H 7.545 -3.373 -4.571 1.00 . A W . 31 GLU HG2 1 1 3 1955 1 1 31 GLU HG3 H 6.597 -1.945 -4.990 1.00 . A W . 31 GLU HG3 1 1 3 1956 1 1 31 GLU N N 4.257 -1.934 -2.598 1.00 . A W . 31 GLU N 1 1 3 1957 1 1 31 GLU O O 2.053 -3.393 -3.267 1.00 . A W . 31 GLU O 1 1 3 1958 1 1 31 GLU OE1 O 7.326 -2.665 -1.914 1.00 . A W . 31 GLU OE1 1 1 3 1959 1 1 31 GLU OE2 O 7.595 -0.805 -3.048 1.00 . A W . 31 GLU OE2 1 1 3 1960 1 1 32 LYS C C 1.377 -5.970 -4.478 1.00 . A W . 32 LYS C 1 1 3 1961 1 1 32 LYS CA C 1.813 -5.021 -5.586 1.00 . A W . 32 LYS CA 1 1 3 1962 1 1 32 LYS CB C 2.179 -5.856 -6.816 1.00 . A W . 32 LYS CB 1 1 3 1963 1 1 32 LYS CD C 2.895 -5.935 -9.211 1.00 . A W . 32 LYS CD 1 1 3 1964 1 1 32 LYS CE C 2.956 -5.190 -10.532 1.00 . A W . 32 LYS CE 1 1 3 1965 1 1 32 LYS CG C 2.412 -5.045 -8.078 1.00 . A W . 32 LYS CG 1 1 3 1966 1 1 32 LYS H H 3.711 -4.161 -5.800 1.00 . A W . 32 LYS H 1 1 3 1967 1 1 32 LYS HA H 0.990 -4.373 -5.839 1.00 . A W . 32 LYS HA 1 1 3 1968 1 1 32 LYS HB2 H 3.078 -6.408 -6.602 1.00 . A W . 32 LYS HB2 1 1 3 1969 1 1 32 LYS HB3 H 1.377 -6.555 -7.012 1.00 . A W . 32 LYS HB3 1 1 3 1970 1 1 32 LYS HD2 H 3.881 -6.301 -8.971 1.00 . A W . 32 LYS HD2 1 1 3 1971 1 1 32 LYS HD3 H 2.215 -6.769 -9.310 1.00 . A W . 32 LYS HD3 1 1 3 1972 1 1 32 LYS HE2 H 3.316 -5.863 -11.297 1.00 . A W . 32 LYS HE2 1 1 3 1973 1 1 32 LYS HE3 H 1.962 -4.852 -10.789 1.00 . A W . 32 LYS HE3 1 1 3 1974 1 1 32 LYS HG2 H 1.484 -4.574 -8.370 1.00 . A W . 32 LYS HG2 1 1 3 1975 1 1 32 LYS HG3 H 3.158 -4.288 -7.881 1.00 . A W . 32 LYS HG3 1 1 3 1976 1 1 32 LYS HZ1 H 3.496 -3.321 -9.791 1.00 . A W . 32 LYS HZ1 1 1 3 1977 1 1 32 LYS HZ2 H 3.938 -3.568 -11.402 1.00 . A W . 32 LYS HZ2 1 1 3 1978 1 1 32 LYS HZ3 H 4.814 -4.312 -10.151 1.00 . A W . 32 LYS HZ3 1 1 3 1979 1 1 32 LYS N N 2.947 -4.187 -5.201 1.00 . A W . 32 LYS N 1 1 3 1980 1 1 32 LYS NZ N 3.861 -4.016 -10.461 1.00 . A W . 32 LYS NZ 1 1 3 1981 1 1 32 LYS O O 2.208 -6.508 -3.734 1.00 . A W . 32 LYS O 1 1 3 1982 1 1 33 PRO C C -0.211 -8.607 -3.876 1.00 . A W . 33 PRO C 1 1 3 1983 1 1 33 PRO CA C -0.550 -7.163 -3.482 1.00 . A W . 33 PRO CA 1 1 3 1984 1 1 33 PRO CB C -2.054 -6.903 -3.660 1.00 . A W . 33 PRO CB 1 1 3 1985 1 1 33 PRO CD C -0.961 -5.368 -5.052 1.00 . A W . 33 PRO CD 1 1 3 1986 1 1 33 PRO CG C -2.132 -5.503 -4.137 1.00 . A W . 33 PRO CG 1 1 3 1987 1 1 33 PRO HA H -0.275 -6.998 -2.454 1.00 . A W . 33 PRO HA 1 1 3 1988 1 1 33 PRO HB2 H -2.454 -7.584 -4.398 1.00 . A W . 33 PRO HB2 1 1 3 1989 1 1 33 PRO HB3 H -2.566 -7.033 -2.717 1.00 . A W . 33 PRO HB3 1 1 3 1990 1 1 33 PRO HD2 H -1.188 -5.784 -6.023 1.00 . A W . 33 PRO HD2 1 1 3 1991 1 1 33 PRO HD3 H -0.655 -4.337 -5.136 1.00 . A W . 33 PRO HD3 1 1 3 1992 1 1 33 PRO HG2 H -3.056 -5.347 -4.675 1.00 . A W . 33 PRO HG2 1 1 3 1993 1 1 33 PRO HG3 H -2.049 -4.818 -3.308 1.00 . A W . 33 PRO HG3 1 1 3 1994 1 1 33 PRO N N 0.059 -6.164 -4.365 1.00 . A W . 33 PRO N 1 1 3 1995 1 1 33 PRO O O 0.683 -8.863 -4.689 1.00 . A W . 33 PRO O 1 1 3 1996 1 1 34 GLN C C -1.386 -11.588 -4.635 1.00 . A W . 34 GLN C 1 1 3 1997 1 1 34 GLN CA C -0.644 -10.971 -3.456 1.00 . A W . 34 GLN CA 1 1 3 1998 1 1 34 GLN CB C -1.006 -11.708 -2.170 1.00 . A W . 34 GLN CB 1 1 3 1999 1 1 34 GLN CD C -0.789 -11.773 0.350 1.00 . A W . 34 GLN CD 1 1 3 2000 1 1 34 GLN CG C -0.249 -11.208 -0.951 1.00 . A W . 34 GLN CG 1 1 3 2001 1 1 34 GLN H H -1.747 -9.288 -2.794 1.00 . A W . 34 GLN H 1 1 3 2002 1 1 34 GLN HA H 0.418 -11.064 -3.622 1.00 . A W . 34 GLN HA 1 1 3 2003 1 1 34 GLN HB2 H -2.062 -11.587 -1.988 1.00 . A W . 34 GLN HB2 1 1 3 2004 1 1 34 GLN HB3 H -0.788 -12.758 -2.296 1.00 . A W . 34 GLN HB3 1 1 3 2005 1 1 34 GLN HE21 H 0.418 -13.344 0.206 1.00 . A W . 34 GLN HE21 1 1 3 2006 1 1 34 GLN HE22 H -0.615 -13.306 1.602 1.00 . A W . 34 GLN HE22 1 1 3 2007 1 1 34 GLN HG2 H 0.787 -11.493 -1.044 1.00 . A W . 34 GLN HG2 1 1 3 2008 1 1 34 GLN HG3 H -0.322 -10.131 -0.914 1.00 . A W . 34 GLN HG3 1 1 3 2009 1 1 34 GLN N N -0.954 -9.552 -3.310 1.00 . A W . 34 GLN N 1 1 3 2010 1 1 34 GLN NE2 N -0.278 -12.920 0.758 1.00 . A W . 34 GLN NE2 1 1 3 2011 1 1 34 GLN O O -0.840 -12.412 -5.365 1.00 . A W . 34 GLN O 1 1 3 2012 1 1 34 GLN OE1 O -1.665 -11.182 0.980 1.00 . A W . 34 GLN OE1 1 1 3 2013 1 1 35 GLU C C -3.476 -10.690 -7.050 1.00 . A W . 35 GLU C 1 1 3 2014 1 1 35 GLU CA C -3.463 -11.688 -5.895 1.00 . A W . 35 GLU CA 1 1 3 2015 1 1 35 GLU CB C -4.894 -11.964 -5.413 1.00 . A W . 35 GLU CB 1 1 3 2016 1 1 35 GLU CD C -5.072 -9.701 -4.233 1.00 . A W . 35 GLU CD 1 1 3 2017 1 1 35 GLU CG C -5.304 -11.199 -4.148 1.00 . A W . 35 GLU CG 1 1 3 2018 1 1 35 GLU H H -3.035 -10.570 -4.149 1.00 . A W . 35 GLU H 1 1 3 2019 1 1 35 GLU HA H -3.028 -12.613 -6.245 1.00 . A W . 35 GLU HA 1 1 3 2020 1 1 35 GLU HB2 H -5.584 -11.704 -6.202 1.00 . A W . 35 GLU HB2 1 1 3 2021 1 1 35 GLU HB3 H -4.983 -13.022 -5.207 1.00 . A W . 35 GLU HB3 1 1 3 2022 1 1 35 GLU HG2 H -6.353 -11.369 -3.967 1.00 . A W . 35 GLU HG2 1 1 3 2023 1 1 35 GLU HG3 H -4.735 -11.586 -3.316 1.00 . A W . 35 GLU HG3 1 1 3 2024 1 1 35 GLU N N -2.640 -11.203 -4.794 1.00 . A W . 35 GLU N 1 1 3 2025 1 1 35 GLU O O -3.646 -11.065 -8.211 1.00 . A W . 35 GLU O 1 1 3 2026 1 1 35 GLU OE1 O -5.881 -8.996 -4.870 1.00 . A W . 35 GLU OE1 1 1 3 2027 1 1 35 GLU OE2 O -4.056 -9.231 -3.671 1.00 . A W . 35 GLU OE2 1 1 3 2028 1 1 36 LEU C C -1.996 -8.312 -8.491 1.00 . A W . 36 LEU C 1 1 3 2029 1 1 36 LEU CA C -3.312 -8.361 -7.714 1.00 . A W . 36 LEU CA 1 1 3 2030 1 1 36 LEU CB C -3.619 -7.010 -7.052 1.00 . A W . 36 LEU CB 1 1 3 2031 1 1 36 LEU CD1 C -4.198 -5.820 -9.191 1.00 . A W . 36 LEU CD1 1 1 3 2032 1 1 36 LEU CD2 C -3.673 -4.497 -7.149 1.00 . A W . 36 LEU CD2 1 1 3 2033 1 1 36 LEU CG C -3.369 -5.771 -7.920 1.00 . A W . 36 LEU CG 1 1 3 2034 1 1 36 LEU H H -3.174 -9.190 -5.772 1.00 . A W . 36 LEU H 1 1 3 2035 1 1 36 LEU HA H -4.102 -8.592 -8.412 1.00 . A W . 36 LEU HA 1 1 3 2036 1 1 36 LEU HB2 H -4.659 -7.009 -6.762 1.00 . A W . 36 LEU HB2 1 1 3 2037 1 1 36 LEU HB3 H -3.016 -6.926 -6.159 1.00 . A W . 36 LEU HB3 1 1 3 2038 1 1 36 LEU HD11 H -3.913 -6.683 -9.772 1.00 . A W . 36 LEU HD11 1 1 3 2039 1 1 36 LEU HD12 H -4.029 -4.922 -9.770 1.00 . A W . 36 LEU HD12 1 1 3 2040 1 1 36 LEU HD13 H -5.244 -5.890 -8.932 1.00 . A W . 36 LEU HD13 1 1 3 2041 1 1 36 LEU HD21 H -4.701 -4.517 -6.812 1.00 . A W . 36 LEU HD21 1 1 3 2042 1 1 36 LEU HD22 H -3.519 -3.639 -7.788 1.00 . A W . 36 LEU HD22 1 1 3 2043 1 1 36 LEU HD23 H -3.017 -4.429 -6.291 1.00 . A W . 36 LEU HD23 1 1 3 2044 1 1 36 LEU HG H -2.326 -5.753 -8.196 1.00 . A W . 36 LEU HG 1 1 3 2045 1 1 36 LEU N N -3.301 -9.420 -6.718 1.00 . A W . 36 LEU N 1 1 3 2046 1 1 36 LEU O O -1.076 -7.568 -8.141 1.00 . A W . 36 LEU O 1 1 3 2047 1 1 37 LYS C C 0.529 -9.359 -9.770 1.00 . A W . 37 LYS C 1 1 3 2048 1 1 37 LYS CA C -0.812 -9.167 -10.472 1.00 . A W . 37 LYS CA 1 1 3 2049 1 1 37 LYS CB C -0.817 -7.889 -11.324 1.00 . A W . 37 LYS CB 1 1 3 2050 1 1 37 LYS CD C -2.154 -6.423 -12.880 1.00 . A W . 37 LYS CD 1 1 3 2051 1 1 37 LYS CE C -3.353 -6.365 -13.816 1.00 . A W . 37 LYS CE 1 1 3 2052 1 1 37 LYS CG C -2.043 -7.783 -12.217 1.00 . A W . 37 LYS CG 1 1 3 2053 1 1 37 LYS H H -2.655 -9.785 -9.653 1.00 . A W . 37 LYS H 1 1 3 2054 1 1 37 LYS HA H -0.969 -10.014 -11.124 1.00 . A W . 37 LYS HA 1 1 3 2055 1 1 37 LYS HB2 H -0.798 -7.031 -10.671 1.00 . A W . 37 LYS HB2 1 1 3 2056 1 1 37 LYS HB3 H 0.062 -7.877 -11.951 1.00 . A W . 37 LYS HB3 1 1 3 2057 1 1 37 LYS HD2 H -2.273 -5.672 -12.116 1.00 . A W . 37 LYS HD2 1 1 3 2058 1 1 37 LYS HD3 H -1.255 -6.231 -13.446 1.00 . A W . 37 LYS HD3 1 1 3 2059 1 1 37 LYS HE2 H -3.425 -5.368 -14.221 1.00 . A W . 37 LYS HE2 1 1 3 2060 1 1 37 LYS HE3 H -3.201 -7.068 -14.624 1.00 . A W . 37 LYS HE3 1 1 3 2061 1 1 37 LYS HG2 H -1.982 -8.539 -12.986 1.00 . A W . 37 LYS HG2 1 1 3 2062 1 1 37 LYS HG3 H -2.925 -7.951 -11.617 1.00 . A W . 37 LYS HG3 1 1 3 2063 1 1 37 LYS HZ1 H -4.887 -5.929 -12.458 1.00 . A W . 37 LYS HZ1 1 1 3 2064 1 1 37 LYS HZ2 H -4.532 -7.585 -12.580 1.00 . A W . 37 LYS HZ2 1 1 3 2065 1 1 37 LYS HZ3 H -5.400 -6.809 -13.811 1.00 . A W . 37 LYS HZ3 1 1 3 2066 1 1 37 LYS N N -1.929 -9.144 -9.528 1.00 . A W . 37 LYS N 1 1 3 2067 1 1 37 LYS NZ N -4.629 -6.694 -13.117 1.00 . A W . 37 LYS NZ 1 1 3 2068 1 1 37 LYS O O 0.650 -10.326 -8.989 1.00 . A W . 37 LYS O 1 1 3 2069 1 1 37 LYS OXT O 1.470 -8.589 -10.050 1.00 . A W . 37 LYS OXT 1 1 3 2070 2 2 1 PRO C C -3.040 13.391 0.830 1.00 . B P . 101 PRO C 1 1 3 2071 2 2 1 PRO CA C -3.119 14.907 0.716 1.00 . B P . 101 PRO CA 1 1 3 2072 2 2 1 PRO CB C -2.554 15.554 1.969 1.00 . B P . 101 PRO CB 1 1 3 2073 2 2 1 PRO CD C -4.751 16.392 1.549 1.00 . B P . 101 PRO CD 1 1 3 2074 2 2 1 PRO CG C -3.763 16.084 2.649 1.00 . B P . 101 PRO CG 1 1 3 2075 2 2 1 PRO H2 H -5.091 14.467 0.639 1.00 . B P . 101 PRO H2 1 1 3 2076 2 2 1 PRO H3 H -4.610 15.565 -0.473 1.00 . B P . 101 PRO H3 1 1 3 2077 2 2 1 PRO HA H -2.552 15.231 -0.145 1.00 . B P . 101 PRO HA 1 1 3 2078 2 2 1 PRO HB2 H -2.045 14.813 2.570 1.00 . B P . 101 PRO HB2 1 1 3 2079 2 2 1 PRO HB3 H -1.872 16.346 1.699 1.00 . B P . 101 PRO HB3 1 1 3 2080 2 2 1 PRO HD2 H -5.762 16.347 1.930 1.00 . B P . 101 PRO HD2 1 1 3 2081 2 2 1 PRO HD3 H -4.550 17.366 1.129 1.00 . B P . 101 PRO HD3 1 1 3 2082 2 2 1 PRO HG2 H -4.166 15.335 3.317 1.00 . B P . 101 PRO HG2 1 1 3 2083 2 2 1 PRO HG3 H -3.517 16.982 3.195 1.00 . B P . 101 PRO HG3 1 1 3 2084 2 2 1 PRO N N -4.525 15.334 0.547 1.00 . B P . 101 PRO N 1 1 3 2085 2 2 1 PRO O O -3.931 12.762 1.403 1.00 . B P . 101 PRO O 1 1 3 2086 2 2 2 PRO C C -1.210 10.929 1.707 1.00 . B P . 102 PRO C 1 1 3 2087 2 2 2 PRO CA C -1.778 11.344 0.353 1.00 . B P . 102 PRO CA 1 1 3 2088 2 2 2 PRO CB C -0.772 11.069 -0.765 1.00 . B P . 102 PRO CB 1 1 3 2089 2 2 2 PRO CD C -0.937 13.455 -0.518 1.00 . B P . 102 PRO CD 1 1 3 2090 2 2 2 PRO CG C 0.004 12.339 -0.895 1.00 . B P . 102 PRO CG 1 1 3 2091 2 2 2 PRO HA H -2.690 10.796 0.164 1.00 . B P . 102 PRO HA 1 1 3 2092 2 2 2 PRO HB2 H -0.138 10.241 -0.489 1.00 . B P . 102 PRO HB2 1 1 3 2093 2 2 2 PRO HB3 H -1.298 10.837 -1.678 1.00 . B P . 102 PRO HB3 1 1 3 2094 2 2 2 PRO HD2 H -0.424 14.194 0.083 1.00 . B P . 102 PRO HD2 1 1 3 2095 2 2 2 PRO HD3 H -1.351 13.910 -1.404 1.00 . B P . 102 PRO HD3 1 1 3 2096 2 2 2 PRO HG2 H 0.849 12.320 -0.223 1.00 . B P . 102 PRO HG2 1 1 3 2097 2 2 2 PRO HG3 H 0.339 12.460 -1.914 1.00 . B P . 102 PRO HG3 1 1 3 2098 2 2 2 PRO N N -1.992 12.784 0.262 1.00 . B P . 102 PRO N 1 1 3 2099 2 2 2 PRO O O -0.479 11.688 2.347 1.00 . B P . 102 PRO O 1 1 3 2100 2 2 3 PRO C C 0.410 8.593 3.145 1.00 . B P . 103 PRO C 1 1 3 2101 2 2 3 PRO CA C -0.991 9.139 3.378 1.00 . B P . 103 PRO CA 1 1 3 2102 2 2 3 PRO CB C -1.959 7.980 3.694 1.00 . B P . 103 PRO CB 1 1 3 2103 2 2 3 PRO CD C -2.551 8.845 1.567 1.00 . B P . 103 PRO CD 1 1 3 2104 2 2 3 PRO CG C -3.118 8.167 2.772 1.00 . B P . 103 PRO CG 1 1 3 2105 2 2 3 PRO HA H -0.979 9.844 4.198 1.00 . B P . 103 PRO HA 1 1 3 2106 2 2 3 PRO HB2 H -1.466 7.034 3.503 1.00 . B P . 103 PRO HB2 1 1 3 2107 2 2 3 PRO HB3 H -2.264 8.033 4.729 1.00 . B P . 103 PRO HB3 1 1 3 2108 2 2 3 PRO HD2 H -2.095 8.124 0.904 1.00 . B P . 103 PRO HD2 1 1 3 2109 2 2 3 PRO HD3 H -3.309 9.415 1.057 1.00 . B P . 103 PRO HD3 1 1 3 2110 2 2 3 PRO HG2 H -3.535 7.207 2.501 1.00 . B P . 103 PRO HG2 1 1 3 2111 2 2 3 PRO HG3 H -3.868 8.788 3.237 1.00 . B P . 103 PRO HG3 1 1 3 2112 2 2 3 PRO N N -1.549 9.724 2.164 1.00 . B P . 103 PRO N 1 1 3 2113 2 2 3 PRO O O 0.740 8.152 2.039 1.00 . B P . 103 PRO O 1 1 3 2114 2 2 4 LEU C C 2.298 6.481 4.341 1.00 . B P . 104 LEU C 1 1 3 2115 2 2 4 LEU CA C 2.522 7.967 4.120 1.00 . B P . 104 LEU CA 1 1 3 2116 2 2 4 LEU CB C 3.484 8.533 5.181 1.00 . B P . 104 LEU CB 1 1 3 2117 2 2 4 LEU CD1 C 4.852 10.432 6.080 1.00 . B P . 104 LEU CD1 1 1 3 2118 2 2 4 LEU CD2 C 4.581 10.151 3.603 1.00 . B P . 104 LEU CD2 1 1 3 2119 2 2 4 LEU CG C 3.916 9.988 4.964 1.00 . B P . 104 LEU CG 1 1 3 2120 2 2 4 LEU H H 0.968 9.107 4.991 1.00 . B P . 104 LEU H 1 1 3 2121 2 2 4 LEU HA H 2.939 8.120 3.138 1.00 . B P . 104 LEU HA 1 1 3 2122 2 2 4 LEU HB2 H 3.001 8.461 6.146 1.00 . B P . 104 LEU HB2 1 1 3 2123 2 2 4 LEU HB3 H 4.372 7.919 5.199 1.00 . B P . 104 LEU HB3 1 1 3 2124 2 2 4 LEU HD11 H 4.349 10.340 7.032 1.00 . B P . 104 LEU HD11 1 1 3 2125 2 2 4 LEU HD12 H 5.137 11.462 5.922 1.00 . B P . 104 LEU HD12 1 1 3 2126 2 2 4 LEU HD13 H 5.736 9.810 6.078 1.00 . B P . 104 LEU HD13 1 1 3 2127 2 2 4 LEU HD21 H 3.878 9.890 2.827 1.00 . B P . 104 LEU HD21 1 1 3 2128 2 2 4 LEU HD22 H 5.441 9.503 3.544 1.00 . B P . 104 LEU HD22 1 1 3 2129 2 2 4 LEU HD23 H 4.894 11.177 3.474 1.00 . B P . 104 LEU HD23 1 1 3 2130 2 2 4 LEU HG H 3.044 10.627 4.990 1.00 . B P . 104 LEU HG 1 1 3 2131 2 2 4 LEU N N 1.236 8.633 4.180 1.00 . B P . 104 LEU N 1 1 3 2132 2 2 4 LEU O O 1.370 6.094 5.051 1.00 . B P . 104 LEU O 1 1 3 2133 2 2 5 ILE C C 3.478 3.768 5.236 1.00 . B P . 105 ILE C 1 1 3 2134 2 2 5 ILE CA C 2.954 4.217 3.878 1.00 . B P . 105 ILE CA 1 1 3 2135 2 2 5 ILE CB C 3.710 3.390 2.799 1.00 . B P . 105 ILE CB 1 1 3 2136 2 2 5 ILE CD1 C 4.320 5.137 1.074 1.00 . B P . 105 ILE CD1 1 1 3 2137 2 2 5 ILE CG1 C 3.532 3.878 1.380 1.00 . B P . 105 ILE CG1 1 1 3 2138 2 2 5 ILE CG2 C 3.248 1.941 2.829 1.00 . B P . 105 ILE CG2 1 1 3 2139 2 2 5 ILE H H 3.868 6.000 3.208 1.00 . B P . 105 ILE H 1 1 3 2140 2 2 5 ILE HA H 1.898 3.995 3.811 1.00 . B P . 105 ILE HA 1 1 3 2141 2 2 5 ILE HB H 4.786 3.424 3.029 1.00 . B P . 105 ILE HB 1 1 3 2142 2 2 5 ILE HD11 H 5.100 5.253 1.812 1.00 . B P . 105 ILE HD11 1 1 3 2143 2 2 5 ILE HD12 H 3.665 5.994 1.116 1.00 . B P . 105 ILE HD12 1 1 3 2144 2 2 5 ILE HD13 H 4.766 5.061 0.096 1.00 . B P . 105 ILE HD13 1 1 3 2145 2 2 5 ILE HG12 H 3.897 3.059 0.736 1.00 . B P . 105 ILE HG12 1 1 3 2146 2 2 5 ILE HG13 H 2.471 4.088 1.173 1.00 . B P . 105 ILE HG13 1 1 3 2147 2 2 5 ILE HG21 H 3.781 1.380 2.078 1.00 . B P . 105 ILE HG21 1 1 3 2148 2 2 5 ILE HG22 H 2.190 1.897 2.622 1.00 . B P . 105 ILE HG22 1 1 3 2149 2 2 5 ILE HG23 H 3.441 1.514 3.801 1.00 . B P . 105 ILE HG23 1 1 3 2150 2 2 5 ILE N N 3.129 5.649 3.741 1.00 . B P . 105 ILE N 1 1 3 2151 2 2 5 ILE O O 4.415 4.368 5.765 1.00 . B P . 105 ILE O 1 1 3 2152 2 2 6 PRO C C 4.620 1.099 6.451 1.00 . B P . 106 PRO C 1 1 3 2153 2 2 6 PRO CA C 3.510 2.027 6.952 1.00 . B P . 106 PRO CA 1 1 3 2154 2 2 6 PRO CB C 2.342 1.212 7.525 1.00 . B P . 106 PRO CB 1 1 3 2155 2 2 6 PRO CD C 1.590 2.144 5.462 1.00 . B P . 106 PRO CD 1 1 3 2156 2 2 6 PRO CG C 1.470 0.938 6.341 1.00 . B P . 106 PRO CG 1 1 3 2157 2 2 6 PRO HA H 3.898 2.711 7.695 1.00 . B P . 106 PRO HA 1 1 3 2158 2 2 6 PRO HB2 H 2.717 0.300 7.961 1.00 . B P . 106 PRO HB2 1 1 3 2159 2 2 6 PRO HB3 H 1.822 1.792 8.273 1.00 . B P . 106 PRO HB3 1 1 3 2160 2 2 6 PRO HD2 H 1.583 1.847 4.425 1.00 . B P . 106 PRO HD2 1 1 3 2161 2 2 6 PRO HD3 H 0.786 2.836 5.657 1.00 . B P . 106 PRO HD3 1 1 3 2162 2 2 6 PRO HG2 H 1.816 0.058 5.822 1.00 . B P . 106 PRO HG2 1 1 3 2163 2 2 6 PRO HG3 H 0.442 0.809 6.645 1.00 . B P . 106 PRO HG3 1 1 3 2164 2 2 6 PRO N N 2.892 2.716 5.826 1.00 . B P . 106 PRO N 1 1 3 2165 2 2 6 PRO O O 4.548 0.586 5.333 1.00 . B P . 106 PRO O 1 1 3 2166 2 2 7 PRO C C 6.293 -1.523 7.235 1.00 . B P . 107 PRO C 1 1 3 2167 2 2 7 PRO CA C 6.712 -0.088 6.927 1.00 . B P . 107 PRO CA 1 1 3 2168 2 2 7 PRO CB C 7.875 0.338 7.822 1.00 . B P . 107 PRO CB 1 1 3 2169 2 2 7 PRO CD C 5.944 1.596 8.510 1.00 . B P . 107 PRO CD 1 1 3 2170 2 2 7 PRO CG C 7.220 0.961 9.009 1.00 . B P . 107 PRO CG 1 1 3 2171 2 2 7 PRO HA H 7.004 -0.023 5.884 1.00 . B P . 107 PRO HA 1 1 3 2172 2 2 7 PRO HB2 H 8.458 -0.531 8.099 1.00 . B P . 107 PRO HB2 1 1 3 2173 2 2 7 PRO HB3 H 8.499 1.045 7.298 1.00 . B P . 107 PRO HB3 1 1 3 2174 2 2 7 PRO HD2 H 5.141 1.439 9.218 1.00 . B P . 107 PRO HD2 1 1 3 2175 2 2 7 PRO HD3 H 6.089 2.651 8.335 1.00 . B P . 107 PRO HD3 1 1 3 2176 2 2 7 PRO HG2 H 6.996 0.201 9.740 1.00 . B P . 107 PRO HG2 1 1 3 2177 2 2 7 PRO HG3 H 7.870 1.714 9.437 1.00 . B P . 107 PRO HG3 1 1 3 2178 2 2 7 PRO N N 5.671 0.888 7.243 1.00 . B P . 107 PRO N 1 1 3 2179 2 2 7 PRO O O 5.507 -1.764 8.154 1.00 . B P . 107 PRO O 1 1 3 2180 2 2 8 PRO C C 7.767 -4.209 7.914 1.00 . B P . 108 PRO C 1 1 3 2181 2 2 8 PRO CA C 6.713 -3.898 6.850 1.00 . B P . 108 PRO CA 1 1 3 2182 2 2 8 PRO CB C 7.015 -4.635 5.545 1.00 . B P . 108 PRO CB 1 1 3 2183 2 2 8 PRO CD C 7.475 -2.306 5.172 1.00 . B P . 108 PRO CD 1 1 3 2184 2 2 8 PRO CG C 7.899 -3.703 4.785 1.00 . B P . 108 PRO CG 1 1 3 2185 2 2 8 PRO HA H 5.727 -4.157 7.217 1.00 . B P . 108 PRO HA 1 1 3 2186 2 2 8 PRO HB2 H 7.513 -5.569 5.762 1.00 . B P . 108 PRO HB2 1 1 3 2187 2 2 8 PRO HB3 H 6.093 -4.824 5.015 1.00 . B P . 108 PRO HB3 1 1 3 2188 2 2 8 PRO HD2 H 8.338 -1.665 5.279 1.00 . B P . 108 PRO HD2 1 1 3 2189 2 2 8 PRO HD3 H 6.794 -1.901 4.439 1.00 . B P . 108 PRO HD3 1 1 3 2190 2 2 8 PRO HG2 H 8.930 -3.872 5.061 1.00 . B P . 108 PRO HG2 1 1 3 2191 2 2 8 PRO HG3 H 7.765 -3.853 3.723 1.00 . B P . 108 PRO HG3 1 1 3 2192 2 2 8 PRO N N 6.799 -2.493 6.472 1.00 . B P . 108 PRO N 1 1 3 2193 2 2 8 PRO O O 8.814 -3.558 7.948 1.00 . B P . 108 PRO O 1 1 3 2194 2 2 9 PRO C C 9.582 -6.373 9.429 1.00 . B P . 109 PRO C 1 1 3 2195 2 2 9 PRO CA C 8.429 -5.489 9.900 1.00 . B P . 109 PRO CA 1 1 3 2196 2 2 9 PRO CB C 7.552 -6.239 10.919 1.00 . B P . 109 PRO CB 1 1 3 2197 2 2 9 PRO CD C 6.284 -5.959 8.896 1.00 . B P . 109 PRO CD 1 1 3 2198 2 2 9 PRO CG C 6.157 -6.208 10.371 1.00 . B P . 109 PRO CG 1 1 3 2199 2 2 9 PRO HA H 8.831 -4.599 10.361 1.00 . B P . 109 PRO HA 1 1 3 2200 2 2 9 PRO HB2 H 7.913 -7.250 11.025 1.00 . B P . 109 PRO HB2 1 1 3 2201 2 2 9 PRO HB3 H 7.606 -5.736 11.875 1.00 . B P . 109 PRO HB3 1 1 3 2202 2 2 9 PRO HD2 H 6.401 -6.890 8.361 1.00 . B P . 109 PRO HD2 1 1 3 2203 2 2 9 PRO HD3 H 5.430 -5.411 8.527 1.00 . B P . 109 PRO HD3 1 1 3 2204 2 2 9 PRO HG2 H 5.671 -7.155 10.549 1.00 . B P . 109 PRO HG2 1 1 3 2205 2 2 9 PRO HG3 H 5.601 -5.409 10.837 1.00 . B P . 109 PRO HG3 1 1 3 2206 2 2 9 PRO N N 7.499 -5.152 8.823 1.00 . B P . 109 PRO N 1 1 3 2207 2 2 9 PRO O O 10.476 -5.865 8.726 1.00 . B P . 109 PRO O 1 1 3 2208 2 2 9 PRO OXT O 9.599 -7.569 9.785 1.00 . B P . 109 PRO OXT 1 1 4 2209 1 1 1 GLY C C -10.274 -16.579 -2.364 1.00 . A W . 1 GLY C 1 1 4 2210 1 1 1 GLY CA C -8.983 -16.560 -1.577 1.00 . A W . 1 GLY CA 1 1 4 2211 1 1 1 GLY H1 H -6.937 -16.364 -1.900 1.00 . A W . 1 GLY H1 1 1 4 2212 1 1 1 GLY H2 H -7.884 -15.732 -3.144 1.00 . A W . 1 GLY H2 1 1 4 2213 1 1 1 GLY H3 H -7.700 -17.409 -2.991 1.00 . A W . 1 GLY H3 1 1 4 2214 1 1 1 GLY HA2 H -8.932 -17.447 -0.965 1.00 . A W . 1 GLY HA2 1 1 4 2215 1 1 1 GLY HA3 H -8.975 -15.689 -0.936 1.00 . A W . 1 GLY HA3 1 1 4 2216 1 1 1 GLY N N -7.796 -16.515 -2.462 1.00 . A W . 1 GLY N 1 1 4 2217 1 1 1 GLY O O -10.257 -16.551 -3.596 1.00 . A W . 1 GLY O 1 1 4 2218 1 1 2 ALA C C -13.351 -15.222 -1.904 1.00 . A W . 2 ALA C 1 1 4 2219 1 1 2 ALA CA C -12.702 -16.547 -2.280 1.00 . A W . 2 ALA CA 1 1 4 2220 1 1 2 ALA CB C -13.582 -17.706 -1.854 1.00 . A W . 2 ALA CB 1 1 4 2221 1 1 2 ALA H H -11.337 -16.792 -0.686 1.00 . A W . 2 ALA H 1 1 4 2222 1 1 2 ALA HA H -12.573 -16.590 -3.353 1.00 . A W . 2 ALA HA 1 1 4 2223 1 1 2 ALA HB1 H -14.538 -17.633 -2.350 1.00 . A W . 2 ALA HB1 1 1 4 2224 1 1 2 ALA HB2 H -13.727 -17.668 -0.784 1.00 . A W . 2 ALA HB2 1 1 4 2225 1 1 2 ALA HB3 H -13.106 -18.636 -2.120 1.00 . A W . 2 ALA HB3 1 1 4 2226 1 1 2 ALA N N -11.391 -16.652 -1.657 1.00 . A W . 2 ALA N 1 1 4 2227 1 1 2 ALA O O -14.293 -14.773 -2.549 1.00 . A W . 2 ALA O 1 1 4 2228 1 1 3 THR C C -12.185 -12.638 0.394 1.00 . A W . 3 THR C 1 1 4 2229 1 1 3 THR CA C -13.297 -13.311 -0.408 1.00 . A W . 3 THR CA 1 1 4 2230 1 1 3 THR CB C -14.589 -13.405 0.446 1.00 . A W . 3 THR CB 1 1 4 2231 1 1 3 THR CG2 C -14.314 -14.099 1.776 1.00 . A W . 3 THR CG2 1 1 4 2232 1 1 3 THR H H -12.122 -15.054 -0.346 1.00 . A W . 3 THR H 1 1 4 2233 1 1 3 THR HA H -13.505 -12.715 -1.289 1.00 . A W . 3 THR HA 1 1 4 2234 1 1 3 THR HB H -15.320 -13.989 -0.100 1.00 . A W . 3 THR HB 1 1 4 2235 1 1 3 THR HG1 H -15.794 -11.886 0.011 1.00 . A W . 3 THR HG1 1 1 4 2236 1 1 3 THR HG21 H -13.923 -15.089 1.590 1.00 . A W . 3 THR HG21 1 1 4 2237 1 1 3 THR HG22 H -15.230 -14.174 2.338 1.00 . A W . 3 THR HG22 1 1 4 2238 1 1 3 THR HG23 H -13.590 -13.526 2.340 1.00 . A W . 3 THR HG23 1 1 4 2239 1 1 3 THR N N -12.842 -14.613 -0.847 1.00 . A W . 3 THR N 1 1 4 2240 1 1 3 THR O O -11.221 -13.305 0.793 1.00 . A W . 3 THR O 1 1 4 2241 1 1 3 THR OG1 O -15.127 -12.094 0.686 1.00 . A W . 3 THR OG1 1 1 4 2242 1 1 4 ALA C C -10.038 -10.414 0.474 1.00 . A W . 4 ALA C 1 1 4 2243 1 1 4 ALA CA C -11.310 -10.528 1.305 1.00 . A W . 4 ALA CA 1 1 4 2244 1 1 4 ALA CB C -11.006 -11.083 2.696 1.00 . A W . 4 ALA CB 1 1 4 2245 1 1 4 ALA H H -13.147 -10.891 0.318 1.00 . A W . 4 ALA H 1 1 4 2246 1 1 4 ALA HA H -11.714 -9.537 1.433 1.00 . A W . 4 ALA HA 1 1 4 2247 1 1 4 ALA HB1 H -10.567 -12.064 2.605 1.00 . A W . 4 ALA HB1 1 1 4 2248 1 1 4 ALA HB2 H -11.921 -11.148 3.265 1.00 . A W . 4 ALA HB2 1 1 4 2249 1 1 4 ALA HB3 H -10.313 -10.426 3.205 1.00 . A W . 4 ALA HB3 1 1 4 2250 1 1 4 ALA N N -12.326 -11.331 0.621 1.00 . A W . 4 ALA N 1 1 4 2251 1 1 4 ALA O O -9.920 -11.010 -0.597 1.00 . A W . 4 ALA O 1 1 4 2252 1 1 5 VAL C C -8.081 -8.853 -1.118 1.00 . A W . 5 VAL C 1 1 4 2253 1 1 5 VAL CA C -7.831 -9.372 0.301 1.00 . A W . 5 VAL CA 1 1 4 2254 1 1 5 VAL CB C -6.925 -10.631 0.256 1.00 . A W . 5 VAL CB 1 1 4 2255 1 1 5 VAL CG1 C -5.527 -10.282 -0.246 1.00 . A W . 5 VAL CG1 1 1 4 2256 1 1 5 VAL CG2 C -6.852 -11.286 1.630 1.00 . A W . 5 VAL CG2 1 1 4 2257 1 1 5 VAL H H -9.261 -9.200 1.848 1.00 . A W . 5 VAL H 1 1 4 2258 1 1 5 VAL HA H -7.312 -8.606 0.859 1.00 . A W . 5 VAL HA 1 1 4 2259 1 1 5 VAL HB H -7.361 -11.336 -0.429 1.00 . A W . 5 VAL HB 1 1 4 2260 1 1 5 VAL HG11 H -4.925 -11.176 -0.285 1.00 . A W . 5 VAL HG11 1 1 4 2261 1 1 5 VAL HG12 H -5.071 -9.569 0.428 1.00 . A W . 5 VAL HG12 1 1 4 2262 1 1 5 VAL HG13 H -5.596 -9.849 -1.234 1.00 . A W . 5 VAL HG13 1 1 4 2263 1 1 5 VAL HG21 H -6.241 -12.173 1.573 1.00 . A W . 5 VAL HG21 1 1 4 2264 1 1 5 VAL HG22 H -7.846 -11.554 1.954 1.00 . A W . 5 VAL HG22 1 1 4 2265 1 1 5 VAL HG23 H -6.417 -10.591 2.335 1.00 . A W . 5 VAL HG23 1 1 4 2266 1 1 5 VAL N N -9.096 -9.625 0.982 1.00 . A W . 5 VAL N 1 1 4 2267 1 1 5 VAL O O -7.729 -9.497 -2.106 1.00 . A W . 5 VAL O 1 1 4 2268 1 1 6 SER C C -9.453 -5.613 -2.147 1.00 . A W . 6 SER C 1 1 4 2269 1 1 6 SER CA C -9.045 -7.047 -2.449 1.00 . A W . 6 SER CA 1 1 4 2270 1 1 6 SER CB C -10.213 -7.794 -3.102 1.00 . A W . 6 SER CB 1 1 4 2271 1 1 6 SER H H -8.924 -7.207 -0.391 1.00 . A W . 6 SER H 1 1 4 2272 1 1 6 SER HA H -8.179 -7.047 -3.094 1.00 . A W . 6 SER HA 1 1 4 2273 1 1 6 SER HB2 H -11.062 -7.760 -2.449 1.00 . A W . 6 SER HB2 1 1 4 2274 1 1 6 SER HB3 H -10.461 -7.311 -4.011 1.00 . A W . 6 SER HB3 1 1 4 2275 1 1 6 SER HG H -9.140 -9.427 -2.865 1.00 . A W . 6 SER HG 1 1 4 2276 1 1 6 SER N N -8.682 -7.672 -1.201 1.00 . A W . 6 SER N 1 1 4 2277 1 1 6 SER O O -9.283 -5.174 -1.008 1.00 . A W . 6 SER O 1 1 4 2278 1 1 6 SER OG O -9.908 -9.149 -3.383 1.00 . A W . 6 SER OG 1 1 4 2279 1 1 7 GLU C C -8.891 -2.758 -2.991 1.00 . A W . 7 GLU C 1 1 4 2280 1 1 7 GLU CA C -10.232 -3.473 -3.043 1.00 . A W . 7 GLU CA 1 1 4 2281 1 1 7 GLU CB C -11.099 -3.108 -1.828 1.00 . A W . 7 GLU CB 1 1 4 2282 1 1 7 GLU CD C -13.266 -3.560 -3.050 1.00 . A W . 7 GLU CD 1 1 4 2283 1 1 7 GLU CG C -12.449 -3.808 -1.800 1.00 . A W . 7 GLU CG 1 1 4 2284 1 1 7 GLU H H -10.216 -5.353 -3.976 1.00 . A W . 7 GLU H 1 1 4 2285 1 1 7 GLU HA H -10.744 -3.173 -3.947 1.00 . A W . 7 GLU HA 1 1 4 2286 1 1 7 GLU HB2 H -10.565 -3.365 -0.927 1.00 . A W . 7 GLU HB2 1 1 4 2287 1 1 7 GLU HB3 H -11.273 -2.040 -1.837 1.00 . A W . 7 GLU HB3 1 1 4 2288 1 1 7 GLU HG2 H -12.285 -4.870 -1.701 1.00 . A W . 7 GLU HG2 1 1 4 2289 1 1 7 GLU HG3 H -13.005 -3.448 -0.948 1.00 . A W . 7 GLU HG3 1 1 4 2290 1 1 7 GLU N N -9.990 -4.905 -3.142 1.00 . A W . 7 GLU N 1 1 4 2291 1 1 7 GLU O O -8.397 -2.386 -1.923 1.00 . A W . 7 GLU O 1 1 4 2292 1 1 7 GLU OE1 O -13.728 -2.419 -3.253 1.00 . A W . 7 GLU OE1 1 1 4 2293 1 1 7 GLU OE2 O -13.458 -4.516 -3.828 1.00 . A W . 7 GLU OE2 1 1 4 2294 1 1 8 TRP C C -6.864 -0.860 -5.143 1.00 . A W . 8 TRP C 1 1 4 2295 1 1 8 TRP CA C -6.930 -2.099 -4.261 1.00 . A W . 8 TRP CA 1 1 4 2296 1 1 8 TRP CB C -6.032 -3.184 -4.884 1.00 . A W . 8 TRP CB 1 1 4 2297 1 1 8 TRP CD1 C -6.230 -5.733 -4.614 1.00 . A W . 8 TRP CD1 1 1 4 2298 1 1 8 TRP CD2 C -5.757 -4.624 -2.741 1.00 . A W . 8 TRP CD2 1 1 4 2299 1 1 8 TRP CE2 C -5.838 -5.993 -2.435 1.00 . A W . 8 TRP CE2 1 1 4 2300 1 1 8 TRP CE3 C -5.470 -3.722 -1.733 1.00 . A W . 8 TRP CE3 1 1 4 2301 1 1 8 TRP CG C -6.007 -4.477 -4.128 1.00 . A W . 8 TRP CG 1 1 4 2302 1 1 8 TRP CH2 C -5.377 -5.558 -0.166 1.00 . A W . 8 TRP CH2 1 1 4 2303 1 1 8 TRP CZ2 C -5.643 -6.475 -1.143 1.00 . A W . 8 TRP CZ2 1 1 4 2304 1 1 8 TRP CZ3 C -5.288 -4.199 -0.458 1.00 . A W . 8 TRP CZ3 1 1 4 2305 1 1 8 TRP H H -8.793 -2.802 -4.979 1.00 . A W . 8 TRP H 1 1 4 2306 1 1 8 TRP HA H -6.574 -1.864 -3.263 1.00 . A W . 8 TRP HA 1 1 4 2307 1 1 8 TRP HB2 H -6.385 -3.392 -5.884 1.00 . A W . 8 TRP HB2 1 1 4 2308 1 1 8 TRP HB3 H -5.021 -2.808 -4.938 1.00 . A W . 8 TRP HB3 1 1 4 2309 1 1 8 TRP HD1 H -6.444 -5.956 -5.648 1.00 . A W . 8 TRP HD1 1 1 4 2310 1 1 8 TRP HE1 H -6.234 -7.629 -3.692 1.00 . A W . 8 TRP HE1 1 1 4 2311 1 1 8 TRP HE3 H -5.379 -2.661 -1.945 1.00 . A W . 8 TRP HE3 1 1 4 2312 1 1 8 TRP HH2 H -5.222 -5.871 0.861 1.00 . A W . 8 TRP HH2 1 1 4 2313 1 1 8 TRP HZ2 H -5.713 -7.525 -0.908 1.00 . A W . 8 TRP HZ2 1 1 4 2314 1 1 8 TRP HZ3 H -5.102 -3.507 0.349 1.00 . A W . 8 TRP HZ3 1 1 4 2315 1 1 8 TRP N N -8.297 -2.585 -4.158 1.00 . A W . 8 TRP N 1 1 4 2316 1 1 8 TRP NE1 N -6.118 -6.656 -3.600 1.00 . A W . 8 TRP NE1 1 1 4 2317 1 1 8 TRP O O -7.078 -0.941 -6.358 1.00 . A W . 8 TRP O 1 1 4 2318 1 1 9 THR C C -4.956 1.802 -5.551 1.00 . A W . 9 THR C 1 1 4 2319 1 1 9 THR CA C -6.405 1.492 -5.329 1.00 . A W . 9 THR CA 1 1 4 2320 1 1 9 THR CB C -7.107 2.728 -4.708 1.00 . A W . 9 THR CB 1 1 4 2321 1 1 9 THR CG2 C -6.982 2.734 -3.193 1.00 . A W . 9 THR CG2 1 1 4 2322 1 1 9 THR H H -6.477 0.314 -3.575 1.00 . A W . 9 THR H 1 1 4 2323 1 1 9 THR HA H -6.859 1.312 -6.295 1.00 . A W . 9 THR HA 1 1 4 2324 1 1 9 THR HB H -8.117 2.656 -4.979 1.00 . A W . 9 THR HB 1 1 4 2325 1 1 9 THR HG1 H -5.793 4.203 -4.836 1.00 . A W . 9 THR HG1 1 1 4 2326 1 1 9 THR HG21 H -7.470 3.610 -2.791 1.00 . A W . 9 THR HG21 1 1 4 2327 1 1 9 THR HG22 H -5.930 2.752 -2.917 1.00 . A W . 9 THR HG22 1 1 4 2328 1 1 9 THR HG23 H -7.446 1.849 -2.788 1.00 . A W . 9 THR HG23 1 1 4 2329 1 1 9 THR N N -6.576 0.283 -4.548 1.00 . A W . 9 THR N 1 1 4 2330 1 1 9 THR O O -4.048 1.194 -4.981 1.00 . A W . 9 THR O 1 1 4 2331 1 1 9 THR OG1 O -6.638 3.978 -5.241 1.00 . A W . 9 THR OG1 1 1 4 2332 1 1 10 GLU C C -3.229 4.625 -6.152 1.00 . A W . 10 GLU C 1 1 4 2333 1 1 10 GLU CA C -3.499 3.267 -6.777 1.00 . A W . 10 GLU CA 1 1 4 2334 1 1 10 GLU CB C -3.439 3.323 -8.300 1.00 . A W . 10 GLU CB 1 1 4 2335 1 1 10 GLU CD C -4.702 3.849 -10.419 1.00 . A W . 10 GLU CD 1 1 4 2336 1 1 10 GLU CG C -4.558 4.133 -8.938 1.00 . A W . 10 GLU CG 1 1 4 2337 1 1 10 GLU H H -5.620 3.231 -6.700 1.00 . A W . 10 GLU H 1 1 4 2338 1 1 10 GLU HA H -2.757 2.566 -6.422 1.00 . A W . 10 GLU HA 1 1 4 2339 1 1 10 GLU HB2 H -2.491 3.748 -8.605 1.00 . A W . 10 GLU HB2 1 1 4 2340 1 1 10 GLU HB3 H -3.508 2.319 -8.665 1.00 . A W . 10 GLU HB3 1 1 4 2341 1 1 10 GLU HG2 H -5.489 3.889 -8.445 1.00 . A W . 10 GLU HG2 1 1 4 2342 1 1 10 GLU HG3 H -4.349 5.185 -8.805 1.00 . A W . 10 GLU HG3 1 1 4 2343 1 1 10 GLU N N -4.792 2.781 -6.372 1.00 . A W . 10 GLU N 1 1 4 2344 1 1 10 GLU O O -3.988 5.575 -6.336 1.00 . A W . 10 GLU O 1 1 4 2345 1 1 10 GLU OE1 O -3.926 4.407 -11.221 1.00 . A W . 10 GLU OE1 1 1 4 2346 1 1 10 GLU OE2 O -5.594 3.051 -10.788 1.00 . A W . 10 GLU OE2 1 1 4 2347 1 1 11 TYR C C -0.369 6.295 -5.030 1.00 . A W . 11 TYR C 1 1 4 2348 1 1 11 TYR CA C -1.798 5.912 -4.690 1.00 . A W . 11 TYR CA 1 1 4 2349 1 1 11 TYR CB C -1.958 5.756 -3.178 1.00 . A W . 11 TYR CB 1 1 4 2350 1 1 11 TYR CD1 C -4.474 5.669 -2.916 1.00 . A W . 11 TYR CD1 1 1 4 2351 1 1 11 TYR CD2 C -3.286 7.443 -1.853 1.00 . A W . 11 TYR CD2 1 1 4 2352 1 1 11 TYR CE1 C -5.664 6.164 -2.420 1.00 . A W . 11 TYR CE1 1 1 4 2353 1 1 11 TYR CE2 C -4.473 7.941 -1.352 1.00 . A W . 11 TYR CE2 1 1 4 2354 1 1 11 TYR CG C -3.264 6.297 -2.640 1.00 . A W . 11 TYR CG 1 1 4 2355 1 1 11 TYR CZ C -5.656 7.300 -1.640 1.00 . A W . 11 TYR CZ 1 1 4 2356 1 1 11 TYR H H -1.613 3.887 -5.254 1.00 . A W . 11 TYR H 1 1 4 2357 1 1 11 TYR HA H -2.458 6.697 -5.028 1.00 . A W . 11 TYR HA 1 1 4 2358 1 1 11 TYR HB2 H -1.909 4.707 -2.926 1.00 . A W . 11 TYR HB2 1 1 4 2359 1 1 11 TYR HB3 H -1.149 6.277 -2.681 1.00 . A W . 11 TYR HB3 1 1 4 2360 1 1 11 TYR HD1 H -4.477 4.779 -3.530 1.00 . A W . 11 TYR HD1 1 1 4 2361 1 1 11 TYR HD2 H -2.357 7.948 -1.633 1.00 . A W . 11 TYR HD2 1 1 4 2362 1 1 11 TYR HE1 H -6.592 5.657 -2.642 1.00 . A W . 11 TYR HE1 1 1 4 2363 1 1 11 TYR HE2 H -4.468 8.831 -0.740 1.00 . A W . 11 TYR HE2 1 1 4 2364 1 1 11 TYR HH H -7.389 7.070 -0.831 1.00 . A W . 11 TYR HH 1 1 4 2365 1 1 11 TYR N N -2.172 4.688 -5.371 1.00 . A W . 11 TYR N 1 1 4 2366 1 1 11 TYR O O 0.586 5.678 -4.561 1.00 . A W . 11 TYR O 1 1 4 2367 1 1 11 TYR OH O -6.840 7.795 -1.144 1.00 . A W . 11 TYR OH 1 1 4 2368 1 1 12 LYS C C 1.546 8.844 -5.282 1.00 . A W . 12 LYS C 1 1 4 2369 1 1 12 LYS CA C 1.069 7.792 -6.269 1.00 . A W . 12 LYS CA 1 1 4 2370 1 1 12 LYS CB C 1.002 8.381 -7.681 1.00 . A W . 12 LYS CB 1 1 4 2371 1 1 12 LYS CD C 2.205 9.503 -9.577 1.00 . A W . 12 LYS CD 1 1 4 2372 1 1 12 LYS CE C 1.617 8.561 -10.616 1.00 . A W . 12 LYS CE 1 1 4 2373 1 1 12 LYS CG C 2.348 8.830 -8.225 1.00 . A W . 12 LYS CG 1 1 4 2374 1 1 12 LYS H H -1.033 7.740 -6.224 1.00 . A W . 12 LYS H 1 1 4 2375 1 1 12 LYS HA H 1.760 6.959 -6.259 1.00 . A W . 12 LYS HA 1 1 4 2376 1 1 12 LYS HB2 H 0.598 7.635 -8.354 1.00 . A W . 12 LYS HB2 1 1 4 2377 1 1 12 LYS HB3 H 0.341 9.237 -7.670 1.00 . A W . 12 LYS HB3 1 1 4 2378 1 1 12 LYS HD2 H 1.561 10.364 -9.476 1.00 . A W . 12 LYS HD2 1 1 4 2379 1 1 12 LYS HD3 H 3.181 9.820 -9.909 1.00 . A W . 12 LYS HD3 1 1 4 2380 1 1 12 LYS HE2 H 2.327 8.448 -11.419 1.00 . A W . 12 LYS HE2 1 1 4 2381 1 1 12 LYS HE3 H 1.445 7.598 -10.151 1.00 . A W . 12 LYS HE3 1 1 4 2382 1 1 12 LYS HG2 H 2.795 9.525 -7.529 1.00 . A W . 12 LYS HG2 1 1 4 2383 1 1 12 LYS HG3 H 2.989 7.966 -8.333 1.00 . A W . 12 LYS HG3 1 1 4 2384 1 1 12 LYS HZ1 H -0.402 9.061 -10.434 1.00 . A W . 12 LYS HZ1 1 1 4 2385 1 1 12 LYS HZ2 H 0.017 8.450 -11.958 1.00 . A W . 12 LYS HZ2 1 1 4 2386 1 1 12 LYS HZ3 H 0.445 10.037 -11.531 1.00 . A W . 12 LYS HZ3 1 1 4 2387 1 1 12 LYS N N -0.233 7.305 -5.867 1.00 . A W . 12 LYS N 1 1 4 2388 1 1 12 LYS NZ N 0.333 9.064 -11.175 1.00 . A W . 12 LYS NZ 1 1 4 2389 1 1 12 LYS O O 0.927 9.899 -5.140 1.00 . A W . 12 LYS O 1 1 4 2390 1 1 13 THR C C 4.045 10.506 -4.344 1.00 . A W . 13 THR C 1 1 4 2391 1 1 13 THR CA C 3.197 9.461 -3.632 1.00 . A W . 13 THR CA 1 1 4 2392 1 1 13 THR CB C 4.044 8.716 -2.592 1.00 . A W . 13 THR CB 1 1 4 2393 1 1 13 THR CG2 C 3.151 7.983 -1.601 1.00 . A W . 13 THR CG2 1 1 4 2394 1 1 13 THR H H 3.040 7.659 -4.713 1.00 . A W . 13 THR H 1 1 4 2395 1 1 13 THR HA H 2.388 9.958 -3.119 1.00 . A W . 13 THR HA 1 1 4 2396 1 1 13 THR HB H 4.643 9.434 -2.052 1.00 . A W . 13 THR HB 1 1 4 2397 1 1 13 THR HG1 H 4.463 6.933 -3.329 1.00 . A W . 13 THR HG1 1 1 4 2398 1 1 13 THR HG21 H 3.766 7.438 -0.898 1.00 . A W . 13 THR HG21 1 1 4 2399 1 1 13 THR HG22 H 2.514 7.295 -2.133 1.00 . A W . 13 THR HG22 1 1 4 2400 1 1 13 THR HG23 H 2.541 8.697 -1.066 1.00 . A W . 13 THR HG23 1 1 4 2401 1 1 13 THR N N 2.620 8.536 -4.582 1.00 . A W . 13 THR N 1 1 4 2402 1 1 13 THR O O 4.334 10.374 -5.534 1.00 . A W . 13 THR O 1 1 4 2403 1 1 13 THR OG1 O 4.909 7.781 -3.255 1.00 . A W . 13 THR OG1 1 1 4 2404 1 1 14 ALA C C 6.548 12.212 -4.748 1.00 . A W . 14 ALA C 1 1 4 2405 1 1 14 ALA CA C 5.201 12.651 -4.177 1.00 . A W . 14 ALA CA 1 1 4 2406 1 1 14 ALA CB C 5.400 13.737 -3.133 1.00 . A W . 14 ALA CB 1 1 4 2407 1 1 14 ALA H H 4.276 11.530 -2.642 1.00 . A W . 14 ALA H 1 1 4 2408 1 1 14 ALA HA H 4.602 13.062 -4.978 1.00 . A W . 14 ALA HA 1 1 4 2409 1 1 14 ALA HB1 H 6.042 13.368 -2.348 1.00 . A W . 14 ALA HB1 1 1 4 2410 1 1 14 ALA HB2 H 4.446 14.019 -2.715 1.00 . A W . 14 ALA HB2 1 1 4 2411 1 1 14 ALA HB3 H 5.859 14.598 -3.597 1.00 . A W . 14 ALA HB3 1 1 4 2412 1 1 14 ALA N N 4.464 11.528 -3.602 1.00 . A W . 14 ALA N 1 1 4 2413 1 1 14 ALA O O 7.165 12.936 -5.525 1.00 . A W . 14 ALA O 1 1 4 2414 1 1 15 ASP C C 8.102 9.775 -6.158 1.00 . A W . 15 ASP C 1 1 4 2415 1 1 15 ASP CA C 8.268 10.494 -4.824 1.00 . A W . 15 ASP CA 1 1 4 2416 1 1 15 ASP CB C 8.839 9.537 -3.783 1.00 . A W . 15 ASP CB 1 1 4 2417 1 1 15 ASP CG C 9.244 10.248 -2.505 1.00 . A W . 15 ASP CG 1 1 4 2418 1 1 15 ASP H H 6.467 10.506 -3.718 1.00 . A W . 15 ASP H 1 1 4 2419 1 1 15 ASP HA H 8.948 11.322 -4.955 1.00 . A W . 15 ASP HA 1 1 4 2420 1 1 15 ASP HB2 H 8.091 8.799 -3.539 1.00 . A W . 15 ASP HB2 1 1 4 2421 1 1 15 ASP HB3 H 9.708 9.044 -4.193 1.00 . A W . 15 ASP HB3 1 1 4 2422 1 1 15 ASP N N 6.999 11.031 -4.352 1.00 . A W . 15 ASP N 1 1 4 2423 1 1 15 ASP O O 9.066 9.245 -6.712 1.00 . A W . 15 ASP O 1 1 4 2424 1 1 15 ASP OD1 O 10.383 10.754 -2.435 1.00 . A W . 15 ASP OD1 1 1 4 2425 1 1 15 ASP OD2 O 8.426 10.303 -1.560 1.00 . A W . 15 ASP OD2 1 1 4 2426 1 1 16 GLY C C 6.506 7.565 -7.714 1.00 . A W . 16 GLY C 1 1 4 2427 1 1 16 GLY CA C 6.598 9.063 -7.912 1.00 . A W . 16 GLY CA 1 1 4 2428 1 1 16 GLY H H 6.146 10.215 -6.198 1.00 . A W . 16 GLY H 1 1 4 2429 1 1 16 GLY HA2 H 5.657 9.424 -8.306 1.00 . A W . 16 GLY HA2 1 1 4 2430 1 1 16 GLY HA3 H 7.383 9.277 -8.617 1.00 . A W . 16 GLY HA3 1 1 4 2431 1 1 16 GLY N N 6.876 9.752 -6.668 1.00 . A W . 16 GLY N 1 1 4 2432 1 1 16 GLY O O 6.777 6.785 -8.628 1.00 . A W . 16 GLY O 1 1 4 2433 1 1 17 LYS C C 4.566 5.356 -6.071 1.00 . A W . 17 LYS C 1 1 4 2434 1 1 17 LYS CA C 6.038 5.760 -6.159 1.00 . A W . 17 LYS CA 1 1 4 2435 1 1 17 LYS CB C 6.744 5.507 -4.818 1.00 . A W . 17 LYS CB 1 1 4 2436 1 1 17 LYS CD C 7.433 3.116 -5.255 1.00 . A W . 17 LYS CD 1 1 4 2437 1 1 17 LYS CE C 7.466 1.692 -4.712 1.00 . A W . 17 LYS CE 1 1 4 2438 1 1 17 LYS CG C 6.698 4.065 -4.322 1.00 . A W . 17 LYS CG 1 1 4 2439 1 1 17 LYS H H 5.949 7.842 -5.823 1.00 . A W . 17 LYS H 1 1 4 2440 1 1 17 LYS HA H 6.520 5.184 -6.935 1.00 . A W . 17 LYS HA 1 1 4 2441 1 1 17 LYS HB2 H 7.780 5.789 -4.918 1.00 . A W . 17 LYS HB2 1 1 4 2442 1 1 17 LYS HB3 H 6.285 6.135 -4.067 1.00 . A W . 17 LYS HB3 1 1 4 2443 1 1 17 LYS HD2 H 6.937 3.112 -6.213 1.00 . A W . 17 LYS HD2 1 1 4 2444 1 1 17 LYS HD3 H 8.447 3.463 -5.378 1.00 . A W . 17 LYS HD3 1 1 4 2445 1 1 17 LYS HE2 H 6.463 1.399 -4.443 1.00 . A W . 17 LYS HE2 1 1 4 2446 1 1 17 LYS HE3 H 7.837 1.035 -5.487 1.00 . A W . 17 LYS HE3 1 1 4 2447 1 1 17 LYS HG2 H 7.160 4.019 -3.347 1.00 . A W . 17 LYS HG2 1 1 4 2448 1 1 17 LYS HG3 H 5.666 3.755 -4.245 1.00 . A W . 17 LYS HG3 1 1 4 2449 1 1 17 LYS HZ1 H 8.245 0.614 -3.096 1.00 . A W . 17 LYS HZ1 1 1 4 2450 1 1 17 LYS HZ2 H 8.077 2.274 -2.792 1.00 . A W . 17 LYS HZ2 1 1 4 2451 1 1 17 LYS HZ3 H 9.337 1.722 -3.775 1.00 . A W . 17 LYS HZ3 1 1 4 2452 1 1 17 LYS N N 6.147 7.167 -6.506 1.00 . A W . 17 LYS N 1 1 4 2453 1 1 17 LYS NZ N 8.338 1.567 -3.511 1.00 . A W . 17 LYS NZ 1 1 4 2454 1 1 17 LYS O O 3.792 5.964 -5.325 1.00 . A W . 17 LYS O 1 1 4 2455 1 1 18 THR C C 2.657 2.815 -5.704 1.00 . A W . 18 THR C 1 1 4 2456 1 1 18 THR CA C 2.826 3.835 -6.817 1.00 . A W . 18 THR CA 1 1 4 2457 1 1 18 THR CB C 2.464 3.173 -8.167 1.00 . A W . 18 THR CB 1 1 4 2458 1 1 18 THR CG2 C 1.070 2.559 -8.119 1.00 . A W . 18 THR CG2 1 1 4 2459 1 1 18 THR H H 4.849 3.892 -7.397 1.00 . A W . 18 THR H 1 1 4 2460 1 1 18 THR HA H 2.158 4.668 -6.647 1.00 . A W . 18 THR HA 1 1 4 2461 1 1 18 THR HB H 3.177 2.385 -8.357 1.00 . A W . 18 THR HB 1 1 4 2462 1 1 18 THR HG1 H 2.880 3.701 -10.032 1.00 . A W . 18 THR HG1 1 1 4 2463 1 1 18 THR HG21 H 0.799 2.194 -9.099 1.00 . A W . 18 THR HG21 1 1 4 2464 1 1 18 THR HG22 H 0.357 3.310 -7.803 1.00 . A W . 18 THR HG22 1 1 4 2465 1 1 18 THR HG23 H 1.067 1.731 -7.417 1.00 . A W . 18 THR HG23 1 1 4 2466 1 1 18 THR N N 4.192 4.331 -6.824 1.00 . A W . 18 THR N 1 1 4 2467 1 1 18 THR O O 3.180 1.702 -5.787 1.00 . A W . 18 THR O 1 1 4 2468 1 1 18 THR OG1 O 2.543 4.134 -9.234 1.00 . A W . 18 THR OG1 1 1 4 2469 1 1 19 TYR C C 0.184 2.001 -3.576 1.00 . A W . 19 TYR C 1 1 4 2470 1 1 19 TYR CA C 1.667 2.303 -3.565 1.00 . A W . 19 TYR CA 1 1 4 2471 1 1 19 TYR CB C 2.147 2.860 -2.214 1.00 . A W . 19 TYR CB 1 1 4 2472 1 1 19 TYR CD1 C 0.387 2.853 -0.382 1.00 . A W . 19 TYR CD1 1 1 4 2473 1 1 19 TYR CD2 C 0.957 4.934 -1.385 1.00 . A W . 19 TYR CD2 1 1 4 2474 1 1 19 TYR CE1 C -0.483 3.485 0.477 1.00 . A W . 19 TYR CE1 1 1 4 2475 1 1 19 TYR CE2 C 0.079 5.578 -0.533 1.00 . A W . 19 TYR CE2 1 1 4 2476 1 1 19 TYR CG C 1.122 3.560 -1.332 1.00 . A W . 19 TYR CG 1 1 4 2477 1 1 19 TYR CZ C -0.633 4.853 0.399 1.00 . A W . 19 TYR CZ 1 1 4 2478 1 1 19 TYR H H 1.653 4.144 -4.593 1.00 . A W . 19 TYR H 1 1 4 2479 1 1 19 TYR HA H 2.201 1.381 -3.758 1.00 . A W . 19 TYR HA 1 1 4 2480 1 1 19 TYR HB2 H 2.543 2.041 -1.635 1.00 . A W . 19 TYR HB2 1 1 4 2481 1 1 19 TYR HB3 H 2.947 3.563 -2.400 1.00 . A W . 19 TYR HB3 1 1 4 2482 1 1 19 TYR HD1 H 0.492 1.780 -0.327 1.00 . A W . 19 TYR HD1 1 1 4 2483 1 1 19 TYR HD2 H 1.509 5.500 -2.122 1.00 . A W . 19 TYR HD2 1 1 4 2484 1 1 19 TYR HE1 H -1.036 2.904 1.209 1.00 . A W . 19 TYR HE1 1 1 4 2485 1 1 19 TYR HE2 H -0.029 6.645 -0.587 1.00 . A W . 19 TYR HE2 1 1 4 2486 1 1 19 TYR HH H -1.380 5.137 2.144 1.00 . A W . 19 TYR HH 1 1 4 2487 1 1 19 TYR N N 1.973 3.216 -4.645 1.00 . A W . 19 TYR N 1 1 4 2488 1 1 19 TYR O O -0.594 2.698 -4.234 1.00 . A W . 19 TYR O 1 1 4 2489 1 1 19 TYR OH O -1.491 5.495 1.257 1.00 . A W . 19 TYR OH 1 1 4 2490 1 1 20 TYR C C -2.220 0.863 -1.550 1.00 . A W . 20 TYR C 1 1 4 2491 1 1 20 TYR CA C -1.590 0.541 -2.883 1.00 . A W . 20 TYR CA 1 1 4 2492 1 1 20 TYR CB C -1.721 -0.955 -3.171 1.00 . A W . 20 TYR CB 1 1 4 2493 1 1 20 TYR CD1 C 0.274 -1.464 -4.650 1.00 . A W . 20 TYR CD1 1 1 4 2494 1 1 20 TYR CD2 C -1.914 -1.644 -5.574 1.00 . A W . 20 TYR CD2 1 1 4 2495 1 1 20 TYR CE1 C 0.828 -1.817 -5.859 1.00 . A W . 20 TYR CE1 1 1 4 2496 1 1 20 TYR CE2 C -1.366 -2.007 -6.792 1.00 . A W . 20 TYR CE2 1 1 4 2497 1 1 20 TYR CG C -1.107 -1.369 -4.488 1.00 . A W . 20 TYR CG 1 1 4 2498 1 1 20 TYR CZ C 0.004 -2.089 -6.931 1.00 . A W . 20 TYR CZ 1 1 4 2499 1 1 20 TYR H H 0.449 0.462 -2.342 1.00 . A W . 20 TYR H 1 1 4 2500 1 1 20 TYR HA H -2.107 1.095 -3.656 1.00 . A W . 20 TYR HA 1 1 4 2501 1 1 20 TYR HB2 H -1.244 -1.517 -2.383 1.00 . A W . 20 TYR HB2 1 1 4 2502 1 1 20 TYR HB3 H -2.770 -1.216 -3.199 1.00 . A W . 20 TYR HB3 1 1 4 2503 1 1 20 TYR HD1 H 0.922 -1.263 -3.808 1.00 . A W . 20 TYR HD1 1 1 4 2504 1 1 20 TYR HD2 H -2.990 -1.585 -5.453 1.00 . A W . 20 TYR HD2 1 1 4 2505 1 1 20 TYR HE1 H 1.909 -1.884 -5.955 1.00 . A W . 20 TYR HE1 1 1 4 2506 1 1 20 TYR HE2 H -2.008 -2.217 -7.627 1.00 . A W . 20 TYR HE2 1 1 4 2507 1 1 20 TYR HH H 0.104 -1.971 -8.848 1.00 . A W . 20 TYR HH 1 1 4 2508 1 1 20 TYR N N -0.208 0.958 -2.886 1.00 . A W . 20 TYR N 1 1 4 2509 1 1 20 TYR O O -1.609 0.686 -0.490 1.00 . A W . 20 TYR O 1 1 4 2510 1 1 20 TYR OH O 0.550 -2.447 -8.143 1.00 . A W . 20 TYR OH 1 1 4 2511 1 1 21 TYR C C -5.307 0.743 -0.235 1.00 . A W . 21 TYR C 1 1 4 2512 1 1 21 TYR CA C -4.140 1.673 -0.402 1.00 . A W . 21 TYR CA 1 1 4 2513 1 1 21 TYR CB C -4.611 3.129 -0.465 1.00 . A W . 21 TYR CB 1 1 4 2514 1 1 21 TYR CD1 C -4.221 4.144 1.812 1.00 . A W . 21 TYR CD1 1 1 4 2515 1 1 21 TYR CD2 C -6.469 3.701 1.147 1.00 . A W . 21 TYR CD2 1 1 4 2516 1 1 21 TYR CE1 C -4.672 4.643 3.017 1.00 . A W . 21 TYR CE1 1 1 4 2517 1 1 21 TYR CE2 C -6.925 4.203 2.348 1.00 . A W . 21 TYR CE2 1 1 4 2518 1 1 21 TYR CG C -5.110 3.664 0.857 1.00 . A W . 21 TYR CG 1 1 4 2519 1 1 21 TYR CZ C -6.024 4.673 3.279 1.00 . A W . 21 TYR CZ 1 1 4 2520 1 1 21 TYR H H -3.917 1.335 -2.456 1.00 . A W . 21 TYR H 1 1 4 2521 1 1 21 TYR HA H -3.463 1.547 0.430 1.00 . A W . 21 TYR HA 1 1 4 2522 1 1 21 TYR HB2 H -3.796 3.755 -0.791 1.00 . A W . 21 TYR HB2 1 1 4 2523 1 1 21 TYR HB3 H -5.424 3.205 -1.177 1.00 . A W . 21 TYR HB3 1 1 4 2524 1 1 21 TYR HD1 H -3.158 4.117 1.606 1.00 . A W . 21 TYR HD1 1 1 4 2525 1 1 21 TYR HD2 H -7.174 3.330 0.418 1.00 . A W . 21 TYR HD2 1 1 4 2526 1 1 21 TYR HE1 H -3.966 5.012 3.745 1.00 . A W . 21 TYR HE1 1 1 4 2527 1 1 21 TYR HE2 H -7.985 4.223 2.558 1.00 . A W . 21 TYR HE2 1 1 4 2528 1 1 21 TYR HH H -7.137 4.583 4.847 1.00 . A W . 21 TYR HH 1 1 4 2529 1 1 21 TYR N N -3.455 1.287 -1.596 1.00 . A W . 21 TYR N 1 1 4 2530 1 1 21 TYR O O -6.358 0.907 -0.849 1.00 . A W . 21 TYR O 1 1 4 2531 1 1 21 TYR OH O -6.481 5.181 4.475 1.00 . A W . 21 TYR OH 1 1 4 2532 1 1 22 ASN C C -7.304 -0.742 1.312 1.00 . A W . 22 ASN C 1 1 4 2533 1 1 22 ASN CA C -5.989 -1.331 0.842 1.00 . A W . 22 ASN CA 1 1 4 2534 1 1 22 ASN CB C -5.346 -2.262 1.896 1.00 . A W . 22 ASN CB 1 1 4 2535 1 1 22 ASN CG C -6.284 -3.224 2.618 1.00 . A W . 22 ASN CG 1 1 4 2536 1 1 22 ASN H H -4.155 -0.324 0.960 1.00 . A W . 22 ASN H 1 1 4 2537 1 1 22 ASN HA H -6.164 -1.892 -0.070 1.00 . A W . 22 ASN HA 1 1 4 2538 1 1 22 ASN HB2 H -4.589 -2.856 1.407 1.00 . A W . 22 ASN HB2 1 1 4 2539 1 1 22 ASN HB3 H -4.865 -1.645 2.642 1.00 . A W . 22 ASN HB3 1 1 4 2540 1 1 22 ASN HD21 H -4.925 -4.680 2.484 1.00 . A W . 22 ASN HD21 1 1 4 2541 1 1 22 ASN HD22 H -6.407 -5.091 3.283 1.00 . A W . 22 ASN HD22 1 1 4 2542 1 1 22 ASN N N -5.042 -0.280 0.545 1.00 . A W . 22 ASN N 1 1 4 2543 1 1 22 ASN ND2 N -5.836 -4.456 2.812 1.00 . A W . 22 ASN ND2 1 1 4 2544 1 1 22 ASN O O -7.404 -0.175 2.400 1.00 . A W . 22 ASN O 1 1 4 2545 1 1 22 ASN OD1 O -7.375 -2.866 3.028 1.00 . A W . 22 ASN OD1 1 1 4 2546 1 1 23 ASN C C -10.378 -1.665 1.376 1.00 . A W . 23 ASN C 1 1 4 2547 1 1 23 ASN CA C -9.649 -0.450 0.806 1.00 . A W . 23 ASN CA 1 1 4 2548 1 1 23 ASN CB C -10.369 0.102 -0.432 1.00 . A W . 23 ASN CB 1 1 4 2549 1 1 23 ASN CG C -11.690 0.789 -0.111 1.00 . A W . 23 ASN CG 1 1 4 2550 1 1 23 ASN H H -8.128 -1.212 -0.445 1.00 . A W . 23 ASN H 1 1 4 2551 1 1 23 ASN HA H -9.585 0.322 1.562 1.00 . A W . 23 ASN HA 1 1 4 2552 1 1 23 ASN HB2 H -9.725 0.819 -0.920 1.00 . A W . 23 ASN HB2 1 1 4 2553 1 1 23 ASN HB3 H -10.567 -0.713 -1.112 1.00 . A W . 23 ASN HB3 1 1 4 2554 1 1 23 ASN HD21 H -12.378 0.332 -1.924 1.00 . A W . 23 ASN HD21 1 1 4 2555 1 1 23 ASN HD22 H -13.465 1.211 -0.896 1.00 . A W . 23 ASN HD22 1 1 4 2556 1 1 23 ASN N N -8.303 -0.854 0.458 1.00 . A W . 23 ASN N 1 1 4 2557 1 1 23 ASN ND2 N -12.603 0.778 -1.067 1.00 . A W . 23 ASN ND2 1 1 4 2558 1 1 23 ASN O O -11.577 -1.630 1.652 1.00 . A W . 23 ASN O 1 1 4 2559 1 1 23 ASN OD1 O -11.881 1.338 0.977 1.00 . A W . 23 ASN OD1 1 1 4 2560 1 1 24 ARG C C -10.543 -3.692 3.584 1.00 . A W . 24 ARG C 1 1 4 2561 1 1 24 ARG CA C -10.129 -3.972 2.139 1.00 . A W . 24 ARG CA 1 1 4 2562 1 1 24 ARG CB C -9.062 -5.079 2.097 1.00 . A W . 24 ARG CB 1 1 4 2563 1 1 24 ARG CD C -9.824 -6.936 3.688 1.00 . A W . 24 ARG CD 1 1 4 2564 1 1 24 ARG CG C -9.593 -6.511 2.237 1.00 . A W . 24 ARG CG 1 1 4 2565 1 1 24 ARG CZ C -11.513 -6.642 5.480 1.00 . A W . 24 ARG CZ 1 1 4 2566 1 1 24 ARG H H -8.685 -2.717 1.254 1.00 . A W . 24 ARG H 1 1 4 2567 1 1 24 ARG HA H -10.971 -4.283 1.565 1.00 . A W . 24 ARG HA 1 1 4 2568 1 1 24 ARG HB2 H -8.537 -5.011 1.158 1.00 . A W . 24 ARG HB2 1 1 4 2569 1 1 24 ARG HB3 H -8.356 -4.904 2.900 1.00 . A W . 24 ARG HB3 1 1 4 2570 1 1 24 ARG HD2 H -9.780 -8.013 3.744 1.00 . A W . 24 ARG HD2 1 1 4 2571 1 1 24 ARG HD3 H -9.040 -6.514 4.298 1.00 . A W . 24 ARG HD3 1 1 4 2572 1 1 24 ARG HE H -11.732 -6.057 3.574 1.00 . A W . 24 ARG HE 1 1 4 2573 1 1 24 ARG HG2 H -10.530 -6.582 1.705 1.00 . A W . 24 ARG HG2 1 1 4 2574 1 1 24 ARG HG3 H -8.878 -7.187 1.784 1.00 . A W . 24 ARG HG3 1 1 4 2575 1 1 24 ARG HH11 H -9.827 -7.605 6.092 1.00 . A W . 24 ARG HH11 1 1 4 2576 1 1 24 ARG HH12 H -11.034 -7.354 7.317 1.00 . A W . 24 ARG HH12 1 1 4 2577 1 1 24 ARG HH21 H -13.318 -5.742 5.210 1.00 . A W . 24 ARG HH21 1 1 4 2578 1 1 24 ARG HH22 H -12.991 -6.297 6.829 1.00 . A W . 24 ARG HH22 1 1 4 2579 1 1 24 ARG N N -9.619 -2.750 1.541 1.00 . A W . 24 ARG N 1 1 4 2580 1 1 24 ARG NE N -11.121 -6.494 4.209 1.00 . A W . 24 ARG NE 1 1 4 2581 1 1 24 ARG NH1 N -10.729 -7.247 6.367 1.00 . A W . 24 ARG NH1 1 1 4 2582 1 1 24 ARG NH2 N -12.702 -6.192 5.866 1.00 . A W . 24 ARG NH2 1 1 4 2583 1 1 24 ARG O O -11.718 -3.764 3.946 1.00 . A W . 24 ARG O 1 1 4 2584 1 1 25 THR C C -9.030 -1.775 6.177 1.00 . A W . 25 THR C 1 1 4 2585 1 1 25 THR CA C -9.730 -3.085 5.806 1.00 . A W . 25 THR CA 1 1 4 2586 1 1 25 THR CB C -9.171 -4.251 6.645 1.00 . A W . 25 THR CB 1 1 4 2587 1 1 25 THR CG2 C -7.694 -4.373 6.408 1.00 . A W . 25 THR CG2 1 1 4 2588 1 1 25 THR H H -8.643 -3.269 4.011 1.00 . A W . 25 THR H 1 1 4 2589 1 1 25 THR HA H -10.769 -3.000 6.002 1.00 . A W . 25 THR HA 1 1 4 2590 1 1 25 THR HB H -9.646 -5.169 6.323 1.00 . A W . 25 THR HB 1 1 4 2591 1 1 25 THR HG1 H -9.336 -3.114 8.256 1.00 . A W . 25 THR HG1 1 1 4 2592 1 1 25 THR HG21 H -7.527 -4.578 5.366 1.00 . A W . 25 THR HG21 1 1 4 2593 1 1 25 THR HG22 H -7.291 -5.172 7.011 1.00 . A W . 25 THR HG22 1 1 4 2594 1 1 25 THR HG23 H -7.225 -3.441 6.673 1.00 . A W . 25 THR HG23 1 1 4 2595 1 1 25 THR N N -9.549 -3.351 4.392 1.00 . A W . 25 THR N 1 1 4 2596 1 1 25 THR O O -8.788 -1.487 7.353 1.00 . A W . 25 THR O 1 1 4 2597 1 1 25 THR OG1 O -9.422 -4.054 8.045 1.00 . A W . 25 THR OG1 1 1 4 2598 1 1 26 LEU C C -6.572 0.044 5.736 1.00 . A W . 26 LEU C 1 1 4 2599 1 1 26 LEU CA C -8.011 0.285 5.292 1.00 . A W . 26 LEU CA 1 1 4 2600 1 1 26 LEU CB C -8.740 1.265 6.222 1.00 . A W . 26 LEU CB 1 1 4 2601 1 1 26 LEU CD1 C -9.488 2.789 4.372 1.00 . A W . 26 LEU CD1 1 1 4 2602 1 1 26 LEU CD2 C -11.021 0.992 5.184 1.00 . A W . 26 LEU CD2 1 1 4 2603 1 1 26 LEU CG C -9.940 1.987 5.585 1.00 . A W . 26 LEU CG 1 1 4 2604 1 1 26 LEU H H -9.010 -1.258 4.245 1.00 . A W . 26 LEU H 1 1 4 2605 1 1 26 LEU HA H -7.974 0.726 4.303 1.00 . A W . 26 LEU HA 1 1 4 2606 1 1 26 LEU HB2 H -9.089 0.721 7.087 1.00 . A W . 26 LEU HB2 1 1 4 2607 1 1 26 LEU HB3 H -8.033 2.013 6.546 1.00 . A W . 26 LEU HB3 1 1 4 2608 1 1 26 LEU HD11 H -10.349 3.232 3.893 1.00 . A W . 26 LEU HD11 1 1 4 2609 1 1 26 LEU HD12 H -8.984 2.134 3.674 1.00 . A W . 26 LEU HD12 1 1 4 2610 1 1 26 LEU HD13 H -8.810 3.568 4.687 1.00 . A W . 26 LEU HD13 1 1 4 2611 1 1 26 LEU HD21 H -11.419 0.516 6.066 1.00 . A W . 26 LEU HD21 1 1 4 2612 1 1 26 LEU HD22 H -10.588 0.242 4.531 1.00 . A W . 26 LEU HD22 1 1 4 2613 1 1 26 LEU HD23 H -11.813 1.510 4.664 1.00 . A W . 26 LEU HD23 1 1 4 2614 1 1 26 LEU HG H -10.364 2.676 6.305 1.00 . A W . 26 LEU HG 1 1 4 2615 1 1 26 LEU N N -8.732 -0.982 5.144 1.00 . A W . 26 LEU N 1 1 4 2616 1 1 26 LEU O O -6.131 0.473 6.801 1.00 . A W . 26 LEU O 1 1 4 2617 1 1 27 GLU C C -3.623 -0.265 4.012 1.00 . A W . 27 GLU C 1 1 4 2618 1 1 27 GLU CA C -4.460 -0.985 5.072 1.00 . A W . 27 GLU CA 1 1 4 2619 1 1 27 GLU CB C -4.277 -2.513 4.997 1.00 . A W . 27 GLU CB 1 1 4 2620 1 1 27 GLU CD C -2.969 -4.479 4.087 1.00 . A W . 27 GLU CD 1 1 4 2621 1 1 27 GLU CG C -2.974 -2.985 4.357 1.00 . A W . 27 GLU CG 1 1 4 2622 1 1 27 GLU H H -6.320 -0.976 4.066 1.00 . A W . 27 GLU H 1 1 4 2623 1 1 27 GLU HA H -4.165 -0.637 6.050 1.00 . A W . 27 GLU HA 1 1 4 2624 1 1 27 GLU HB2 H -4.320 -2.912 5.998 1.00 . A W . 27 GLU HB2 1 1 4 2625 1 1 27 GLU HB3 H -5.098 -2.927 4.430 1.00 . A W . 27 GLU HB3 1 1 4 2626 1 1 27 GLU HG2 H -2.826 -2.451 3.423 1.00 . A W . 27 GLU HG2 1 1 4 2627 1 1 27 GLU HG3 H -2.164 -2.763 5.021 1.00 . A W . 27 GLU HG3 1 1 4 2628 1 1 27 GLU N N -5.868 -0.663 4.880 1.00 . A W . 27 GLU N 1 1 4 2629 1 1 27 GLU O O -4.157 0.217 3.020 1.00 . A W . 27 GLU O 1 1 4 2630 1 1 27 GLU OE1 O -2.729 -5.254 5.036 1.00 . A W . 27 GLU OE1 1 1 4 2631 1 1 27 GLU OE2 O -3.220 -4.888 2.934 1.00 . A W . 27 GLU OE2 1 1 4 2632 1 1 28 SER C C -0.426 -0.598 2.770 1.00 . A W . 28 SER C 1 1 4 2633 1 1 28 SER CA C -1.448 0.440 3.254 1.00 . A W . 28 SER CA 1 1 4 2634 1 1 28 SER CB C -0.766 1.667 3.850 1.00 . A W . 28 SER CB 1 1 4 2635 1 1 28 SER H H -1.978 -0.400 5.120 1.00 . A W . 28 SER H 1 1 4 2636 1 1 28 SER HA H -2.057 0.745 2.411 1.00 . A W . 28 SER HA 1 1 4 2637 1 1 28 SER HB2 H -0.420 1.422 4.841 1.00 . A W . 28 SER HB2 1 1 4 2638 1 1 28 SER HB3 H 0.077 1.959 3.252 1.00 . A W . 28 SER HB3 1 1 4 2639 1 1 28 SER HG H -2.575 2.415 3.948 1.00 . A W . 28 SER HG 1 1 4 2640 1 1 28 SER N N -2.341 -0.121 4.252 1.00 . A W . 28 SER N 1 1 4 2641 1 1 28 SER O O -0.007 -1.465 3.540 1.00 . A W . 28 SER O 1 1 4 2642 1 1 28 SER OG O -1.674 2.754 3.954 1.00 . A W . 28 SER OG 1 1 4 2643 1 1 29 THR C C 1.869 -0.620 -0.036 1.00 . A W . 29 THR C 1 1 4 2644 1 1 29 THR CA C 0.999 -1.404 0.949 1.00 . A W . 29 THR CA 1 1 4 2645 1 1 29 THR CB C 0.394 -2.639 0.200 1.00 . A W . 29 THR CB 1 1 4 2646 1 1 29 THR CG2 C -0.848 -3.200 0.885 1.00 . A W . 29 THR CG2 1 1 4 2647 1 1 29 THR H H -0.425 0.167 0.908 1.00 . A W . 29 THR H 1 1 4 2648 1 1 29 THR HA H 1.617 -1.758 1.764 1.00 . A W . 29 THR HA 1 1 4 2649 1 1 29 THR HB H 1.146 -3.417 0.167 1.00 . A W . 29 THR HB 1 1 4 2650 1 1 29 THR HG1 H 0.692 -2.648 -1.749 1.00 . A W . 29 THR HG1 1 1 4 2651 1 1 29 THR HG21 H -1.213 -4.050 0.324 1.00 . A W . 29 THR HG21 1 1 4 2652 1 1 29 THR HG22 H -1.614 -2.440 0.917 1.00 . A W . 29 THR HG22 1 1 4 2653 1 1 29 THR HG23 H -0.602 -3.508 1.889 1.00 . A W . 29 THR HG23 1 1 4 2654 1 1 29 THR N N -0.023 -0.511 1.499 1.00 . A W . 29 THR N 1 1 4 2655 1 1 29 THR O O 1.349 0.164 -0.816 1.00 . A W . 29 THR O 1 1 4 2656 1 1 29 THR OG1 O 0.036 -2.288 -1.137 1.00 . A W . 29 THR OG1 1 1 4 2657 1 1 30 TRP C C 3.914 -0.650 -2.349 1.00 . A W . 30 TRP C 1 1 4 2658 1 1 30 TRP CA C 4.060 -0.089 -0.932 1.00 . A W . 30 TRP CA 1 1 4 2659 1 1 30 TRP CB C 5.525 -0.113 -0.464 1.00 . A W . 30 TRP CB 1 1 4 2660 1 1 30 TRP CD1 C 5.858 0.705 1.952 1.00 . A W . 30 TRP CD1 1 1 4 2661 1 1 30 TRP CD2 C 6.161 2.290 0.412 1.00 . A W . 30 TRP CD2 1 1 4 2662 1 1 30 TRP CE2 C 6.385 2.837 1.693 1.00 . A W . 30 TRP CE2 1 1 4 2663 1 1 30 TRP CE3 C 6.286 3.124 -0.703 1.00 . A W . 30 TRP CE3 1 1 4 2664 1 1 30 TRP CG C 5.840 0.903 0.602 1.00 . A W . 30 TRP CG 1 1 4 2665 1 1 30 TRP CH2 C 6.824 4.954 0.795 1.00 . A W . 30 TRP CH2 1 1 4 2666 1 1 30 TRP CZ2 C 6.717 4.163 1.890 1.00 . A W . 30 TRP CZ2 1 1 4 2667 1 1 30 TRP CZ3 C 6.615 4.451 -0.498 1.00 . A W . 30 TRP CZ3 1 1 4 2668 1 1 30 TRP H H 3.576 -1.421 0.649 1.00 . A W . 30 TRP H 1 1 4 2669 1 1 30 TRP HA H 3.721 0.942 -0.959 1.00 . A W . 30 TRP HA 1 1 4 2670 1 1 30 TRP HB2 H 5.750 -1.092 -0.065 1.00 . A W . 30 TRP HB2 1 1 4 2671 1 1 30 TRP HB3 H 6.169 0.080 -1.310 1.00 . A W . 30 TRP HB3 1 1 4 2672 1 1 30 TRP HD1 H 5.634 -0.213 2.432 1.00 . A W . 30 TRP HD1 1 1 4 2673 1 1 30 TRP HE1 H 6.299 1.949 3.577 1.00 . A W . 30 TRP HE1 1 1 4 2674 1 1 30 TRP HE3 H 6.130 2.752 -1.701 1.00 . A W . 30 TRP HE3 1 1 4 2675 1 1 30 TRP HH2 H 7.057 5.988 0.916 1.00 . A W . 30 TRP HH2 1 1 4 2676 1 1 30 TRP HZ2 H 6.885 4.571 2.875 1.00 . A W . 30 TRP HZ2 1 1 4 2677 1 1 30 TRP HZ3 H 6.707 5.120 -1.342 1.00 . A W . 30 TRP HZ3 1 1 4 2678 1 1 30 TRP N N 3.186 -0.803 -0.002 1.00 . A W . 30 TRP N 1 1 4 2679 1 1 30 TRP NE1 N 6.209 1.852 2.603 1.00 . A W . 30 TRP NE1 1 1 4 2680 1 1 30 TRP O O 3.526 0.074 -3.256 1.00 . A W . 30 TRP O 1 1 4 2681 1 1 31 GLU C C 2.750 -3.473 -3.770 1.00 . A W . 31 GLU C 1 1 4 2682 1 1 31 GLU CA C 3.944 -2.523 -3.860 1.00 . A W . 31 GLU CA 1 1 4 2683 1 1 31 GLU CB C 5.160 -3.227 -4.466 1.00 . A W . 31 GLU CB 1 1 4 2684 1 1 31 GLU CD C 6.301 -5.457 -4.607 1.00 . A W . 31 GLU CD 1 1 4 2685 1 1 31 GLU CG C 5.652 -4.435 -3.694 1.00 . A W . 31 GLU CG 1 1 4 2686 1 1 31 GLU H H 4.660 -2.447 -1.859 1.00 . A W . 31 GLU H 1 1 4 2687 1 1 31 GLU HA H 3.665 -1.713 -4.516 1.00 . A W . 31 GLU HA 1 1 4 2688 1 1 31 GLU HB2 H 4.914 -3.547 -5.466 1.00 . A W . 31 GLU HB2 1 1 4 2689 1 1 31 GLU HB3 H 5.955 -2.513 -4.529 1.00 . A W . 31 GLU HB3 1 1 4 2690 1 1 31 GLU HG2 H 6.379 -4.113 -2.961 1.00 . A W . 31 GLU HG2 1 1 4 2691 1 1 31 GLU HG3 H 4.813 -4.893 -3.195 1.00 . A W . 31 GLU HG3 1 1 4 2692 1 1 31 GLU N N 4.236 -1.921 -2.564 1.00 . A W . 31 GLU N 1 1 4 2693 1 1 31 GLU O O 1.959 -3.403 -2.825 1.00 . A W . 31 GLU O 1 1 4 2694 1 1 31 GLU OE1 O 5.560 -6.184 -5.304 1.00 . A W . 31 GLU OE1 1 1 4 2695 1 1 31 GLU OE2 O 7.543 -5.527 -4.651 1.00 . A W . 31 GLU OE2 1 1 4 2696 1 1 32 LYS C C 1.112 -6.071 -3.807 1.00 . A W . 32 LYS C 1 1 4 2697 1 1 32 LYS CA C 1.436 -5.151 -4.979 1.00 . A W . 32 LYS CA 1 1 4 2698 1 1 32 LYS CB C 1.583 -5.964 -6.268 1.00 . A W . 32 LYS CB 1 1 4 2699 1 1 32 LYS CD C 3.011 -7.551 -7.595 1.00 . A W . 32 LYS CD 1 1 4 2700 1 1 32 LYS CE C 3.723 -6.544 -8.486 1.00 . A W . 32 LYS CE 1 1 4 2701 1 1 32 LYS CG C 2.719 -6.964 -6.220 1.00 . A W . 32 LYS CG 1 1 4 2702 1 1 32 LYS H H 3.391 -4.485 -5.362 1.00 . A W . 32 LYS H 1 1 4 2703 1 1 32 LYS HA H 0.610 -4.465 -5.103 1.00 . A W . 32 LYS HA 1 1 4 2704 1 1 32 LYS HB2 H 0.665 -6.505 -6.447 1.00 . A W . 32 LYS HB2 1 1 4 2705 1 1 32 LYS HB3 H 1.762 -5.284 -7.090 1.00 . A W . 32 LYS HB3 1 1 4 2706 1 1 32 LYS HD2 H 3.637 -8.423 -7.482 1.00 . A W . 32 LYS HD2 1 1 4 2707 1 1 32 LYS HD3 H 2.077 -7.834 -8.060 1.00 . A W . 32 LYS HD3 1 1 4 2708 1 1 32 LYS HE2 H 3.815 -6.963 -9.479 1.00 . A W . 32 LYS HE2 1 1 4 2709 1 1 32 LYS HE3 H 3.135 -5.637 -8.531 1.00 . A W . 32 LYS HE3 1 1 4 2710 1 1 32 LYS HG2 H 3.599 -6.455 -5.860 1.00 . A W . 32 LYS HG2 1 1 4 2711 1 1 32 LYS HG3 H 2.459 -7.766 -5.541 1.00 . A W . 32 LYS HG3 1 1 4 2712 1 1 32 LYS HZ1 H 5.431 -5.336 -8.400 1.00 . A W . 32 LYS HZ1 1 1 4 2713 1 1 32 LYS HZ2 H 5.744 -6.991 -8.189 1.00 . A W . 32 LYS HZ2 1 1 4 2714 1 1 32 LYS HZ3 H 5.051 -6.090 -6.931 1.00 . A W . 32 LYS HZ3 1 1 4 2715 1 1 32 LYS N N 2.634 -4.353 -4.763 1.00 . A W . 32 LYS N 1 1 4 2716 1 1 32 LYS NZ N 5.079 -6.217 -7.968 1.00 . A W . 32 LYS NZ 1 1 4 2717 1 1 32 LYS O O 1.993 -6.666 -3.180 1.00 . A W . 32 LYS O 1 1 4 2718 1 1 33 PRO C C -0.587 -8.568 -2.885 1.00 . A W . 33 PRO C 1 1 4 2719 1 1 33 PRO CA C -0.742 -7.089 -2.510 1.00 . A W . 33 PRO CA 1 1 4 2720 1 1 33 PRO CB C -2.230 -6.723 -2.537 1.00 . A W . 33 PRO CB 1 1 4 2721 1 1 33 PRO CD C -1.208 -5.240 -4.017 1.00 . A W . 33 PRO CD 1 1 4 2722 1 1 33 PRO CG C -2.243 -5.301 -2.947 1.00 . A W . 33 PRO CG 1 1 4 2723 1 1 33 PRO HA H -0.342 -6.918 -1.523 1.00 . A W . 33 PRO HA 1 1 4 2724 1 1 33 PRO HB2 H -2.736 -7.340 -3.278 1.00 . A W . 33 PRO HB2 1 1 4 2725 1 1 33 PRO HB3 H -2.670 -6.867 -1.561 1.00 . A W . 33 PRO HB3 1 1 4 2726 1 1 33 PRO HD2 H -1.612 -5.596 -4.955 1.00 . A W . 33 PRO HD2 1 1 4 2727 1 1 33 PRO HD3 H -0.820 -4.239 -4.116 1.00 . A W . 33 PRO HD3 1 1 4 2728 1 1 33 PRO HG2 H -3.214 -5.029 -3.336 1.00 . A W . 33 PRO HG2 1 1 4 2729 1 1 33 PRO HG3 H -1.967 -4.666 -2.119 1.00 . A W . 33 PRO HG3 1 1 4 2730 1 1 33 PRO N N -0.182 -6.156 -3.500 1.00 . A W . 33 PRO N 1 1 4 2731 1 1 33 PRO O O -0.028 -8.909 -3.929 1.00 . A W . 33 PRO O 1 1 4 2732 1 1 34 GLN C C -1.412 -11.395 -3.509 1.00 . A W . 34 GLN C 1 1 4 2733 1 1 34 GLN CA C -0.996 -10.881 -2.128 1.00 . A W . 34 GLN CA 1 1 4 2734 1 1 34 GLN CB C -1.874 -11.562 -1.069 1.00 . A W . 34 GLN CB 1 1 4 2735 1 1 34 GLN CD C -0.203 -11.893 0.785 1.00 . A W . 34 GLN CD 1 1 4 2736 1 1 34 GLN CG C -1.502 -11.239 0.368 1.00 . A W . 34 GLN CG 1 1 4 2737 1 1 34 GLN H H -1.596 -9.058 -1.242 1.00 . A W . 34 GLN H 1 1 4 2738 1 1 34 GLN HA H 0.033 -11.148 -1.949 1.00 . A W . 34 GLN HA 1 1 4 2739 1 1 34 GLN HB2 H -2.898 -11.264 -1.226 1.00 . A W . 34 GLN HB2 1 1 4 2740 1 1 34 GLN HB3 H -1.802 -12.633 -1.199 1.00 . A W . 34 GLN HB3 1 1 4 2741 1 1 34 GLN HE21 H -1.176 -13.516 1.385 1.00 . A W . 34 GLN HE21 1 1 4 2742 1 1 34 GLN HE22 H 0.544 -13.562 1.568 1.00 . A W . 34 GLN HE22 1 1 4 2743 1 1 34 GLN HG2 H -1.397 -10.169 0.472 1.00 . A W . 34 GLN HG2 1 1 4 2744 1 1 34 GLN HG3 H -2.289 -11.588 1.020 1.00 . A W . 34 GLN HG3 1 1 4 2745 1 1 34 GLN N N -1.116 -9.424 -2.010 1.00 . A W . 34 GLN N 1 1 4 2746 1 1 34 GLN NE2 N -0.291 -13.109 1.299 1.00 . A W . 34 GLN NE2 1 1 4 2747 1 1 34 GLN O O -0.577 -11.804 -4.319 1.00 . A W . 34 GLN O 1 1 4 2748 1 1 34 GLN OE1 O 0.870 -11.317 0.645 1.00 . A W . 34 GLN OE1 1 1 4 2749 1 1 35 GLU C C -3.430 -10.967 -6.082 1.00 . A W . 35 GLU C 1 1 4 2750 1 1 35 GLU CA C -3.272 -11.983 -4.963 1.00 . A W . 35 GLU CA 1 1 4 2751 1 1 35 GLU CB C -4.617 -12.624 -4.636 1.00 . A W . 35 GLU CB 1 1 4 2752 1 1 35 GLU CD C -5.839 -14.338 -3.242 1.00 . A W . 35 GLU CD 1 1 4 2753 1 1 35 GLU CG C -4.519 -13.659 -3.533 1.00 . A W . 35 GLU CG 1 1 4 2754 1 1 35 GLU H H -3.319 -10.940 -3.126 1.00 . A W . 35 GLU H 1 1 4 2755 1 1 35 GLU HA H -2.590 -12.753 -5.290 1.00 . A W . 35 GLU HA 1 1 4 2756 1 1 35 GLU HB2 H -5.306 -11.853 -4.319 1.00 . A W . 35 GLU HB2 1 1 4 2757 1 1 35 GLU HB3 H -5.005 -13.104 -5.524 1.00 . A W . 35 GLU HB3 1 1 4 2758 1 1 35 GLU HG2 H -3.801 -14.408 -3.823 1.00 . A W . 35 GLU HG2 1 1 4 2759 1 1 35 GLU HG3 H -4.176 -13.167 -2.634 1.00 . A W . 35 GLU HG3 1 1 4 2760 1 1 35 GLU N N -2.714 -11.373 -3.765 1.00 . A W . 35 GLU N 1 1 4 2761 1 1 35 GLU O O -3.945 -11.280 -7.156 1.00 . A W . 35 GLU O 1 1 4 2762 1 1 35 GLU OE1 O -6.455 -14.885 -4.181 1.00 . A W . 35 GLU OE1 1 1 4 2763 1 1 35 GLU OE2 O -6.255 -14.352 -2.067 1.00 . A W . 35 GLU OE2 1 1 4 2764 1 1 36 LEU C C -1.756 -8.773 -7.681 1.00 . A W . 36 LEU C 1 1 4 2765 1 1 36 LEU CA C -3.024 -8.718 -6.840 1.00 . A W . 36 LEU CA 1 1 4 2766 1 1 36 LEU CB C -3.245 -7.340 -6.203 1.00 . A W . 36 LEU CB 1 1 4 2767 1 1 36 LEU CD1 C -3.576 -6.279 -8.473 1.00 . A W . 36 LEU CD1 1 1 4 2768 1 1 36 LEU CD2 C -3.428 -4.851 -6.442 1.00 . A W . 36 LEU CD2 1 1 4 2769 1 1 36 LEU CG C -2.941 -6.132 -7.094 1.00 . A W . 36 LEU CG 1 1 4 2770 1 1 36 LEU H H -2.604 -9.554 -4.953 1.00 . A W . 36 LEU H 1 1 4 2771 1 1 36 LEU HA H -3.859 -8.939 -7.487 1.00 . A W . 36 LEU HA 1 1 4 2772 1 1 36 LEU HB2 H -4.276 -7.277 -5.893 1.00 . A W . 36 LEU HB2 1 1 4 2773 1 1 36 LEU HB3 H -2.620 -7.273 -5.324 1.00 . A W . 36 LEU HB3 1 1 4 2774 1 1 36 LEU HD11 H -3.200 -7.171 -8.947 1.00 . A W . 36 LEU HD11 1 1 4 2775 1 1 36 LEU HD12 H -3.328 -5.419 -9.078 1.00 . A W . 36 LEU HD12 1 1 4 2776 1 1 36 LEU HD13 H -4.651 -6.350 -8.370 1.00 . A W . 36 LEU HD13 1 1 4 2777 1 1 36 LEU HD21 H -2.930 -4.721 -5.496 1.00 . A W . 36 LEU HD21 1 1 4 2778 1 1 36 LEU HD22 H -4.494 -4.912 -6.280 1.00 . A W . 36 LEU HD22 1 1 4 2779 1 1 36 LEU HD23 H -3.210 -4.011 -7.085 1.00 . A W . 36 LEU HD23 1 1 4 2780 1 1 36 LEU HG H -1.872 -6.060 -7.208 1.00 . A W . 36 LEU HG 1 1 4 2781 1 1 36 LEU N N -2.986 -9.752 -5.829 1.00 . A W . 36 LEU N 1 1 4 2782 1 1 36 LEU O O -0.710 -8.236 -7.311 1.00 . A W . 36 LEU O 1 1 4 2783 1 1 37 LYS C C -1.270 -9.465 -11.159 1.00 . A W . 37 LYS C 1 1 4 2784 1 1 37 LYS CA C -0.765 -9.631 -9.730 1.00 . A W . 37 LYS CA 1 1 4 2785 1 1 37 LYS CB C -0.090 -10.997 -9.535 1.00 . A W . 37 LYS CB 1 1 4 2786 1 1 37 LYS CD C -0.322 -13.487 -9.263 1.00 . A W . 37 LYS CD 1 1 4 2787 1 1 37 LYS CE C -1.274 -14.653 -9.024 1.00 . A W . 37 LYS CE 1 1 4 2788 1 1 37 LYS CG C -1.060 -12.165 -9.394 1.00 . A W . 37 LYS CG 1 1 4 2789 1 1 37 LYS H H -2.726 -9.879 -9.020 1.00 . A W . 37 LYS H 1 1 4 2790 1 1 37 LYS HA H -0.046 -8.850 -9.530 1.00 . A W . 37 LYS HA 1 1 4 2791 1 1 37 LYS HB2 H 0.548 -11.193 -10.384 1.00 . A W . 37 LYS HB2 1 1 4 2792 1 1 37 LYS HB3 H 0.516 -10.957 -8.643 1.00 . A W . 37 LYS HB3 1 1 4 2793 1 1 37 LYS HD2 H 0.232 -13.669 -10.174 1.00 . A W . 37 LYS HD2 1 1 4 2794 1 1 37 LYS HD3 H 0.367 -13.422 -8.435 1.00 . A W . 37 LYS HD3 1 1 4 2795 1 1 37 LYS HE2 H -1.979 -14.694 -9.837 1.00 . A W . 37 LYS HE2 1 1 4 2796 1 1 37 LYS HE3 H -0.699 -15.569 -9.004 1.00 . A W . 37 LYS HE3 1 1 4 2797 1 1 37 LYS HG2 H -1.668 -12.013 -8.515 1.00 . A W . 37 LYS HG2 1 1 4 2798 1 1 37 LYS HG3 H -1.693 -12.203 -10.269 1.00 . A W . 37 LYS HG3 1 1 4 2799 1 1 37 LYS HZ1 H -2.581 -15.389 -7.569 1.00 . A W . 37 LYS HZ1 1 1 4 2800 1 1 37 LYS HZ2 H -2.672 -13.714 -7.782 1.00 . A W . 37 LYS HZ2 1 1 4 2801 1 1 37 LYS HZ3 H -1.362 -14.393 -6.946 1.00 . A W . 37 LYS HZ3 1 1 4 2802 1 1 37 LYS N N -1.864 -9.467 -8.801 1.00 . A W . 37 LYS N 1 1 4 2803 1 1 37 LYS NZ N -2.024 -14.527 -7.742 1.00 . A W . 37 LYS NZ 1 1 4 2804 1 1 37 LYS O O -0.864 -8.494 -11.822 1.00 . A W . 37 LYS O 1 1 4 2805 1 1 37 LYS OXT O -2.115 -10.278 -11.599 1.00 . A W . 37 LYS OXT 1 1 4 2806 2 2 1 PRO C C -2.873 13.937 1.041 1.00 . B P . 101 PRO C 1 1 4 2807 2 2 1 PRO CA C -2.924 15.456 0.958 1.00 . B P . 101 PRO CA 1 1 4 2808 2 2 1 PRO CB C -2.051 16.078 2.039 1.00 . B P . 101 PRO CB 1 1 4 2809 2 2 1 PRO CD C -4.362 16.574 2.455 1.00 . B P . 101 PRO CD 1 1 4 2810 2 2 1 PRO CG C -2.951 17.067 2.689 1.00 . B P . 101 PRO CG 1 1 4 2811 2 2 1 PRO H2 H -4.909 15.085 0.999 1.00 . B P . 101 PRO H2 1 1 4 2812 2 2 1 PRO H3 H -4.521 16.498 0.277 1.00 . B P . 101 PRO H3 1 1 4 2813 2 2 1 PRO HA H -2.574 15.770 -0.013 1.00 . B P . 101 PRO HA 1 1 4 2814 2 2 1 PRO HB2 H -1.725 15.315 2.733 1.00 . B P . 101 PRO HB2 1 1 4 2815 2 2 1 PRO HB3 H -1.197 16.559 1.590 1.00 . B P . 101 PRO HB3 1 1 4 2816 2 2 1 PRO HD2 H -4.640 15.861 3.215 1.00 . B P . 101 PRO HD2 1 1 4 2817 2 2 1 PRO HD3 H -5.053 17.405 2.450 1.00 . B P . 101 PRO HD3 1 1 4 2818 2 2 1 PRO HG2 H -2.742 17.114 3.748 1.00 . B P . 101 PRO HG2 1 1 4 2819 2 2 1 PRO HG3 H -2.815 18.037 2.236 1.00 . B P . 101 PRO HG3 1 1 4 2820 2 2 1 PRO N N -4.317 15.926 1.133 1.00 . B P . 101 PRO N 1 1 4 2821 2 2 1 PRO O O -3.723 13.326 1.688 1.00 . B P . 101 PRO O 1 1 4 2822 2 2 2 PRO C C -1.175 11.299 1.659 1.00 . B P . 102 PRO C 1 1 4 2823 2 2 2 PRO CA C -1.768 11.850 0.363 1.00 . B P . 102 PRO CA 1 1 4 2824 2 2 2 PRO CB C -0.808 11.582 -0.810 1.00 . B P . 102 PRO CB 1 1 4 2825 2 2 2 PRO CD C -0.818 13.947 -0.377 1.00 . B P . 102 PRO CD 1 1 4 2826 2 2 2 PRO CG C -0.509 12.917 -1.423 1.00 . B P . 102 PRO CG 1 1 4 2827 2 2 2 PRO HA H -2.716 11.378 0.172 1.00 . B P . 102 PRO HA 1 1 4 2828 2 2 2 PRO HB2 H 0.094 11.115 -0.434 1.00 . B P . 102 PRO HB2 1 1 4 2829 2 2 2 PRO HB3 H -1.287 10.922 -1.520 1.00 . B P . 102 PRO HB3 1 1 4 2830 2 2 2 PRO HD2 H 0.049 14.132 0.240 1.00 . B P . 102 PRO HD2 1 1 4 2831 2 2 2 PRO HD3 H -1.163 14.859 -0.837 1.00 . B P . 102 PRO HD3 1 1 4 2832 2 2 2 PRO HG2 H 0.532 12.967 -1.700 1.00 . B P . 102 PRO HG2 1 1 4 2833 2 2 2 PRO HG3 H -1.131 13.066 -2.291 1.00 . B P . 102 PRO HG3 1 1 4 2834 2 2 2 PRO N N -1.883 13.306 0.390 1.00 . B P . 102 PRO N 1 1 4 2835 2 2 2 PRO O O -0.366 11.958 2.314 1.00 . B P . 102 PRO O 1 1 4 2836 2 2 3 PRO C C 0.314 8.826 3.039 1.00 . B P . 103 PRO C 1 1 4 2837 2 2 3 PRO CA C -1.073 9.425 3.243 1.00 . B P . 103 PRO CA 1 1 4 2838 2 2 3 PRO CB C -2.096 8.302 3.505 1.00 . B P . 103 PRO CB 1 1 4 2839 2 2 3 PRO CD C -2.559 9.247 1.349 1.00 . B P . 103 PRO CD 1 1 4 2840 2 2 3 PRO CG C -3.168 8.466 2.474 1.00 . B P . 103 PRO CG 1 1 4 2841 2 2 3 PRO HA H -1.056 10.101 4.084 1.00 . B P . 103 PRO HA 1 1 4 2842 2 2 3 PRO HB2 H -1.611 7.341 3.410 1.00 . B P . 103 PRO HB2 1 1 4 2843 2 2 3 PRO HB3 H -2.495 8.407 4.504 1.00 . B P . 103 PRO HB3 1 1 4 2844 2 2 3 PRO HD2 H -2.078 8.588 0.641 1.00 . B P . 103 PRO HD2 1 1 4 2845 2 2 3 PRO HD3 H -3.304 9.856 0.860 1.00 . B P . 103 PRO HD3 1 1 4 2846 2 2 3 PRO HG2 H -3.488 7.497 2.120 1.00 . B P . 103 PRO HG2 1 1 4 2847 2 2 3 PRO HG3 H -4.003 9.007 2.896 1.00 . B P . 103 PRO HG3 1 1 4 2848 2 2 3 PRO N N -1.576 10.081 2.043 1.00 . B P . 103 PRO N 1 1 4 2849 2 2 3 PRO O O 0.671 8.414 1.933 1.00 . B P . 103 PRO O 1 1 4 2850 2 2 4 LEU C C 2.057 6.577 4.301 1.00 . B P . 104 LEU C 1 1 4 2851 2 2 4 LEU CA C 2.351 8.058 4.112 1.00 . B P . 104 LEU CA 1 1 4 2852 2 2 4 LEU CB C 3.274 8.550 5.228 1.00 . B P . 104 LEU CB 1 1 4 2853 2 2 4 LEU CD1 C 4.540 10.417 6.333 1.00 . B P . 104 LEU CD1 1 1 4 2854 2 2 4 LEU CD2 C 4.557 10.209 3.848 1.00 . B P . 104 LEU CD2 1 1 4 2855 2 2 4 LEU CG C 3.734 10.006 5.110 1.00 . B P . 104 LEU CG 1 1 4 2856 2 2 4 LEU H H 0.821 9.268 4.920 1.00 . B P . 104 LEU H 1 1 4 2857 2 2 4 LEU HA H 2.832 8.208 3.151 1.00 . B P . 104 LEU HA 1 1 4 2858 2 2 4 LEU HB2 H 2.753 8.436 6.168 1.00 . B P . 104 LEU HB2 1 1 4 2859 2 2 4 LEU HB3 H 4.149 7.921 5.244 1.00 . B P . 104 LEU HB3 1 1 4 2860 2 2 4 LEU HD11 H 5.441 9.824 6.389 1.00 . B P . 104 LEU HD11 1 1 4 2861 2 2 4 LEU HD12 H 3.951 10.258 7.224 1.00 . B P . 104 LEU HD12 1 1 4 2862 2 2 4 LEU HD13 H 4.798 11.463 6.256 1.00 . B P . 104 LEU HD13 1 1 4 2863 2 2 4 LEU HD21 H 4.844 11.246 3.770 1.00 . B P . 104 LEU HD21 1 1 4 2864 2 2 4 LEU HD22 H 3.969 9.934 2.986 1.00 . B P . 104 LEU HD22 1 1 4 2865 2 2 4 LEU HD23 H 5.443 9.591 3.890 1.00 . B P . 104 LEU HD23 1 1 4 2866 2 2 4 LEU HG H 2.868 10.648 5.053 1.00 . B P . 104 LEU HG 1 1 4 2867 2 2 4 LEU N N 1.100 8.802 4.104 1.00 . B P . 104 LEU N 1 1 4 2868 2 2 4 LEU O O 1.069 6.226 4.952 1.00 . B P . 104 LEU O 1 1 4 2869 2 2 5 ILE C C 3.341 3.967 5.371 1.00 . B P . 105 ILE C 1 1 4 2870 2 2 5 ILE CA C 2.746 4.281 3.995 1.00 . B P . 105 ILE CA 1 1 4 2871 2 2 5 ILE CB C 3.465 3.390 2.938 1.00 . B P . 105 ILE CB 1 1 4 2872 2 2 5 ILE CD1 C 3.329 4.958 0.917 1.00 . B P . 105 ILE CD1 1 1 4 2873 2 2 5 ILE CG1 C 2.981 3.606 1.514 1.00 . B P . 105 ILE CG1 1 1 4 2874 2 2 5 ILE CG2 C 3.259 1.920 3.259 1.00 . B P . 105 ILE CG2 1 1 4 2875 2 2 5 ILE H H 3.603 6.028 3.160 1.00 . B P . 105 ILE H 1 1 4 2876 2 2 5 ILE HA H 1.690 4.039 4.001 1.00 . B P . 105 ILE HA 1 1 4 2877 2 2 5 ILE HB H 4.536 3.603 2.975 1.00 . B P . 105 ILE HB 1 1 4 2878 2 2 5 ILE HD11 H 2.422 5.548 0.799 1.00 . B P . 105 ILE HD11 1 1 4 2879 2 2 5 ILE HD12 H 3.788 4.812 -0.050 1.00 . B P . 105 ILE HD12 1 1 4 2880 2 2 5 ILE HD13 H 4.018 5.474 1.569 1.00 . B P . 105 ILE HD13 1 1 4 2881 2 2 5 ILE HG12 H 3.449 2.834 0.899 1.00 . B P . 105 ILE HG12 1 1 4 2882 2 2 5 ILE HG13 H 1.905 3.486 1.480 1.00 . B P . 105 ILE HG13 1 1 4 2883 2 2 5 ILE HG21 H 3.737 1.320 2.499 1.00 . B P . 105 ILE HG21 1 1 4 2884 2 2 5 ILE HG22 H 2.202 1.700 3.284 1.00 . B P . 105 ILE HG22 1 1 4 2885 2 2 5 ILE HG23 H 3.698 1.697 4.219 1.00 . B P . 105 ILE HG23 1 1 4 2886 2 2 5 ILE N N 2.883 5.707 3.736 1.00 . B P . 105 ILE N 1 1 4 2887 2 2 5 ILE O O 4.296 4.619 5.795 1.00 . B P . 105 ILE O 1 1 4 2888 2 2 6 PRO C C 4.608 1.473 6.789 1.00 . B P . 106 PRO C 1 1 4 2889 2 2 6 PRO CA C 3.488 2.409 7.242 1.00 . B P . 106 PRO CA 1 1 4 2890 2 2 6 PRO CB C 2.368 1.620 7.935 1.00 . B P . 106 PRO CB 1 1 4 2891 2 2 6 PRO CD C 1.516 2.328 5.824 1.00 . B P . 106 PRO CD 1 1 4 2892 2 2 6 PRO CG C 1.464 1.211 6.816 1.00 . B P . 106 PRO CG 1 1 4 2893 2 2 6 PRO HA H 3.879 3.173 7.897 1.00 . B P . 106 PRO HA 1 1 4 2894 2 2 6 PRO HB2 H 2.788 0.762 8.444 1.00 . B P . 106 PRO HB2 1 1 4 2895 2 2 6 PRO HB3 H 1.859 2.256 8.645 1.00 . B P . 106 PRO HB3 1 1 4 2896 2 2 6 PRO HD2 H 1.473 1.938 4.818 1.00 . B P . 106 PRO HD2 1 1 4 2897 2 2 6 PRO HD3 H 0.707 3.020 5.990 1.00 . B P . 106 PRO HD3 1 1 4 2898 2 2 6 PRO HG2 H 1.828 0.302 6.367 1.00 . B P . 106 PRO HG2 1 1 4 2899 2 2 6 PRO HG3 H 0.453 1.080 7.168 1.00 . B P . 106 PRO HG3 1 1 4 2900 2 2 6 PRO N N 2.812 2.962 6.077 1.00 . B P . 106 PRO N 1 1 4 2901 2 2 6 PRO O O 4.509 0.852 5.731 1.00 . B P . 106 PRO O 1 1 4 2902 2 2 7 PRO C C 6.524 -0.991 7.484 1.00 . B P . 107 PRO C 1 1 4 2903 2 2 7 PRO CA C 6.801 0.481 7.179 1.00 . B P . 107 PRO CA 1 1 4 2904 2 2 7 PRO CB C 7.959 1.005 8.029 1.00 . B P . 107 PRO CB 1 1 4 2905 2 2 7 PRO CD C 5.958 2.083 8.814 1.00 . B P . 107 PRO CD 1 1 4 2906 2 2 7 PRO CG C 7.312 1.581 9.246 1.00 . B P . 107 PRO CG 1 1 4 2907 2 2 7 PRO HA H 7.043 0.584 6.120 1.00 . B P . 107 PRO HA 1 1 4 2908 2 2 7 PRO HB2 H 8.619 0.187 8.280 1.00 . B P . 107 PRO HB2 1 1 4 2909 2 2 7 PRO HB3 H 8.503 1.756 7.481 1.00 . B P . 107 PRO HB3 1 1 4 2910 2 2 7 PRO HD2 H 5.212 1.837 9.557 1.00 . B P . 107 PRO HD2 1 1 4 2911 2 2 7 PRO HD3 H 5.989 3.149 8.651 1.00 . B P . 107 PRO HD3 1 1 4 2912 2 2 7 PRO HG2 H 7.201 0.814 9.995 1.00 . B P . 107 PRO HG2 1 1 4 2913 2 2 7 PRO HG3 H 7.909 2.398 9.628 1.00 . B P . 107 PRO HG3 1 1 4 2914 2 2 7 PRO N N 5.698 1.362 7.553 1.00 . B P . 107 PRO N 1 1 4 2915 2 2 7 PRO O O 5.813 -1.317 8.440 1.00 . B P . 107 PRO O 1 1 4 2916 2 2 8 PRO C C 8.053 -3.754 7.996 1.00 . B P . 108 PRO C 1 1 4 2917 2 2 8 PRO CA C 7.042 -3.337 6.929 1.00 . B P . 108 PRO CA 1 1 4 2918 2 2 8 PRO CB C 7.412 -3.963 5.568 1.00 . B P . 108 PRO CB 1 1 4 2919 2 2 8 PRO CD C 7.797 -1.597 5.431 1.00 . B P . 108 PRO CD 1 1 4 2920 2 2 8 PRO CG C 7.532 -2.821 4.606 1.00 . B P . 108 PRO CG 1 1 4 2921 2 2 8 PRO HA H 6.054 -3.658 7.226 1.00 . B P . 108 PRO HA 1 1 4 2922 2 2 8 PRO HB2 H 8.347 -4.500 5.657 1.00 . B P . 108 PRO HB2 1 1 4 2923 2 2 8 PRO HB3 H 6.632 -4.647 5.264 1.00 . B P . 108 PRO HB3 1 1 4 2924 2 2 8 PRO HD2 H 8.856 -1.479 5.606 1.00 . B P . 108 PRO HD2 1 1 4 2925 2 2 8 PRO HD3 H 7.386 -0.721 4.956 1.00 . B P . 108 PRO HD3 1 1 4 2926 2 2 8 PRO HG2 H 8.352 -2.996 3.926 1.00 . B P . 108 PRO HG2 1 1 4 2927 2 2 8 PRO HG3 H 6.611 -2.707 4.057 1.00 . B P . 108 PRO HG3 1 1 4 2928 2 2 8 PRO N N 7.091 -1.897 6.674 1.00 . B P . 108 PRO N 1 1 4 2929 2 2 8 PRO O O 9.109 -3.134 8.133 1.00 . B P . 108 PRO O 1 1 4 2930 2 2 9 PRO C C 9.726 -6.226 9.109 1.00 . B P . 109 PRO C 1 1 4 2931 2 2 9 PRO CA C 8.660 -5.350 9.762 1.00 . B P . 109 PRO CA 1 1 4 2932 2 2 9 PRO CB C 7.758 -6.195 10.679 1.00 . B P . 109 PRO CB 1 1 4 2933 2 2 9 PRO CD C 6.464 -5.517 8.771 1.00 . B P . 109 PRO CD 1 1 4 2934 2 2 9 PRO CG C 6.356 -5.979 10.197 1.00 . B P . 109 PRO CG 1 1 4 2935 2 2 9 PRO HA H 9.137 -4.572 10.339 1.00 . B P . 109 PRO HA 1 1 4 2936 2 2 9 PRO HB2 H 8.040 -7.233 10.600 1.00 . B P . 109 PRO HB2 1 1 4 2937 2 2 9 PRO HB3 H 7.877 -5.864 11.701 1.00 . B P . 109 PRO HB3 1 1 4 2938 2 2 9 PRO HD2 H 6.491 -6.363 8.101 1.00 . B P . 109 PRO HD2 1 1 4 2939 2 2 9 PRO HD3 H 5.648 -4.855 8.523 1.00 . B P . 109 PRO HD3 1 1 4 2940 2 2 9 PRO HG2 H 5.804 -6.905 10.246 1.00 . B P . 109 PRO HG2 1 1 4 2941 2 2 9 PRO HG3 H 5.871 -5.223 10.798 1.00 . B P . 109 PRO HG3 1 1 4 2942 2 2 9 PRO N N 7.741 -4.801 8.769 1.00 . B P . 109 PRO N 1 1 4 2943 2 2 9 PRO O O 10.883 -5.768 8.988 1.00 . B P . 109 PRO O 1 1 4 2944 2 2 9 PRO OXT O 9.394 -7.355 8.694 1.00 . B P . 109 PRO OXT 1 1 5 2945 1 1 1 GLY C C -9.159 -18.378 4.971 1.00 . A W . 1 GLY C 1 1 5 2946 1 1 1 GLY CA C -7.862 -18.397 5.743 1.00 . A W . 1 GLY CA 1 1 5 2947 1 1 1 GLY H1 H -7.171 -18.851 7.663 1.00 . A W . 1 GLY H1 1 1 5 2948 1 1 1 GLY H2 H -8.637 -19.604 7.255 1.00 . A W . 1 GLY H2 1 1 5 2949 1 1 1 GLY H3 H -8.610 -17.953 7.634 1.00 . A W . 1 GLY H3 1 1 5 2950 1 1 1 GLY HA2 H -7.394 -17.428 5.668 1.00 . A W . 1 GLY HA2 1 1 5 2951 1 1 1 GLY HA3 H -7.204 -19.138 5.310 1.00 . A W . 1 GLY HA3 1 1 5 2952 1 1 1 GLY N N -8.082 -18.724 7.173 1.00 . A W . 1 GLY N 1 1 5 2953 1 1 1 GLY O O -9.229 -18.882 3.851 1.00 . A W . 1 GLY O 1 1 5 2954 1 1 2 ALA C C -11.836 -16.372 4.439 1.00 . A W . 2 ALA C 1 1 5 2955 1 1 2 ALA CA C -11.512 -17.768 4.964 1.00 . A W . 2 ALA CA 1 1 5 2956 1 1 2 ALA CB C -12.573 -18.219 5.957 1.00 . A W . 2 ALA CB 1 1 5 2957 1 1 2 ALA H H -10.061 -17.373 6.455 1.00 . A W . 2 ALA H 1 1 5 2958 1 1 2 ALA HA H -11.510 -18.462 4.136 1.00 . A W . 2 ALA HA 1 1 5 2959 1 1 2 ALA HB1 H -12.351 -19.220 6.296 1.00 . A W . 2 ALA HB1 1 1 5 2960 1 1 2 ALA HB2 H -13.542 -18.208 5.479 1.00 . A W . 2 ALA HB2 1 1 5 2961 1 1 2 ALA HB3 H -12.585 -17.547 6.804 1.00 . A W . 2 ALA HB3 1 1 5 2962 1 1 2 ALA N N -10.194 -17.802 5.577 1.00 . A W . 2 ALA N 1 1 5 2963 1 1 2 ALA O O -12.617 -16.217 3.502 1.00 . A W . 2 ALA O 1 1 5 2964 1 1 3 THR C C -10.565 -13.639 3.437 1.00 . A W . 3 THR C 1 1 5 2965 1 1 3 THR CA C -11.465 -13.989 4.625 1.00 . A W . 3 THR CA 1 1 5 2966 1 1 3 THR CB C -11.255 -12.987 5.792 1.00 . A W . 3 THR CB 1 1 5 2967 1 1 3 THR CG2 C -9.848 -13.075 6.371 1.00 . A W . 3 THR CG2 1 1 5 2968 1 1 3 THR H H -10.622 -15.535 5.790 1.00 . A W . 3 THR H 1 1 5 2969 1 1 3 THR HA H -12.498 -13.920 4.304 1.00 . A W . 3 THR HA 1 1 5 2970 1 1 3 THR HB H -11.963 -13.225 6.571 1.00 . A W . 3 THR HB 1 1 5 2971 1 1 3 THR HG1 H -12.248 -11.653 4.736 1.00 . A W . 3 THR HG1 1 1 5 2972 1 1 3 THR HG21 H -9.745 -12.376 7.190 1.00 . A W . 3 THR HG21 1 1 5 2973 1 1 3 THR HG22 H -9.130 -12.835 5.601 1.00 . A W . 3 THR HG22 1 1 5 2974 1 1 3 THR HG23 H -9.670 -14.076 6.727 1.00 . A W . 3 THR HG23 1 1 5 2975 1 1 3 THR N N -11.234 -15.358 5.046 1.00 . A W . 3 THR N 1 1 5 2976 1 1 3 THR O O -9.346 -13.831 3.478 1.00 . A W . 3 THR O 1 1 5 2977 1 1 3 THR OG1 O -11.501 -11.650 5.348 1.00 . A W . 3 THR OG1 1 1 5 2978 1 1 4 ALA C C -10.122 -11.303 1.190 1.00 . A W . 4 ALA C 1 1 5 2979 1 1 4 ALA CA C -10.440 -12.789 1.168 1.00 . A W . 4 ALA CA 1 1 5 2980 1 1 4 ALA CB C -11.238 -13.146 -0.074 1.00 . A W . 4 ALA CB 1 1 5 2981 1 1 4 ALA H H -12.150 -13.073 2.370 1.00 . A W . 4 ALA H 1 1 5 2982 1 1 4 ALA HA H -9.515 -13.347 1.146 1.00 . A W . 4 ALA HA 1 1 5 2983 1 1 4 ALA HB1 H -10.667 -12.893 -0.953 1.00 . A W . 4 ALA HB1 1 1 5 2984 1 1 4 ALA HB2 H -12.167 -12.594 -0.077 1.00 . A W . 4 ALA HB2 1 1 5 2985 1 1 4 ALA HB3 H -11.446 -14.205 -0.071 1.00 . A W . 4 ALA HB3 1 1 5 2986 1 1 4 ALA N N -11.176 -13.169 2.362 1.00 . A W . 4 ALA N 1 1 5 2987 1 1 4 ALA O O -10.704 -10.552 1.973 1.00 . A W . 4 ALA O 1 1 5 2988 1 1 5 VAL C C -8.918 -8.961 -1.148 1.00 . A W . 5 VAL C 1 1 5 2989 1 1 5 VAL CA C -8.802 -9.490 0.272 1.00 . A W . 5 VAL CA 1 1 5 2990 1 1 5 VAL CB C -7.354 -9.280 0.776 1.00 . A W . 5 VAL CB 1 1 5 2991 1 1 5 VAL CG1 C -7.240 -9.619 2.254 1.00 . A W . 5 VAL CG1 1 1 5 2992 1 1 5 VAL CG2 C -6.375 -10.111 -0.041 1.00 . A W . 5 VAL CG2 1 1 5 2993 1 1 5 VAL H H -8.800 -11.523 -0.286 1.00 . A W . 5 VAL H 1 1 5 2994 1 1 5 VAL HA H -9.465 -8.926 0.910 1.00 . A W . 5 VAL HA 1 1 5 2995 1 1 5 VAL HB H -7.100 -8.238 0.649 1.00 . A W . 5 VAL HB 1 1 5 2996 1 1 5 VAL HG11 H -7.928 -9.003 2.817 1.00 . A W . 5 VAL HG11 1 1 5 2997 1 1 5 VAL HG12 H -6.231 -9.432 2.589 1.00 . A W . 5 VAL HG12 1 1 5 2998 1 1 5 VAL HG13 H -7.484 -10.660 2.405 1.00 . A W . 5 VAL HG13 1 1 5 2999 1 1 5 VAL HG21 H -6.444 -9.826 -1.082 1.00 . A W . 5 VAL HG21 1 1 5 3000 1 1 5 VAL HG22 H -6.616 -11.159 0.062 1.00 . A W . 5 VAL HG22 1 1 5 3001 1 1 5 VAL HG23 H -5.372 -9.936 0.315 1.00 . A W . 5 VAL HG23 1 1 5 3002 1 1 5 VAL N N -9.205 -10.883 0.335 1.00 . A W . 5 VAL N 1 1 5 3003 1 1 5 VAL O O -8.976 -9.741 -2.098 1.00 . A W . 5 VAL O 1 1 5 3004 1 1 6 SER C C -9.288 -5.475 -2.255 1.00 . A W . 6 SER C 1 1 5 3005 1 1 6 SER CA C -9.023 -6.935 -2.537 1.00 . A W . 6 SER CA 1 1 5 3006 1 1 6 SER CB C -10.109 -7.506 -3.462 1.00 . A W . 6 SER CB 1 1 5 3007 1 1 6 SER H H -8.962 -7.102 -0.446 1.00 . A W . 6 SER H 1 1 5 3008 1 1 6 SER HA H -8.060 -7.022 -3.015 1.00 . A W . 6 SER HA 1 1 5 3009 1 1 6 SER HB2 H -9.919 -8.543 -3.612 1.00 . A W . 6 SER HB2 1 1 5 3010 1 1 6 SER HB3 H -11.081 -7.375 -3.007 1.00 . A W . 6 SER HB3 1 1 5 3011 1 1 6 SER HG H -9.482 -7.336 -5.309 1.00 . A W . 6 SER HG 1 1 5 3012 1 1 6 SER N N -8.966 -7.640 -1.263 1.00 . A W . 6 SER N 1 1 5 3013 1 1 6 SER O O -8.959 -4.988 -1.172 1.00 . A W . 6 SER O 1 1 5 3014 1 1 6 SER OG O -10.111 -6.880 -4.735 1.00 . A W . 6 SER OG 1 1 5 3015 1 1 7 GLU C C -8.833 -2.643 -3.048 1.00 . A W . 7 GLU C 1 1 5 3016 1 1 7 GLU CA C -10.157 -3.386 -3.132 1.00 . A W . 7 GLU CA 1 1 5 3017 1 1 7 GLU CB C -11.090 -3.091 -1.952 1.00 . A W . 7 GLU CB 1 1 5 3018 1 1 7 GLU CD C -13.184 -3.915 -0.770 1.00 . A W . 7 GLU CD 1 1 5 3019 1 1 7 GLU CG C -12.409 -3.843 -2.069 1.00 . A W . 7 GLU CG 1 1 5 3020 1 1 7 GLU H H -10.167 -5.293 -4.029 1.00 . A W . 7 GLU H 1 1 5 3021 1 1 7 GLU HA H -10.650 -3.092 -4.049 1.00 . A W . 7 GLU HA 1 1 5 3022 1 1 7 GLU HB2 H -10.606 -3.388 -1.031 1.00 . A W . 7 GLU HB2 1 1 5 3023 1 1 7 GLU HB3 H -11.302 -2.033 -1.921 1.00 . A W . 7 GLU HB3 1 1 5 3024 1 1 7 GLU HG2 H -13.020 -3.346 -2.806 1.00 . A W . 7 GLU HG2 1 1 5 3025 1 1 7 GLU HG3 H -12.203 -4.852 -2.401 1.00 . A W . 7 GLU HG3 1 1 5 3026 1 1 7 GLU N N -9.891 -4.803 -3.221 1.00 . A W . 7 GLU N 1 1 5 3027 1 1 7 GLU O O -8.373 -2.241 -1.978 1.00 . A W . 7 GLU O 1 1 5 3028 1 1 7 GLU OE1 O -12.742 -4.628 0.147 1.00 . A W . 7 GLU OE1 1 1 5 3029 1 1 7 GLU OE2 O -14.265 -3.301 -0.685 1.00 . A W . 7 GLU OE2 1 1 5 3030 1 1 8 TRP C C -6.861 -0.726 -5.240 1.00 . A W . 8 TRP C 1 1 5 3031 1 1 8 TRP CA C -6.881 -1.941 -4.324 1.00 . A W . 8 TRP CA 1 1 5 3032 1 1 8 TRP CB C -5.949 -2.992 -4.953 1.00 . A W . 8 TRP CB 1 1 5 3033 1 1 8 TRP CD1 C -6.185 -5.536 -4.706 1.00 . A W . 8 TRP CD1 1 1 5 3034 1 1 8 TRP CD2 C -5.682 -4.438 -2.844 1.00 . A W . 8 TRP CD2 1 1 5 3035 1 1 8 TRP CE2 C -5.783 -5.800 -2.528 1.00 . A W . 8 TRP CE2 1 1 5 3036 1 1 8 TRP CE3 C -5.378 -3.532 -1.856 1.00 . A W . 8 TRP CE3 1 1 5 3037 1 1 8 TRP CG C -5.934 -4.290 -4.219 1.00 . A W . 8 TRP CG 1 1 5 3038 1 1 8 TRP CH2 C -5.305 -5.346 -0.270 1.00 . A W . 8 TRP CH2 1 1 5 3039 1 1 8 TRP CZ2 C -5.589 -6.277 -1.237 1.00 . A W . 8 TRP CZ2 1 1 5 3040 1 1 8 TRP CZ3 C -5.199 -3.989 -0.576 1.00 . A W . 8 TRP CZ3 1 1 5 3041 1 1 8 TRP H H -8.686 -2.810 -5.022 1.00 . A W . 8 TRP H 1 1 5 3042 1 1 8 TRP HA H -6.520 -1.677 -3.326 1.00 . A W . 8 TRP HA 1 1 5 3043 1 1 8 TRP HB2 H -6.271 -3.187 -5.965 1.00 . A W . 8 TRP HB2 1 1 5 3044 1 1 8 TRP HB3 H -4.941 -2.607 -4.969 1.00 . A W . 8 TRP HB3 1 1 5 3045 1 1 8 TRP HD1 H -6.410 -5.756 -5.738 1.00 . A W . 8 TRP HD1 1 1 5 3046 1 1 8 TRP HE1 H -6.223 -7.444 -3.789 1.00 . A W . 8 TRP HE1 1 1 5 3047 1 1 8 TRP HE3 H -5.264 -2.482 -2.094 1.00 . A W . 8 TRP HE3 1 1 5 3048 1 1 8 TRP HH2 H -5.149 -5.643 0.757 1.00 . A W . 8 TRP HH2 1 1 5 3049 1 1 8 TRP HZ2 H -5.667 -7.324 -0.993 1.00 . A W . 8 TRP HZ2 1 1 5 3050 1 1 8 TRP HZ3 H -5.012 -3.287 0.224 1.00 . A W . 8 TRP HZ3 1 1 5 3051 1 1 8 TRP N N -8.230 -2.484 -4.212 1.00 . A W . 8 TRP N 1 1 5 3052 1 1 8 TRP NE1 N -6.081 -6.460 -3.692 1.00 . A W . 8 TRP NE1 1 1 5 3053 1 1 8 TRP O O -7.301 -0.796 -6.387 1.00 . A W . 8 TRP O 1 1 5 3054 1 1 9 THR C C -4.731 1.889 -5.750 1.00 . A W . 9 THR C 1 1 5 3055 1 1 9 THR CA C -6.186 1.577 -5.547 1.00 . A W . 9 THR CA 1 1 5 3056 1 1 9 THR CB C -6.911 2.819 -4.958 1.00 . A W . 9 THR CB 1 1 5 3057 1 1 9 THR CG2 C -6.837 2.847 -3.439 1.00 . A W . 9 THR CG2 1 1 5 3058 1 1 9 THR H H -6.095 0.406 -3.786 1.00 . A W . 9 THR H 1 1 5 3059 1 1 9 THR HA H -6.627 1.369 -6.512 1.00 . A W . 9 THR HA 1 1 5 3060 1 1 9 THR HB H -7.917 2.744 -5.259 1.00 . A W . 9 THR HB 1 1 5 3061 1 1 9 THR HG1 H -6.267 4.675 -4.752 1.00 . A W . 9 THR HG1 1 1 5 3062 1 1 9 THR HG21 H -7.335 3.731 -3.069 1.00 . A W . 9 THR HG21 1 1 5 3063 1 1 9 THR HG22 H -5.796 2.864 -3.131 1.00 . A W . 9 THR HG22 1 1 5 3064 1 1 9 THR HG23 H -7.317 1.968 -3.034 1.00 . A W . 9 THR HG23 1 1 5 3065 1 1 9 THR N N -6.358 0.385 -4.729 1.00 . A W . 9 THR N 1 1 5 3066 1 1 9 THR O O -3.838 1.241 -5.198 1.00 . A W . 9 THR O 1 1 5 3067 1 1 9 THR OG1 O -6.432 4.064 -5.481 1.00 . A W . 9 THR OG1 1 1 5 3068 1 1 10 GLU C C -2.977 4.740 -6.248 1.00 . A W . 10 GLU C 1 1 5 3069 1 1 10 GLU CA C -3.212 3.385 -6.874 1.00 . A W . 10 GLU CA 1 1 5 3070 1 1 10 GLU CB C -3.030 3.484 -8.382 1.00 . A W . 10 GLU CB 1 1 5 3071 1 1 10 GLU CD C -2.934 2.273 -10.587 1.00 . A W . 10 GLU CD 1 1 5 3072 1 1 10 GLU CG C -3.204 2.163 -9.102 1.00 . A W . 10 GLU CG 1 1 5 3073 1 1 10 GLU H H -5.344 3.405 -6.824 1.00 . A W . 10 GLU H 1 1 5 3074 1 1 10 GLU HA H -2.490 2.687 -6.475 1.00 . A W . 10 GLU HA 1 1 5 3075 1 1 10 GLU HB2 H -3.752 4.181 -8.767 1.00 . A W . 10 GLU HB2 1 1 5 3076 1 1 10 GLU HB3 H -2.038 3.853 -8.589 1.00 . A W . 10 GLU HB3 1 1 5 3077 1 1 10 GLU HG2 H -2.519 1.444 -8.675 1.00 . A W . 10 GLU HG2 1 1 5 3078 1 1 10 GLU HG3 H -4.222 1.825 -8.955 1.00 . A W . 10 GLU HG3 1 1 5 3079 1 1 10 GLU N N -4.534 2.907 -6.528 1.00 . A W . 10 GLU N 1 1 5 3080 1 1 10 GLU O O -3.688 5.704 -6.526 1.00 . A W . 10 GLU O 1 1 5 3081 1 1 10 GLU OE1 O -1.752 2.401 -10.977 1.00 . A W . 10 GLU OE1 1 1 5 3082 1 1 10 GLU OE2 O -3.908 2.219 -11.374 1.00 . A W . 10 GLU OE2 1 1 5 3083 1 1 11 TYR C C -0.172 6.358 -4.983 1.00 . A W . 11 TYR C 1 1 5 3084 1 1 11 TYR CA C -1.627 6.018 -4.714 1.00 . A W . 11 TYR CA 1 1 5 3085 1 1 11 TYR CB C -1.855 5.868 -3.207 1.00 . A W . 11 TYR CB 1 1 5 3086 1 1 11 TYR CD1 C -4.383 5.907 -3.257 1.00 . A W . 11 TYR CD1 1 1 5 3087 1 1 11 TYR CD2 C -3.254 7.325 -1.711 1.00 . A W . 11 TYR CD2 1 1 5 3088 1 1 11 TYR CE1 C -5.601 6.379 -2.802 1.00 . A W . 11 TYR CE1 1 1 5 3089 1 1 11 TYR CE2 C -4.463 7.800 -1.249 1.00 . A W . 11 TYR CE2 1 1 5 3090 1 1 11 TYR CG C -3.191 6.373 -2.717 1.00 . A W . 11 TYR CG 1 1 5 3091 1 1 11 TYR CZ C -5.635 7.326 -1.796 1.00 . A W . 11 TYR CZ 1 1 5 3092 1 1 11 TYR H H -1.452 3.987 -5.241 1.00 . A W . 11 TYR H 1 1 5 3093 1 1 11 TYR HA H -2.254 6.809 -5.092 1.00 . A W . 11 TYR HA 1 1 5 3094 1 1 11 TYR HB2 H -1.787 4.823 -2.948 1.00 . A W . 11 TYR HB2 1 1 5 3095 1 1 11 TYR HB3 H -1.083 6.411 -2.679 1.00 . A W . 11 TYR HB3 1 1 5 3096 1 1 11 TYR HD1 H -4.350 5.164 -4.041 1.00 . A W . 11 TYR HD1 1 1 5 3097 1 1 11 TYR HD2 H -2.336 7.692 -1.282 1.00 . A W . 11 TYR HD2 1 1 5 3098 1 1 11 TYR HE1 H -6.520 6.007 -3.232 1.00 . A W . 11 TYR HE1 1 1 5 3099 1 1 11 TYR HE2 H -4.485 8.544 -0.465 1.00 . A W . 11 TYR HE2 1 1 5 3100 1 1 11 TYR HH H -6.837 8.762 -1.354 1.00 . A W . 11 TYR HH 1 1 5 3101 1 1 11 TYR N N -1.981 4.798 -5.403 1.00 . A W . 11 TYR N 1 1 5 3102 1 1 11 TYR O O 0.726 5.574 -4.668 1.00 . A W . 11 TYR O 1 1 5 3103 1 1 11 TYR OH O -6.843 7.799 -1.330 1.00 . A W . 11 TYR OH 1 1 5 3104 1 1 12 LYS C C 1.789 9.042 -4.831 1.00 . A W . 12 LYS C 1 1 5 3105 1 1 12 LYS CA C 1.422 7.949 -5.824 1.00 . A W . 12 LYS CA 1 1 5 3106 1 1 12 LYS CB C 1.631 8.424 -7.273 1.00 . A W . 12 LYS CB 1 1 5 3107 1 1 12 LYS CD C -0.615 9.292 -8.102 1.00 . A W . 12 LYS CD 1 1 5 3108 1 1 12 LYS CE C -0.652 8.326 -9.283 1.00 . A W . 12 LYS CE 1 1 5 3109 1 1 12 LYS CG C 0.813 9.641 -7.699 1.00 . A W . 12 LYS CG 1 1 5 3110 1 1 12 LYS H H -0.688 8.071 -5.864 1.00 . A W . 12 LYS H 1 1 5 3111 1 1 12 LYS HA H 2.066 7.102 -5.642 1.00 . A W . 12 LYS HA 1 1 5 3112 1 1 12 LYS HB2 H 2.673 8.667 -7.402 1.00 . A W . 12 LYS HB2 1 1 5 3113 1 1 12 LYS HB3 H 1.385 7.607 -7.936 1.00 . A W . 12 LYS HB3 1 1 5 3114 1 1 12 LYS HD2 H -1.113 8.834 -7.259 1.00 . A W . 12 LYS HD2 1 1 5 3115 1 1 12 LYS HD3 H -1.129 10.199 -8.377 1.00 . A W . 12 LYS HD3 1 1 5 3116 1 1 12 LYS HE2 H 0.069 8.650 -10.017 1.00 . A W . 12 LYS HE2 1 1 5 3117 1 1 12 LYS HE3 H -0.391 7.339 -8.934 1.00 . A W . 12 LYS HE3 1 1 5 3118 1 1 12 LYS HG2 H 0.777 10.338 -6.877 1.00 . A W . 12 LYS HG2 1 1 5 3119 1 1 12 LYS HG3 H 1.305 10.107 -8.540 1.00 . A W . 12 LYS HG3 1 1 5 3120 1 1 12 LYS HZ1 H -2.743 8.197 -9.185 1.00 . A W . 12 LYS HZ1 1 1 5 3121 1 1 12 LYS HZ2 H -2.067 7.464 -10.564 1.00 . A W . 12 LYS HZ2 1 1 5 3122 1 1 12 LYS HZ3 H -2.164 9.150 -10.469 1.00 . A W . 12 LYS HZ3 1 1 5 3123 1 1 12 LYS N N 0.063 7.507 -5.586 1.00 . A W . 12 LYS N 1 1 5 3124 1 1 12 LYS NZ N -1.999 8.278 -9.916 1.00 . A W . 12 LYS NZ 1 1 5 3125 1 1 12 LYS O O 1.096 10.050 -4.716 1.00 . A W . 12 LYS O 1 1 5 3126 1 1 13 THR C C 4.122 10.887 -3.711 1.00 . A W . 13 THR C 1 1 5 3127 1 1 13 THR CA C 3.303 9.760 -3.084 1.00 . A W . 13 THR CA 1 1 5 3128 1 1 13 THR CB C 4.116 9.052 -1.983 1.00 . A W . 13 THR CB 1 1 5 3129 1 1 13 THR CG2 C 3.193 8.302 -1.027 1.00 . A W . 13 THR CG2 1 1 5 3130 1 1 13 THR H H 3.377 7.991 -4.237 1.00 . A W . 13 THR H 1 1 5 3131 1 1 13 THR HA H 2.421 10.190 -2.628 1.00 . A W . 13 THR HA 1 1 5 3132 1 1 13 THR HB H 4.658 9.800 -1.424 1.00 . A W . 13 THR HB 1 1 5 3133 1 1 13 THR HG1 H 4.718 7.239 -2.489 1.00 . A W . 13 THR HG1 1 1 5 3134 1 1 13 THR HG21 H 2.505 8.997 -0.568 1.00 . A W . 13 THR HG21 1 1 5 3135 1 1 13 THR HG22 H 3.783 7.822 -0.259 1.00 . A W . 13 THR HG22 1 1 5 3136 1 1 13 THR HG23 H 2.636 7.555 -1.574 1.00 . A W . 13 THR HG23 1 1 5 3137 1 1 13 THR N N 2.863 8.813 -4.093 1.00 . A W . 13 THR N 1 1 5 3138 1 1 13 THR O O 4.383 10.876 -4.916 1.00 . A W . 13 THR O 1 1 5 3139 1 1 13 THR OG1 O 5.051 8.138 -2.575 1.00 . A W . 13 THR OG1 1 1 5 3140 1 1 14 ALA C C 6.516 12.718 -4.103 1.00 . A W . 14 ALA C 1 1 5 3141 1 1 14 ALA CA C 5.228 13.052 -3.348 1.00 . A W . 14 ALA CA 1 1 5 3142 1 1 14 ALA CB C 5.528 13.965 -2.166 1.00 . A W . 14 ALA CB 1 1 5 3143 1 1 14 ALA H H 4.343 11.757 -1.919 1.00 . A W . 14 ALA H 1 1 5 3144 1 1 14 ALA HA H 4.568 13.585 -4.017 1.00 . A W . 14 ALA HA 1 1 5 3145 1 1 14 ALA HB1 H 4.606 14.215 -1.666 1.00 . A W . 14 ALA HB1 1 1 5 3146 1 1 14 ALA HB2 H 6.005 14.870 -2.517 1.00 . A W . 14 ALA HB2 1 1 5 3147 1 1 14 ALA HB3 H 6.181 13.456 -1.474 1.00 . A W . 14 ALA HB3 1 1 5 3148 1 1 14 ALA N N 4.527 11.851 -2.883 1.00 . A W . 14 ALA N 1 1 5 3149 1 1 14 ALA O O 6.956 13.480 -4.963 1.00 . A W . 14 ALA O 1 1 5 3150 1 1 15 ASP C C 8.110 10.610 -5.824 1.00 . A W . 15 ASP C 1 1 5 3151 1 1 15 ASP CA C 8.351 11.149 -4.414 1.00 . A W . 15 ASP CA 1 1 5 3152 1 1 15 ASP CB C 9.043 10.079 -3.560 1.00 . A W . 15 ASP CB 1 1 5 3153 1 1 15 ASP CG C 10.233 9.444 -4.259 1.00 . A W . 15 ASP CG 1 1 5 3154 1 1 15 ASP H H 6.688 10.996 -3.109 1.00 . A W . 15 ASP H 1 1 5 3155 1 1 15 ASP HA H 8.993 12.011 -4.478 1.00 . A W . 15 ASP HA 1 1 5 3156 1 1 15 ASP HB2 H 9.392 10.530 -2.641 1.00 . A W . 15 ASP HB2 1 1 5 3157 1 1 15 ASP HB3 H 8.331 9.301 -3.324 1.00 . A W . 15 ASP HB3 1 1 5 3158 1 1 15 ASP N N 7.103 11.573 -3.782 1.00 . A W . 15 ASP N 1 1 5 3159 1 1 15 ASP O O 8.973 10.708 -6.697 1.00 . A W . 15 ASP O 1 1 5 3160 1 1 15 ASP OD1 O 11.285 10.104 -4.380 1.00 . A W . 15 ASP OD1 1 1 5 3161 1 1 15 ASP OD2 O 10.121 8.279 -4.683 1.00 . A W . 15 ASP OD2 1 1 5 3162 1 1 16 GLY C C 6.634 7.886 -7.111 1.00 . A W . 16 GLY C 1 1 5 3163 1 1 16 GLY CA C 6.643 9.389 -7.295 1.00 . A W . 16 GLY CA 1 1 5 3164 1 1 16 GLY H H 6.224 10.153 -5.367 1.00 . A W . 16 GLY H 1 1 5 3165 1 1 16 GLY HA2 H 5.678 9.708 -7.663 1.00 . A W . 16 GLY HA2 1 1 5 3166 1 1 16 GLY HA3 H 7.400 9.649 -8.021 1.00 . A W . 16 GLY HA3 1 1 5 3167 1 1 16 GLY N N 6.924 10.070 -6.048 1.00 . A W . 16 GLY N 1 1 5 3168 1 1 16 GLY O O 6.950 7.130 -8.030 1.00 . A W . 16 GLY O 1 1 5 3169 1 1 17 LYS C C 4.758 5.553 -5.719 1.00 . A W . 17 LYS C 1 1 5 3170 1 1 17 LYS CA C 6.189 6.044 -5.582 1.00 . A W . 17 LYS CA 1 1 5 3171 1 1 17 LYS CB C 6.682 5.793 -4.152 1.00 . A W . 17 LYS CB 1 1 5 3172 1 1 17 LYS CD C 8.921 4.741 -4.563 1.00 . A W . 17 LYS CD 1 1 5 3173 1 1 17 LYS CE C 10.428 4.895 -4.433 1.00 . A W . 17 LYS CE 1 1 5 3174 1 1 17 LYS CG C 8.184 5.931 -3.982 1.00 . A W . 17 LYS CG 1 1 5 3175 1 1 17 LYS H H 6.063 8.120 -5.215 1.00 . A W . 17 LYS H 1 1 5 3176 1 1 17 LYS HA H 6.815 5.502 -6.273 1.00 . A W . 17 LYS HA 1 1 5 3177 1 1 17 LYS HB2 H 6.198 6.498 -3.490 1.00 . A W . 17 LYS HB2 1 1 5 3178 1 1 17 LYS HB3 H 6.403 4.794 -3.856 1.00 . A W . 17 LYS HB3 1 1 5 3179 1 1 17 LYS HD2 H 8.621 3.852 -4.033 1.00 . A W . 17 LYS HD2 1 1 5 3180 1 1 17 LYS HD3 H 8.665 4.643 -5.609 1.00 . A W . 17 LYS HD3 1 1 5 3181 1 1 17 LYS HE2 H 10.658 5.168 -3.414 1.00 . A W . 17 LYS HE2 1 1 5 3182 1 1 17 LYS HE3 H 10.894 3.946 -4.663 1.00 . A W . 17 LYS HE3 1 1 5 3183 1 1 17 LYS HG2 H 8.513 6.827 -4.484 1.00 . A W . 17 LYS HG2 1 1 5 3184 1 1 17 LYS HG3 H 8.412 6.004 -2.928 1.00 . A W . 17 LYS HG3 1 1 5 3185 1 1 17 LYS HZ1 H 10.552 6.874 -5.118 1.00 . A W . 17 LYS HZ1 1 1 5 3186 1 1 17 LYS HZ2 H 10.763 5.702 -6.333 1.00 . A W . 17 LYS HZ2 1 1 5 3187 1 1 17 LYS HZ3 H 12.007 6.007 -5.227 1.00 . A W . 17 LYS HZ3 1 1 5 3188 1 1 17 LYS N N 6.273 7.461 -5.908 1.00 . A W . 17 LYS N 1 1 5 3189 1 1 17 LYS NZ N 10.973 5.939 -5.343 1.00 . A W . 17 LYS NZ 1 1 5 3190 1 1 17 LYS O O 3.844 6.099 -5.101 1.00 . A W . 17 LYS O 1 1 5 3191 1 1 18 THR C C 3.039 2.854 -5.682 1.00 . A W . 18 THR C 1 1 5 3192 1 1 18 THR CA C 3.268 3.927 -6.726 1.00 . A W . 18 THR CA 1 1 5 3193 1 1 18 THR CB C 3.120 3.307 -8.132 1.00 . A W . 18 THR CB 1 1 5 3194 1 1 18 THR CG2 C 1.815 2.527 -8.266 1.00 . A W . 18 THR CG2 1 1 5 3195 1 1 18 THR H H 5.335 4.179 -7.042 1.00 . A W . 18 THR H 1 1 5 3196 1 1 18 THR HA H 2.519 4.697 -6.608 1.00 . A W . 18 THR HA 1 1 5 3197 1 1 18 THR HB H 3.943 2.622 -8.289 1.00 . A W . 18 THR HB 1 1 5 3198 1 1 18 THR HG1 H 2.283 4.654 -9.315 1.00 . A W . 18 THR HG1 1 1 5 3199 1 1 18 THR HG21 H 0.980 3.175 -8.039 1.00 . A W . 18 THR HG21 1 1 5 3200 1 1 18 THR HG22 H 1.818 1.692 -7.578 1.00 . A W . 18 THR HG22 1 1 5 3201 1 1 18 THR HG23 H 1.717 2.160 -9.277 1.00 . A W . 18 THR HG23 1 1 5 3202 1 1 18 THR N N 4.572 4.536 -6.546 1.00 . A W . 18 THR N 1 1 5 3203 1 1 18 THR O O 3.660 1.789 -5.731 1.00 . A W . 18 THR O 1 1 5 3204 1 1 18 THR OG1 O 3.174 4.334 -9.134 1.00 . A W . 18 THR OG1 1 1 5 3205 1 1 19 TYR C C 0.343 1.866 -3.784 1.00 . A W . 19 TYR C 1 1 5 3206 1 1 19 TYR CA C 1.831 2.156 -3.721 1.00 . A W . 19 TYR CA 1 1 5 3207 1 1 19 TYR CB C 2.269 2.577 -2.311 1.00 . A W . 19 TYR CB 1 1 5 3208 1 1 19 TYR CD1 C 1.189 4.745 -1.576 1.00 . A W . 19 TYR CD1 1 1 5 3209 1 1 19 TYR CD2 C 0.480 2.736 -0.521 1.00 . A W . 19 TYR CD2 1 1 5 3210 1 1 19 TYR CE1 C 0.334 5.469 -0.766 1.00 . A W . 19 TYR CE1 1 1 5 3211 1 1 19 TYR CE2 C -0.368 3.448 0.293 1.00 . A W . 19 TYR CE2 1 1 5 3212 1 1 19 TYR CG C 1.275 3.368 -1.474 1.00 . A W . 19 TYR CG 1 1 5 3213 1 1 19 TYR CZ C -0.440 4.814 0.168 1.00 . A W . 19 TYR CZ 1 1 5 3214 1 1 19 TYR H H 1.791 4.044 -4.665 1.00 . A W . 19 TYR H 1 1 5 3215 1 1 19 TYR HA H 2.361 1.247 -3.979 1.00 . A W . 19 TYR HA 1 1 5 3216 1 1 19 TYR HB2 H 2.507 1.687 -1.753 1.00 . A W . 19 TYR HB2 1 1 5 3217 1 1 19 TYR HB3 H 3.167 3.175 -2.399 1.00 . A W . 19 TYR HB3 1 1 5 3218 1 1 19 TYR HD1 H 1.791 5.255 -2.314 1.00 . A W . 19 TYR HD1 1 1 5 3219 1 1 19 TYR HD2 H 0.523 1.661 -0.426 1.00 . A W . 19 TYR HD2 1 1 5 3220 1 1 19 TYR HE1 H 0.290 6.537 -0.858 1.00 . A W . 19 TYR HE1 1 1 5 3221 1 1 19 TYR HE2 H -0.967 2.930 1.028 1.00 . A W . 19 TYR HE2 1 1 5 3222 1 1 19 TYR HH H -1.238 5.184 1.883 1.00 . A W . 19 TYR HH 1 1 5 3223 1 1 19 TYR N N 2.191 3.147 -4.709 1.00 . A W . 19 TYR N 1 1 5 3224 1 1 19 TYR O O -0.414 2.571 -4.454 1.00 . A W . 19 TYR O 1 1 5 3225 1 1 19 TYR OH O -1.288 5.528 0.982 1.00 . A W . 19 TYR OH 1 1 5 3226 1 1 20 TYR C C -2.093 0.748 -1.769 1.00 . A W . 20 TYR C 1 1 5 3227 1 1 20 TYR CA C -1.446 0.409 -3.088 1.00 . A W . 20 TYR CA 1 1 5 3228 1 1 20 TYR CB C -1.553 -1.092 -3.369 1.00 . A W . 20 TYR CB 1 1 5 3229 1 1 20 TYR CD1 C 0.438 -1.552 -4.872 1.00 . A W . 20 TYR CD1 1 1 5 3230 1 1 20 TYR CD2 C -1.758 -1.792 -5.773 1.00 . A W . 20 TYR CD2 1 1 5 3231 1 1 20 TYR CE1 C 0.985 -1.902 -6.090 1.00 . A W . 20 TYR CE1 1 1 5 3232 1 1 20 TYR CE2 C -1.217 -2.145 -6.995 1.00 . A W . 20 TYR CE2 1 1 5 3233 1 1 20 TYR CG C -0.944 -1.490 -4.694 1.00 . A W . 20 TYR CG 1 1 5 3234 1 1 20 TYR CZ C 0.153 -2.199 -7.148 1.00 . A W . 20 TYR CZ 1 1 5 3235 1 1 20 TYR H H 0.585 0.340 -2.532 1.00 . A W . 20 TYR H 1 1 5 3236 1 1 20 TYR HA H -1.953 0.951 -3.875 1.00 . A W . 20 TYR HA 1 1 5 3237 1 1 20 TYR HB2 H -1.058 -1.642 -2.585 1.00 . A W . 20 TYR HB2 1 1 5 3238 1 1 20 TYR HB3 H -2.598 -1.370 -3.386 1.00 . A W . 20 TYR HB3 1 1 5 3239 1 1 20 TYR HD1 H 1.091 -1.319 -4.039 1.00 . A W . 20 TYR HD1 1 1 5 3240 1 1 20 TYR HD2 H -2.833 -1.752 -5.645 1.00 . A W . 20 TYR HD2 1 1 5 3241 1 1 20 TYR HE1 H 2.060 -1.948 -6.209 1.00 . A W . 20 TYR HE1 1 1 5 3242 1 1 20 TYR HE2 H -1.866 -2.375 -7.826 1.00 . A W . 20 TYR HE2 1 1 5 3243 1 1 20 TYR HH H 0.311 -2.010 -9.056 1.00 . A W . 20 TYR HH 1 1 5 3244 1 1 20 TYR N N -0.065 0.832 -3.082 1.00 . A W . 20 TYR N 1 1 5 3245 1 1 20 TYR O O -1.514 0.553 -0.695 1.00 . A W . 20 TYR O 1 1 5 3246 1 1 20 TYR OH O 0.693 -2.554 -8.364 1.00 . A W . 20 TYR OH 1 1 5 3247 1 1 21 TYR C C -5.205 0.776 -0.470 1.00 . A W . 21 TYR C 1 1 5 3248 1 1 21 TYR CA C -4.008 1.662 -0.675 1.00 . A W . 21 TYR CA 1 1 5 3249 1 1 21 TYR CB C -4.421 3.129 -0.829 1.00 . A W . 21 TYR CB 1 1 5 3250 1 1 21 TYR CD1 C -4.235 4.378 1.376 1.00 . A W . 21 TYR CD1 1 1 5 3251 1 1 21 TYR CD2 C -6.407 3.748 0.611 1.00 . A W . 21 TYR CD2 1 1 5 3252 1 1 21 TYR CE1 C -4.800 4.964 2.494 1.00 . A W . 21 TYR CE1 1 1 5 3253 1 1 21 TYR CE2 C -6.973 4.336 1.721 1.00 . A W . 21 TYR CE2 1 1 5 3254 1 1 21 TYR CG C -5.029 3.755 0.412 1.00 . A W . 21 TYR CG 1 1 5 3255 1 1 21 TYR CZ C -6.171 4.944 2.663 1.00 . A W . 21 TYR CZ 1 1 5 3256 1 1 21 TYR H H -3.754 1.247 -2.721 1.00 . A W . 21 TYR H 1 1 5 3257 1 1 21 TYR HA H -3.341 1.561 0.173 1.00 . A W . 21 TYR HA 1 1 5 3258 1 1 21 TYR HB2 H -3.557 3.713 -1.101 1.00 . A W . 21 TYR HB2 1 1 5 3259 1 1 21 TYR HB3 H -5.152 3.198 -1.623 1.00 . A W . 21 TYR HB3 1 1 5 3260 1 1 21 TYR HD1 H -3.159 4.394 1.248 1.00 . A W . 21 TYR HD1 1 1 5 3261 1 1 21 TYR HD2 H -7.040 3.267 -0.119 1.00 . A W . 21 TYR HD2 1 1 5 3262 1 1 21 TYR HE1 H -4.170 5.439 3.230 1.00 . A W . 21 TYR HE1 1 1 5 3263 1 1 21 TYR HE2 H -8.046 4.315 1.853 1.00 . A W . 21 TYR HE2 1 1 5 3264 1 1 21 TYR HH H -7.376 4.927 4.159 1.00 . A W . 21 TYR HH 1 1 5 3265 1 1 21 TYR N N -3.311 1.205 -1.847 1.00 . A W . 21 TYR N 1 1 5 3266 1 1 21 TYR O O -6.225 0.888 -1.148 1.00 . A W . 21 TYR O 1 1 5 3267 1 1 21 TYR OH O -6.739 5.535 3.768 1.00 . A W . 21 TYR OH 1 1 5 3268 1 1 22 ASN C C -7.275 -0.521 1.209 1.00 . A W . 22 ASN C 1 1 5 3269 1 1 22 ASN CA C -5.974 -1.167 0.771 1.00 . A W . 22 ASN CA 1 1 5 3270 1 1 22 ASN CB C -5.388 -2.034 1.906 1.00 . A W . 22 ASN CB 1 1 5 3271 1 1 22 ASN CG C -6.366 -2.991 2.568 1.00 . A W . 22 ASN CG 1 1 5 3272 1 1 22 ASN H H -4.151 -0.151 0.917 1.00 . A W . 22 ASN H 1 1 5 3273 1 1 22 ASN HA H -6.149 -1.780 -0.114 1.00 . A W . 22 ASN HA 1 1 5 3274 1 1 22 ASN HB2 H -4.577 -2.622 1.504 1.00 . A W . 22 ASN HB2 1 1 5 3275 1 1 22 ASN HB3 H -4.990 -1.378 2.670 1.00 . A W . 22 ASN HB3 1 1 5 3276 1 1 22 ASN HD21 H -5.387 -4.548 1.833 1.00 . A W . 22 ASN HD21 1 1 5 3277 1 1 22 ASN HD22 H -6.762 -4.918 2.810 1.00 . A W . 22 ASN HD22 1 1 5 3278 1 1 22 ASN N N -5.004 -0.156 0.431 1.00 . A W . 22 ASN N 1 1 5 3279 1 1 22 ASN ND2 N -6.152 -4.279 2.383 1.00 . A W . 22 ASN ND2 1 1 5 3280 1 1 22 ASN O O -7.352 0.100 2.271 1.00 . A W . 22 ASN O 1 1 5 3281 1 1 22 ASN OD1 O -7.260 -2.578 3.300 1.00 . A W . 22 ASN OD1 1 1 5 3282 1 1 23 ASN C C -10.321 -1.433 1.346 1.00 . A W . 23 ASN C 1 1 5 3283 1 1 23 ASN CA C -9.619 -0.239 0.735 1.00 . A W . 23 ASN CA 1 1 5 3284 1 1 23 ASN CB C -10.407 0.268 -0.482 1.00 . A W . 23 ASN CB 1 1 5 3285 1 1 23 ASN CG C -9.938 1.628 -0.960 1.00 . A W . 23 ASN CG 1 1 5 3286 1 1 23 ASN H H -8.113 -1.002 -0.533 1.00 . A W . 23 ASN H 1 1 5 3287 1 1 23 ASN HA H -9.545 0.548 1.471 1.00 . A W . 23 ASN HA 1 1 5 3288 1 1 23 ASN HB2 H -10.288 -0.434 -1.295 1.00 . A W . 23 ASN HB2 1 1 5 3289 1 1 23 ASN HB3 H -11.451 0.337 -0.223 1.00 . A W . 23 ASN HB3 1 1 5 3290 1 1 23 ASN HD21 H -10.444 1.174 -2.825 1.00 . A W . 23 ASN HD21 1 1 5 3291 1 1 23 ASN HD22 H -9.774 2.745 -2.589 1.00 . A W . 23 ASN HD22 1 1 5 3292 1 1 23 ASN N N -8.278 -0.636 0.366 1.00 . A W . 23 ASN N 1 1 5 3293 1 1 23 ASN ND2 N -10.065 1.873 -2.256 1.00 . A W . 23 ASN ND2 1 1 5 3294 1 1 23 ASN O O -11.504 -1.372 1.676 1.00 . A W . 23 ASN O 1 1 5 3295 1 1 23 ASN OD1 O -9.483 2.457 -0.175 1.00 . A W . 23 ASN OD1 1 1 5 3296 1 1 24 ARG C C -10.600 -3.605 3.434 1.00 . A W . 24 ARG C 1 1 5 3297 1 1 24 ARG CA C -10.103 -3.769 1.997 1.00 . A W . 24 ARG CA 1 1 5 3298 1 1 24 ARG CB C -9.082 -4.903 1.935 1.00 . A W . 24 ARG CB 1 1 5 3299 1 1 24 ARG CD C -10.820 -6.608 1.300 1.00 . A W . 24 ARG CD 1 1 5 3300 1 1 24 ARG CG C -9.685 -6.265 2.253 1.00 . A W . 24 ARG CG 1 1 5 3301 1 1 24 ARG CZ C -12.817 -8.023 1.439 1.00 . A W . 24 ARG CZ 1 1 5 3302 1 1 24 ARG H H -8.614 -2.475 1.262 1.00 . A W . 24 ARG H 1 1 5 3303 1 1 24 ARG HA H -10.910 -4.018 1.356 1.00 . A W . 24 ARG HA 1 1 5 3304 1 1 24 ARG HB2 H -8.661 -4.941 0.941 1.00 . A W . 24 ARG HB2 1 1 5 3305 1 1 24 ARG HB3 H -8.295 -4.704 2.645 1.00 . A W . 24 ARG HB3 1 1 5 3306 1 1 24 ARG HD2 H -11.535 -5.803 1.307 1.00 . A W . 24 ARG HD2 1 1 5 3307 1 1 24 ARG HD3 H -10.415 -6.716 0.305 1.00 . A W . 24 ARG HD3 1 1 5 3308 1 1 24 ARG HE H -10.991 -8.562 2.074 1.00 . A W . 24 ARG HE 1 1 5 3309 1 1 24 ARG HG2 H -8.916 -7.018 2.166 1.00 . A W . 24 ARG HG2 1 1 5 3310 1 1 24 ARG HG3 H -10.068 -6.252 3.263 1.00 . A W . 24 ARG HG3 1 1 5 3311 1 1 24 ARG HH11 H -13.104 -6.142 0.706 1.00 . A W . 24 ARG HH11 1 1 5 3312 1 1 24 ARG HH12 H -14.517 -7.157 0.754 1.00 . A W . 24 ARG HH12 1 1 5 3313 1 1 24 ARG HH21 H -12.840 -9.937 2.119 1.00 . A W . 24 ARG HH21 1 1 5 3314 1 1 24 ARG HH22 H -14.366 -9.327 1.570 1.00 . A W . 24 ARG HH22 1 1 5 3315 1 1 24 ARG N N -9.560 -2.523 1.498 1.00 . A W . 24 ARG N 1 1 5 3316 1 1 24 ARG NE N -11.519 -7.838 1.661 1.00 . A W . 24 ARG NE 1 1 5 3317 1 1 24 ARG NH1 N -13.539 -7.036 0.925 1.00 . A W . 24 ARG NH1 1 1 5 3318 1 1 24 ARG NH2 N -13.388 -9.191 1.730 1.00 . A W . 24 ARG NH2 1 1 5 3319 1 1 24 ARG O O -11.790 -3.740 3.722 1.00 . A W . 24 ARG O 1 1 5 3320 1 1 25 THR C C -9.290 -1.765 6.162 1.00 . A W . 25 THR C 1 1 5 3321 1 1 25 THR CA C -9.964 -3.063 5.725 1.00 . A W . 25 THR CA 1 1 5 3322 1 1 25 THR CB C -9.492 -4.236 6.613 1.00 . A W . 25 THR CB 1 1 5 3323 1 1 25 THR CG2 C -10.428 -5.430 6.474 1.00 . A W . 25 THR CG2 1 1 5 3324 1 1 25 THR H H -8.729 -3.241 4.028 1.00 . A W . 25 THR H 1 1 5 3325 1 1 25 THR HA H -11.035 -2.960 5.826 1.00 . A W . 25 THR HA 1 1 5 3326 1 1 25 THR HB H -9.499 -3.913 7.643 1.00 . A W . 25 THR HB 1 1 5 3327 1 1 25 THR HG1 H -7.683 -4.933 7.056 1.00 . A W . 25 THR HG1 1 1 5 3328 1 1 25 THR HG21 H -11.412 -5.159 6.828 1.00 . A W . 25 THR HG21 1 1 5 3329 1 1 25 THR HG22 H -10.050 -6.258 7.058 1.00 . A W . 25 THR HG22 1 1 5 3330 1 1 25 THR HG23 H -10.487 -5.722 5.435 1.00 . A W . 25 THR HG23 1 1 5 3331 1 1 25 THR N N -9.666 -3.310 4.326 1.00 . A W . 25 THR N 1 1 5 3332 1 1 25 THR O O -9.092 -1.517 7.352 1.00 . A W . 25 THR O 1 1 5 3333 1 1 25 THR OG1 O -8.151 -4.625 6.258 1.00 . A W . 25 THR OG1 1 1 5 3334 1 1 26 LEU C C -6.809 0.034 5.788 1.00 . A W . 26 LEU C 1 1 5 3335 1 1 26 LEU CA C -8.248 0.315 5.342 1.00 . A W . 26 LEU CA 1 1 5 3336 1 1 26 LEU CB C -8.968 1.250 6.324 1.00 . A W . 26 LEU CB 1 1 5 3337 1 1 26 LEU CD1 C -7.392 3.224 6.225 1.00 . A W . 26 LEU CD1 1 1 5 3338 1 1 26 LEU CD2 C -9.324 3.066 4.628 1.00 . A W . 26 LEU CD2 1 1 5 3339 1 1 26 LEU CG C -8.830 2.750 6.034 1.00 . A W . 26 LEU CG 1 1 5 3340 1 1 26 LEU H H -9.245 -1.177 4.258 1.00 . A W . 26 LEU H 1 1 5 3341 1 1 26 LEU HA H -8.209 0.800 4.372 1.00 . A W . 26 LEU HA 1 1 5 3342 1 1 26 LEU HB2 H -10.019 1.003 6.314 1.00 . A W . 26 LEU HB2 1 1 5 3343 1 1 26 LEU HB3 H -8.582 1.062 7.314 1.00 . A W . 26 LEU HB3 1 1 5 3344 1 1 26 LEU HD11 H -7.324 4.278 6.000 1.00 . A W . 26 LEU HD11 1 1 5 3345 1 1 26 LEU HD12 H -6.740 2.673 5.564 1.00 . A W . 26 LEU HD12 1 1 5 3346 1 1 26 LEU HD13 H -7.092 3.054 7.249 1.00 . A W . 26 LEU HD13 1 1 5 3347 1 1 26 LEU HD21 H -10.358 2.762 4.533 1.00 . A W . 26 LEU HD21 1 1 5 3348 1 1 26 LEU HD22 H -8.723 2.534 3.905 1.00 . A W . 26 LEU HD22 1 1 5 3349 1 1 26 LEU HD23 H -9.246 4.127 4.450 1.00 . A W . 26 LEU HD23 1 1 5 3350 1 1 26 LEU HG H -9.449 3.292 6.727 1.00 . A W . 26 LEU HG 1 1 5 3351 1 1 26 LEU N N -8.974 -0.935 5.162 1.00 . A W . 26 LEU N 1 1 5 3352 1 1 26 LEU O O -6.498 0.003 6.980 1.00 . A W . 26 LEU O 1 1 5 3353 1 1 27 GLU C C -3.715 0.189 3.946 1.00 . A W . 27 GLU C 1 1 5 3354 1 1 27 GLU CA C -4.543 -0.478 5.038 1.00 . A W . 27 GLU CA 1 1 5 3355 1 1 27 GLU CB C -4.277 -1.995 5.043 1.00 . A W . 27 GLU CB 1 1 5 3356 1 1 27 GLU CD C -2.245 -1.935 6.563 1.00 . A W . 27 GLU CD 1 1 5 3357 1 1 27 GLU CG C -2.809 -2.374 5.226 1.00 . A W . 27 GLU CG 1 1 5 3358 1 1 27 GLU H H -6.284 -0.176 3.879 1.00 . A W . 27 GLU H 1 1 5 3359 1 1 27 GLU HA H -4.270 -0.064 5.998 1.00 . A W . 27 GLU HA 1 1 5 3360 1 1 27 GLU HB2 H -4.844 -2.448 5.840 1.00 . A W . 27 GLU HB2 1 1 5 3361 1 1 27 GLU HB3 H -4.614 -2.408 4.101 1.00 . A W . 27 GLU HB3 1 1 5 3362 1 1 27 GLU HG2 H -2.707 -3.446 5.145 1.00 . A W . 27 GLU HG2 1 1 5 3363 1 1 27 GLU HG3 H -2.234 -1.902 4.438 1.00 . A W . 27 GLU HG3 1 1 5 3364 1 1 27 GLU N N -5.954 -0.201 4.805 1.00 . A W . 27 GLU N 1 1 5 3365 1 1 27 GLU O O -4.241 0.566 2.902 1.00 . A W . 27 GLU O 1 1 5 3366 1 1 27 GLU OE1 O -2.041 -0.717 6.752 1.00 . A W . 27 GLU OE1 1 1 5 3367 1 1 27 GLU OE2 O -2.012 -2.805 7.430 1.00 . A W . 27 GLU OE2 1 1 5 3368 1 1 28 SER C C -0.486 -0.212 2.853 1.00 . A W . 28 SER C 1 1 5 3369 1 1 28 SER CA C -1.532 0.857 3.179 1.00 . A W . 28 SER CA 1 1 5 3370 1 1 28 SER CB C -0.867 2.138 3.660 1.00 . A W . 28 SER CB 1 1 5 3371 1 1 28 SER H H -2.099 0.189 5.106 1.00 . A W . 28 SER H 1 1 5 3372 1 1 28 SER HA H -2.112 1.065 2.287 1.00 . A W . 28 SER HA 1 1 5 3373 1 1 28 SER HB2 H -0.641 2.039 4.706 1.00 . A W . 28 SER HB2 1 1 5 3374 1 1 28 SER HB3 H 0.049 2.303 3.124 1.00 . A W . 28 SER HB3 1 1 5 3375 1 1 28 SER HG H -2.623 2.939 3.351 1.00 . A W . 28 SER HG 1 1 5 3376 1 1 28 SER N N -2.445 0.386 4.200 1.00 . A W . 28 SER N 1 1 5 3377 1 1 28 SER O O 0.003 -0.889 3.752 1.00 . A W . 28 SER O 1 1 5 3378 1 1 28 SER OG O -1.722 3.253 3.494 1.00 . A W . 28 SER OG 1 1 5 3379 1 1 29 THR C C 1.705 -0.771 0.011 1.00 . A W . 29 THR C 1 1 5 3380 1 1 29 THR CA C 0.895 -1.318 1.187 1.00 . A W . 29 THR CA 1 1 5 3381 1 1 29 THR CB C 0.305 -2.726 0.865 1.00 . A W . 29 THR CB 1 1 5 3382 1 1 29 THR CG2 C -0.948 -2.642 -0.010 1.00 . A W . 29 THR CG2 1 1 5 3383 1 1 29 THR H H -0.593 0.166 0.884 1.00 . A W . 29 THR H 1 1 5 3384 1 1 29 THR HA H 1.557 -1.423 2.030 1.00 . A W . 29 THR HA 1 1 5 3385 1 1 29 THR HB H 0.027 -3.191 1.801 1.00 . A W . 29 THR HB 1 1 5 3386 1 1 29 THR HG1 H 1.308 -3.389 -0.721 1.00 . A W . 29 THR HG1 1 1 5 3387 1 1 29 THR HG21 H -0.673 -2.314 -0.999 1.00 . A W . 29 THR HG21 1 1 5 3388 1 1 29 THR HG22 H -1.644 -1.940 0.425 1.00 . A W . 29 THR HG22 1 1 5 3389 1 1 29 THR HG23 H -1.418 -3.620 -0.069 1.00 . A W . 29 THR HG23 1 1 5 3390 1 1 29 THR N N -0.145 -0.368 1.579 1.00 . A W . 29 THR N 1 1 5 3391 1 1 29 THR O O 1.143 -0.229 -0.925 1.00 . A W . 29 THR O 1 1 5 3392 1 1 29 THR OG1 O 1.295 -3.556 0.233 1.00 . A W . 29 THR OG1 1 1 5 3393 1 1 30 TRP C C 3.743 -1.029 -2.282 1.00 . A W . 30 TRP C 1 1 5 3394 1 1 30 TRP CA C 3.899 -0.314 -0.948 1.00 . A W . 30 TRP CA 1 1 5 3395 1 1 30 TRP CB C 5.365 -0.381 -0.515 1.00 . A W . 30 TRP CB 1 1 5 3396 1 1 30 TRP CD1 C 5.734 0.343 1.908 1.00 . A W . 30 TRP CD1 1 1 5 3397 1 1 30 TRP CD2 C 6.176 1.926 0.414 1.00 . A W . 30 TRP CD2 1 1 5 3398 1 1 30 TRP CE2 C 6.441 2.429 1.702 1.00 . A W . 30 TRP CE2 1 1 5 3399 1 1 30 TRP CE3 C 6.366 2.758 -0.685 1.00 . A W . 30 TRP CE3 1 1 5 3400 1 1 30 TRP CG C 5.739 0.578 0.571 1.00 . A W . 30 TRP CG 1 1 5 3401 1 1 30 TRP CH2 C 7.072 4.512 0.837 1.00 . A W . 30 TRP CH2 1 1 5 3402 1 1 30 TRP CZ2 C 6.891 3.716 1.923 1.00 . A W . 30 TRP CZ2 1 1 5 3403 1 1 30 TRP CZ3 C 6.815 4.050 -0.465 1.00 . A W . 30 TRP CZ3 1 1 5 3404 1 1 30 TRP H H 3.424 -1.430 0.793 1.00 . A W . 30 TRP H 1 1 5 3405 1 1 30 TRP HA H 3.616 0.722 -1.073 1.00 . A W . 30 TRP HA 1 1 5 3406 1 1 30 TRP HB2 H 5.573 -1.375 -0.155 1.00 . A W . 30 TRP HB2 1 1 5 3407 1 1 30 TRP HB3 H 5.992 -0.179 -1.370 1.00 . A W . 30 TRP HB3 1 1 5 3408 1 1 30 TRP HD1 H 5.428 -0.570 2.351 1.00 . A W . 30 TRP HD1 1 1 5 3409 1 1 30 TRP HE1 H 6.265 1.512 3.566 1.00 . A W . 30 TRP HE1 1 1 5 3410 1 1 30 TRP HE3 H 6.161 2.409 -1.687 1.00 . A W . 30 TRP HE3 1 1 5 3411 1 1 30 TRP HH2 H 7.399 5.521 0.973 1.00 . A W . 30 TRP HH2 1 1 5 3412 1 1 30 TRP HZ2 H 7.096 4.085 2.914 1.00 . A W . 30 TRP HZ2 1 1 5 3413 1 1 30 TRP HZ3 H 6.969 4.717 -1.301 1.00 . A W . 30 TRP HZ3 1 1 5 3414 1 1 30 TRP N N 3.028 -0.909 0.066 1.00 . A W . 30 TRP N 1 1 5 3415 1 1 30 TRP NE1 N 6.172 1.443 2.591 1.00 . A W . 30 TRP NE1 1 1 5 3416 1 1 30 TRP O O 3.183 -0.478 -3.228 1.00 . A W . 30 TRP O 1 1 5 3417 1 1 31 GLU C C 2.829 -3.763 -3.670 1.00 . A W . 31 GLU C 1 1 5 3418 1 1 31 GLU CA C 4.146 -3.011 -3.584 1.00 . A W . 31 GLU CA 1 1 5 3419 1 1 31 GLU CB C 5.314 -3.988 -3.731 1.00 . A W . 31 GLU CB 1 1 5 3420 1 1 31 GLU CD C 7.164 -2.951 -2.325 1.00 . A W . 31 GLU CD 1 1 5 3421 1 1 31 GLU CG C 6.682 -3.326 -3.715 1.00 . A W . 31 GLU CG 1 1 5 3422 1 1 31 GLU H H 4.671 -2.649 -1.574 1.00 . A W . 31 GLU H 1 1 5 3423 1 1 31 GLU HA H 4.186 -2.303 -4.396 1.00 . A W . 31 GLU HA 1 1 5 3424 1 1 31 GLU HB2 H 5.271 -4.711 -2.928 1.00 . A W . 31 GLU HB2 1 1 5 3425 1 1 31 GLU HB3 H 5.205 -4.504 -4.673 1.00 . A W . 31 GLU HB3 1 1 5 3426 1 1 31 GLU HG2 H 7.398 -4.003 -4.157 1.00 . A W . 31 GLU HG2 1 1 5 3427 1 1 31 GLU HG3 H 6.624 -2.428 -4.311 1.00 . A W . 31 GLU HG3 1 1 5 3428 1 1 31 GLU N N 4.232 -2.253 -2.356 1.00 . A W . 31 GLU N 1 1 5 3429 1 1 31 GLU O O 1.966 -3.650 -2.790 1.00 . A W . 31 GLU O 1 1 5 3430 1 1 31 GLU OE1 O 6.564 -3.414 -1.330 1.00 . A W . 31 GLU OE1 1 1 5 3431 1 1 31 GLU OE2 O 8.148 -2.187 -2.223 1.00 . A W . 31 GLU OE2 1 1 5 3432 1 1 32 LYS C C 1.178 -6.348 -4.043 1.00 . A W . 32 LYS C 1 1 5 3433 1 1 32 LYS CA C 1.450 -5.222 -5.036 1.00 . A W . 32 LYS CA 1 1 5 3434 1 1 32 LYS CB C 1.478 -5.772 -6.469 1.00 . A W . 32 LYS CB 1 1 5 3435 1 1 32 LYS CD C 2.532 -7.316 -8.147 1.00 . A W . 32 LYS CD 1 1 5 3436 1 1 32 LYS CE C 3.389 -8.556 -8.347 1.00 . A W . 32 LYS CE 1 1 5 3437 1 1 32 LYS CG C 2.498 -6.878 -6.692 1.00 . A W . 32 LYS CG 1 1 5 3438 1 1 32 LYS H H 3.443 -4.644 -5.345 1.00 . A W . 32 LYS H 1 1 5 3439 1 1 32 LYS HA H 0.652 -4.499 -4.962 1.00 . A W . 32 LYS HA 1 1 5 3440 1 1 32 LYS HB2 H 0.502 -6.164 -6.705 1.00 . A W . 32 LYS HB2 1 1 5 3441 1 1 32 LYS HB3 H 1.702 -4.962 -7.149 1.00 . A W . 32 LYS HB3 1 1 5 3442 1 1 32 LYS HD2 H 1.527 -7.537 -8.470 1.00 . A W . 32 LYS HD2 1 1 5 3443 1 1 32 LYS HD3 H 2.935 -6.510 -8.744 1.00 . A W . 32 LYS HD3 1 1 5 3444 1 1 32 LYS HE2 H 2.931 -9.382 -7.823 1.00 . A W . 32 LYS HE2 1 1 5 3445 1 1 32 LYS HE3 H 3.430 -8.780 -9.401 1.00 . A W . 32 LYS HE3 1 1 5 3446 1 1 32 LYS HG2 H 3.475 -6.521 -6.412 1.00 . A W . 32 LYS HG2 1 1 5 3447 1 1 32 LYS HG3 H 2.235 -7.727 -6.079 1.00 . A W . 32 LYS HG3 1 1 5 3448 1 1 32 LYS HZ1 H 5.382 -9.156 -8.168 1.00 . A W . 32 LYS HZ1 1 1 5 3449 1 1 32 LYS HZ2 H 4.771 -8.376 -6.792 1.00 . A W . 32 LYS HZ2 1 1 5 3450 1 1 32 LYS HZ3 H 5.170 -7.474 -8.172 1.00 . A W . 32 LYS HZ3 1 1 5 3451 1 1 32 LYS N N 2.687 -4.534 -4.738 1.00 . A W . 32 LYS N 1 1 5 3452 1 1 32 LYS NZ N 4.773 -8.379 -7.835 1.00 . A W . 32 LYS NZ 1 1 5 3453 1 1 32 LYS O O 2.099 -6.979 -3.521 1.00 . A W . 32 LYS O 1 1 5 3454 1 1 33 PRO C C -0.260 -9.062 -3.493 1.00 . A W . 33 PRO C 1 1 5 3455 1 1 33 PRO CA C -0.567 -7.686 -2.912 1.00 . A W . 33 PRO CA 1 1 5 3456 1 1 33 PRO CB C -2.088 -7.475 -2.885 1.00 . A W . 33 PRO CB 1 1 5 3457 1 1 33 PRO CD C -1.222 -5.727 -4.189 1.00 . A W . 33 PRO CD 1 1 5 3458 1 1 33 PRO CG C -2.259 -6.033 -3.157 1.00 . A W . 33 PRO CG 1 1 5 3459 1 1 33 PRO HA H -0.169 -7.612 -1.914 1.00 . A W . 33 PRO HA 1 1 5 3460 1 1 33 PRO HB2 H -2.548 -8.071 -3.669 1.00 . A W . 33 PRO HB2 1 1 5 3461 1 1 33 PRO HB3 H -2.486 -7.748 -1.917 1.00 . A W . 33 PRO HB3 1 1 5 3462 1 1 33 PRO HD2 H -1.574 -5.995 -5.176 1.00 . A W . 33 PRO HD2 1 1 5 3463 1 1 33 PRO HD3 H -0.946 -4.683 -4.151 1.00 . A W . 33 PRO HD3 1 1 5 3464 1 1 33 PRO HG2 H -3.250 -5.841 -3.542 1.00 . A W . 33 PRO HG2 1 1 5 3465 1 1 33 PRO HG3 H -2.081 -5.463 -2.262 1.00 . A W . 33 PRO HG3 1 1 5 3466 1 1 33 PRO N N -0.108 -6.585 -3.770 1.00 . A W . 33 PRO N 1 1 5 3467 1 1 33 PRO O O 0.026 -9.203 -4.679 1.00 . A W . 33 PRO O 1 1 5 3468 1 1 34 GLN C C -1.002 -12.041 -3.970 1.00 . A W . 34 GLN C 1 1 5 3469 1 1 34 GLN CA C 0.024 -11.439 -3.014 1.00 . A W . 34 GLN CA 1 1 5 3470 1 1 34 GLN CB C 0.143 -12.310 -1.758 1.00 . A W . 34 GLN CB 1 1 5 3471 1 1 34 GLN CD C 2.594 -11.931 -1.256 1.00 . A W . 34 GLN CD 1 1 5 3472 1 1 34 GLN CG C 1.167 -11.797 -0.756 1.00 . A W . 34 GLN CG 1 1 5 3473 1 1 34 GLN H H -0.667 -9.899 -1.726 1.00 . A W . 34 GLN H 1 1 5 3474 1 1 34 GLN HA H 0.982 -11.405 -3.511 1.00 . A W . 34 GLN HA 1 1 5 3475 1 1 34 GLN HB2 H -0.821 -12.354 -1.268 1.00 . A W . 34 GLN HB2 1 1 5 3476 1 1 34 GLN HB3 H 0.429 -13.306 -2.055 1.00 . A W . 34 GLN HB3 1 1 5 3477 1 1 34 GLN HE21 H 3.122 -10.278 -0.289 1.00 . A W . 34 GLN HE21 1 1 5 3478 1 1 34 GLN HE22 H 4.378 -11.066 -1.176 1.00 . A W . 34 GLN HE22 1 1 5 3479 1 1 34 GLN HG2 H 0.967 -10.752 -0.560 1.00 . A W . 34 GLN HG2 1 1 5 3480 1 1 34 GLN HG3 H 1.065 -12.359 0.161 1.00 . A W . 34 GLN HG3 1 1 5 3481 1 1 34 GLN N N -0.341 -10.075 -2.640 1.00 . A W . 34 GLN N 1 1 5 3482 1 1 34 GLN NE2 N 3.450 -10.999 -0.868 1.00 . A W . 34 GLN NE2 1 1 5 3483 1 1 34 GLN O O -0.680 -12.913 -4.777 1.00 . A W . 34 GLN O 1 1 5 3484 1 1 34 GLN OE1 O 2.918 -12.861 -1.994 1.00 . A W . 34 GLN OE1 1 1 5 3485 1 1 35 GLU C C -3.427 -11.204 -5.979 1.00 . A W . 35 GLU C 1 1 5 3486 1 1 35 GLU CA C -3.319 -12.052 -4.714 1.00 . A W . 35 GLU CA 1 1 5 3487 1 1 35 GLU CB C -4.634 -12.017 -3.930 1.00 . A W . 35 GLU CB 1 1 5 3488 1 1 35 GLU CD C -6.289 -10.122 -4.187 1.00 . A W . 35 GLU CD 1 1 5 3489 1 1 35 GLU CG C -5.043 -10.622 -3.480 1.00 . A W . 35 GLU CG 1 1 5 3490 1 1 35 GLU H H -2.423 -10.873 -3.202 1.00 . A W . 35 GLU H 1 1 5 3491 1 1 35 GLU HA H -3.099 -13.070 -4.990 1.00 . A W . 35 GLU HA 1 1 5 3492 1 1 35 GLU HB2 H -5.423 -12.418 -4.551 1.00 . A W . 35 GLU HB2 1 1 5 3493 1 1 35 GLU HB3 H -4.533 -12.639 -3.052 1.00 . A W . 35 GLU HB3 1 1 5 3494 1 1 35 GLU HG2 H -5.231 -10.639 -2.417 1.00 . A W . 35 GLU HG2 1 1 5 3495 1 1 35 GLU HG3 H -4.233 -9.938 -3.691 1.00 . A W . 35 GLU HG3 1 1 5 3496 1 1 35 GLU N N -2.235 -11.568 -3.867 1.00 . A W . 35 GLU N 1 1 5 3497 1 1 35 GLU O O -3.974 -11.638 -6.993 1.00 . A W . 35 GLU O 1 1 5 3498 1 1 35 GLU OE1 O -6.883 -10.895 -4.968 1.00 . A W . 35 GLU OE1 1 1 5 3499 1 1 35 GLU OE2 O -6.684 -8.963 -3.954 1.00 . A W . 35 GLU OE2 1 1 5 3500 1 1 36 LEU C C -1.791 -9.065 -7.903 1.00 . A W . 36 LEU C 1 1 5 3501 1 1 36 LEU CA C -3.017 -9.038 -6.983 1.00 . A W . 36 LEU CA 1 1 5 3502 1 1 36 LEU CB C -3.296 -7.648 -6.373 1.00 . A W . 36 LEU CB 1 1 5 3503 1 1 36 LEU CD1 C -3.831 -6.568 -8.589 1.00 . A W . 36 LEU CD1 1 1 5 3504 1 1 36 LEU CD2 C -3.471 -5.152 -6.558 1.00 . A W . 36 LEU CD2 1 1 5 3505 1 1 36 LEU CG C -3.066 -6.436 -7.276 1.00 . A W . 36 LEU CG 1 1 5 3506 1 1 36 LEU H H -2.347 -9.763 -5.128 1.00 . A W . 36 LEU H 1 1 5 3507 1 1 36 LEU HA H -3.878 -9.332 -7.569 1.00 . A W . 36 LEU HA 1 1 5 3508 1 1 36 LEU HB2 H -4.329 -7.630 -6.060 1.00 . A W . 36 LEU HB2 1 1 5 3509 1 1 36 LEU HB3 H -2.679 -7.534 -5.492 1.00 . A W . 36 LEU HB3 1 1 5 3510 1 1 36 LEU HD11 H -4.887 -6.677 -8.383 1.00 . A W . 36 LEU HD11 1 1 5 3511 1 1 36 LEU HD12 H -3.479 -7.436 -9.128 1.00 . A W . 36 LEU HD12 1 1 5 3512 1 1 36 LEU HD13 H -3.672 -5.684 -9.188 1.00 . A W . 36 LEU HD13 1 1 5 3513 1 1 36 LEU HD21 H -4.529 -5.182 -6.331 1.00 . A W . 36 LEU HD21 1 1 5 3514 1 1 36 LEU HD22 H -3.262 -4.303 -7.190 1.00 . A W . 36 LEU HD22 1 1 5 3515 1 1 36 LEU HD23 H -2.917 -5.060 -5.634 1.00 . A W . 36 LEU HD23 1 1 5 3516 1 1 36 LEU HG H -2.014 -6.375 -7.496 1.00 . A W . 36 LEU HG 1 1 5 3517 1 1 36 LEU N N -2.878 -10.003 -5.912 1.00 . A W . 36 LEU N 1 1 5 3518 1 1 36 LEU O O -0.730 -8.537 -7.573 1.00 . A W . 36 LEU O 1 1 5 3519 1 1 37 LYS C C 0.074 -10.956 -9.694 1.00 . A W . 37 LYS C 1 1 5 3520 1 1 37 LYS CA C -0.951 -9.899 -10.089 1.00 . A W . 37 LYS CA 1 1 5 3521 1 1 37 LYS CB C -0.252 -8.582 -10.439 1.00 . A W . 37 LYS CB 1 1 5 3522 1 1 37 LYS CD C -0.380 -6.419 -11.711 1.00 . A W . 37 LYS CD 1 1 5 3523 1 1 37 LYS CE C 0.484 -6.903 -12.865 1.00 . A W . 37 LYS CE 1 1 5 3524 1 1 37 LYS CG C -1.170 -7.559 -11.091 1.00 . A W . 37 LYS CG 1 1 5 3525 1 1 37 LYS H H -2.850 -10.142 -9.201 1.00 . A W . 37 LYS H 1 1 5 3526 1 1 37 LYS HA H -1.462 -10.253 -10.976 1.00 . A W . 37 LYS HA 1 1 5 3527 1 1 37 LYS HB2 H 0.148 -8.150 -9.532 1.00 . A W . 37 LYS HB2 1 1 5 3528 1 1 37 LYS HB3 H 0.563 -8.788 -11.119 1.00 . A W . 37 LYS HB3 1 1 5 3529 1 1 37 LYS HD2 H -1.066 -5.673 -12.078 1.00 . A W . 37 LYS HD2 1 1 5 3530 1 1 37 LYS HD3 H 0.257 -5.987 -10.955 1.00 . A W . 37 LYS HD3 1 1 5 3531 1 1 37 LYS HE2 H 1.047 -6.067 -13.249 1.00 . A W . 37 LYS HE2 1 1 5 3532 1 1 37 LYS HE3 H 1.163 -7.657 -12.495 1.00 . A W . 37 LYS HE3 1 1 5 3533 1 1 37 LYS HG2 H -1.745 -8.048 -11.866 1.00 . A W . 37 LYS HG2 1 1 5 3534 1 1 37 LYS HG3 H -1.835 -7.160 -10.340 1.00 . A W . 37 LYS HG3 1 1 5 3535 1 1 37 LYS HZ1 H 0.270 -7.666 -14.801 1.00 . A W . 37 LYS HZ1 1 1 5 3536 1 1 37 LYS HZ2 H -1.089 -6.820 -14.244 1.00 . A W . 37 LYS HZ2 1 1 5 3537 1 1 37 LYS HZ3 H -0.763 -8.385 -13.668 1.00 . A W . 37 LYS HZ3 1 1 5 3538 1 1 37 LYS N N -1.976 -9.727 -9.053 1.00 . A W . 37 LYS N 1 1 5 3539 1 1 37 LYS NZ N -0.331 -7.484 -13.968 1.00 . A W . 37 LYS NZ 1 1 5 3540 1 1 37 LYS O O 1.183 -10.600 -9.255 1.00 . A W . 37 LYS O 1 1 5 3541 1 1 37 LYS OXT O -0.230 -12.158 -9.860 1.00 . A W . 37 LYS OXT 1 1 5 3542 2 2 1 PRO C C -2.056 14.127 0.852 1.00 . B P . 101 PRO C 1 1 5 3543 2 2 1 PRO CA C -1.805 15.634 0.882 1.00 . B P . 101 PRO CA 1 1 5 3544 2 2 1 PRO CB C -1.344 16.050 2.270 1.00 . B P . 101 PRO CB 1 1 5 3545 2 2 1 PRO CD C -3.209 17.400 1.597 1.00 . B P . 101 PRO CD 1 1 5 3546 2 2 1 PRO CG C -2.491 16.832 2.801 1.00 . B P . 101 PRO CG 1 1 5 3547 2 2 1 PRO H2 H -3.775 15.667 0.435 1.00 . B P . 101 PRO H2 1 1 5 3548 2 2 1 PRO H3 H -2.871 16.704 -0.452 1.00 . B P . 101 PRO H3 1 1 5 3549 2 2 1 PRO HA H -1.038 15.884 0.164 1.00 . B P . 101 PRO HA 1 1 5 3550 2 2 1 PRO HB2 H -1.151 15.171 2.863 1.00 . B P . 101 PRO HB2 1 1 5 3551 2 2 1 PRO HB3 H -0.451 16.652 2.201 1.00 . B P . 101 PRO HB3 1 1 5 3552 2 2 1 PRO HD2 H -4.260 17.539 1.819 1.00 . B P . 101 PRO HD2 1 1 5 3553 2 2 1 PRO HD3 H -2.760 18.338 1.305 1.00 . B P . 101 PRO HD3 1 1 5 3554 2 2 1 PRO HG2 H -3.152 16.185 3.358 1.00 . B P . 101 PRO HG2 1 1 5 3555 2 2 1 PRO HG3 H -2.130 17.632 3.432 1.00 . B P . 101 PRO HG3 1 1 5 3556 2 2 1 PRO N N -3.031 16.384 0.536 1.00 . B P . 101 PRO N 1 1 5 3557 2 2 1 PRO O O -3.005 13.640 1.462 1.00 . B P . 101 PRO O 1 1 5 3558 2 2 2 PRO C C -0.704 11.292 1.366 1.00 . B P . 102 PRO C 1 1 5 3559 2 2 2 PRO CA C -1.290 11.911 0.097 1.00 . B P . 102 PRO CA 1 1 5 3560 2 2 2 PRO CB C -0.443 11.529 -1.130 1.00 . B P . 102 PRO CB 1 1 5 3561 2 2 2 PRO CD C -0.110 13.867 -0.689 1.00 . B P . 102 PRO CD 1 1 5 3562 2 2 2 PRO CG C -0.012 12.820 -1.759 1.00 . B P . 102 PRO CG 1 1 5 3563 2 2 2 PRO HA H -2.308 11.575 -0.039 1.00 . B P . 102 PRO HA 1 1 5 3564 2 2 2 PRO HB2 H 0.412 10.953 -0.808 1.00 . B P . 102 PRO HB2 1 1 5 3565 2 2 2 PRO HB3 H -1.039 10.942 -1.811 1.00 . B P . 102 PRO HB3 1 1 5 3566 2 2 2 PRO HD2 H 0.810 13.919 -0.125 1.00 . B P . 102 PRO HD2 1 1 5 3567 2 2 2 PRO HD3 H -0.351 14.828 -1.115 1.00 . B P . 102 PRO HD3 1 1 5 3568 2 2 2 PRO HG2 H 1.010 12.736 -2.101 1.00 . B P . 102 PRO HG2 1 1 5 3569 2 2 2 PRO HG3 H -0.665 13.063 -2.584 1.00 . B P . 102 PRO HG3 1 1 5 3570 2 2 2 PRO N N -1.210 13.371 0.139 1.00 . B P . 102 PRO N 1 1 5 3571 2 2 2 PRO O O 0.201 11.867 1.973 1.00 . B P . 102 PRO O 1 1 5 3572 2 2 3 PRO C C 0.572 8.736 2.811 1.00 . B P . 103 PRO C 1 1 5 3573 2 2 3 PRO CA C -0.745 9.476 3.022 1.00 . B P . 103 PRO CA 1 1 5 3574 2 2 3 PRO CB C -1.867 8.468 3.345 1.00 . B P . 103 PRO CB 1 1 5 3575 2 2 3 PRO CD C -2.308 9.387 1.182 1.00 . B P . 103 PRO CD 1 1 5 3576 2 2 3 PRO CG C -2.962 8.741 2.366 1.00 . B P . 103 PRO CG 1 1 5 3577 2 2 3 PRO HA H -0.639 10.176 3.838 1.00 . B P . 103 PRO HA 1 1 5 3578 2 2 3 PRO HB2 H -1.490 7.458 3.231 1.00 . B P . 103 PRO HB2 1 1 5 3579 2 2 3 PRO HB3 H -2.203 8.614 4.360 1.00 . B P . 103 PRO HB3 1 1 5 3580 2 2 3 PRO HD2 H -1.928 8.639 0.502 1.00 . B P . 103 PRO HD2 1 1 5 3581 2 2 3 PRO HD3 H -2.997 10.050 0.679 1.00 . B P . 103 PRO HD3 1 1 5 3582 2 2 3 PRO HG2 H -3.429 7.814 2.073 1.00 . B P . 103 PRO HG2 1 1 5 3583 2 2 3 PRO HG3 H -3.691 9.407 2.804 1.00 . B P . 103 PRO HG3 1 1 5 3584 2 2 3 PRO N N -1.222 10.136 1.806 1.00 . B P . 103 PRO N 1 1 5 3585 2 2 3 PRO O O 0.853 8.231 1.721 1.00 . B P . 103 PRO O 1 1 5 3586 2 2 4 LEU C C 2.241 6.420 4.102 1.00 . B P . 104 LEU C 1 1 5 3587 2 2 4 LEU CA C 2.588 7.879 3.876 1.00 . B P . 104 LEU CA 1 1 5 3588 2 2 4 LEU CB C 3.562 8.373 4.952 1.00 . B P . 104 LEU CB 1 1 5 3589 2 2 4 LEU CD1 C 5.049 10.165 5.882 1.00 . B P . 104 LEU CD1 1 1 5 3590 2 2 4 LEU CD2 C 4.774 9.928 3.407 1.00 . B P . 104 LEU CD2 1 1 5 3591 2 2 4 LEU CG C 4.087 9.800 4.759 1.00 . B P . 104 LEU CG 1 1 5 3592 2 2 4 LEU H H 1.134 9.187 4.665 1.00 . B P . 104 LEU H 1 1 5 3593 2 2 4 LEU HA H 3.055 7.977 2.907 1.00 . B P . 104 LEU HA 1 1 5 3594 2 2 4 LEU HB2 H 3.064 8.321 5.910 1.00 . B P . 104 LEU HB2 1 1 5 3595 2 2 4 LEU HB3 H 4.410 7.704 4.967 1.00 . B P . 104 LEU HB3 1 1 5 3596 2 2 4 LEU HD11 H 4.537 10.097 6.830 1.00 . B P . 104 LEU HD11 1 1 5 3597 2 2 4 LEU HD12 H 5.409 11.174 5.739 1.00 . B P . 104 LEU HD12 1 1 5 3598 2 2 4 LEU HD13 H 5.883 9.480 5.877 1.00 . B P . 104 LEU HD13 1 1 5 3599 2 2 4 LEU HD21 H 4.073 9.682 2.625 1.00 . B P . 104 LEU HD21 1 1 5 3600 2 2 4 LEU HD22 H 5.611 9.247 3.366 1.00 . B P . 104 LEU HD22 1 1 5 3601 2 2 4 LEU HD23 H 5.127 10.941 3.271 1.00 . B P . 104 LEU HD23 1 1 5 3602 2 2 4 LEU HG H 3.258 10.495 4.786 1.00 . B P . 104 LEU HG 1 1 5 3603 2 2 4 LEU N N 1.374 8.682 3.867 1.00 . B P . 104 LEU N 1 1 5 3604 2 2 4 LEU O O 1.245 6.113 4.762 1.00 . B P . 104 LEU O 1 1 5 3605 2 2 5 ILE C C 3.411 3.780 5.208 1.00 . B P . 105 ILE C 1 1 5 3606 2 2 5 ILE CA C 2.831 4.111 3.829 1.00 . B P . 105 ILE CA 1 1 5 3607 2 2 5 ILE CB C 3.510 3.175 2.785 1.00 . B P . 105 ILE CB 1 1 5 3608 2 2 5 ILE CD1 C 3.530 4.746 0.775 1.00 . B P . 105 ILE CD1 1 1 5 3609 2 2 5 ILE CG1 C 3.081 3.422 1.352 1.00 . B P . 105 ILE CG1 1 1 5 3610 2 2 5 ILE CG2 C 3.184 1.726 3.090 1.00 . B P . 105 ILE CG2 1 1 5 3611 2 2 5 ILE H H 3.751 5.800 2.949 1.00 . B P . 105 ILE H 1 1 5 3612 2 2 5 ILE HA H 1.768 3.915 3.832 1.00 . B P . 105 ILE HA 1 1 5 3613 2 2 5 ILE HB H 4.592 3.314 2.849 1.00 . B P . 105 ILE HB 1 1 5 3614 2 2 5 ILE HD11 H 2.665 5.378 0.598 1.00 . B P . 105 ILE HD11 1 1 5 3615 2 2 5 ILE HD12 H 4.043 4.574 -0.158 1.00 . B P . 105 ILE HD12 1 1 5 3616 2 2 5 ILE HD13 H 4.199 5.231 1.472 1.00 . B P . 105 ILE HD13 1 1 5 3617 2 2 5 ILE HG12 H 3.515 2.622 0.750 1.00 . B P . 105 ILE HG12 1 1 5 3618 2 2 5 ILE HG13 H 1.998 3.367 1.287 1.00 . B P . 105 ILE HG13 1 1 5 3619 2 2 5 ILE HG21 H 3.711 1.086 2.397 1.00 . B P . 105 ILE HG21 1 1 5 3620 2 2 5 ILE HG22 H 2.119 1.565 2.991 1.00 . B P . 105 ILE HG22 1 1 5 3621 2 2 5 ILE HG23 H 3.492 1.496 4.097 1.00 . B P . 105 ILE HG23 1 1 5 3622 2 2 5 ILE N N 3.031 5.517 3.551 1.00 . B P . 105 ILE N 1 1 5 3623 2 2 5 ILE O O 4.378 4.404 5.652 1.00 . B P . 105 ILE O 1 1 5 3624 2 2 6 PRO C C 4.496 1.149 6.620 1.00 . B P . 106 PRO C 1 1 5 3625 2 2 6 PRO CA C 3.449 2.179 7.060 1.00 . B P . 106 PRO CA 1 1 5 3626 2 2 6 PRO CB C 2.268 1.482 7.742 1.00 . B P . 106 PRO CB 1 1 5 3627 2 2 6 PRO CD C 1.459 2.326 5.683 1.00 . B P . 106 PRO CD 1 1 5 3628 2 2 6 PRO CG C 1.343 1.169 6.614 1.00 . B P . 106 PRO CG 1 1 5 3629 2 2 6 PRO HA H 3.892 2.902 7.729 1.00 . B P . 106 PRO HA 1 1 5 3630 2 2 6 PRO HB2 H 2.615 0.586 8.238 1.00 . B P . 106 PRO HB2 1 1 5 3631 2 2 6 PRO HB3 H 1.811 2.151 8.458 1.00 . B P . 106 PRO HB3 1 1 5 3632 2 2 6 PRO HD2 H 1.331 2.004 4.661 1.00 . B P . 106 PRO HD2 1 1 5 3633 2 2 6 PRO HD3 H 0.733 3.088 5.930 1.00 . B P . 106 PRO HD3 1 1 5 3634 2 2 6 PRO HG2 H 1.653 0.260 6.123 1.00 . B P . 106 PRO HG2 1 1 5 3635 2 2 6 PRO HG3 H 0.328 1.083 6.958 1.00 . B P . 106 PRO HG3 1 1 5 3636 2 2 6 PRO N N 2.820 2.814 5.908 1.00 . B P . 106 PRO N 1 1 5 3637 2 2 6 PRO O O 4.368 0.537 5.559 1.00 . B P . 106 PRO O 1 1 5 3638 2 2 7 PRO C C 5.963 -1.468 7.643 1.00 . B P . 107 PRO C 1 1 5 3639 2 2 7 PRO CA C 6.512 -0.127 7.161 1.00 . B P . 107 PRO CA 1 1 5 3640 2 2 7 PRO CB C 7.743 0.282 7.990 1.00 . B P . 107 PRO CB 1 1 5 3641 2 2 7 PRO CD C 5.932 1.756 8.565 1.00 . B P . 107 PRO CD 1 1 5 3642 2 2 7 PRO CG C 7.428 1.629 8.565 1.00 . B P . 107 PRO CG 1 1 5 3643 2 2 7 PRO HA H 6.774 -0.194 6.113 1.00 . B P . 107 PRO HA 1 1 5 3644 2 2 7 PRO HB2 H 7.907 -0.447 8.770 1.00 . B P . 107 PRO HB2 1 1 5 3645 2 2 7 PRO HB3 H 8.610 0.322 7.345 1.00 . B P . 107 PRO HB3 1 1 5 3646 2 2 7 PRO HD2 H 5.516 1.350 9.477 1.00 . B P . 107 PRO HD2 1 1 5 3647 2 2 7 PRO HD3 H 5.638 2.786 8.435 1.00 . B P . 107 PRO HD3 1 1 5 3648 2 2 7 PRO HG2 H 7.805 1.693 9.576 1.00 . B P . 107 PRO HG2 1 1 5 3649 2 2 7 PRO HG3 H 7.871 2.398 7.949 1.00 . B P . 107 PRO HG3 1 1 5 3650 2 2 7 PRO N N 5.557 0.950 7.405 1.00 . B P . 107 PRO N 1 1 5 3651 2 2 7 PRO O O 5.191 -1.514 8.605 1.00 . B P . 107 PRO O 1 1 5 3652 2 2 8 PRO C C 6.714 -4.369 8.642 1.00 . B P . 108 PRO C 1 1 5 3653 2 2 8 PRO CA C 5.905 -3.897 7.437 1.00 . B P . 108 PRO CA 1 1 5 3654 2 2 8 PRO CB C 6.178 -4.797 6.220 1.00 . B P . 108 PRO CB 1 1 5 3655 2 2 8 PRO CD C 7.153 -2.647 5.781 1.00 . B P . 108 PRO CD 1 1 5 3656 2 2 8 PRO CG C 6.623 -3.885 5.118 1.00 . B P . 108 PRO CG 1 1 5 3657 2 2 8 PRO HA H 4.850 -3.910 7.676 1.00 . B P . 108 PRO HA 1 1 5 3658 2 2 8 PRO HB2 H 6.950 -5.509 6.469 1.00 . B P . 108 PRO HB2 1 1 5 3659 2 2 8 PRO HB3 H 5.273 -5.322 5.952 1.00 . B P . 108 PRO HB3 1 1 5 3660 2 2 8 PRO HD2 H 8.201 -2.757 6.018 1.00 . B P . 108 PRO HD2 1 1 5 3661 2 2 8 PRO HD3 H 6.993 -1.780 5.154 1.00 . B P . 108 PRO HD3 1 1 5 3662 2 2 8 PRO HG2 H 7.402 -4.361 4.541 1.00 . B P . 108 PRO HG2 1 1 5 3663 2 2 8 PRO HG3 H 5.784 -3.640 4.486 1.00 . B P . 108 PRO HG3 1 1 5 3664 2 2 8 PRO N N 6.333 -2.576 6.994 1.00 . B P . 108 PRO N 1 1 5 3665 2 2 8 PRO O O 7.887 -4.016 8.783 1.00 . B P . 108 PRO O 1 1 5 3666 2 2 9 PRO C C 7.638 -6.921 10.354 1.00 . B P . 109 PRO C 1 1 5 3667 2 2 9 PRO CA C 6.757 -5.722 10.698 1.00 . B P . 109 PRO CA 1 1 5 3668 2 2 9 PRO CB C 5.593 -6.145 11.609 1.00 . B P . 109 PRO CB 1 1 5 3669 2 2 9 PRO CD C 4.691 -5.565 9.465 1.00 . B P . 109 PRO CD 1 1 5 3670 2 2 9 PRO CG C 4.339 -5.711 10.915 1.00 . B P . 109 PRO CG 1 1 5 3671 2 2 9 PRO HA H 7.355 -4.975 11.202 1.00 . B P . 109 PRO HA 1 1 5 3672 2 2 9 PRO HB2 H 5.616 -7.216 11.739 1.00 . B P . 109 PRO HB2 1 1 5 3673 2 2 9 PRO HB3 H 5.699 -5.663 12.571 1.00 . B P . 109 PRO HB3 1 1 5 3674 2 2 9 PRO HD2 H 4.577 -6.509 8.950 1.00 . B P . 109 PRO HD2 1 1 5 3675 2 2 9 PRO HD3 H 4.087 -4.801 9.003 1.00 . B P . 109 PRO HD3 1 1 5 3676 2 2 9 PRO HG2 H 3.573 -6.462 11.037 1.00 . B P . 109 PRO HG2 1 1 5 3677 2 2 9 PRO HG3 H 4.007 -4.766 11.317 1.00 . B P . 109 PRO HG3 1 1 5 3678 2 2 9 PRO N N 6.095 -5.161 9.525 1.00 . B P . 109 PRO N 1 1 5 3679 2 2 9 PRO O O 8.862 -6.746 10.177 1.00 . B P . 109 PRO O 1 1 5 3680 2 2 9 PRO OXT O 7.099 -8.042 10.272 1.00 . B P . 109 PRO OXT 1 1 6 3681 1 1 1 GLY C C -15.158 -10.894 5.332 1.00 . A W . 1 GLY C 1 1 6 3682 1 1 1 GLY CA C -14.722 -11.043 6.772 1.00 . A W . 1 GLY CA 1 1 6 3683 1 1 1 GLY H1 H -14.211 -9.875 8.422 1.00 . A W . 1 GLY H1 1 1 6 3684 1 1 1 GLY H2 H -15.460 -9.227 7.482 1.00 . A W . 1 GLY H2 1 1 6 3685 1 1 1 GLY H3 H -13.864 -9.157 6.931 1.00 . A W . 1 GLY H3 1 1 6 3686 1 1 1 GLY HA2 H -13.783 -11.576 6.798 1.00 . A W . 1 GLY HA2 1 1 6 3687 1 1 1 GLY HA3 H -15.464 -11.616 7.305 1.00 . A W . 1 GLY HA3 1 1 6 3688 1 1 1 GLY N N -14.550 -9.735 7.447 1.00 . A W . 1 GLY N 1 1 6 3689 1 1 1 GLY O O -14.626 -10.045 4.611 1.00 . A W . 1 GLY O 1 1 6 3690 1 1 2 ALA C C -15.723 -12.289 2.526 1.00 . A W . 2 ALA C 1 1 6 3691 1 1 2 ALA CA C -16.683 -11.724 3.567 1.00 . A W . 2 ALA CA 1 1 6 3692 1 1 2 ALA CB C -17.132 -10.322 3.172 1.00 . A W . 2 ALA CB 1 1 6 3693 1 1 2 ALA H H -16.445 -12.421 5.554 1.00 . A W . 2 ALA H 1 1 6 3694 1 1 2 ALA HA H -17.564 -12.353 3.585 1.00 . A W . 2 ALA HA 1 1 6 3695 1 1 2 ALA HB1 H -16.266 -9.681 3.076 1.00 . A W . 2 ALA HB1 1 1 6 3696 1 1 2 ALA HB2 H -17.790 -9.926 3.934 1.00 . A W . 2 ALA HB2 1 1 6 3697 1 1 2 ALA HB3 H -17.658 -10.363 2.231 1.00 . A W . 2 ALA HB3 1 1 6 3698 1 1 2 ALA N N -16.112 -11.742 4.919 1.00 . A W . 2 ALA N 1 1 6 3699 1 1 2 ALA O O -16.042 -12.297 1.333 1.00 . A W . 2 ALA O 1 1 6 3700 1 1 3 THR C C -13.121 -12.470 0.966 1.00 . A W . 3 THR C 1 1 6 3701 1 1 3 THR CA C -13.531 -13.384 2.135 1.00 . A W . 3 THR CA 1 1 6 3702 1 1 3 THR CB C -13.978 -14.777 1.612 1.00 . A W . 3 THR CB 1 1 6 3703 1 1 3 THR CG2 C -14.260 -15.715 2.774 1.00 . A W . 3 THR CG2 1 1 6 3704 1 1 3 THR H H -14.388 -12.716 3.951 1.00 . A W . 3 THR H 1 1 6 3705 1 1 3 THR HA H -12.659 -13.539 2.756 1.00 . A W . 3 THR HA 1 1 6 3706 1 1 3 THR HB H -13.181 -15.203 1.019 1.00 . A W . 3 THR HB 1 1 6 3707 1 1 3 THR HG1 H -15.499 -13.764 0.859 1.00 . A W . 3 THR HG1 1 1 6 3708 1 1 3 THR HG21 H -14.536 -16.687 2.396 1.00 . A W . 3 THR HG21 1 1 6 3709 1 1 3 THR HG22 H -15.068 -15.316 3.371 1.00 . A W . 3 THR HG22 1 1 6 3710 1 1 3 THR HG23 H -13.373 -15.803 3.384 1.00 . A W . 3 THR HG23 1 1 6 3711 1 1 3 THR N N -14.562 -12.772 2.988 1.00 . A W . 3 THR N 1 1 6 3712 1 1 3 THR O O -13.517 -11.302 0.912 1.00 . A W . 3 THR O 1 1 6 3713 1 1 3 THR OG1 O -15.151 -14.667 0.798 1.00 . A W . 3 THR OG1 1 1 6 3714 1 1 4 ALA C C -10.952 -11.103 -0.777 1.00 . A W . 4 ALA C 1 1 6 3715 1 1 4 ALA CA C -11.847 -12.283 -1.131 1.00 . A W . 4 ALA CA 1 1 6 3716 1 1 4 ALA CB C -13.033 -11.826 -1.979 1.00 . A W . 4 ALA CB 1 1 6 3717 1 1 4 ALA H H -11.924 -13.891 0.225 1.00 . A W . 4 ALA H 1 1 6 3718 1 1 4 ALA HA H -11.268 -12.981 -1.725 1.00 . A W . 4 ALA HA 1 1 6 3719 1 1 4 ALA HB1 H -12.669 -11.352 -2.878 1.00 . A W . 4 ALA HB1 1 1 6 3720 1 1 4 ALA HB2 H -13.629 -11.122 -1.415 1.00 . A W . 4 ALA HB2 1 1 6 3721 1 1 4 ALA HB3 H -13.639 -12.680 -2.242 1.00 . A W . 4 ALA HB3 1 1 6 3722 1 1 4 ALA N N -12.282 -12.997 0.068 1.00 . A W . 4 ALA N 1 1 6 3723 1 1 4 ALA O O -11.408 -9.958 -0.693 1.00 . A W . 4 ALA O 1 1 6 3724 1 1 5 VAL C C -8.402 -9.518 -1.468 1.00 . A W . 5 VAL C 1 1 6 3725 1 1 5 VAL CA C -8.700 -10.367 -0.233 1.00 . A W . 5 VAL CA 1 1 6 3726 1 1 5 VAL CB C -7.391 -10.977 0.332 1.00 . A W . 5 VAL CB 1 1 6 3727 1 1 5 VAL CG1 C -7.610 -11.455 1.760 1.00 . A W . 5 VAL CG1 1 1 6 3728 1 1 5 VAL CG2 C -6.897 -12.131 -0.533 1.00 . A W . 5 VAL CG2 1 1 6 3729 1 1 5 VAL H H -9.393 -12.338 -0.582 1.00 . A W . 5 VAL H 1 1 6 3730 1 1 5 VAL HA H -9.128 -9.725 0.526 1.00 . A W . 5 VAL HA 1 1 6 3731 1 1 5 VAL HB H -6.627 -10.209 0.341 1.00 . A W . 5 VAL HB 1 1 6 3732 1 1 5 VAL HG11 H -7.953 -10.631 2.369 1.00 . A W . 5 VAL HG11 1 1 6 3733 1 1 5 VAL HG12 H -6.678 -11.835 2.157 1.00 . A W . 5 VAL HG12 1 1 6 3734 1 1 5 VAL HG13 H -8.352 -12.242 1.768 1.00 . A W . 5 VAL HG13 1 1 6 3735 1 1 5 VAL HG21 H -7.666 -12.890 -0.593 1.00 . A W . 5 VAL HG21 1 1 6 3736 1 1 5 VAL HG22 H -6.006 -12.556 -0.092 1.00 . A W . 5 VAL HG22 1 1 6 3737 1 1 5 VAL HG23 H -6.669 -11.768 -1.526 1.00 . A W . 5 VAL HG23 1 1 6 3738 1 1 5 VAL N N -9.681 -11.396 -0.542 1.00 . A W . 5 VAL N 1 1 6 3739 1 1 5 VAL O O -7.784 -9.983 -2.429 1.00 . A W . 5 VAL O 1 1 6 3740 1 1 6 SER C C -9.123 -5.968 -2.173 1.00 . A W . 6 SER C 1 1 6 3741 1 1 6 SER CA C -8.705 -7.372 -2.573 1.00 . A W . 6 SER CA 1 1 6 3742 1 1 6 SER CB C -9.537 -7.879 -3.764 1.00 . A W . 6 SER CB 1 1 6 3743 1 1 6 SER H H -9.339 -7.952 -0.650 1.00 . A W . 6 SER H 1 1 6 3744 1 1 6 SER HA H -7.659 -7.344 -2.842 1.00 . A W . 6 SER HA 1 1 6 3745 1 1 6 SER HB2 H -9.314 -8.919 -3.935 1.00 . A W . 6 SER HB2 1 1 6 3746 1 1 6 SER HB3 H -10.586 -7.773 -3.528 1.00 . A W . 6 SER HB3 1 1 6 3747 1 1 6 SER HG H -9.520 -7.698 -5.727 1.00 . A W . 6 SER HG 1 1 6 3748 1 1 6 SER N N -8.867 -8.273 -1.446 1.00 . A W . 6 SER N 1 1 6 3749 1 1 6 SER O O -9.059 -5.615 -0.994 1.00 . A W . 6 SER O 1 1 6 3750 1 1 6 SER OG O -9.261 -7.158 -4.960 1.00 . A W . 6 SER OG 1 1 6 3751 1 1 7 GLU C C -8.494 -3.040 -2.918 1.00 . A W . 7 GLU C 1 1 6 3752 1 1 7 GLU CA C -9.818 -3.776 -3.006 1.00 . A W . 7 GLU CA 1 1 6 3753 1 1 7 GLU CB C -10.715 -3.486 -1.792 1.00 . A W . 7 GLU CB 1 1 6 3754 1 1 7 GLU CD C -12.540 -1.901 -2.520 1.00 . A W . 7 GLU CD 1 1 6 3755 1 1 7 GLU CG C -12.191 -3.326 -2.140 1.00 . A W . 7 GLU CG 1 1 6 3756 1 1 7 GLU H H -9.649 -5.603 -4.051 1.00 . A W . 7 GLU H 1 1 6 3757 1 1 7 GLU HA H -10.328 -3.446 -3.901 1.00 . A W . 7 GLU HA 1 1 6 3758 1 1 7 GLU HB2 H -10.616 -4.296 -1.084 1.00 . A W . 7 GLU HB2 1 1 6 3759 1 1 7 GLU HB3 H -10.377 -2.572 -1.326 1.00 . A W . 7 GLU HB3 1 1 6 3760 1 1 7 GLU HG2 H -12.422 -3.967 -2.973 1.00 . A W . 7 GLU HG2 1 1 6 3761 1 1 7 GLU HG3 H -12.790 -3.614 -1.283 1.00 . A W . 7 GLU HG3 1 1 6 3762 1 1 7 GLU N N -9.545 -5.196 -3.163 1.00 . A W . 7 GLU N 1 1 6 3763 1 1 7 GLU O O -8.023 -2.674 -1.838 1.00 . A W . 7 GLU O 1 1 6 3764 1 1 7 GLU OE1 O -11.966 -1.379 -3.497 1.00 . A W . 7 GLU OE1 1 1 6 3765 1 1 7 GLU OE2 O -13.379 -1.288 -1.819 1.00 . A W . 7 GLU OE2 1 1 6 3766 1 1 8 TRP C C -6.561 -1.064 -5.074 1.00 . A W . 8 TRP C 1 1 6 3767 1 1 8 TRP CA C -6.554 -2.299 -4.184 1.00 . A W . 8 TRP CA 1 1 6 3768 1 1 8 TRP CB C -5.601 -3.338 -4.814 1.00 . A W . 8 TRP CB 1 1 6 3769 1 1 8 TRP CD1 C -5.633 -5.896 -4.505 1.00 . A W . 8 TRP CD1 1 1 6 3770 1 1 8 TRP CD2 C -5.275 -4.713 -2.655 1.00 . A W . 8 TRP CD2 1 1 6 3771 1 1 8 TRP CE2 C -5.266 -6.074 -2.310 1.00 . A W . 8 TRP CE2 1 1 6 3772 1 1 8 TRP CE3 C -5.078 -3.761 -1.680 1.00 . A W . 8 TRP CE3 1 1 6 3773 1 1 8 TRP CG C -5.503 -4.616 -4.043 1.00 . A W . 8 TRP CG 1 1 6 3774 1 1 8 TRP CH2 C -4.888 -5.528 -0.047 1.00 . A W . 8 TRP CH2 1 1 6 3775 1 1 8 TRP CZ2 C -5.065 -6.501 -0.995 1.00 . A W . 8 TRP CZ2 1 1 6 3776 1 1 8 TRP CZ3 C -4.891 -4.175 -0.389 1.00 . A W . 8 TRP CZ3 1 1 6 3777 1 1 8 TRP H H -8.378 -3.068 -4.908 1.00 . A W . 8 TRP H 1 1 6 3778 1 1 8 TRP HA H -6.207 -2.044 -3.179 1.00 . A W . 8 TRP HA 1 1 6 3779 1 1 8 TRP HB2 H -5.946 -3.574 -5.810 1.00 . A W . 8 TRP HB2 1 1 6 3780 1 1 8 TRP HB3 H -4.609 -2.909 -4.875 1.00 . A W . 8 TRP HB3 1 1 6 3781 1 1 8 TRP HD1 H -5.811 -6.156 -5.538 1.00 . A W . 8 TRP HD1 1 1 6 3782 1 1 8 TRP HE1 H -5.523 -7.765 -3.537 1.00 . A W . 8 TRP HE1 1 1 6 3783 1 1 8 TRP HE3 H -5.049 -2.704 -1.932 1.00 . A W . 8 TRP HE3 1 1 6 3784 1 1 8 TRP HH2 H -4.731 -5.787 1.000 1.00 . A W . 8 TRP HH2 1 1 6 3785 1 1 8 TRP HZ2 H -5.059 -7.545 -0.721 1.00 . A W . 8 TRP HZ2 1 1 6 3786 1 1 8 TRP HZ3 H -4.789 -3.442 0.392 1.00 . A W . 8 TRP HZ3 1 1 6 3787 1 1 8 TRP N N -7.897 -2.841 -4.083 1.00 . A W . 8 TRP N 1 1 6 3788 1 1 8 TRP NE1 N -5.477 -6.786 -3.465 1.00 . A W . 8 TRP NE1 1 1 6 3789 1 1 8 TRP O O -6.805 -1.167 -6.275 1.00 . A W . 8 TRP O 1 1 6 3790 1 1 9 THR C C -4.795 1.679 -5.575 1.00 . A W . 9 THR C 1 1 6 3791 1 1 9 THR CA C -6.220 1.300 -5.309 1.00 . A W . 9 THR CA 1 1 6 3792 1 1 9 THR CB C -6.991 2.508 -4.720 1.00 . A W . 9 THR CB 1 1 6 3793 1 1 9 THR CG2 C -6.999 2.480 -3.201 1.00 . A W . 9 THR CG2 1 1 6 3794 1 1 9 THR H H -6.188 0.150 -3.531 1.00 . A W . 9 THR H 1 1 6 3795 1 1 9 THR HA H -6.676 1.064 -6.261 1.00 . A W . 9 THR HA 1 1 6 3796 1 1 9 THR HB H -7.984 2.435 -5.078 1.00 . A W . 9 THR HB 1 1 6 3797 1 1 9 THR HG1 H -7.217 4.380 -5.318 1.00 . A W . 9 THR HG1 1 1 6 3798 1 1 9 THR HG21 H -7.514 3.351 -2.826 1.00 . A W . 9 THR HG21 1 1 6 3799 1 1 9 THR HG22 H -5.978 2.485 -2.836 1.00 . A W . 9 THR HG22 1 1 6 3800 1 1 9 THR HG23 H -7.500 1.584 -2.855 1.00 . A W . 9 THR HG23 1 1 6 3801 1 1 9 THR N N -6.313 0.099 -4.501 1.00 . A W . 9 THR N 1 1 6 3802 1 1 9 THR O O -3.852 1.173 -4.961 1.00 . A W . 9 THR O 1 1 6 3803 1 1 9 THR OG1 O -6.484 3.770 -5.181 1.00 . A W . 9 THR OG1 1 1 6 3804 1 1 10 GLU C C -3.085 4.416 -6.399 1.00 . A W . 10 GLU C 1 1 6 3805 1 1 10 GLU CA C -3.411 3.053 -6.991 1.00 . A W . 10 GLU CA 1 1 6 3806 1 1 10 GLU CB C -3.462 3.095 -8.511 1.00 . A W . 10 GLU CB 1 1 6 3807 1 1 10 GLU CD C -4.841 3.694 -10.552 1.00 . A W . 10 GLU CD 1 1 6 3808 1 1 10 GLU CG C -4.694 3.806 -9.051 1.00 . A W . 10 GLU CG 1 1 6 3809 1 1 10 GLU H H -5.520 2.981 -6.835 1.00 . A W . 10 GLU H 1 1 6 3810 1 1 10 GLU HA H -2.653 2.346 -6.681 1.00 . A W . 10 GLU HA 1 1 6 3811 1 1 10 GLU HB2 H -2.581 3.594 -8.885 1.00 . A W . 10 GLU HB2 1 1 6 3812 1 1 10 GLU HB3 H -3.478 2.085 -8.866 1.00 . A W . 10 GLU HB3 1 1 6 3813 1 1 10 GLU HG2 H -5.567 3.376 -8.588 1.00 . A W . 10 GLU HG2 1 1 6 3814 1 1 10 GLU HG3 H -4.626 4.851 -8.788 1.00 . A W . 10 GLU HG3 1 1 6 3815 1 1 10 GLU N N -4.684 2.582 -6.497 1.00 . A W . 10 GLU N 1 1 6 3816 1 1 10 GLU O O -3.753 5.415 -6.676 1.00 . A W . 10 GLU O 1 1 6 3817 1 1 10 GLU OE1 O -4.188 4.467 -11.277 1.00 . A W . 10 GLU OE1 1 1 6 3818 1 1 10 GLU OE2 O -5.631 2.845 -11.013 1.00 . A W . 10 GLU OE2 1 1 6 3819 1 1 11 TYR C C -0.231 5.992 -5.103 1.00 . A W . 11 TYR C 1 1 6 3820 1 1 11 TYR CA C -1.685 5.632 -4.838 1.00 . A W . 11 TYR CA 1 1 6 3821 1 1 11 TYR CB C -1.918 5.432 -3.336 1.00 . A W . 11 TYR CB 1 1 6 3822 1 1 11 TYR CD1 C -4.446 5.518 -3.372 1.00 . A W . 11 TYR CD1 1 1 6 3823 1 1 11 TYR CD2 C -3.290 6.904 -1.819 1.00 . A W . 11 TYR CD2 1 1 6 3824 1 1 11 TYR CE1 C -5.656 6.007 -2.913 1.00 . A W . 11 TYR CE1 1 1 6 3825 1 1 11 TYR CE2 C -4.494 7.398 -1.359 1.00 . A W . 11 TYR CE2 1 1 6 3826 1 1 11 TYR CG C -3.245 5.960 -2.835 1.00 . A W . 11 TYR CG 1 1 6 3827 1 1 11 TYR CZ C -5.671 6.947 -1.906 1.00 . A W . 11 TYR CZ 1 1 6 3828 1 1 11 TYR H H -1.542 3.608 -5.440 1.00 . A W . 11 TYR H 1 1 6 3829 1 1 11 TYR HA H -2.306 6.443 -5.186 1.00 . A W . 11 TYR HA 1 1 6 3830 1 1 11 TYR HB2 H -1.883 4.378 -3.116 1.00 . A W . 11 TYR HB2 1 1 6 3831 1 1 11 TYR HB3 H -1.132 5.933 -2.789 1.00 . A W . 11 TYR HB3 1 1 6 3832 1 1 11 TYR HD1 H -4.429 4.780 -4.158 1.00 . A W . 11 TYR HD1 1 1 6 3833 1 1 11 TYR HD2 H -2.364 7.257 -1.387 1.00 . A W . 11 TYR HD2 1 1 6 3834 1 1 11 TYR HE1 H -6.580 5.653 -3.344 1.00 . A W . 11 TYR HE1 1 1 6 3835 1 1 11 TYR HE2 H -4.507 8.131 -0.571 1.00 . A W . 11 TYR HE2 1 1 6 3836 1 1 11 TYR HH H -7.511 6.733 -1.384 1.00 . A W . 11 TYR HH 1 1 6 3837 1 1 11 TYR N N -2.066 4.433 -5.566 1.00 . A W . 11 TYR N 1 1 6 3838 1 1 11 TYR O O 0.687 5.297 -4.677 1.00 . A W . 11 TYR O 1 1 6 3839 1 1 11 TYR OH O -6.868 7.445 -1.444 1.00 . A W . 11 TYR OH 1 1 6 3840 1 1 12 LYS C C 1.603 8.726 -5.097 1.00 . A W . 12 LYS C 1 1 6 3841 1 1 12 LYS CA C 1.308 7.581 -6.059 1.00 . A W . 12 LYS CA 1 1 6 3842 1 1 12 LYS CB C 1.465 8.040 -7.512 1.00 . A W . 12 LYS CB 1 1 6 3843 1 1 12 LYS CD C 0.700 9.547 -9.362 1.00 . A W . 12 LYS CD 1 1 6 3844 1 1 12 LYS CE C -0.362 10.530 -9.818 1.00 . A W . 12 LYS CE 1 1 6 3845 1 1 12 LYS CG C 0.441 9.075 -7.948 1.00 . A W . 12 LYS CG 1 1 6 3846 1 1 12 LYS H H -0.796 7.554 -6.196 1.00 . A W . 12 LYS H 1 1 6 3847 1 1 12 LYS HA H 2.003 6.775 -5.867 1.00 . A W . 12 LYS HA 1 1 6 3848 1 1 12 LYS HB2 H 2.449 8.467 -7.636 1.00 . A W . 12 LYS HB2 1 1 6 3849 1 1 12 LYS HB3 H 1.374 7.179 -8.157 1.00 . A W . 12 LYS HB3 1 1 6 3850 1 1 12 LYS HD2 H 1.665 10.033 -9.397 1.00 . A W . 12 LYS HD2 1 1 6 3851 1 1 12 LYS HD3 H 0.698 8.693 -10.021 1.00 . A W . 12 LYS HD3 1 1 6 3852 1 1 12 LYS HE2 H -1.334 10.077 -9.696 1.00 . A W . 12 LYS HE2 1 1 6 3853 1 1 12 LYS HE3 H -0.300 11.419 -9.206 1.00 . A W . 12 LYS HE3 1 1 6 3854 1 1 12 LYS HG2 H -0.544 8.638 -7.902 1.00 . A W . 12 LYS HG2 1 1 6 3855 1 1 12 LYS HG3 H 0.493 9.923 -7.280 1.00 . A W . 12 LYS HG3 1 1 6 3856 1 1 12 LYS HZ1 H 0.614 11.582 -11.335 1.00 . A W . 12 LYS HZ1 1 1 6 3857 1 1 12 LYS HZ2 H -1.049 11.365 -11.601 1.00 . A W . 12 LYS HZ2 1 1 6 3858 1 1 12 LYS HZ3 H 0.020 10.066 -11.816 1.00 . A W . 12 LYS HZ3 1 1 6 3859 1 1 12 LYS N N -0.030 7.076 -5.822 1.00 . A W . 12 LYS N 1 1 6 3860 1 1 12 LYS NZ N -0.181 10.912 -11.241 1.00 . A W . 12 LYS NZ 1 1 6 3861 1 1 12 LYS O O 0.857 9.706 -5.034 1.00 . A W . 12 LYS O 1 1 6 3862 1 1 13 THR C C 3.799 10.740 -4.064 1.00 . A W . 13 THR C 1 1 6 3863 1 1 13 THR CA C 3.034 9.620 -3.373 1.00 . A W . 13 THR CA 1 1 6 3864 1 1 13 THR CB C 3.884 9.054 -2.219 1.00 . A W . 13 THR CB 1 1 6 3865 1 1 13 THR CG2 C 3.150 7.929 -1.499 1.00 . A W . 13 THR CG2 1 1 6 3866 1 1 13 THR H H 3.222 7.785 -4.406 1.00 . A W . 13 THR H 1 1 6 3867 1 1 13 THR HA H 2.122 10.027 -2.957 1.00 . A W . 13 THR HA 1 1 6 3868 1 1 13 THR HB H 4.071 9.846 -1.512 1.00 . A W . 13 THR HB 1 1 6 3869 1 1 13 THR HG1 H 5.834 8.801 -2.083 1.00 . A W . 13 THR HG1 1 1 6 3870 1 1 13 THR HG21 H 2.930 7.138 -2.198 1.00 . A W . 13 THR HG21 1 1 6 3871 1 1 13 THR HG22 H 2.229 8.309 -1.086 1.00 . A W . 13 THR HG22 1 1 6 3872 1 1 13 THR HG23 H 3.770 7.545 -0.705 1.00 . A W . 13 THR HG23 1 1 6 3873 1 1 13 THR N N 2.668 8.591 -4.328 1.00 . A W . 13 THR N 1 1 6 3874 1 1 13 THR O O 4.189 10.611 -5.228 1.00 . A W . 13 THR O 1 1 6 3875 1 1 13 THR OG1 O 5.137 8.568 -2.715 1.00 . A W . 13 THR OG1 1 1 6 3876 1 1 14 ALA C C 6.221 12.616 -4.105 1.00 . A W . 14 ALA C 1 1 6 3877 1 1 14 ALA CA C 4.756 12.970 -3.881 1.00 . A W . 14 ALA CA 1 1 6 3878 1 1 14 ALA CB C 4.633 14.162 -2.942 1.00 . A W . 14 ALA CB 1 1 6 3879 1 1 14 ALA H H 3.698 11.866 -2.421 1.00 . A W . 14 ALA H 1 1 6 3880 1 1 14 ALA HA H 4.309 13.237 -4.829 1.00 . A W . 14 ALA HA 1 1 6 3881 1 1 14 ALA HB1 H 5.074 13.915 -1.987 1.00 . A W . 14 ALA HB1 1 1 6 3882 1 1 14 ALA HB2 H 3.590 14.410 -2.806 1.00 . A W . 14 ALA HB2 1 1 6 3883 1 1 14 ALA HB3 H 5.152 15.007 -3.368 1.00 . A W . 14 ALA HB3 1 1 6 3884 1 1 14 ALA N N 4.027 11.829 -3.343 1.00 . A W . 14 ALA N 1 1 6 3885 1 1 14 ALA O O 6.956 13.344 -4.771 1.00 . A W . 14 ALA O 1 1 6 3886 1 1 15 ASP C C 8.231 10.329 -5.001 1.00 . A W . 15 ASP C 1 1 6 3887 1 1 15 ASP CA C 8.008 11.020 -3.660 1.00 . A W . 15 ASP CA 1 1 6 3888 1 1 15 ASP CB C 8.328 10.034 -2.537 1.00 . A W . 15 ASP CB 1 1 6 3889 1 1 15 ASP CG C 7.771 10.457 -1.198 1.00 . A W . 15 ASP CG 1 1 6 3890 1 1 15 ASP H H 5.991 10.951 -3.030 1.00 . A W . 15 ASP H 1 1 6 3891 1 1 15 ASP HA H 8.663 11.873 -3.586 1.00 . A W . 15 ASP HA 1 1 6 3892 1 1 15 ASP HB2 H 7.911 9.069 -2.785 1.00 . A W . 15 ASP HB2 1 1 6 3893 1 1 15 ASP HB3 H 9.399 9.943 -2.447 1.00 . A W . 15 ASP HB3 1 1 6 3894 1 1 15 ASP N N 6.633 11.487 -3.545 1.00 . A W . 15 ASP N 1 1 6 3895 1 1 15 ASP O O 9.370 10.126 -5.425 1.00 . A W . 15 ASP O 1 1 6 3896 1 1 15 ASP OD1 O 6.600 10.121 -0.914 1.00 . A W . 15 ASP OD1 1 1 6 3897 1 1 15 ASP OD2 O 8.495 11.114 -0.422 1.00 . A W . 15 ASP OD2 1 1 6 3898 1 1 16 GLY C C 7.118 7.736 -6.698 1.00 . A W . 16 GLY C 1 1 6 3899 1 1 16 GLY CA C 7.223 9.231 -6.911 1.00 . A W . 16 GLY CA 1 1 6 3900 1 1 16 GLY H H 6.256 10.190 -5.295 1.00 . A W . 16 GLY H 1 1 6 3901 1 1 16 GLY HA2 H 6.422 9.552 -7.562 1.00 . A W . 16 GLY HA2 1 1 6 3902 1 1 16 GLY HA3 H 8.169 9.452 -7.386 1.00 . A W . 16 GLY HA3 1 1 6 3903 1 1 16 GLY N N 7.135 9.960 -5.659 1.00 . A W . 16 GLY N 1 1 6 3904 1 1 16 GLY O O 7.629 6.941 -7.495 1.00 . A W . 16 GLY O 1 1 6 3905 1 1 17 LYS C C 4.886 5.472 -5.591 1.00 . A W . 17 LYS C 1 1 6 3906 1 1 17 LYS CA C 6.302 5.942 -5.282 1.00 . A W . 17 LYS CA 1 1 6 3907 1 1 17 LYS CB C 6.617 5.696 -3.801 1.00 . A W . 17 LYS CB 1 1 6 3908 1 1 17 LYS CD C 8.937 4.709 -3.975 1.00 . A W . 17 LYS CD 1 1 6 3909 1 1 17 LYS CE C 8.504 3.375 -3.382 1.00 . A W . 17 LYS CE 1 1 6 3910 1 1 17 LYS CG C 8.090 5.860 -3.438 1.00 . A W . 17 LYS CG 1 1 6 3911 1 1 17 LYS H H 6.067 8.027 -5.021 1.00 . A W . 17 LYS H 1 1 6 3912 1 1 17 LYS HA H 6.997 5.377 -5.887 1.00 . A W . 17 LYS HA 1 1 6 3913 1 1 17 LYS HB2 H 6.043 6.388 -3.203 1.00 . A W . 17 LYS HB2 1 1 6 3914 1 1 17 LYS HB3 H 6.321 4.689 -3.552 1.00 . A W . 17 LYS HB3 1 1 6 3915 1 1 17 LYS HD2 H 8.827 4.667 -5.048 1.00 . A W . 17 LYS HD2 1 1 6 3916 1 1 17 LYS HD3 H 9.974 4.885 -3.723 1.00 . A W . 17 LYS HD3 1 1 6 3917 1 1 17 LYS HE2 H 8.543 3.449 -2.305 1.00 . A W . 17 LYS HE2 1 1 6 3918 1 1 17 LYS HE3 H 7.488 3.168 -3.691 1.00 . A W . 17 LYS HE3 1 1 6 3919 1 1 17 LYS HG2 H 8.454 6.785 -3.858 1.00 . A W . 17 LYS HG2 1 1 6 3920 1 1 17 LYS HG3 H 8.182 5.890 -2.362 1.00 . A W . 17 LYS HG3 1 1 6 3921 1 1 17 LYS HZ1 H 9.484 2.245 -4.851 1.00 . A W . 17 LYS HZ1 1 1 6 3922 1 1 17 LYS HZ2 H 8.972 1.345 -3.507 1.00 . A W . 17 LYS HZ2 1 1 6 3923 1 1 17 LYS HZ3 H 10.326 2.345 -3.383 1.00 . A W . 17 LYS HZ3 1 1 6 3924 1 1 17 LYS N N 6.463 7.348 -5.613 1.00 . A W . 17 LYS N 1 1 6 3925 1 1 17 LYS NZ N 9.380 2.252 -3.814 1.00 . A W . 17 LYS NZ 1 1 6 3926 1 1 17 LYS O O 3.914 6.051 -5.104 1.00 . A W . 17 LYS O 1 1 6 3927 1 1 18 THR C C 3.183 2.761 -5.655 1.00 . A W . 18 THR C 1 1 6 3928 1 1 18 THR CA C 3.501 3.814 -6.703 1.00 . A W . 18 THR CA 1 1 6 3929 1 1 18 THR CB C 3.510 3.148 -8.095 1.00 . A W . 18 THR CB 1 1 6 3930 1 1 18 THR CG2 C 2.168 2.497 -8.405 1.00 . A W . 18 THR CG2 1 1 6 3931 1 1 18 THR H H 5.592 4.065 -6.820 1.00 . A W . 18 THR H 1 1 6 3932 1 1 18 THR HA H 2.740 4.577 -6.687 1.00 . A W . 18 THR HA 1 1 6 3933 1 1 18 THR HB H 4.272 2.382 -8.099 1.00 . A W . 18 THR HB 1 1 6 3934 1 1 18 THR HG1 H 3.015 4.427 -9.520 1.00 . A W . 18 THR HG1 1 1 6 3935 1 1 18 THR HG21 H 1.383 3.231 -8.312 1.00 . A W . 18 THR HG21 1 1 6 3936 1 1 18 THR HG22 H 1.989 1.690 -7.703 1.00 . A W . 18 THR HG22 1 1 6 3937 1 1 18 THR HG23 H 2.177 2.102 -9.410 1.00 . A W . 18 THR HG23 1 1 6 3938 1 1 18 THR N N 4.782 4.431 -6.405 1.00 . A W . 18 THR N 1 1 6 3939 1 1 18 THR O O 3.775 1.683 -5.654 1.00 . A W . 18 THR O 1 1 6 3940 1 1 18 THR OG1 O 3.827 4.118 -9.104 1.00 . A W . 18 THR OG1 1 1 6 3941 1 1 19 TYR C C 0.420 1.830 -3.812 1.00 . A W . 19 TYR C 1 1 6 3942 1 1 19 TYR CA C 1.901 2.154 -3.711 1.00 . A W . 19 TYR CA 1 1 6 3943 1 1 19 TYR CB C 2.296 2.677 -2.325 1.00 . A W . 19 TYR CB 1 1 6 3944 1 1 19 TYR CD1 C 0.405 2.723 -0.657 1.00 . A W . 19 TYR CD1 1 1 6 3945 1 1 19 TYR CD2 C 1.134 4.793 -1.572 1.00 . A W . 19 TYR CD2 1 1 6 3946 1 1 19 TYR CE1 C -0.509 3.377 0.136 1.00 . A W . 19 TYR CE1 1 1 6 3947 1 1 19 TYR CE2 C 0.231 5.463 -0.769 1.00 . A W . 19 TYR CE2 1 1 6 3948 1 1 19 TYR CG C 1.237 3.413 -1.529 1.00 . A W . 19 TYR CG 1 1 6 3949 1 1 19 TYR CZ C -0.589 4.752 0.081 1.00 . A W . 19 TYR CZ 1 1 6 3950 1 1 19 TYR H H 1.873 3.985 -4.760 1.00 . A W . 19 TYR H 1 1 6 3951 1 1 19 TYR HA H 2.447 1.237 -3.887 1.00 . A W . 19 TYR HA 1 1 6 3952 1 1 19 TYR HB2 H 2.616 1.841 -1.724 1.00 . A W . 19 TYR HB2 1 1 6 3953 1 1 19 TYR HB3 H 3.134 3.350 -2.445 1.00 . A W . 19 TYR HB3 1 1 6 3954 1 1 19 TYR HD1 H 0.461 1.644 -0.622 1.00 . A W . 19 TYR HD1 1 1 6 3955 1 1 19 TYR HD2 H 1.767 5.347 -2.248 1.00 . A W . 19 TYR HD2 1 1 6 3956 1 1 19 TYR HE1 H -1.146 2.806 0.816 1.00 . A W . 19 TYR HE1 1 1 6 3957 1 1 19 TYR HE2 H 0.172 6.536 -0.808 1.00 . A W . 19 TYR HE2 1 1 6 3958 1 1 19 TYR HH H -1.348 5.162 1.807 1.00 . A W . 19 TYR HH 1 1 6 3959 1 1 19 TYR N N 2.289 3.092 -4.740 1.00 . A W . 19 TYR N 1 1 6 3960 1 1 19 TYR O O -0.335 2.499 -4.528 1.00 . A W . 19 TYR O 1 1 6 3961 1 1 19 TYR OH O -1.487 5.420 0.887 1.00 . A W . 19 TYR OH 1 1 6 3962 1 1 20 TYR C C -2.036 0.660 -1.829 1.00 . A W . 20 TYR C 1 1 6 3963 1 1 20 TYR CA C -1.356 0.342 -3.145 1.00 . A W . 20 TYR CA 1 1 6 3964 1 1 20 TYR CB C -1.442 -1.162 -3.413 1.00 . A W . 20 TYR CB 1 1 6 3965 1 1 20 TYR CD1 C 0.495 -1.595 -5.007 1.00 . A W . 20 TYR CD1 1 1 6 3966 1 1 20 TYR CD2 C -1.736 -1.907 -5.788 1.00 . A W . 20 TYR CD2 1 1 6 3967 1 1 20 TYR CE1 C 0.988 -1.945 -6.250 1.00 . A W . 20 TYR CE1 1 1 6 3968 1 1 20 TYR CE2 C -1.250 -2.261 -7.034 1.00 . A W . 20 TYR CE2 1 1 6 3969 1 1 20 TYR CG C -0.878 -1.570 -4.758 1.00 . A W . 20 TYR CG 1 1 6 3970 1 1 20 TYR CZ C 0.115 -2.278 -7.259 1.00 . A W . 20 TYR CZ 1 1 6 3971 1 1 20 TYR H H 0.668 0.306 -2.559 1.00 . A W . 20 TYR H 1 1 6 3972 1 1 20 TYR HA H -1.862 0.873 -3.943 1.00 . A W . 20 TYR HA 1 1 6 3973 1 1 20 TYR HB2 H -0.915 -1.699 -2.641 1.00 . A W . 20 TYR HB2 1 1 6 3974 1 1 20 TYR HB3 H -2.481 -1.453 -3.393 1.00 . A W . 20 TYR HB3 1 1 6 3975 1 1 20 TYR HD1 H 1.182 -1.336 -4.214 1.00 . A W . 20 TYR HD1 1 1 6 3976 1 1 20 TYR HD2 H -2.806 -1.897 -5.600 1.00 . A W . 20 TYR HD2 1 1 6 3977 1 1 20 TYR HE1 H 2.053 -1.954 -6.428 1.00 . A W . 20 TYR HE1 1 1 6 3978 1 1 20 TYR HE2 H -1.940 -2.519 -7.827 1.00 . A W . 20 TYR HE2 1 1 6 3979 1 1 20 TYR HH H 0.336 -1.954 -9.145 1.00 . A W . 20 TYR HH 1 1 6 3980 1 1 20 TYR N N 0.017 0.787 -3.120 1.00 . A W . 20 TYR N 1 1 6 3981 1 1 20 TYR O O -1.447 0.529 -0.752 1.00 . A W . 20 TYR O 1 1 6 3982 1 1 20 TYR OH O 0.607 -2.623 -8.500 1.00 . A W . 20 TYR OH 1 1 6 3983 1 1 21 TYR C C -5.140 0.401 -0.507 1.00 . A W . 21 TYR C 1 1 6 3984 1 1 21 TYR CA C -4.029 1.399 -0.733 1.00 . A W . 21 TYR CA 1 1 6 3985 1 1 21 TYR CB C -4.570 2.823 -0.904 1.00 . A W . 21 TYR CB 1 1 6 3986 1 1 21 TYR CD1 C -4.355 4.139 1.251 1.00 . A W . 21 TYR CD1 1 1 6 3987 1 1 21 TYR CD2 C -6.521 3.372 0.611 1.00 . A W . 21 TYR CD2 1 1 6 3988 1 1 21 TYR CE1 C -4.897 4.734 2.374 1.00 . A W . 21 TYR CE1 1 1 6 3989 1 1 21 TYR CE2 C -7.068 3.963 1.736 1.00 . A W . 21 TYR CE2 1 1 6 3990 1 1 21 TYR CG C -5.158 3.450 0.348 1.00 . A W . 21 TYR CG 1 1 6 3991 1 1 21 TYR CZ C -6.251 4.642 2.613 1.00 . A W . 21 TYR CZ 1 1 6 3992 1 1 21 TYR H H -3.749 0.981 -2.778 1.00 . A W . 21 TYR H 1 1 6 3993 1 1 21 TYR HA H -3.353 1.368 0.111 1.00 . A W . 21 TYR HA 1 1 6 3994 1 1 21 TYR HB2 H -3.768 3.463 -1.243 1.00 . A W . 21 TYR HB2 1 1 6 3995 1 1 21 TYR HB3 H -5.345 2.806 -1.658 1.00 . A W . 21 TYR HB3 1 1 6 3996 1 1 21 TYR HD1 H -3.292 4.213 1.065 1.00 . A W . 21 TYR HD1 1 1 6 3997 1 1 21 TYR HD2 H -7.156 2.837 -0.078 1.00 . A W . 21 TYR HD2 1 1 6 3998 1 1 21 TYR HE1 H -4.260 5.267 3.063 1.00 . A W . 21 TYR HE1 1 1 6 3999 1 1 21 TYR HE2 H -8.131 3.890 1.923 1.00 . A W . 21 TYR HE2 1 1 6 4000 1 1 21 TYR HH H -7.442 4.657 4.120 1.00 . A W . 21 TYR HH 1 1 6 4001 1 1 21 TYR N N -3.298 0.996 -1.906 1.00 . A W . 21 TYR N 1 1 6 4002 1 1 21 TYR O O -6.045 0.234 -1.324 1.00 . A W . 21 TYR O 1 1 6 4003 1 1 21 TYR OH O -6.787 5.239 3.727 1.00 . A W . 21 TYR OH 1 1 6 4004 1 1 22 ASN C C -7.217 -0.954 1.379 1.00 . A W . 22 ASN C 1 1 6 4005 1 1 22 ASN CA C -5.848 -1.426 0.927 1.00 . A W . 22 ASN CA 1 1 6 4006 1 1 22 ASN CB C -5.138 -2.222 2.039 1.00 . A W . 22 ASN CB 1 1 6 4007 1 1 22 ASN CG C -5.963 -3.306 2.724 1.00 . A W . 22 ASN CG 1 1 6 4008 1 1 22 ASN H H -4.305 -0.040 1.229 1.00 . A W . 22 ASN H 1 1 6 4009 1 1 22 ASN HA H -5.950 -2.047 0.038 1.00 . A W . 22 ASN HA 1 1 6 4010 1 1 22 ASN HB2 H -4.271 -2.698 1.611 1.00 . A W . 22 ASN HB2 1 1 6 4011 1 1 22 ASN HB3 H -4.808 -1.524 2.795 1.00 . A W . 22 ASN HB3 1 1 6 4012 1 1 22 ASN HD21 H -6.524 -2.041 4.142 1.00 . A W . 22 ASN HD21 1 1 6 4013 1 1 22 ASN HD22 H -7.067 -3.675 4.336 1.00 . A W . 22 ASN HD22 1 1 6 4014 1 1 22 ASN N N -5.004 -0.303 0.592 1.00 . A W . 22 ASN N 1 1 6 4015 1 1 22 ASN ND2 N -6.598 -2.968 3.832 1.00 . A W . 22 ASN ND2 1 1 6 4016 1 1 22 ASN O O -7.386 -0.495 2.507 1.00 . A W . 22 ASN O 1 1 6 4017 1 1 22 ASN OD1 O -5.989 -4.448 2.297 1.00 . A W . 22 ASN OD1 1 1 6 4018 1 1 23 ASN C C -10.140 -1.976 1.565 1.00 . A W . 23 ASN C 1 1 6 4019 1 1 23 ASN CA C -9.564 -0.754 0.870 1.00 . A W . 23 ASN CA 1 1 6 4020 1 1 23 ASN CB C -10.426 -0.404 -0.350 1.00 . A W . 23 ASN CB 1 1 6 4021 1 1 23 ASN CG C -9.948 0.822 -1.112 1.00 . A W . 23 ASN CG 1 1 6 4022 1 1 23 ASN H H -7.984 -1.318 -0.430 1.00 . A W . 23 ASN H 1 1 6 4023 1 1 23 ASN HA H -9.555 0.080 1.562 1.00 . A W . 23 ASN HA 1 1 6 4024 1 1 23 ASN HB2 H -10.420 -1.241 -1.028 1.00 . A W . 23 ASN HB2 1 1 6 4025 1 1 23 ASN HB3 H -11.440 -0.225 -0.020 1.00 . A W . 23 ASN HB3 1 1 6 4026 1 1 23 ASN HD21 H -10.754 0.117 -2.789 1.00 . A W . 23 ASN HD21 1 1 6 4027 1 1 23 ASN HD22 H -9.956 1.647 -2.918 1.00 . A W . 23 ASN HD22 1 1 6 4028 1 1 23 ASN N N -8.190 -1.047 0.496 1.00 . A W . 23 ASN N 1 1 6 4029 1 1 23 ASN ND2 N -10.247 0.868 -2.403 1.00 . A W . 23 ASN ND2 1 1 6 4030 1 1 23 ASN O O -11.218 -1.926 2.147 1.00 . A W . 23 ASN O 1 1 6 4031 1 1 23 ASN OD1 O -9.329 1.722 -0.549 1.00 . A W . 23 ASN OD1 1 1 6 4032 1 1 24 ARG C C -10.206 -4.152 3.547 1.00 . A W . 24 ARG C 1 1 6 4033 1 1 24 ARG CA C -9.777 -4.342 2.094 1.00 . A W . 24 ARG CA 1 1 6 4034 1 1 24 ARG CB C -8.637 -5.361 2.015 1.00 . A W . 24 ARG CB 1 1 6 4035 1 1 24 ARG CD C -7.776 -7.667 2.590 1.00 . A W . 24 ARG CD 1 1 6 4036 1 1 24 ARG CG C -8.903 -6.658 2.775 1.00 . A W . 24 ARG CG 1 1 6 4037 1 1 24 ARG CZ C -5.500 -7.837 3.549 1.00 . A W . 24 ARG CZ 1 1 6 4038 1 1 24 ARG H H -8.535 -3.032 1.001 1.00 . A W . 24 ARG H 1 1 6 4039 1 1 24 ARG HA H -10.593 -4.714 1.522 1.00 . A W . 24 ARG HA 1 1 6 4040 1 1 24 ARG HB2 H -8.463 -5.609 0.979 1.00 . A W . 24 ARG HB2 1 1 6 4041 1 1 24 ARG HB3 H -7.743 -4.908 2.421 1.00 . A W . 24 ARG HB3 1 1 6 4042 1 1 24 ARG HD2 H -7.980 -8.526 3.209 1.00 . A W . 24 ARG HD2 1 1 6 4043 1 1 24 ARG HD3 H -7.756 -7.972 1.553 1.00 . A W . 24 ARG HD3 1 1 6 4044 1 1 24 ARG HE H -6.281 -6.182 2.713 1.00 . A W . 24 ARG HE 1 1 6 4045 1 1 24 ARG HG2 H -8.998 -6.431 3.828 1.00 . A W . 24 ARG HG2 1 1 6 4046 1 1 24 ARG HG3 H -9.823 -7.092 2.414 1.00 . A W . 24 ARG HG3 1 1 6 4047 1 1 24 ARG HH11 H -6.645 -9.497 3.784 1.00 . A W . 24 ARG HH11 1 1 6 4048 1 1 24 ARG HH12 H -5.023 -9.624 4.381 1.00 . A W . 24 ARG HH12 1 1 6 4049 1 1 24 ARG HH21 H -4.117 -6.350 3.518 1.00 . A W . 24 ARG HH21 1 1 6 4050 1 1 24 ARG HH22 H -3.584 -7.844 4.223 1.00 . A W . 24 ARG HH22 1 1 6 4051 1 1 24 ARG N N -9.381 -3.076 1.494 1.00 . A W . 24 ARG N 1 1 6 4052 1 1 24 ARG NE N -6.463 -7.122 2.954 1.00 . A W . 24 ARG NE 1 1 6 4053 1 1 24 ARG NH1 N -5.741 -9.086 3.934 1.00 . A W . 24 ARG NH1 1 1 6 4054 1 1 24 ARG NH2 N -4.309 -7.300 3.782 1.00 . A W . 24 ARG NH2 1 1 6 4055 1 1 24 ARG O O -11.333 -4.455 3.927 1.00 . A W . 24 ARG O 1 1 6 4056 1 1 25 THR C C -9.043 -2.004 6.141 1.00 . A W . 25 THR C 1 1 6 4057 1 1 25 THR CA C -9.509 -3.407 5.761 1.00 . A W . 25 THR CA 1 1 6 4058 1 1 25 THR CB C -8.746 -4.443 6.607 1.00 . A W . 25 THR CB 1 1 6 4059 1 1 25 THR CG2 C -9.471 -5.779 6.631 1.00 . A W . 25 THR CG2 1 1 6 4060 1 1 25 THR H H -8.411 -3.412 3.964 1.00 . A W . 25 THR H 1 1 6 4061 1 1 25 THR HA H -10.565 -3.502 5.962 1.00 . A W . 25 THR HA 1 1 6 4062 1 1 25 THR HB H -8.672 -4.071 7.622 1.00 . A W . 25 THR HB 1 1 6 4063 1 1 25 THR HG1 H -6.777 -4.602 6.811 1.00 . A W . 25 THR HG1 1 1 6 4064 1 1 25 THR HG21 H -10.442 -5.655 7.089 1.00 . A W . 25 THR HG21 1 1 6 4065 1 1 25 THR HG22 H -8.892 -6.496 7.199 1.00 . A W . 25 THR HG22 1 1 6 4066 1 1 25 THR HG23 H -9.595 -6.138 5.620 1.00 . A W . 25 THR HG23 1 1 6 4067 1 1 25 THR N N -9.282 -3.645 4.345 1.00 . A W . 25 THR N 1 1 6 4068 1 1 25 THR O O -8.847 -1.700 7.316 1.00 . A W . 25 THR O 1 1 6 4069 1 1 25 THR OG1 O -7.419 -4.613 6.078 1.00 . A W . 25 THR OG1 1 1 6 4070 1 1 26 LEU C C -6.834 0.042 5.756 1.00 . A W . 26 LEU C 1 1 6 4071 1 1 26 LEU CA C -8.285 0.171 5.281 1.00 . A W . 26 LEU CA 1 1 6 4072 1 1 26 LEU CB C -9.110 1.042 6.242 1.00 . A W . 26 LEU CB 1 1 6 4073 1 1 26 LEU CD1 C -7.738 3.155 6.088 1.00 . A W . 26 LEU CD1 1 1 6 4074 1 1 26 LEU CD2 C -9.676 2.797 4.533 1.00 . A W . 26 LEU CD2 1 1 6 4075 1 1 26 LEU CG C -9.125 2.546 5.935 1.00 . A W . 26 LEU CG 1 1 6 4076 1 1 26 LEU H H -9.182 -1.430 4.237 1.00 . A W . 26 LEU H 1 1 6 4077 1 1 26 LEU HA H -8.279 0.639 4.304 1.00 . A W . 26 LEU HA 1 1 6 4078 1 1 26 LEU HB2 H -10.131 0.686 6.229 1.00 . A W . 26 LEU HB2 1 1 6 4079 1 1 26 LEU HB3 H -8.714 0.906 7.238 1.00 . A W . 26 LEU HB3 1 1 6 4080 1 1 26 LEU HD11 H -7.774 4.203 5.824 1.00 . A W . 26 LEU HD11 1 1 6 4081 1 1 26 LEU HD12 H -7.044 2.641 5.439 1.00 . A W . 26 LEU HD12 1 1 6 4082 1 1 26 LEU HD13 H -7.414 3.056 7.112 1.00 . A W . 26 LEU HD13 1 1 6 4083 1 1 26 LEU HD21 H -9.696 3.858 4.337 1.00 . A W . 26 LEU HD21 1 1 6 4084 1 1 26 LEU HD22 H -10.680 2.403 4.466 1.00 . A W . 26 LEU HD22 1 1 6 4085 1 1 26 LEU HD23 H -9.047 2.306 3.803 1.00 . A W . 26 LEU HD23 1 1 6 4086 1 1 26 LEU HG H -9.777 3.035 6.642 1.00 . A W . 26 LEU HG 1 1 6 4087 1 1 26 LEU N N -8.880 -1.156 5.124 1.00 . A W . 26 LEU N 1 1 6 4088 1 1 26 LEU O O -6.537 0.138 6.949 1.00 . A W . 26 LEU O 1 1 6 4089 1 1 27 GLU C C -3.695 0.251 3.969 1.00 . A W . 27 GLU C 1 1 6 4090 1 1 27 GLU CA C -4.522 -0.395 5.079 1.00 . A W . 27 GLU CA 1 1 6 4091 1 1 27 GLU CB C -4.184 -1.893 5.172 1.00 . A W . 27 GLU CB 1 1 6 4092 1 1 27 GLU CD C -2.301 -1.517 6.776 1.00 . A W . 27 GLU CD 1 1 6 4093 1 1 27 GLU CG C -2.733 -2.175 5.484 1.00 . A W . 27 GLU CG 1 1 6 4094 1 1 27 GLU H H -6.251 -0.234 3.865 1.00 . A W . 27 GLU H 1 1 6 4095 1 1 27 GLU HA H -4.291 0.081 6.022 1.00 . A W . 27 GLU HA 1 1 6 4096 1 1 27 GLU HB2 H -4.791 -2.351 5.936 1.00 . A W . 27 GLU HB2 1 1 6 4097 1 1 27 GLU HB3 H -4.416 -2.356 4.221 1.00 . A W . 27 GLU HB3 1 1 6 4098 1 1 27 GLU HG2 H -2.594 -3.244 5.569 1.00 . A W . 27 GLU HG2 1 1 6 4099 1 1 27 GLU HG3 H -2.128 -1.789 4.665 1.00 . A W . 27 GLU HG3 1 1 6 4100 1 1 27 GLU N N -5.944 -0.206 4.802 1.00 . A W . 27 GLU N 1 1 6 4101 1 1 27 GLU O O -4.236 0.654 2.942 1.00 . A W . 27 GLU O 1 1 6 4102 1 1 27 GLU OE1 O -2.476 -2.136 7.843 1.00 . A W . 27 GLU OE1 1 1 6 4103 1 1 27 GLU OE2 O -1.826 -0.364 6.735 1.00 . A W . 27 GLU OE2 1 1 6 4104 1 1 28 SER C C -0.507 -0.295 2.834 1.00 . A W . 28 SER C 1 1 6 4105 1 1 28 SER CA C -1.496 0.827 3.180 1.00 . A W . 28 SER CA 1 1 6 4106 1 1 28 SER CB C -0.779 2.037 3.741 1.00 . A W . 28 SER CB 1 1 6 4107 1 1 28 SER H H -2.038 0.208 5.090 1.00 . A W . 28 SER H 1 1 6 4108 1 1 28 SER HA H -2.059 1.094 2.297 1.00 . A W . 28 SER HA 1 1 6 4109 1 1 28 SER HB2 H -1.103 2.183 4.762 1.00 . A W . 28 SER HB2 1 1 6 4110 1 1 28 SER HB3 H 0.271 1.853 3.740 1.00 . A W . 28 SER HB3 1 1 6 4111 1 1 28 SER HG H -2.023 3.324 2.957 1.00 . A W . 28 SER HG 1 1 6 4112 1 1 28 SER N N -2.405 0.391 4.193 1.00 . A W . 28 SER N 1 1 6 4113 1 1 28 SER O O -0.103 -1.061 3.707 1.00 . A W . 28 SER O 1 1 6 4114 1 1 28 SER OG O -1.069 3.208 3.006 1.00 . A W . 28 SER OG 1 1 6 4115 1 1 29 THR C C 1.725 -0.745 0.026 1.00 . A W . 29 THR C 1 1 6 4116 1 1 29 THR CA C 0.902 -1.350 1.155 1.00 . A W . 29 THR CA 1 1 6 4117 1 1 29 THR CB C 0.325 -2.729 0.733 1.00 . A W . 29 THR CB 1 1 6 4118 1 1 29 THR CG2 C -0.881 -2.589 -0.184 1.00 . A W . 29 THR CG2 1 1 6 4119 1 1 29 THR H H -0.567 0.155 0.876 1.00 . A W . 29 THR H 1 1 6 4120 1 1 29 THR HA H 1.551 -1.501 2.005 1.00 . A W . 29 THR HA 1 1 6 4121 1 1 29 THR HB H 0.016 -3.248 1.623 1.00 . A W . 29 THR HB 1 1 6 4122 1 1 29 THR HG1 H 1.378 -3.270 -0.852 1.00 . A W . 29 THR HG1 1 1 6 4123 1 1 29 THR HG21 H -1.630 -1.977 0.296 1.00 . A W . 29 THR HG21 1 1 6 4124 1 1 29 THR HG22 H -1.291 -3.566 -0.392 1.00 . A W . 29 THR HG22 1 1 6 4125 1 1 29 THR HG23 H -0.575 -2.120 -1.110 1.00 . A W . 29 THR HG23 1 1 6 4126 1 1 29 THR N N -0.138 -0.408 1.562 1.00 . A W . 29 THR N 1 1 6 4127 1 1 29 THR O O 1.175 -0.147 -0.887 1.00 . A W . 29 THR O 1 1 6 4128 1 1 29 THR OG1 O 1.331 -3.516 0.080 1.00 . A W . 29 THR OG1 1 1 6 4129 1 1 30 TRP C C 3.786 -0.869 -2.259 1.00 . A W . 30 TRP C 1 1 6 4130 1 1 30 TRP CA C 3.921 -0.248 -0.877 1.00 . A W . 30 TRP CA 1 1 6 4131 1 1 30 TRP CB C 5.378 -0.319 -0.416 1.00 . A W . 30 TRP CB 1 1 6 4132 1 1 30 TRP CD1 C 5.666 0.271 2.064 1.00 . A W . 30 TRP CD1 1 1 6 4133 1 1 30 TRP CD2 C 6.102 1.953 0.668 1.00 . A W . 30 TRP CD2 1 1 6 4134 1 1 30 TRP CE2 C 6.313 2.392 1.988 1.00 . A W . 30 TRP CE2 1 1 6 4135 1 1 30 TRP CE3 C 6.306 2.851 -0.381 1.00 . A W . 30 TRP CE3 1 1 6 4136 1 1 30 TRP CG C 5.702 0.583 0.738 1.00 . A W . 30 TRP CG 1 1 6 4137 1 1 30 TRP CH2 C 6.905 4.540 1.256 1.00 . A W . 30 TRP CH2 1 1 6 4138 1 1 30 TRP CZ2 C 6.716 3.679 2.291 1.00 . A W . 30 TRP CZ2 1 1 6 4139 1 1 30 TRP CZ3 C 6.704 4.142 -0.076 1.00 . A W . 30 TRP CZ3 1 1 6 4140 1 1 30 TRP H H 3.425 -1.462 0.789 1.00 . A W . 30 TRP H 1 1 6 4141 1 1 30 TRP HA H 3.635 0.793 -0.942 1.00 . A W . 30 TRP HA 1 1 6 4142 1 1 30 TRP HB2 H 5.603 -1.330 -0.117 1.00 . A W . 30 TRP HB2 1 1 6 4143 1 1 30 TRP HB3 H 6.019 -0.043 -1.242 1.00 . A W . 30 TRP HB3 1 1 6 4144 1 1 30 TRP HD1 H 5.378 -0.678 2.454 1.00 . A W . 30 TRP HD1 1 1 6 4145 1 1 30 TRP HE1 H 6.112 1.361 3.797 1.00 . A W . 30 TRP HE1 1 1 6 4146 1 1 30 TRP HE3 H 6.149 2.553 -1.410 1.00 . A W . 30 TRP HE3 1 1 6 4147 1 1 30 TRP HH2 H 7.200 5.551 1.457 1.00 . A W . 30 TRP HH2 1 1 6 4148 1 1 30 TRP HZ2 H 6.876 4.000 3.308 1.00 . A W . 30 TRP HZ2 1 1 6 4149 1 1 30 TRP HZ3 H 6.864 4.859 -0.867 1.00 . A W . 30 TRP HZ3 1 1 6 4150 1 1 30 TRP N N 3.039 -0.896 0.088 1.00 . A W . 30 TRP N 1 1 6 4151 1 1 30 TRP NE1 N 6.050 1.344 2.817 1.00 . A W . 30 TRP NE1 1 1 6 4152 1 1 30 TRP O O 3.058 -0.362 -3.103 1.00 . A W . 30 TRP O 1 1 6 4153 1 1 31 GLU C C 3.621 -3.773 -3.934 1.00 . A W . 31 GLU C 1 1 6 4154 1 1 31 GLU CA C 4.515 -2.533 -3.825 1.00 . A W . 31 GLU CA 1 1 6 4155 1 1 31 GLU CB C 5.969 -2.812 -4.202 1.00 . A W . 31 GLU CB 1 1 6 4156 1 1 31 GLU CD C 8.304 -1.864 -4.359 1.00 . A W . 31 GLU CD 1 1 6 4157 1 1 31 GLU CG C 6.844 -1.577 -4.093 1.00 . A W . 31 GLU CG 1 1 6 4158 1 1 31 GLU H H 4.916 -2.435 -1.752 1.00 . A W . 31 GLU H 1 1 6 4159 1 1 31 GLU HA H 4.123 -1.781 -4.496 1.00 . A W . 31 GLU HA 1 1 6 4160 1 1 31 GLU HB2 H 6.368 -3.579 -3.557 1.00 . A W . 31 GLU HB2 1 1 6 4161 1 1 31 GLU HB3 H 6.001 -3.147 -5.221 1.00 . A W . 31 GLU HB3 1 1 6 4162 1 1 31 GLU HG2 H 6.500 -0.844 -4.808 1.00 . A W . 31 GLU HG2 1 1 6 4163 1 1 31 GLU HG3 H 6.748 -1.174 -3.094 1.00 . A W . 31 GLU HG3 1 1 6 4164 1 1 31 GLU N N 4.462 -1.974 -2.491 1.00 . A W . 31 GLU N 1 1 6 4165 1 1 31 GLU O O 2.678 -3.918 -3.154 1.00 . A W . 31 GLU O 1 1 6 4166 1 1 31 GLU OE1 O 8.612 -2.542 -5.358 1.00 . A W . 31 GLU OE1 1 1 6 4167 1 1 31 GLU OE2 O 9.149 -1.418 -3.559 1.00 . A W . 31 GLU OE2 1 1 6 4168 1 1 32 LYS C C 2.568 -6.605 -4.105 1.00 . A W . 32 LYS C 1 1 6 4169 1 1 32 LYS CA C 3.032 -5.748 -5.276 1.00 . A W . 32 LYS CA 1 1 6 4170 1 1 32 LYS CB C 3.704 -6.647 -6.316 1.00 . A W . 32 LYS CB 1 1 6 4171 1 1 32 LYS CD C 4.440 -6.985 -8.693 1.00 . A W . 32 LYS CD 1 1 6 4172 1 1 32 LYS CE C 4.259 -6.508 -10.125 1.00 . A W . 32 LYS CE 1 1 6 4173 1 1 32 LYS CG C 3.765 -6.043 -7.705 1.00 . A W . 32 LYS CG 1 1 6 4174 1 1 32 LYS H H 4.785 -4.581 -5.344 1.00 . A W . 32 LYS H 1 1 6 4175 1 1 32 LYS HA H 2.165 -5.300 -5.726 1.00 . A W . 32 LYS HA 1 1 6 4176 1 1 32 LYS HB2 H 4.715 -6.854 -5.997 1.00 . A W . 32 LYS HB2 1 1 6 4177 1 1 32 LYS HB3 H 3.157 -7.574 -6.374 1.00 . A W . 32 LYS HB3 1 1 6 4178 1 1 32 LYS HD2 H 5.495 -7.032 -8.470 1.00 . A W . 32 LYS HD2 1 1 6 4179 1 1 32 LYS HD3 H 4.004 -7.969 -8.590 1.00 . A W . 32 LYS HD3 1 1 6 4180 1 1 32 LYS HE2 H 4.674 -5.516 -10.212 1.00 . A W . 32 LYS HE2 1 1 6 4181 1 1 32 LYS HE3 H 4.786 -7.181 -10.782 1.00 . A W . 32 LYS HE3 1 1 6 4182 1 1 32 LYS HG2 H 2.761 -5.841 -8.044 1.00 . A W . 32 LYS HG2 1 1 6 4183 1 1 32 LYS HG3 H 4.325 -5.120 -7.659 1.00 . A W . 32 LYS HG3 1 1 6 4184 1 1 32 LYS HZ1 H 2.297 -5.825 -9.901 1.00 . A W . 32 LYS HZ1 1 1 6 4185 1 1 32 LYS HZ2 H 2.404 -7.425 -10.451 1.00 . A W . 32 LYS HZ2 1 1 6 4186 1 1 32 LYS HZ3 H 2.727 -6.135 -11.507 1.00 . A W . 32 LYS HZ3 1 1 6 4187 1 1 32 LYS N N 3.930 -4.659 -4.888 1.00 . A W . 32 LYS N 1 1 6 4188 1 1 32 LYS NZ N 2.824 -6.468 -10.522 1.00 . A W . 32 LYS NZ 1 1 6 4189 1 1 32 LYS O O 3.362 -7.271 -3.439 1.00 . A W . 32 LYS O 1 1 6 4190 1 1 33 PRO C C 0.670 -8.933 -3.408 1.00 . A W . 33 PRO C 1 1 6 4191 1 1 33 PRO CA C 0.599 -7.494 -2.910 1.00 . A W . 33 PRO CA 1 1 6 4192 1 1 33 PRO CB C -0.861 -7.012 -2.905 1.00 . A W . 33 PRO CB 1 1 6 4193 1 1 33 PRO CD C 0.297 -5.605 -4.403 1.00 . A W . 33 PRO CD 1 1 6 4194 1 1 33 PRO CG C -0.789 -5.605 -3.374 1.00 . A W . 33 PRO CG 1 1 6 4195 1 1 33 PRO HA H 1.015 -7.426 -1.918 1.00 . A W . 33 PRO HA 1 1 6 4196 1 1 33 PRO HB2 H -1.444 -7.620 -3.586 1.00 . A W . 33 PRO HB2 1 1 6 4197 1 1 33 PRO HB3 H -1.268 -7.077 -1.905 1.00 . A W . 33 PRO HB3 1 1 6 4198 1 1 33 PRO HD2 H -0.081 -5.935 -5.360 1.00 . A W . 33 PRO HD2 1 1 6 4199 1 1 33 PRO HD3 H 0.742 -4.624 -4.484 1.00 . A W . 33 PRO HD3 1 1 6 4200 1 1 33 PRO HG2 H -1.730 -5.310 -3.813 1.00 . A W . 33 PRO HG2 1 1 6 4201 1 1 33 PRO HG3 H -0.532 -4.956 -2.553 1.00 . A W . 33 PRO HG3 1 1 6 4202 1 1 33 PRO N N 1.251 -6.576 -3.844 1.00 . A W . 33 PRO N 1 1 6 4203 1 1 33 PRO O O 0.664 -9.174 -4.609 1.00 . A W . 33 PRO O 1 1 6 4204 1 1 34 GLN C C -0.315 -11.717 -3.760 1.00 . A W . 34 GLN C 1 1 6 4205 1 1 34 GLN CA C 0.832 -11.299 -2.849 1.00 . A W . 34 GLN CA 1 1 6 4206 1 1 34 GLN CB C 0.850 -12.195 -1.610 1.00 . A W . 34 GLN CB 1 1 6 4207 1 1 34 GLN CD C 2.274 -13.092 0.265 1.00 . A W . 34 GLN CD 1 1 6 4208 1 1 34 GLN CG C 2.035 -11.947 -0.694 1.00 . A W . 34 GLN CG 1 1 6 4209 1 1 34 GLN H H 0.748 -9.628 -1.535 1.00 . A W . 34 GLN H 1 1 6 4210 1 1 34 GLN HA H 1.759 -11.433 -3.385 1.00 . A W . 34 GLN HA 1 1 6 4211 1 1 34 GLN HB2 H -0.056 -12.030 -1.045 1.00 . A W . 34 GLN HB2 1 1 6 4212 1 1 34 GLN HB3 H 0.880 -13.228 -1.929 1.00 . A W . 34 GLN HB3 1 1 6 4213 1 1 34 GLN HE21 H 1.077 -12.265 1.620 1.00 . A W . 34 GLN HE21 1 1 6 4214 1 1 34 GLN HE22 H 1.789 -13.779 2.064 1.00 . A W . 34 GLN HE22 1 1 6 4215 1 1 34 GLN HG2 H 2.918 -11.814 -1.297 1.00 . A W . 34 GLN HG2 1 1 6 4216 1 1 34 GLN HG3 H 1.850 -11.050 -0.120 1.00 . A W . 34 GLN HG3 1 1 6 4217 1 1 34 GLN N N 0.737 -9.884 -2.483 1.00 . A W . 34 GLN N 1 1 6 4218 1 1 34 GLN NE2 N 1.654 -13.037 1.433 1.00 . A W . 34 GLN NE2 1 1 6 4219 1 1 34 GLN O O -0.124 -12.489 -4.698 1.00 . A W . 34 GLN O 1 1 6 4220 1 1 34 GLN OE1 O 3.018 -14.020 -0.043 1.00 . A W . 34 GLN OE1 1 1 6 4221 1 1 35 GLU C C -2.897 -10.475 -5.394 1.00 . A W . 35 GLU C 1 1 6 4222 1 1 35 GLU CA C -2.676 -11.508 -4.290 1.00 . A W . 35 GLU CA 1 1 6 4223 1 1 35 GLU CB C -3.908 -11.597 -3.390 1.00 . A W . 35 GLU CB 1 1 6 4224 1 1 35 GLU CD C -3.693 -14.085 -3.074 1.00 . A W . 35 GLU CD 1 1 6 4225 1 1 35 GLU CG C -3.845 -12.741 -2.394 1.00 . A W . 35 GLU CG 1 1 6 4226 1 1 35 GLU H H -1.585 -10.567 -2.742 1.00 . A W . 35 GLU H 1 1 6 4227 1 1 35 GLU HA H -2.513 -12.471 -4.749 1.00 . A W . 35 GLU HA 1 1 6 4228 1 1 35 GLU HB2 H -4.008 -10.674 -2.837 1.00 . A W . 35 GLU HB2 1 1 6 4229 1 1 35 GLU HB3 H -4.779 -11.733 -4.008 1.00 . A W . 35 GLU HB3 1 1 6 4230 1 1 35 GLU HG2 H -3.003 -12.583 -1.736 1.00 . A W . 35 GLU HG2 1 1 6 4231 1 1 35 GLU HG3 H -4.759 -12.747 -1.814 1.00 . A W . 35 GLU HG3 1 1 6 4232 1 1 35 GLU N N -1.498 -11.185 -3.495 1.00 . A W . 35 GLU N 1 1 6 4233 1 1 35 GLU O O -4.014 -10.303 -5.889 1.00 . A W . 35 GLU O 1 1 6 4234 1 1 35 GLU OE1 O -4.725 -14.699 -3.412 1.00 . A W . 35 GLU OE1 1 1 6 4235 1 1 35 GLU OE2 O -2.550 -14.531 -3.288 1.00 . A W . 35 GLU OE2 1 1 6 4236 1 1 36 LEU C C -0.457 -8.665 -7.434 1.00 . A W . 36 LEU C 1 1 6 4237 1 1 36 LEU CA C -1.853 -8.792 -6.812 1.00 . A W . 36 LEU CA 1 1 6 4238 1 1 36 LEU CB C -2.327 -7.469 -6.190 1.00 . A W . 36 LEU CB 1 1 6 4239 1 1 36 LEU CD1 C -3.287 -6.623 -8.356 1.00 . A W . 36 LEU CD1 1 1 6 4240 1 1 36 LEU CD2 C -2.976 -5.070 -6.413 1.00 . A W . 36 LEU CD2 1 1 6 4241 1 1 36 LEU CG C -2.426 -6.282 -7.145 1.00 . A W . 36 LEU CG 1 1 6 4242 1 1 36 LEU H H -0.951 -10.033 -5.370 1.00 . A W . 36 LEU H 1 1 6 4243 1 1 36 LEU HA H -2.552 -9.100 -7.576 1.00 . A W . 36 LEU HA 1 1 6 4244 1 1 36 LEU HB2 H -3.301 -7.633 -5.754 1.00 . A W . 36 LEU HB2 1 1 6 4245 1 1 36 LEU HB3 H -1.641 -7.203 -5.398 1.00 . A W . 36 LEU HB3 1 1 6 4246 1 1 36 LEU HD11 H -2.856 -7.462 -8.882 1.00 . A W . 36 LEU HD11 1 1 6 4247 1 1 36 LEU HD12 H -3.332 -5.770 -9.017 1.00 . A W . 36 LEU HD12 1 1 6 4248 1 1 36 LEU HD13 H -4.286 -6.879 -8.031 1.00 . A W . 36 LEU HD13 1 1 6 4249 1 1 36 LEU HD21 H -3.004 -4.225 -7.084 1.00 . A W . 36 LEU HD21 1 1 6 4250 1 1 36 LEU HD22 H -2.338 -4.839 -5.570 1.00 . A W . 36 LEU HD22 1 1 6 4251 1 1 36 LEU HD23 H -3.974 -5.283 -6.059 1.00 . A W . 36 LEU HD23 1 1 6 4252 1 1 36 LEU HG H -1.437 -6.039 -7.492 1.00 . A W . 36 LEU HG 1 1 6 4253 1 1 36 LEU N N -1.817 -9.819 -5.787 1.00 . A W . 36 LEU N 1 1 6 4254 1 1 36 LEU O O 0.058 -7.568 -7.667 1.00 . A W . 36 LEU O 1 1 6 4255 1 1 37 LYS C C 1.419 -9.832 -9.791 1.00 . A W . 37 LYS C 1 1 6 4256 1 1 37 LYS CA C 1.489 -9.875 -8.268 1.00 . A W . 37 LYS CA 1 1 6 4257 1 1 37 LYS CB C 2.208 -11.145 -7.802 1.00 . A W . 37 LYS CB 1 1 6 4258 1 1 37 LYS CD C 2.991 -12.542 -5.840 1.00 . A W . 37 LYS CD 1 1 6 4259 1 1 37 LYS CE C 4.480 -12.667 -6.127 1.00 . A W . 37 LYS CE 1 1 6 4260 1 1 37 LYS CG C 2.410 -11.206 -6.295 1.00 . A W . 37 LYS CG 1 1 6 4261 1 1 37 LYS H H -0.315 -10.654 -7.500 1.00 . A W . 37 LYS H 1 1 6 4262 1 1 37 LYS HA H 2.038 -9.013 -7.921 1.00 . A W . 37 LYS HA 1 1 6 4263 1 1 37 LYS HB2 H 1.628 -12.004 -8.102 1.00 . A W . 37 LYS HB2 1 1 6 4264 1 1 37 LYS HB3 H 3.177 -11.192 -8.277 1.00 . A W . 37 LYS HB3 1 1 6 4265 1 1 37 LYS HD2 H 2.831 -12.647 -4.777 1.00 . A W . 37 LYS HD2 1 1 6 4266 1 1 37 LYS HD3 H 2.472 -13.338 -6.358 1.00 . A W . 37 LYS HD3 1 1 6 4267 1 1 37 LYS HE2 H 4.990 -11.818 -5.694 1.00 . A W . 37 LYS HE2 1 1 6 4268 1 1 37 LYS HE3 H 4.842 -13.573 -5.664 1.00 . A W . 37 LYS HE3 1 1 6 4269 1 1 37 LYS HG2 H 3.081 -10.414 -6.001 1.00 . A W . 37 LYS HG2 1 1 6 4270 1 1 37 LYS HG3 H 1.455 -11.060 -5.812 1.00 . A W . 37 LYS HG3 1 1 6 4271 1 1 37 LYS HZ1 H 4.637 -11.772 -8.005 1.00 . A W . 37 LYS HZ1 1 1 6 4272 1 1 37 LYS HZ2 H 4.156 -13.397 -8.050 1.00 . A W . 37 LYS HZ2 1 1 6 4273 1 1 37 LYS HZ3 H 5.774 -13.000 -7.733 1.00 . A W . 37 LYS HZ3 1 1 6 4274 1 1 37 LYS N N 0.153 -9.817 -7.692 1.00 . A W . 37 LYS N 1 1 6 4275 1 1 37 LYS NZ N 4.781 -12.713 -7.577 1.00 . A W . 37 LYS NZ 1 1 6 4276 1 1 37 LYS O O 1.227 -10.900 -10.414 1.00 . A W . 37 LYS O 1 1 6 4277 1 1 37 LYS OXT O 1.537 -8.730 -10.364 1.00 . A W . 37 LYS OXT 1 1 6 4278 2 2 1 PRO C C -2.891 13.287 0.196 1.00 . B P . 101 PRO C 1 1 6 4279 2 2 1 PRO CA C -2.809 14.786 -0.063 1.00 . B P . 101 PRO CA 1 1 6 4280 2 2 1 PRO CB C -2.096 15.487 1.088 1.00 . B P . 101 PRO CB 1 1 6 4281 2 2 1 PRO CD C -4.130 16.642 0.516 1.00 . B P . 101 PRO CD 1 1 6 4282 2 2 1 PRO CG C -3.122 16.431 1.626 1.00 . B P . 101 PRO CG 1 1 6 4283 2 2 1 PRO H2 H -4.801 14.626 0.172 1.00 . B P . 101 PRO H2 1 1 6 4284 2 2 1 PRO H3 H -4.357 15.343 -1.231 1.00 . B P . 101 PRO H3 1 1 6 4285 2 2 1 PRO HA H -2.266 14.961 -0.981 1.00 . B P . 101 PRO HA 1 1 6 4286 2 2 1 PRO HB2 H -1.797 14.759 1.829 1.00 . B P . 101 PRO HB2 1 1 6 4287 2 2 1 PRO HB3 H -1.229 16.015 0.717 1.00 . B P . 101 PRO HB3 1 1 6 4288 2 2 1 PRO HD2 H -5.103 16.872 0.929 1.00 . B P . 101 PRO HD2 1 1 6 4289 2 2 1 PRO HD3 H -3.806 17.434 -0.142 1.00 . B P . 101 PRO HD3 1 1 6 4290 2 2 1 PRO HG2 H -3.606 15.997 2.489 1.00 . B P . 101 PRO HG2 1 1 6 4291 2 2 1 PRO HG3 H -2.655 17.367 1.890 1.00 . B P . 101 PRO HG3 1 1 6 4292 2 2 1 PRO N N -4.163 15.354 -0.197 1.00 . B P . 101 PRO N 1 1 6 4293 2 2 1 PRO O O -3.831 12.820 0.842 1.00 . B P . 101 PRO O 1 1 6 4294 2 2 2 PRO C C -1.322 10.701 1.247 1.00 . B P . 102 PRO C 1 1 6 4295 2 2 2 PRO CA C -1.876 11.066 -0.130 1.00 . B P . 102 PRO CA 1 1 6 4296 2 2 2 PRO CB C -0.918 10.575 -1.237 1.00 . B P . 102 PRO CB 1 1 6 4297 2 2 2 PRO CD C -0.832 12.974 -1.179 1.00 . B P . 102 PRO CD 1 1 6 4298 2 2 2 PRO CG C -0.575 11.780 -2.053 1.00 . B P . 102 PRO CG 1 1 6 4299 2 2 2 PRO HA H -2.849 10.612 -0.260 1.00 . B P . 102 PRO HA 1 1 6 4300 2 2 2 PRO HB2 H -0.035 10.145 -0.785 1.00 . B P . 102 PRO HB2 1 1 6 4301 2 2 2 PRO HB3 H -1.417 9.829 -1.837 1.00 . B P . 102 PRO HB3 1 1 6 4302 2 2 2 PRO HD2 H 0.040 13.208 -0.586 1.00 . B P . 102 PRO HD2 1 1 6 4303 2 2 2 PRO HD3 H -1.132 13.825 -1.770 1.00 . B P . 102 PRO HD3 1 1 6 4304 2 2 2 PRO HG2 H 0.467 11.745 -2.344 1.00 . B P . 102 PRO HG2 1 1 6 4305 2 2 2 PRO HG3 H -1.207 11.815 -2.929 1.00 . B P . 102 PRO HG3 1 1 6 4306 2 2 2 PRO N N -1.931 12.513 -0.332 1.00 . B P . 102 PRO N 1 1 6 4307 2 2 2 PRO O O -0.499 11.428 1.805 1.00 . B P . 102 PRO O 1 1 6 4308 2 2 3 PRO C C 0.086 8.383 2.911 1.00 . B P . 103 PRO C 1 1 6 4309 2 2 3 PRO CA C -1.262 9.075 3.083 1.00 . B P . 103 PRO CA 1 1 6 4310 2 2 3 PRO CB C -2.324 8.048 3.521 1.00 . B P . 103 PRO CB 1 1 6 4311 2 2 3 PRO CD C -2.837 8.723 1.281 1.00 . B P . 103 PRO CD 1 1 6 4312 2 2 3 PRO CG C -3.441 8.151 2.528 1.00 . B P . 103 PRO CG 1 1 6 4313 2 2 3 PRO HA H -1.183 9.860 3.820 1.00 . B P . 103 PRO HA 1 1 6 4314 2 2 3 PRO HB2 H -1.889 7.059 3.512 1.00 . B P . 103 PRO HB2 1 1 6 4315 2 2 3 PRO HB3 H -2.662 8.285 4.520 1.00 . B P . 103 PRO HB3 1 1 6 4316 2 2 3 PRO HD2 H -2.431 7.940 0.657 1.00 . B P . 103 PRO HD2 1 1 6 4317 2 2 3 PRO HD3 H -3.565 9.308 0.739 1.00 . B P . 103 PRO HD3 1 1 6 4318 2 2 3 PRO HG2 H -3.849 7.169 2.332 1.00 . B P . 103 PRO HG2 1 1 6 4319 2 2 3 PRO HG3 H -4.207 8.807 2.910 1.00 . B P . 103 PRO HG3 1 1 6 4320 2 2 3 PRO N N -1.775 9.576 1.813 1.00 . B P . 103 PRO N 1 1 6 4321 2 2 3 PRO O O 0.360 7.792 1.864 1.00 . B P . 103 PRO O 1 1 6 4322 2 2 4 LEU C C 1.915 6.245 4.258 1.00 . B P . 104 LEU C 1 1 6 4323 2 2 4 LEU CA C 2.173 7.706 3.918 1.00 . B P . 104 LEU CA 1 1 6 4324 2 2 4 LEU CB C 3.202 8.332 4.876 1.00 . B P . 104 LEU CB 1 1 6 4325 2 2 4 LEU CD1 C 2.704 7.363 7.162 1.00 . B P . 104 LEU CD1 1 1 6 4326 2 2 4 LEU CD2 C 3.591 9.690 6.955 1.00 . B P . 104 LEU CD2 1 1 6 4327 2 2 4 LEU CG C 2.720 8.622 6.310 1.00 . B P . 104 LEU CG 1 1 6 4328 2 2 4 LEU H H 0.707 9.021 4.699 1.00 . B P . 104 LEU H 1 1 6 4329 2 2 4 LEU HA H 2.567 7.754 2.912 1.00 . B P . 104 LEU HA 1 1 6 4330 2 2 4 LEU HB2 H 4.047 7.661 4.937 1.00 . B P . 104 LEU HB2 1 1 6 4331 2 2 4 LEU HB3 H 3.536 9.260 4.442 1.00 . B P . 104 LEU HB3 1 1 6 4332 2 2 4 LEU HD11 H 3.705 6.960 7.232 1.00 . B P . 104 LEU HD11 1 1 6 4333 2 2 4 LEU HD12 H 2.056 6.629 6.705 1.00 . B P . 104 LEU HD12 1 1 6 4334 2 2 4 LEU HD13 H 2.340 7.600 8.151 1.00 . B P . 104 LEU HD13 1 1 6 4335 2 2 4 LEU HD21 H 3.246 9.881 7.961 1.00 . B P . 104 LEU HD21 1 1 6 4336 2 2 4 LEU HD22 H 3.530 10.602 6.377 1.00 . B P . 104 LEU HD22 1 1 6 4337 2 2 4 LEU HD23 H 4.618 9.349 6.983 1.00 . B P . 104 LEU HD23 1 1 6 4338 2 2 4 LEU HG H 1.710 9.002 6.268 1.00 . B P . 104 LEU HG 1 1 6 4339 2 2 4 LEU N N 0.928 8.455 3.928 1.00 . B P . 104 LEU N 1 1 6 4340 2 2 4 LEU O O 0.984 5.928 5.007 1.00 . B P . 104 LEU O 1 1 6 4341 2 2 5 ILE C C 3.326 3.733 5.411 1.00 . B P . 105 ILE C 1 1 6 4342 2 2 5 ILE CA C 2.637 3.952 4.065 1.00 . B P . 105 ILE CA 1 1 6 4343 2 2 5 ILE CB C 3.307 3.003 3.021 1.00 . B P . 105 ILE CB 1 1 6 4344 2 2 5 ILE CD1 C 3.253 4.540 0.974 1.00 . B P . 105 ILE CD1 1 1 6 4345 2 2 5 ILE CG1 C 2.822 3.225 1.595 1.00 . B P . 105 ILE CG1 1 1 6 4346 2 2 5 ILE CG2 C 3.023 1.552 3.373 1.00 . B P . 105 ILE CG2 1 1 6 4347 2 2 5 ILE H H 3.385 5.647 3.047 1.00 . B P . 105 ILE H 1 1 6 4348 2 2 5 ILE HA H 1.593 3.688 4.150 1.00 . B P . 105 ILE HA 1 1 6 4349 2 2 5 ILE HB H 4.385 3.160 3.053 1.00 . B P . 105 ILE HB 1 1 6 4350 2 2 5 ILE HD11 H 3.845 4.345 0.093 1.00 . B P . 105 ILE HD11 1 1 6 4351 2 2 5 ILE HD12 H 3.843 5.101 1.687 1.00 . B P . 105 ILE HD12 1 1 6 4352 2 2 5 ILE HD13 H 2.373 5.115 0.698 1.00 . B P . 105 ILE HD13 1 1 6 4353 2 2 5 ILE HG12 H 3.229 2.414 0.986 1.00 . B P . 105 ILE HG12 1 1 6 4354 2 2 5 ILE HG13 H 1.739 3.176 1.578 1.00 . B P . 105 ILE HG13 1 1 6 4355 2 2 5 ILE HG21 H 3.518 0.906 2.662 1.00 . B P . 105 ILE HG21 1 1 6 4356 2 2 5 ILE HG22 H 1.960 1.374 3.340 1.00 . B P . 105 ILE HG22 1 1 6 4357 2 2 5 ILE HG23 H 3.390 1.343 4.367 1.00 . B P . 105 ILE HG23 1 1 6 4358 2 2 5 ILE N N 2.725 5.357 3.706 1.00 . B P . 105 ILE N 1 1 6 4359 2 2 5 ILE O O 4.280 4.440 5.743 1.00 . B P . 105 ILE O 1 1 6 4360 2 2 6 PRO C C 4.689 1.236 6.806 1.00 . B P . 106 PRO C 1 1 6 4361 2 2 6 PRO CA C 3.632 2.221 7.316 1.00 . B P . 106 PRO CA 1 1 6 4362 2 2 6 PRO CB C 2.574 1.488 8.154 1.00 . B P . 106 PRO CB 1 1 6 4363 2 2 6 PRO CD C 1.501 2.186 6.133 1.00 . B P . 106 PRO CD 1 1 6 4364 2 2 6 PRO CG C 1.514 1.105 7.173 1.00 . B P . 106 PRO CG 1 1 6 4365 2 2 6 PRO HA H 4.099 2.996 7.899 1.00 . B P . 106 PRO HA 1 1 6 4366 2 2 6 PRO HB2 H 3.018 0.617 8.619 1.00 . B P . 106 PRO HB2 1 1 6 4367 2 2 6 PRO HB3 H 2.186 2.149 8.913 1.00 . B P . 106 PRO HB3 1 1 6 4368 2 2 6 PRO HD2 H 1.313 1.762 5.159 1.00 . B P . 106 PRO HD2 1 1 6 4369 2 2 6 PRO HD3 H 0.752 2.929 6.372 1.00 . B P . 106 PRO HD3 1 1 6 4370 2 2 6 PRO HG2 H 1.752 0.155 6.718 1.00 . B P . 106 PRO HG2 1 1 6 4371 2 2 6 PRO HG3 H 0.556 1.052 7.661 1.00 . B P . 106 PRO HG3 1 1 6 4372 2 2 6 PRO N N 2.853 2.763 6.205 1.00 . B P . 106 PRO N 1 1 6 4373 2 2 6 PRO O O 4.493 0.578 5.785 1.00 . B P . 106 PRO O 1 1 6 4374 2 2 7 PRO C C 6.560 -1.240 7.487 1.00 . B P . 107 PRO C 1 1 6 4375 2 2 7 PRO CA C 6.880 0.193 7.074 1.00 . B P . 107 PRO CA 1 1 6 4376 2 2 7 PRO CB C 8.117 0.716 7.801 1.00 . B P . 107 PRO CB 1 1 6 4377 2 2 7 PRO CD C 6.215 1.901 8.682 1.00 . B P . 107 PRO CD 1 1 6 4378 2 2 7 PRO CG C 7.585 1.367 9.035 1.00 . B P . 107 PRO CG 1 1 6 4379 2 2 7 PRO HA H 7.041 0.227 5.999 1.00 . B P . 107 PRO HA 1 1 6 4380 2 2 7 PRO HB2 H 8.772 -0.109 8.036 1.00 . B P . 107 PRO HB2 1 1 6 4381 2 2 7 PRO HB3 H 8.635 1.426 7.174 1.00 . B P . 107 PRO HB3 1 1 6 4382 2 2 7 PRO HD2 H 5.523 1.722 9.493 1.00 . B P . 107 PRO HD2 1 1 6 4383 2 2 7 PRO HD3 H 6.267 2.957 8.457 1.00 . B P . 107 PRO HD3 1 1 6 4384 2 2 7 PRO HG2 H 7.509 0.637 9.828 1.00 . B P . 107 PRO HG2 1 1 6 4385 2 2 7 PRO HG3 H 8.237 2.174 9.331 1.00 . B P . 107 PRO HG3 1 1 6 4386 2 2 7 PRO N N 5.837 1.128 7.482 1.00 . B P . 107 PRO N 1 1 6 4387 2 2 7 PRO O O 5.905 -1.473 8.506 1.00 . B P . 107 PRO O 1 1 6 4388 2 2 8 PRO C C 7.638 -4.177 8.097 1.00 . B P . 108 PRO C 1 1 6 4389 2 2 8 PRO CA C 6.745 -3.629 6.985 1.00 . B P . 108 PRO CA 1 1 6 4390 2 2 8 PRO CB C 7.056 -4.334 5.650 1.00 . B P . 108 PRO CB 1 1 6 4391 2 2 8 PRO CD C 7.806 -2.057 5.486 1.00 . B P . 108 PRO CD 1 1 6 4392 2 2 8 PRO CG C 7.402 -3.251 4.676 1.00 . B P . 108 PRO CG 1 1 6 4393 2 2 8 PRO HA H 5.710 -3.787 7.248 1.00 . B P . 108 PRO HA 1 1 6 4394 2 2 8 PRO HB2 H 7.883 -5.013 5.784 1.00 . B P . 108 PRO HB2 1 1 6 4395 2 2 8 PRO HB3 H 6.185 -4.886 5.325 1.00 . B P . 108 PRO HB3 1 1 6 4396 2 2 8 PRO HD2 H 8.863 -2.079 5.700 1.00 . B P . 108 PRO HD2 1 1 6 4397 2 2 8 PRO HD3 H 7.537 -1.146 4.975 1.00 . B P . 108 PRO HD3 1 1 6 4398 2 2 8 PRO HG2 H 8.222 -3.568 4.049 1.00 . B P . 108 PRO HG2 1 1 6 4399 2 2 8 PRO HG3 H 6.538 -3.016 4.072 1.00 . B P . 108 PRO HG3 1 1 6 4400 2 2 8 PRO N N 7.016 -2.224 6.706 1.00 . B P . 108 PRO N 1 1 6 4401 2 2 8 PRO O O 8.776 -3.733 8.270 1.00 . B P . 108 PRO O 1 1 6 4402 2 2 9 PRO C C 8.796 -6.898 9.288 1.00 . B P . 109 PRO C 1 1 6 4403 2 2 9 PRO CA C 7.882 -5.840 9.898 1.00 . B P . 109 PRO CA 1 1 6 4404 2 2 9 PRO CB C 6.801 -6.494 10.779 1.00 . B P . 109 PRO CB 1 1 6 4405 2 2 9 PRO CD C 5.736 -5.609 8.826 1.00 . B P . 109 PRO CD 1 1 6 4406 2 2 9 PRO CG C 5.492 -5.999 10.254 1.00 . B P . 109 PRO CG 1 1 6 4407 2 2 9 PRO HA H 8.471 -5.156 10.490 1.00 . B P . 109 PRO HA 1 1 6 4408 2 2 9 PRO HB2 H 6.873 -7.569 10.701 1.00 . B P . 109 PRO HB2 1 1 6 4409 2 2 9 PRO HB3 H 6.948 -6.194 11.805 1.00 . B P . 109 PRO HB3 1 1 6 4410 2 2 9 PRO HD2 H 5.633 -6.467 8.173 1.00 . B P . 109 PRO HD2 1 1 6 4411 2 2 9 PRO HD3 H 5.069 -4.817 8.526 1.00 . B P . 109 PRO HD3 1 1 6 4412 2 2 9 PRO HG2 H 4.756 -6.787 10.308 1.00 . B P . 109 PRO HG2 1 1 6 4413 2 2 9 PRO HG3 H 5.171 -5.143 10.829 1.00 . B P . 109 PRO HG3 1 1 6 4414 2 2 9 PRO N N 7.121 -5.142 8.868 1.00 . B P . 109 PRO N 1 1 6 4415 2 2 9 PRO O O 10.013 -6.639 9.181 1.00 . B P . 109 PRO O 1 1 6 4416 2 2 9 PRO OXT O 8.285 -7.969 8.888 1.00 . B P . 109 PRO OXT 1 1 7 4417 1 1 1 GLY C C -19.968 -10.578 0.970 1.00 . A W . 1 GLY C 1 1 7 4418 1 1 1 GLY CA C -21.252 -11.134 1.560 1.00 . A W . 1 GLY CA 1 1 7 4419 1 1 1 GLY H1 H -23.118 -10.476 2.237 1.00 . A W . 1 GLY H1 1 1 7 4420 1 1 1 GLY H2 H -22.372 -9.432 1.122 1.00 . A W . 1 GLY H2 1 1 7 4421 1 1 1 GLY H3 H -21.819 -9.493 2.719 1.00 . A W . 1 GLY H3 1 1 7 4422 1 1 1 GLY HA2 H -21.012 -11.710 2.442 1.00 . A W . 1 GLY HA2 1 1 7 4423 1 1 1 GLY HA3 H -21.719 -11.783 0.833 1.00 . A W . 1 GLY HA3 1 1 7 4424 1 1 1 GLY N N -22.206 -10.062 1.934 1.00 . A W . 1 GLY N 1 1 7 4425 1 1 1 GLY O O -19.964 -10.067 -0.148 1.00 . A W . 1 GLY O 1 1 7 4426 1 1 2 ALA C C -16.489 -11.202 1.576 1.00 . A W . 2 ALA C 1 1 7 4427 1 1 2 ALA CA C -17.579 -10.186 1.264 1.00 . A W . 2 ALA CA 1 1 7 4428 1 1 2 ALA CB C -17.267 -8.842 1.916 1.00 . A W . 2 ALA CB 1 1 7 4429 1 1 2 ALA H H -18.937 -11.126 2.600 1.00 . A W . 2 ALA H 1 1 7 4430 1 1 2 ALA HA H -17.629 -10.042 0.196 1.00 . A W . 2 ALA HA 1 1 7 4431 1 1 2 ALA HB1 H -18.046 -8.136 1.675 1.00 . A W . 2 ALA HB1 1 1 7 4432 1 1 2 ALA HB2 H -16.319 -8.473 1.548 1.00 . A W . 2 ALA HB2 1 1 7 4433 1 1 2 ALA HB3 H -17.211 -8.965 2.989 1.00 . A W . 2 ALA HB3 1 1 7 4434 1 1 2 ALA N N -18.874 -10.683 1.717 1.00 . A W . 2 ALA N 1 1 7 4435 1 1 2 ALA O O -16.616 -11.978 2.524 1.00 . A W . 2 ALA O 1 1 7 4436 1 1 3 THR C C -13.137 -11.763 0.136 1.00 . A W . 3 THR C 1 1 7 4437 1 1 3 THR CA C -14.351 -12.164 0.974 1.00 . A W . 3 THR CA 1 1 7 4438 1 1 3 THR CB C -14.807 -13.595 0.592 1.00 . A W . 3 THR CB 1 1 7 4439 1 1 3 THR CG2 C -15.045 -13.721 -0.911 1.00 . A W . 3 THR CG2 1 1 7 4440 1 1 3 THR H H -15.363 -10.561 0.045 1.00 . A W . 3 THR H 1 1 7 4441 1 1 3 THR HA H -14.078 -12.156 2.023 1.00 . A W . 3 THR HA 1 1 7 4442 1 1 3 THR HB H -15.738 -13.796 1.101 1.00 . A W . 3 THR HB 1 1 7 4443 1 1 3 THR HG1 H -13.873 -15.340 0.421 1.00 . A W . 3 THR HG1 1 1 7 4444 1 1 3 THR HG21 H -15.312 -14.741 -1.148 1.00 . A W . 3 THR HG21 1 1 7 4445 1 1 3 THR HG22 H -14.145 -13.453 -1.445 1.00 . A W . 3 THR HG22 1 1 7 4446 1 1 3 THR HG23 H -15.849 -13.062 -1.206 1.00 . A W . 3 THR HG23 1 1 7 4447 1 1 3 THR N N -15.426 -11.209 0.781 1.00 . A W . 3 THR N 1 1 7 4448 1 1 3 THR O O -13.185 -10.757 -0.574 1.00 . A W . 3 THR O 1 1 7 4449 1 1 3 THR OG1 O -13.837 -14.565 1.013 1.00 . A W . 3 THR OG1 1 1 7 4450 1 1 4 ALA C C -10.153 -11.031 -0.185 1.00 . A W . 4 ALA C 1 1 7 4451 1 1 4 ALA CA C -10.839 -12.349 -0.532 1.00 . A W . 4 ALA CA 1 1 7 4452 1 1 4 ALA CB C -11.121 -12.436 -2.032 1.00 . A W . 4 ALA CB 1 1 7 4453 1 1 4 ALA H H -12.108 -13.311 0.864 1.00 . A W . 4 ALA H 1 1 7 4454 1 1 4 ALA HA H -10.166 -13.154 -0.282 1.00 . A W . 4 ALA HA 1 1 7 4455 1 1 4 ALA HB1 H -11.752 -11.614 -2.332 1.00 . A W . 4 ALA HB1 1 1 7 4456 1 1 4 ALA HB2 H -11.617 -13.369 -2.257 1.00 . A W . 4 ALA HB2 1 1 7 4457 1 1 4 ALA HB3 H -10.189 -12.390 -2.576 1.00 . A W . 4 ALA HB3 1 1 7 4458 1 1 4 ALA N N -12.067 -12.552 0.242 1.00 . A W . 4 ALA N 1 1 7 4459 1 1 4 ALA O O -10.639 -10.252 0.644 1.00 . A W . 4 ALA O 1 1 7 4460 1 1 5 VAL C C -8.284 -8.780 -1.968 1.00 . A W . 5 VAL C 1 1 7 4461 1 1 5 VAL CA C -8.310 -9.535 -0.649 1.00 . A W . 5 VAL CA 1 1 7 4462 1 1 5 VAL CB C -6.875 -9.685 -0.095 1.00 . A W . 5 VAL CB 1 1 7 4463 1 1 5 VAL CG1 C -6.909 -10.068 1.375 1.00 . A W . 5 VAL CG1 1 1 7 4464 1 1 5 VAL CG2 C -6.070 -10.703 -0.886 1.00 . A W . 5 VAL CG2 1 1 7 4465 1 1 5 VAL H H -8.607 -11.512 -1.357 1.00 . A W . 5 VAL H 1 1 7 4466 1 1 5 VAL HA H -8.877 -8.947 0.058 1.00 . A W . 5 VAL HA 1 1 7 4467 1 1 5 VAL HB H -6.382 -8.729 -0.180 1.00 . A W . 5 VAL HB 1 1 7 4468 1 1 5 VAL HG11 H -7.428 -11.006 1.492 1.00 . A W . 5 VAL HG11 1 1 7 4469 1 1 5 VAL HG12 H -7.423 -9.298 1.934 1.00 . A W . 5 VAL HG12 1 1 7 4470 1 1 5 VAL HG13 H -5.900 -10.169 1.742 1.00 . A W . 5 VAL HG13 1 1 7 4471 1 1 5 VAL HG21 H -5.081 -10.786 -0.463 1.00 . A W . 5 VAL HG21 1 1 7 4472 1 1 5 VAL HG22 H -5.993 -10.383 -1.914 1.00 . A W . 5 VAL HG22 1 1 7 4473 1 1 5 VAL HG23 H -6.561 -11.664 -0.844 1.00 . A W . 5 VAL HG23 1 1 7 4474 1 1 5 VAL N N -9.000 -10.805 -0.794 1.00 . A W . 5 VAL N 1 1 7 4475 1 1 5 VAL O O -7.727 -9.242 -2.964 1.00 . A W . 5 VAL O 1 1 7 4476 1 1 6 SER C C -9.497 -5.414 -2.717 1.00 . A W . 6 SER C 1 1 7 4477 1 1 6 SER CA C -9.005 -6.782 -3.135 1.00 . A W . 6 SER CA 1 1 7 4478 1 1 6 SER CB C -9.957 -7.429 -4.154 1.00 . A W . 6 SER CB 1 1 7 4479 1 1 6 SER H H -9.238 -7.266 -1.108 1.00 . A W . 6 SER H 1 1 7 4480 1 1 6 SER HA H -8.025 -6.673 -3.575 1.00 . A W . 6 SER HA 1 1 7 4481 1 1 6 SER HB2 H -9.646 -8.438 -4.333 1.00 . A W . 6 SER HB2 1 1 7 4482 1 1 6 SER HB3 H -10.963 -7.423 -3.760 1.00 . A W . 6 SER HB3 1 1 7 4483 1 1 6 SER HG H -9.461 -7.247 -6.052 1.00 . A W . 6 SER HG 1 1 7 4484 1 1 6 SER N N -8.875 -7.603 -1.952 1.00 . A W . 6 SER N 1 1 7 4485 1 1 6 SER O O -9.342 -5.040 -1.554 1.00 . A W . 6 SER O 1 1 7 4486 1 1 6 SER OG O -9.948 -6.733 -5.395 1.00 . A W . 6 SER OG 1 1 7 4487 1 1 7 GLU C C -9.059 -2.554 -3.249 1.00 . A W . 7 GLU C 1 1 7 4488 1 1 7 GLU CA C -10.375 -3.283 -3.466 1.00 . A W . 7 GLU CA 1 1 7 4489 1 1 7 GLU CB C -11.340 -3.059 -2.293 1.00 . A W . 7 GLU CB 1 1 7 4490 1 1 7 GLU CD C -13.486 -3.348 -3.606 1.00 . A W . 7 GLU CD 1 1 7 4491 1 1 7 GLU CG C -12.651 -3.818 -2.430 1.00 . A W . 7 GLU CG 1 1 7 4492 1 1 7 GLU H H -10.304 -5.121 -4.507 1.00 . A W . 7 GLU H 1 1 7 4493 1 1 7 GLU HA H -10.832 -2.917 -4.378 1.00 . A W . 7 GLU HA 1 1 7 4494 1 1 7 GLU HB2 H -10.858 -3.379 -1.383 1.00 . A W . 7 GLU HB2 1 1 7 4495 1 1 7 GLU HB3 H -11.567 -2.005 -2.218 1.00 . A W . 7 GLU HB3 1 1 7 4496 1 1 7 GLU HG2 H -12.430 -4.868 -2.564 1.00 . A W . 7 GLU HG2 1 1 7 4497 1 1 7 GLU HG3 H -13.226 -3.688 -1.521 1.00 . A W . 7 GLU HG3 1 1 7 4498 1 1 7 GLU N N -10.077 -4.691 -3.654 1.00 . A W . 7 GLU N 1 1 7 4499 1 1 7 GLU O O -8.686 -2.205 -2.127 1.00 . A W . 7 GLU O 1 1 7 4500 1 1 7 GLU OE1 O -13.158 -3.699 -4.762 1.00 . A W . 7 GLU OE1 1 1 7 4501 1 1 7 GLU OE2 O -14.478 -2.629 -3.379 1.00 . A W . 7 GLU OE2 1 1 7 4502 1 1 8 TRP C C -6.919 -0.553 -5.156 1.00 . A W . 8 TRP C 1 1 7 4503 1 1 8 TRP CA C -7.000 -1.817 -4.317 1.00 . A W . 8 TRP CA 1 1 7 4504 1 1 8 TRP CB C -6.022 -2.847 -4.917 1.00 . A W . 8 TRP CB 1 1 7 4505 1 1 8 TRP CD1 C -6.241 -5.409 -4.784 1.00 . A W . 8 TRP CD1 1 1 7 4506 1 1 8 TRP CD2 C -5.769 -4.407 -2.849 1.00 . A W . 8 TRP CD2 1 1 7 4507 1 1 8 TRP CE2 C -5.857 -5.790 -2.617 1.00 . A W . 8 TRP CE2 1 1 7 4508 1 1 8 TRP CE3 C -5.483 -3.566 -1.791 1.00 . A W . 8 TRP CE3 1 1 7 4509 1 1 8 TRP CG C -6.014 -4.180 -4.228 1.00 . A W . 8 TRP CG 1 1 7 4510 1 1 8 TRP CH2 C -5.401 -5.483 -0.320 1.00 . A W . 8 TRP CH2 1 1 7 4511 1 1 8 TRP CZ2 C -5.667 -6.346 -1.349 1.00 . A W . 8 TRP CZ2 1 1 7 4512 1 1 8 TRP CZ3 C -5.307 -4.111 -0.541 1.00 . A W . 8 TRP CZ3 1 1 7 4513 1 1 8 TRP H H -8.758 -2.557 -5.218 1.00 . A W . 8 TRP H 1 1 7 4514 1 1 8 TRP HA H -6.724 -1.603 -3.287 1.00 . A W . 8 TRP HA 1 1 7 4515 1 1 8 TRP HB2 H -6.287 -3.017 -5.948 1.00 . A W . 8 TRP HB2 1 1 7 4516 1 1 8 TRP HB3 H -5.020 -2.446 -4.874 1.00 . A W . 8 TRP HB3 1 1 7 4517 1 1 8 TRP HD1 H -6.455 -5.577 -5.830 1.00 . A W . 8 TRP HD1 1 1 7 4518 1 1 8 TRP HE1 H -6.259 -7.349 -3.967 1.00 . A W . 8 TRP HE1 1 1 7 4519 1 1 8 TRP HE3 H -5.387 -2.500 -1.944 1.00 . A W . 8 TRP HE3 1 1 7 4520 1 1 8 TRP HH2 H -5.248 -5.850 0.692 1.00 . A W . 8 TRP HH2 1 1 7 4521 1 1 8 TRP HZ2 H -5.740 -7.409 -1.170 1.00 . A W . 8 TRP HZ2 1 1 7 4522 1 1 8 TRP HZ3 H -5.124 -3.464 0.301 1.00 . A W . 8 TRP HZ3 1 1 7 4523 1 1 8 TRP N N -8.358 -2.334 -4.350 1.00 . A W . 8 TRP N 1 1 7 4524 1 1 8 TRP NE1 N -6.136 -6.385 -3.819 1.00 . A W . 8 TRP NE1 1 1 7 4525 1 1 8 TRP O O -7.306 -0.552 -6.326 1.00 . A W . 8 TRP O 1 1 7 4526 1 1 9 THR C C -4.801 2.047 -5.499 1.00 . A W . 9 THR C 1 1 7 4527 1 1 9 THR CA C -6.254 1.748 -5.301 1.00 . A W . 9 THR CA 1 1 7 4528 1 1 9 THR CB C -6.964 2.976 -4.674 1.00 . A W . 9 THR CB 1 1 7 4529 1 1 9 THR CG2 C -6.945 2.917 -3.155 1.00 . A W . 9 THR CG2 1 1 7 4530 1 1 9 THR H H -6.249 0.503 -3.598 1.00 . A W . 9 THR H 1 1 7 4531 1 1 9 THR HA H -6.691 1.589 -6.275 1.00 . A W . 9 THR HA 1 1 7 4532 1 1 9 THR HB H -7.962 2.956 -5.018 1.00 . A W . 9 THR HB 1 1 7 4533 1 1 9 THR HG1 H -6.700 4.411 -6.018 1.00 . A W . 9 THR HG1 1 1 7 4534 1 1 9 THR HG21 H -5.916 2.944 -2.810 1.00 . A W . 9 THR HG21 1 1 7 4535 1 1 9 THR HG22 H -7.414 2.003 -2.818 1.00 . A W . 9 THR HG22 1 1 7 4536 1 1 9 THR HG23 H -7.480 3.765 -2.756 1.00 . A W . 9 THR HG23 1 1 7 4537 1 1 9 THR N N -6.456 0.526 -4.557 1.00 . A W . 9 THR N 1 1 7 4538 1 1 9 THR O O -3.912 1.453 -4.890 1.00 . A W . 9 THR O 1 1 7 4539 1 1 9 THR OG1 O -6.409 4.224 -5.114 1.00 . A W . 9 THR OG1 1 1 7 4540 1 1 10 GLU C C -3.028 4.814 -6.184 1.00 . A W . 10 GLU C 1 1 7 4541 1 1 10 GLU CA C -3.325 3.451 -6.785 1.00 . A W . 10 GLU CA 1 1 7 4542 1 1 10 GLU CB C -3.268 3.488 -8.309 1.00 . A W . 10 GLU CB 1 1 7 4543 1 1 10 GLU CD C -5.746 3.601 -8.881 1.00 . A W . 10 GLU CD 1 1 7 4544 1 1 10 GLU CG C -4.391 4.280 -8.979 1.00 . A W . 10 GLU CG 1 1 7 4545 1 1 10 GLU H H -5.438 3.422 -6.722 1.00 . A W . 10 GLU H 1 1 7 4546 1 1 10 GLU HA H -2.590 2.745 -6.424 1.00 . A W . 10 GLU HA 1 1 7 4547 1 1 10 GLU HB2 H -2.326 3.911 -8.616 1.00 . A W . 10 GLU HB2 1 1 7 4548 1 1 10 GLU HB3 H -3.323 2.477 -8.656 1.00 . A W . 10 GLU HB3 1 1 7 4549 1 1 10 GLU HG2 H -4.460 5.246 -8.505 1.00 . A W . 10 GLU HG2 1 1 7 4550 1 1 10 GLU HG3 H -4.146 4.411 -10.024 1.00 . A W . 10 GLU HG3 1 1 7 4551 1 1 10 GLU N N -4.618 2.987 -6.363 1.00 . A W . 10 GLU N 1 1 7 4552 1 1 10 GLU O O -3.708 5.805 -6.459 1.00 . A W . 10 GLU O 1 1 7 4553 1 1 10 GLU OE1 O -6.009 2.669 -9.669 1.00 . A W . 10 GLU OE1 1 1 7 4554 1 1 10 GLU OE2 O -6.550 3.983 -7.996 1.00 . A W . 10 GLU OE2 1 1 7 4555 1 1 11 TYR C C -0.141 6.366 -4.986 1.00 . A W . 11 TYR C 1 1 7 4556 1 1 11 TYR CA C -1.600 6.072 -4.698 1.00 . A W . 11 TYR CA 1 1 7 4557 1 1 11 TYR CB C -1.840 5.982 -3.189 1.00 . A W . 11 TYR CB 1 1 7 4558 1 1 11 TYR CD1 C -4.355 5.752 -2.998 1.00 . A W . 11 TYR CD1 1 1 7 4559 1 1 11 TYR CD2 C -3.324 7.706 -2.107 1.00 . A W . 11 TYR CD2 1 1 7 4560 1 1 11 TYR CE1 C -5.593 6.227 -2.604 1.00 . A W . 11 TYR CE1 1 1 7 4561 1 1 11 TYR CE2 C -4.555 8.184 -1.714 1.00 . A W . 11 TYR CE2 1 1 7 4562 1 1 11 TYR CG C -3.199 6.485 -2.754 1.00 . A W . 11 TYR CG 1 1 7 4563 1 1 11 TYR CZ C -5.686 7.442 -1.962 1.00 . A W . 11 TYR CZ 1 1 7 4564 1 1 11 TYR H H -1.514 4.017 -5.178 1.00 . A W . 11 TYR H 1 1 7 4565 1 1 11 TYR HA H -2.199 6.878 -5.097 1.00 . A W . 11 TYR HA 1 1 7 4566 1 1 11 TYR HB2 H -1.756 4.949 -2.884 1.00 . A W . 11 TYR HB2 1 1 7 4567 1 1 11 TYR HB3 H -1.090 6.567 -2.679 1.00 . A W . 11 TYR HB3 1 1 7 4568 1 1 11 TYR HD1 H -4.280 4.796 -3.500 1.00 . A W . 11 TYR HD1 1 1 7 4569 1 1 11 TYR HD2 H -2.435 8.287 -1.903 1.00 . A W . 11 TYR HD2 1 1 7 4570 1 1 11 TYR HE1 H -6.481 5.643 -2.796 1.00 . A W . 11 TYR HE1 1 1 7 4571 1 1 11 TYR HE2 H -4.627 9.135 -1.210 1.00 . A W . 11 TYR HE2 1 1 7 4572 1 1 11 TYR HH H -7.425 7.194 -1.196 1.00 . A W . 11 TYR HH 1 1 7 4573 1 1 11 TYR N N -2.011 4.849 -5.355 1.00 . A W . 11 TYR N 1 1 7 4574 1 1 11 TYR O O 0.751 5.601 -4.624 1.00 . A W . 11 TYR O 1 1 7 4575 1 1 11 TYR OH O -6.915 7.917 -1.570 1.00 . A W . 11 TYR OH 1 1 7 4576 1 1 12 LYS C C 1.841 9.061 -5.098 1.00 . A W . 12 LYS C 1 1 7 4577 1 1 12 LYS CA C 1.430 7.913 -6.004 1.00 . A W . 12 LYS CA 1 1 7 4578 1 1 12 LYS CB C 1.499 8.355 -7.465 1.00 . A W . 12 LYS CB 1 1 7 4579 1 1 12 LYS CD C 1.072 7.810 -9.870 1.00 . A W . 12 LYS CD 1 1 7 4580 1 1 12 LYS CE C -0.081 8.797 -10.013 1.00 . A W . 12 LYS CE 1 1 7 4581 1 1 12 LYS CG C 1.163 7.256 -8.457 1.00 . A W . 12 LYS CG 1 1 7 4582 1 1 12 LYS H H -0.674 8.016 -5.961 1.00 . A W . 12 LYS H 1 1 7 4583 1 1 12 LYS HA H 2.105 7.084 -5.848 1.00 . A W . 12 LYS HA 1 1 7 4584 1 1 12 LYS HB2 H 0.804 9.168 -7.615 1.00 . A W . 12 LYS HB2 1 1 7 4585 1 1 12 LYS HB3 H 2.495 8.704 -7.678 1.00 . A W . 12 LYS HB3 1 1 7 4586 1 1 12 LYS HD2 H 1.996 8.318 -10.104 1.00 . A W . 12 LYS HD2 1 1 7 4587 1 1 12 LYS HD3 H 0.923 6.992 -10.557 1.00 . A W . 12 LYS HD3 1 1 7 4588 1 1 12 LYS HE2 H -1.008 8.280 -9.807 1.00 . A W . 12 LYS HE2 1 1 7 4589 1 1 12 LYS HE3 H 0.051 9.596 -9.294 1.00 . A W . 12 LYS HE3 1 1 7 4590 1 1 12 LYS HG2 H 1.937 6.501 -8.422 1.00 . A W . 12 LYS HG2 1 1 7 4591 1 1 12 LYS HG3 H 0.214 6.813 -8.190 1.00 . A W . 12 LYS HG3 1 1 7 4592 1 1 12 LYS HZ1 H -0.112 8.628 -12.093 1.00 . A W . 12 LYS HZ1 1 1 7 4593 1 1 12 LYS HZ2 H 0.647 10.034 -11.532 1.00 . A W . 12 LYS HZ2 1 1 7 4594 1 1 12 LYS HZ3 H -1.040 9.918 -11.495 1.00 . A W . 12 LYS HZ3 1 1 7 4595 1 1 12 LYS N N 0.088 7.473 -5.671 1.00 . A W . 12 LYS N 1 1 7 4596 1 1 12 LYS NZ N -0.152 9.385 -11.375 1.00 . A W . 12 LYS NZ 1 1 7 4597 1 1 12 LYS O O 1.259 10.149 -5.159 1.00 . A W . 12 LYS O 1 1 7 4598 1 1 13 THR C C 4.270 10.771 -4.071 1.00 . A W . 13 THR C 1 1 7 4599 1 1 13 THR CA C 3.320 9.831 -3.340 1.00 . A W . 13 THR CA 1 1 7 4600 1 1 13 THR CB C 4.030 9.197 -2.126 1.00 . A W . 13 THR CB 1 1 7 4601 1 1 13 THR CG2 C 3.063 8.325 -1.336 1.00 . A W . 13 THR CG2 1 1 7 4602 1 1 13 THR H H 3.241 7.919 -4.239 1.00 . A W . 13 THR H 1 1 7 4603 1 1 13 THR HA H 2.472 10.401 -2.982 1.00 . A W . 13 THR HA 1 1 7 4604 1 1 13 THR HB H 4.386 9.988 -1.485 1.00 . A W . 13 THR HB 1 1 7 4605 1 1 13 THR HG1 H 5.886 8.531 -1.930 1.00 . A W . 13 THR HG1 1 1 7 4606 1 1 13 THR HG21 H 3.588 7.847 -0.524 1.00 . A W . 13 THR HG21 1 1 7 4607 1 1 13 THR HG22 H 2.646 7.569 -1.987 1.00 . A W . 13 THR HG22 1 1 7 4608 1 1 13 THR HG23 H 2.269 8.938 -0.942 1.00 . A W . 13 THR HG23 1 1 7 4609 1 1 13 THR N N 2.825 8.812 -4.250 1.00 . A W . 13 THR N 1 1 7 4610 1 1 13 THR O O 4.626 10.532 -5.229 1.00 . A W . 13 THR O 1 1 7 4611 1 1 13 THR OG1 O 5.150 8.405 -2.558 1.00 . A W . 13 THR OG1 1 1 7 4612 1 1 14 ALA C C 6.975 12.275 -4.221 1.00 . A W . 14 ALA C 1 1 7 4613 1 1 14 ALA CA C 5.569 12.825 -4.004 1.00 . A W . 14 ALA CA 1 1 7 4614 1 1 14 ALA CB C 5.609 14.079 -3.146 1.00 . A W . 14 ALA CB 1 1 7 4615 1 1 14 ALA H H 4.447 11.928 -2.447 1.00 . A W . 14 ALA H 1 1 7 4616 1 1 14 ALA HA H 5.147 13.085 -4.964 1.00 . A W . 14 ALA HA 1 1 7 4617 1 1 14 ALA HB1 H 6.080 13.857 -2.199 1.00 . A W . 14 ALA HB1 1 1 7 4618 1 1 14 ALA HB2 H 4.602 14.425 -2.975 1.00 . A W . 14 ALA HB2 1 1 7 4619 1 1 14 ALA HB3 H 6.170 14.844 -3.657 1.00 . A W . 14 ALA HB3 1 1 7 4620 1 1 14 ALA N N 4.703 11.825 -3.392 1.00 . A W . 14 ALA N 1 1 7 4621 1 1 14 ALA O O 7.826 12.921 -4.833 1.00 . A W . 14 ALA O 1 1 7 4622 1 1 15 ASP C C 8.515 9.662 -5.208 1.00 . A W . 15 ASP C 1 1 7 4623 1 1 15 ASP CA C 8.481 10.394 -3.877 1.00 . A W . 15 ASP CA 1 1 7 4624 1 1 15 ASP CB C 8.704 9.392 -2.741 1.00 . A W . 15 ASP CB 1 1 7 4625 1 1 15 ASP CG C 8.179 9.889 -1.413 1.00 . A W . 15 ASP CG 1 1 7 4626 1 1 15 ASP H H 6.486 10.617 -3.223 1.00 . A W . 15 ASP H 1 1 7 4627 1 1 15 ASP HA H 9.262 11.139 -3.858 1.00 . A W . 15 ASP HA 1 1 7 4628 1 1 15 ASP HB2 H 8.201 8.469 -2.981 1.00 . A W . 15 ASP HB2 1 1 7 4629 1 1 15 ASP HB3 H 9.764 9.204 -2.640 1.00 . A W . 15 ASP HB3 1 1 7 4630 1 1 15 ASP N N 7.203 11.070 -3.720 1.00 . A W . 15 ASP N 1 1 7 4631 1 1 15 ASP O O 9.523 9.055 -5.572 1.00 . A W . 15 ASP O 1 1 7 4632 1 1 15 ASP OD1 O 8.829 10.756 -0.796 1.00 . A W . 15 ASP OD1 1 1 7 4633 1 1 15 ASP OD2 O 7.095 9.430 -1.001 1.00 . A W . 15 ASP OD2 1 1 7 4634 1 1 16 GLY C C 7.063 7.540 -7.006 1.00 . A W . 16 GLY C 1 1 7 4635 1 1 16 GLY CA C 7.293 9.024 -7.195 1.00 . A W . 16 GLY CA 1 1 7 4636 1 1 16 GLY H H 6.615 10.200 -5.571 1.00 . A W . 16 GLY H 1 1 7 4637 1 1 16 GLY HA2 H 6.476 9.445 -7.760 1.00 . A W . 16 GLY HA2 1 1 7 4638 1 1 16 GLY HA3 H 8.214 9.171 -7.743 1.00 . A W . 16 GLY HA3 1 1 7 4639 1 1 16 GLY N N 7.391 9.704 -5.922 1.00 . A W . 16 GLY N 1 1 7 4640 1 1 16 GLY O O 7.451 6.731 -7.843 1.00 . A W . 16 GLY O 1 1 7 4641 1 1 17 LYS C C 4.791 5.381 -5.745 1.00 . A W . 17 LYS C 1 1 7 4642 1 1 17 LYS CA C 6.235 5.796 -5.528 1.00 . A W . 17 LYS CA 1 1 7 4643 1 1 17 LYS CB C 6.634 5.576 -4.065 1.00 . A W . 17 LYS CB 1 1 7 4644 1 1 17 LYS CD C 8.974 4.741 -4.455 1.00 . A W . 17 LYS CD 1 1 7 4645 1 1 17 LYS CE C 10.457 4.998 -4.226 1.00 . A W . 17 LYS CE 1 1 7 4646 1 1 17 LYS CG C 8.113 5.806 -3.800 1.00 . A W . 17 LYS CG 1 1 7 4647 1 1 17 LYS H H 6.074 7.889 -5.307 1.00 . A W . 17 LYS H 1 1 7 4648 1 1 17 LYS HA H 6.868 5.195 -6.160 1.00 . A W . 17 LYS HA 1 1 7 4649 1 1 17 LYS HB2 H 6.070 6.259 -3.445 1.00 . A W . 17 LYS HB2 1 1 7 4650 1 1 17 LYS HB3 H 6.392 4.563 -3.782 1.00 . A W . 17 LYS HB3 1 1 7 4651 1 1 17 LYS HD2 H 8.718 3.780 -4.032 1.00 . A W . 17 LYS HD2 1 1 7 4652 1 1 17 LYS HD3 H 8.776 4.730 -5.517 1.00 . A W . 17 LYS HD3 1 1 7 4653 1 1 17 LYS HE2 H 10.633 5.063 -3.163 1.00 . A W . 17 LYS HE2 1 1 7 4654 1 1 17 LYS HE3 H 11.017 4.169 -4.632 1.00 . A W . 17 LYS HE3 1 1 7 4655 1 1 17 LYS HG2 H 8.393 6.771 -4.197 1.00 . A W . 17 LYS HG2 1 1 7 4656 1 1 17 LYS HG3 H 8.283 5.792 -2.734 1.00 . A W . 17 LYS HG3 1 1 7 4657 1 1 17 LYS HZ1 H 10.576 7.090 -4.341 1.00 . A W . 17 LYS HZ1 1 1 7 4658 1 1 17 LYS HZ2 H 10.590 6.315 -5.853 1.00 . A W . 17 LYS HZ2 1 1 7 4659 1 1 17 LYS HZ3 H 11.969 6.287 -4.874 1.00 . A W . 17 LYS HZ3 1 1 7 4660 1 1 17 LYS N N 6.431 7.188 -5.893 1.00 . A W . 17 LYS N 1 1 7 4661 1 1 17 LYS NZ N 10.927 6.263 -4.865 1.00 . A W . 17 LYS NZ 1 1 7 4662 1 1 17 LYS O O 3.869 6.038 -5.267 1.00 . A W . 17 LYS O 1 1 7 4663 1 1 18 THR C C 2.960 2.743 -5.616 1.00 . A W . 18 THR C 1 1 7 4664 1 1 18 THR CA C 3.290 3.748 -6.714 1.00 . A W . 18 THR CA 1 1 7 4665 1 1 18 THR CB C 3.221 3.053 -8.091 1.00 . A W . 18 THR CB 1 1 7 4666 1 1 18 THR CG2 C 1.862 2.398 -8.320 1.00 . A W . 18 THR CG2 1 1 7 4667 1 1 18 THR H H 5.382 3.879 -6.911 1.00 . A W . 18 THR H 1 1 7 4668 1 1 18 THR HA H 2.570 4.556 -6.695 1.00 . A W . 18 THR HA 1 1 7 4669 1 1 18 THR HB H 3.982 2.283 -8.119 1.00 . A W . 18 THR HB 1 1 7 4670 1 1 18 THR HG1 H 3.681 4.867 -8.722 1.00 . A W . 18 THR HG1 1 1 7 4671 1 1 18 THR HG21 H 1.080 3.122 -8.149 1.00 . A W . 18 THR HG21 1 1 7 4672 1 1 18 THR HG22 H 1.741 1.566 -7.634 1.00 . A W . 18 THR HG22 1 1 7 4673 1 1 18 THR HG23 H 1.802 2.038 -9.336 1.00 . A W . 18 THR HG23 1 1 7 4674 1 1 18 THR N N 4.608 4.309 -6.494 1.00 . A W . 18 THR N 1 1 7 4675 1 1 18 THR O O 3.470 1.623 -5.626 1.00 . A W . 18 THR O 1 1 7 4676 1 1 18 THR OG1 O 3.492 4.012 -9.128 1.00 . A W . 18 THR OG1 1 1 7 4677 1 1 19 TYR C C 0.264 1.984 -3.635 1.00 . A W . 19 TYR C 1 1 7 4678 1 1 19 TYR CA C 1.756 2.244 -3.585 1.00 . A W . 19 TYR CA 1 1 7 4679 1 1 19 TYR CB C 2.208 2.769 -2.213 1.00 . A W . 19 TYR CB 1 1 7 4680 1 1 19 TYR CD1 C 1.041 4.881 -1.436 1.00 . A W . 19 TYR CD1 1 1 7 4681 1 1 19 TYR CD2 C 0.431 2.824 -0.400 1.00 . A W . 19 TYR CD2 1 1 7 4682 1 1 19 TYR CE1 C 0.181 5.555 -0.589 1.00 . A W . 19 TYR CE1 1 1 7 4683 1 1 19 TYR CE2 C -0.440 3.483 0.435 1.00 . A W . 19 TYR CE2 1 1 7 4684 1 1 19 TYR CG C 1.182 3.504 -1.360 1.00 . A W . 19 TYR CG 1 1 7 4685 1 1 19 TYR CZ C -0.561 4.854 0.344 1.00 . A W . 19 TYR CZ 1 1 7 4686 1 1 19 TYR H H 1.801 4.072 -4.652 1.00 . A W . 19 TYR H 1 1 7 4687 1 1 19 TYR HA H 2.264 1.307 -3.766 1.00 . A W . 19 TYR HA 1 1 7 4688 1 1 19 TYR HB2 H 2.555 1.931 -1.629 1.00 . A W . 19 TYR HB2 1 1 7 4689 1 1 19 TYR HB3 H 3.039 3.442 -2.369 1.00 . A W . 19 TYR HB3 1 1 7 4690 1 1 19 TYR HD1 H 1.603 5.427 -2.179 1.00 . A W . 19 TYR HD1 1 1 7 4691 1 1 19 TYR HD2 H 0.515 1.754 -0.330 1.00 . A W . 19 TYR HD2 1 1 7 4692 1 1 19 TYR HE1 H 0.099 6.627 -0.656 1.00 . A W . 19 TYR HE1 1 1 7 4693 1 1 19 TYR HE2 H -1.008 2.922 1.168 1.00 . A W . 19 TYR HE2 1 1 7 4694 1 1 19 TYR HH H -1.257 5.245 2.099 1.00 . A W . 19 TYR HH 1 1 7 4695 1 1 19 TYR N N 2.147 3.151 -4.649 1.00 . A W . 19 TYR N 1 1 7 4696 1 1 19 TYR O O -0.488 2.713 -4.286 1.00 . A W . 19 TYR O 1 1 7 4697 1 1 19 TYR OH O -1.416 5.526 1.192 1.00 . A W . 19 TYR OH 1 1 7 4698 1 1 20 TYR C C -2.173 0.868 -1.629 1.00 . A W . 20 TYR C 1 1 7 4699 1 1 20 TYR CA C -1.547 0.549 -2.963 1.00 . A W . 20 TYR CA 1 1 7 4700 1 1 20 TYR CB C -1.698 -0.946 -3.248 1.00 . A W . 20 TYR CB 1 1 7 4701 1 1 20 TYR CD1 C 0.284 -1.498 -4.735 1.00 . A W . 20 TYR CD1 1 1 7 4702 1 1 20 TYR CD2 C -1.918 -1.715 -5.622 1.00 . A W . 20 TYR CD2 1 1 7 4703 1 1 20 TYR CE1 C 0.815 -1.903 -5.936 1.00 . A W . 20 TYR CE1 1 1 7 4704 1 1 20 TYR CE2 C -1.390 -2.125 -6.833 1.00 . A W . 20 TYR CE2 1 1 7 4705 1 1 20 TYR CG C -1.097 -1.395 -4.557 1.00 . A W . 20 TYR CG 1 1 7 4706 1 1 20 TYR CZ C -0.021 -2.218 -6.986 1.00 . A W . 20 TYR CZ 1 1 7 4707 1 1 20 TYR H H 0.480 0.426 -2.413 1.00 . A W . 20 TYR H 1 1 7 4708 1 1 20 TYR HA H -2.050 1.111 -3.736 1.00 . A W . 20 TYR HA 1 1 7 4709 1 1 20 TYR HB2 H -1.229 -1.505 -2.456 1.00 . A W . 20 TYR HB2 1 1 7 4710 1 1 20 TYR HB3 H -2.750 -1.191 -3.269 1.00 . A W . 20 TYR HB3 1 1 7 4711 1 1 20 TYR HD1 H 0.947 -1.262 -3.914 1.00 . A W . 20 TYR HD1 1 1 7 4712 1 1 20 TYR HD2 H -2.994 -1.646 -5.492 1.00 . A W . 20 TYR HD2 1 1 7 4713 1 1 20 TYR HE1 H 1.881 -1.971 -6.052 1.00 . A W . 20 TYR HE1 1 1 7 4714 1 1 20 TYR HE2 H -2.049 -2.372 -7.651 1.00 . A W . 20 TYR HE2 1 1 7 4715 1 1 20 TYR HH H 0.254 -2.011 -8.889 1.00 . A W . 20 TYR HH 1 1 7 4716 1 1 20 TYR N N -0.160 0.939 -2.956 1.00 . A W . 20 TYR N 1 1 7 4717 1 1 20 TYR O O -1.557 0.697 -0.569 1.00 . A W . 20 TYR O 1 1 7 4718 1 1 20 TYR OH O 0.514 -2.629 -8.190 1.00 . A W . 20 TYR OH 1 1 7 4719 1 1 21 TYR C C -5.297 0.692 -0.329 1.00 . A W . 21 TYR C 1 1 7 4720 1 1 21 TYR CA C -4.124 1.626 -0.470 1.00 . A W . 21 TYR CA 1 1 7 4721 1 1 21 TYR CB C -4.577 3.087 -0.496 1.00 . A W . 21 TYR CB 1 1 7 4722 1 1 21 TYR CD1 C -4.352 4.078 1.819 1.00 . A W . 21 TYR CD1 1 1 7 4723 1 1 21 TYR CD2 C -6.539 3.536 1.035 1.00 . A W . 21 TYR CD2 1 1 7 4724 1 1 21 TYR CE1 C -4.886 4.529 3.008 1.00 . A W . 21 TYR CE1 1 1 7 4725 1 1 21 TYR CE2 C -7.080 3.988 2.222 1.00 . A W . 21 TYR CE2 1 1 7 4726 1 1 21 TYR CG C -5.167 3.571 0.810 1.00 . A W . 21 TYR CG 1 1 7 4727 1 1 21 TYR CZ C -6.248 4.484 3.207 1.00 . A W . 21 TYR CZ 1 1 7 4728 1 1 21 TYR H H -3.860 1.377 -2.544 1.00 . A W . 21 TYR H 1 1 7 4729 1 1 21 TYR HA H -3.452 1.473 0.366 1.00 . A W . 21 TYR HA 1 1 7 4730 1 1 21 TYR HB2 H -3.730 3.714 -0.725 1.00 . A W . 21 TYR HB2 1 1 7 4731 1 1 21 TYR HB3 H -5.326 3.210 -1.266 1.00 . A W . 21 TYR HB3 1 1 7 4732 1 1 21 TYR HD1 H -3.280 4.115 1.665 1.00 . A W . 21 TYR HD1 1 1 7 4733 1 1 21 TYR HD2 H -7.188 3.143 0.265 1.00 . A W . 21 TYR HD2 1 1 7 4734 1 1 21 TYR HE1 H -4.233 4.912 3.781 1.00 . A W . 21 TYR HE1 1 1 7 4735 1 1 21 TYR HE2 H -8.148 3.954 2.377 1.00 . A W . 21 TYR HE2 1 1 7 4736 1 1 21 TYR HH H -6.395 5.790 4.609 1.00 . A W . 21 TYR HH 1 1 7 4737 1 1 21 TYR N N -3.412 1.287 -1.674 1.00 . A W . 21 TYR N 1 1 7 4738 1 1 21 TYR O O -6.314 0.818 -1.009 1.00 . A W . 21 TYR O 1 1 7 4739 1 1 21 TYR OH O -6.782 4.937 4.390 1.00 . A W . 21 TYR OH 1 1 7 4740 1 1 22 ASN C C -7.383 -0.715 1.201 1.00 . A W . 22 ASN C 1 1 7 4741 1 1 22 ASN CA C -6.061 -1.318 0.786 1.00 . A W . 22 ASN CA 1 1 7 4742 1 1 22 ASN CB C -5.489 -2.251 1.870 1.00 . A W . 22 ASN CB 1 1 7 4743 1 1 22 ASN CG C -6.474 -3.229 2.498 1.00 . A W . 22 ASN CG 1 1 7 4744 1 1 22 ASN H H -4.252 -0.297 1.024 1.00 . A W . 22 ASN H 1 1 7 4745 1 1 22 ASN HA H -6.201 -1.879 -0.128 1.00 . A W . 22 ASN HA 1 1 7 4746 1 1 22 ASN HB2 H -4.688 -2.831 1.435 1.00 . A W . 22 ASN HB2 1 1 7 4747 1 1 22 ASN HB3 H -5.076 -1.639 2.662 1.00 . A W . 22 ASN HB3 1 1 7 4748 1 1 22 ASN HD21 H -5.066 -4.638 2.545 1.00 . A W . 22 ASN HD21 1 1 7 4749 1 1 22 ASN HD22 H -6.623 -5.086 3.165 1.00 . A W . 22 ASN HD22 1 1 7 4750 1 1 22 ASN N N -5.095 -0.284 0.524 1.00 . A W . 22 ASN N 1 1 7 4751 1 1 22 ASN ND2 N -6.015 -4.438 2.763 1.00 . A W . 22 ASN ND2 1 1 7 4752 1 1 22 ASN O O -7.500 -0.102 2.262 1.00 . A W . 22 ASN O 1 1 7 4753 1 1 22 ASN OD1 O -7.616 -2.908 2.768 1.00 . A W . 22 ASN OD1 1 1 7 4754 1 1 23 ASN C C -10.473 -1.718 1.107 1.00 . A W . 23 ASN C 1 1 7 4755 1 1 23 ASN CA C -9.715 -0.473 0.672 1.00 . A W . 23 ASN CA 1 1 7 4756 1 1 23 ASN CB C -10.386 0.189 -0.543 1.00 . A W . 23 ASN CB 1 1 7 4757 1 1 23 ASN CG C -11.621 1.007 -0.197 1.00 . A W . 23 ASN CG 1 1 7 4758 1 1 23 ASN H H -8.179 -1.248 -0.544 1.00 . A W . 23 ASN H 1 1 7 4759 1 1 23 ASN HA H -9.664 0.224 1.491 1.00 . A W . 23 ASN HA 1 1 7 4760 1 1 23 ASN HB2 H -9.671 0.846 -1.020 1.00 . A W . 23 ASN HB2 1 1 7 4761 1 1 23 ASN HB3 H -10.674 -0.580 -1.244 1.00 . A W . 23 ASN HB3 1 1 7 4762 1 1 23 ASN HD21 H -10.678 1.920 1.295 1.00 . A W . 23 ASN HD21 1 1 7 4763 1 1 23 ASN HD22 H -12.319 2.393 1.048 1.00 . A W . 23 ASN HD22 1 1 7 4764 1 1 23 ASN N N -8.366 -0.866 0.344 1.00 . A W . 23 ASN N 1 1 7 4765 1 1 23 ASN ND2 N -11.528 1.854 0.820 1.00 . A W . 23 ASN ND2 1 1 7 4766 1 1 23 ASN O O -11.676 -1.681 1.360 1.00 . A W . 23 ASN O 1 1 7 4767 1 1 23 ASN OD1 O -12.636 0.932 -0.890 1.00 . A W . 23 ASN OD1 1 1 7 4768 1 1 24 ARG C C -10.758 -3.951 3.082 1.00 . A W . 24 ARG C 1 1 7 4769 1 1 24 ARG CA C -10.258 -4.099 1.643 1.00 . A W . 24 ARG CA 1 1 7 4770 1 1 24 ARG CB C -9.185 -5.201 1.562 1.00 . A W . 24 ARG CB 1 1 7 4771 1 1 24 ARG CD C -10.412 -7.053 2.802 1.00 . A W . 24 ARG CD 1 1 7 4772 1 1 24 ARG CG C -9.736 -6.627 1.503 1.00 . A W . 24 ARG CG 1 1 7 4773 1 1 24 ARG CZ C -11.512 -9.064 3.734 1.00 . A W . 24 ARG CZ 1 1 7 4774 1 1 24 ARG H H -8.781 -2.774 0.937 1.00 . A W . 24 ARG H 1 1 7 4775 1 1 24 ARG HA H -11.062 -4.357 0.997 1.00 . A W . 24 ARG HA 1 1 7 4776 1 1 24 ARG HB2 H -8.587 -5.037 0.679 1.00 . A W . 24 ARG HB2 1 1 7 4777 1 1 24 ARG HB3 H -8.545 -5.127 2.430 1.00 . A W . 24 ARG HB3 1 1 7 4778 1 1 24 ARG HD2 H -9.713 -6.926 3.616 1.00 . A W . 24 ARG HD2 1 1 7 4779 1 1 24 ARG HD3 H -11.277 -6.426 2.968 1.00 . A W . 24 ARG HD3 1 1 7 4780 1 1 24 ARG HE H -10.588 -8.971 1.959 1.00 . A W . 24 ARG HE 1 1 7 4781 1 1 24 ARG HG2 H -10.459 -6.687 0.702 1.00 . A W . 24 ARG HG2 1 1 7 4782 1 1 24 ARG HG3 H -8.919 -7.303 1.297 1.00 . A W . 24 ARG HG3 1 1 7 4783 1 1 24 ARG HH11 H -11.733 -7.415 4.908 1.00 . A W . 24 ARG HH11 1 1 7 4784 1 1 24 ARG HH12 H -12.420 -8.882 5.534 1.00 . A W . 24 ARG HH12 1 1 7 4785 1 1 24 ARG HH21 H -11.513 -10.855 2.796 1.00 . A W . 24 ARG HH21 1 1 7 4786 1 1 24 ARG HH22 H -12.307 -10.828 4.342 1.00 . A W . 24 ARG HH22 1 1 7 4787 1 1 24 ARG N N -9.726 -2.826 1.190 1.00 . A W . 24 ARG N 1 1 7 4788 1 1 24 ARG NE N -10.836 -8.448 2.760 1.00 . A W . 24 ARG NE 1 1 7 4789 1 1 24 ARG NH1 N -11.922 -8.399 4.809 1.00 . A W . 24 ARG NH1 1 1 7 4790 1 1 24 ARG NH2 N -11.801 -10.352 3.612 1.00 . A W . 24 ARG NH2 1 1 7 4791 1 1 24 ARG O O -11.949 -4.061 3.362 1.00 . A W . 24 ARG O 1 1 7 4792 1 1 25 THR C C -9.388 -2.232 5.897 1.00 . A W . 25 THR C 1 1 7 4793 1 1 25 THR CA C -10.115 -3.482 5.391 1.00 . A W . 25 THR CA 1 1 7 4794 1 1 25 THR CB C -9.732 -4.704 6.245 1.00 . A W . 25 THR CB 1 1 7 4795 1 1 25 THR CG2 C -8.256 -4.962 6.127 1.00 . A W . 25 THR CG2 1 1 7 4796 1 1 25 THR H H -8.880 -3.631 3.685 1.00 . A W . 25 THR H 1 1 7 4797 1 1 25 THR HA H -11.164 -3.331 5.485 1.00 . A W . 25 THR HA 1 1 7 4798 1 1 25 THR HB H -10.262 -5.565 5.871 1.00 . A W . 25 THR HB 1 1 7 4799 1 1 25 THR HG1 H -9.707 -3.666 7.926 1.00 . A W . 25 THR HG1 1 1 7 4800 1 1 25 THR HG21 H -8.022 -5.206 5.105 1.00 . A W . 25 THR HG21 1 1 7 4801 1 1 25 THR HG22 H -7.978 -5.782 6.768 1.00 . A W . 25 THR HG22 1 1 7 4802 1 1 25 THR HG23 H -7.726 -4.072 6.417 1.00 . A W . 25 THR HG23 1 1 7 4803 1 1 25 THR N N -9.817 -3.698 3.985 1.00 . A W . 25 THR N 1 1 7 4804 1 1 25 THR O O -9.234 -2.031 7.103 1.00 . A W . 25 THR O 1 1 7 4805 1 1 25 THR OG1 O -10.091 -4.497 7.617 1.00 . A W . 25 THR OG1 1 1 7 4806 1 1 26 LEU C C -6.791 -0.491 5.701 1.00 . A W . 26 LEU C 1 1 7 4807 1 1 26 LEU CA C -8.208 -0.169 5.236 1.00 . A W . 26 LEU CA 1 1 7 4808 1 1 26 LEU CB C -8.924 0.737 6.248 1.00 . A W . 26 LEU CB 1 1 7 4809 1 1 26 LEU CD1 C -9.465 2.645 4.706 1.00 . A W . 26 LEU CD1 1 1 7 4810 1 1 26 LEU CD2 C -11.091 0.779 4.968 1.00 . A W . 26 LEU CD2 1 1 7 4811 1 1 26 LEU CG C -10.039 1.623 5.672 1.00 . A W . 26 LEU CG 1 1 7 4812 1 1 26 LEU H H -9.168 -1.608 4.016 1.00 . A W . 26 LEU H 1 1 7 4813 1 1 26 LEU HA H -8.130 0.369 4.301 1.00 . A W . 26 LEU HA 1 1 7 4814 1 1 26 LEU HB2 H -9.354 0.109 7.015 1.00 . A W . 26 LEU HB2 1 1 7 4815 1 1 26 LEU HB3 H -8.184 1.379 6.706 1.00 . A W . 26 LEU HB3 1 1 7 4816 1 1 26 LEU HD11 H -8.728 3.248 5.216 1.00 . A W . 26 LEU HD11 1 1 7 4817 1 1 26 LEU HD12 H -10.257 3.282 4.336 1.00 . A W . 26 LEU HD12 1 1 7 4818 1 1 26 LEU HD13 H -8.997 2.133 3.879 1.00 . A W . 26 LEU HD13 1 1 7 4819 1 1 26 LEU HD21 H -11.579 0.136 5.682 1.00 . A W . 26 LEU HD21 1 1 7 4820 1 1 26 LEU HD22 H -10.607 0.173 4.208 1.00 . A W . 26 LEU HD22 1 1 7 4821 1 1 26 LEU HD23 H -11.823 1.427 4.507 1.00 . A W . 26 LEU HD23 1 1 7 4822 1 1 26 LEU HG H -10.520 2.158 6.479 1.00 . A W . 26 LEU HG 1 1 7 4823 1 1 26 LEU N N -8.965 -1.395 4.949 1.00 . A W . 26 LEU N 1 1 7 4824 1 1 26 LEU O O -6.508 -0.586 6.895 1.00 . A W . 26 LEU O 1 1 7 4825 1 1 27 GLU C C -3.660 -0.269 3.922 1.00 . A W . 27 GLU C 1 1 7 4826 1 1 27 GLU CA C -4.518 -1.005 4.950 1.00 . A W . 27 GLU CA 1 1 7 4827 1 1 27 GLU CB C -4.322 -2.535 4.862 1.00 . A W . 27 GLU CB 1 1 7 4828 1 1 27 GLU CD C -2.968 -4.466 3.923 1.00 . A W . 27 GLU CD 1 1 7 4829 1 1 27 GLU CG C -3.018 -2.976 4.203 1.00 . A W . 27 GLU CG 1 1 7 4830 1 1 27 GLU H H -6.238 -0.575 3.803 1.00 . A W . 27 GLU H 1 1 7 4831 1 1 27 GLU HA H -4.249 -0.665 5.939 1.00 . A W . 27 GLU HA 1 1 7 4832 1 1 27 GLU HB2 H -4.345 -2.944 5.861 1.00 . A W . 27 GLU HB2 1 1 7 4833 1 1 27 GLU HB3 H -5.142 -2.955 4.297 1.00 . A W . 27 GLU HB3 1 1 7 4834 1 1 27 GLU HG2 H -2.898 -2.434 3.268 1.00 . A W . 27 GLU HG2 1 1 7 4835 1 1 27 GLU HG3 H -2.205 -2.733 4.854 1.00 . A W . 27 GLU HG3 1 1 7 4836 1 1 27 GLU N N -5.922 -0.677 4.727 1.00 . A W . 27 GLU N 1 1 7 4837 1 1 27 GLU O O -4.173 0.229 2.927 1.00 . A W . 27 GLU O 1 1 7 4838 1 1 27 GLU OE1 O -3.437 -4.888 2.848 1.00 . A W . 27 GLU OE1 1 1 7 4839 1 1 27 GLU OE2 O -2.461 -5.217 4.783 1.00 . A W . 27 GLU OE2 1 1 7 4840 1 1 28 SER C C -0.453 -0.600 2.732 1.00 . A W . 28 SER C 1 1 7 4841 1 1 28 SER CA C -1.473 0.440 3.211 1.00 . A W . 28 SER CA 1 1 7 4842 1 1 28 SER CB C -0.789 1.643 3.841 1.00 . A W . 28 SER CB 1 1 7 4843 1 1 28 SER H H -2.029 -0.442 5.044 1.00 . A W . 28 SER H 1 1 7 4844 1 1 28 SER HA H -2.062 0.770 2.363 1.00 . A W . 28 SER HA 1 1 7 4845 1 1 28 SER HB2 H -0.466 1.374 4.832 1.00 . A W . 28 SER HB2 1 1 7 4846 1 1 28 SER HB3 H 0.067 1.931 3.265 1.00 . A W . 28 SER HB3 1 1 7 4847 1 1 28 SER HG H -2.581 2.427 3.797 1.00 . A W . 28 SER HG 1 1 7 4848 1 1 28 SER N N -2.382 -0.133 4.183 1.00 . A W . 28 SER N 1 1 7 4849 1 1 28 SER O O -0.036 -1.462 3.506 1.00 . A W . 28 SER O 1 1 7 4850 1 1 28 SER OG O -1.682 2.737 3.947 1.00 . A W . 28 SER OG 1 1 7 4851 1 1 29 THR C C 1.861 -0.651 -0.046 1.00 . A W . 29 THR C 1 1 7 4852 1 1 29 THR CA C 0.975 -1.424 0.925 1.00 . A W . 29 THR CA 1 1 7 4853 1 1 29 THR CB C 0.369 -2.642 0.157 1.00 . A W . 29 THR CB 1 1 7 4854 1 1 29 THR CG2 C -0.870 -3.207 0.833 1.00 . A W . 29 THR CG2 1 1 7 4855 1 1 29 THR H H -0.433 0.162 0.869 1.00 . A W . 29 THR H 1 1 7 4856 1 1 29 THR HA H 1.576 -1.792 1.746 1.00 . A W . 29 THR HA 1 1 7 4857 1 1 29 THR HB H 1.116 -3.422 0.111 1.00 . A W . 29 THR HB 1 1 7 4858 1 1 29 THR HG1 H 0.647 -2.656 -1.795 1.00 . A W . 29 THR HG1 1 1 7 4859 1 1 29 THR HG21 H -1.240 -4.048 0.258 1.00 . A W . 29 THR HG21 1 1 7 4860 1 1 29 THR HG22 H -1.635 -2.446 0.882 1.00 . A W . 29 THR HG22 1 1 7 4861 1 1 29 THR HG23 H -0.619 -3.535 1.828 1.00 . A W . 29 THR HG23 1 1 7 4862 1 1 29 THR N N -0.040 -0.516 1.465 1.00 . A W . 29 THR N 1 1 7 4863 1 1 29 THR O O 1.358 0.111 -0.860 1.00 . A W . 29 THR O 1 1 7 4864 1 1 29 THR OG1 O 0.016 -2.266 -1.177 1.00 . A W . 29 THR OG1 1 1 7 4865 1 1 30 TRP C C 3.928 -0.751 -2.285 1.00 . A W . 30 TRP C 1 1 7 4866 1 1 30 TRP CA C 4.063 -0.143 -0.893 1.00 . A W . 30 TRP CA 1 1 7 4867 1 1 30 TRP CB C 5.519 -0.203 -0.414 1.00 . A W . 30 TRP CB 1 1 7 4868 1 1 30 TRP CD1 C 5.826 0.550 2.036 1.00 . A W . 30 TRP CD1 1 1 7 4869 1 1 30 TRP CD2 C 6.228 2.147 0.529 1.00 . A W . 30 TRP CD2 1 1 7 4870 1 1 30 TRP CE2 C 6.450 2.664 1.821 1.00 . A W . 30 TRP CE2 1 1 7 4871 1 1 30 TRP CE3 C 6.407 2.989 -0.572 1.00 . A W . 30 TRP CE3 1 1 7 4872 1 1 30 TRP CG C 5.845 0.777 0.687 1.00 . A W . 30 TRP CG 1 1 7 4873 1 1 30 TRP CH2 C 7.001 4.769 0.961 1.00 . A W . 30 TRP CH2 1 1 7 4874 1 1 30 TRP CZ2 C 6.835 3.970 2.045 1.00 . A W . 30 TRP CZ2 1 1 7 4875 1 1 30 TRP CZ3 C 6.791 4.295 -0.343 1.00 . A W . 30 TRP CZ3 1 1 7 4876 1 1 30 TRP H H 3.548 -1.377 0.753 1.00 . A W . 30 TRP H 1 1 7 4877 1 1 30 TRP HA H 3.757 0.894 -0.952 1.00 . A W . 30 TRP HA 1 1 7 4878 1 1 30 TRP HB2 H 5.729 -1.197 -0.051 1.00 . A W . 30 TRP HB2 1 1 7 4879 1 1 30 TRP HB3 H 6.171 0.011 -1.250 1.00 . A W . 30 TRP HB3 1 1 7 4880 1 1 30 TRP HD1 H 5.553 -0.370 2.490 1.00 . A W . 30 TRP HD1 1 1 7 4881 1 1 30 TRP HE1 H 6.284 1.750 3.691 1.00 . A W . 30 TRP HE1 1 1 7 4882 1 1 30 TRP HE3 H 6.248 2.638 -1.580 1.00 . A W . 30 TRP HE3 1 1 7 4883 1 1 30 TRP HH2 H 7.281 5.789 1.103 1.00 . A W . 30 TRP HH2 1 1 7 4884 1 1 30 TRP HZ2 H 7.010 4.352 3.040 1.00 . A W . 30 TRP HZ2 1 1 7 4885 1 1 30 TRP HZ3 H 6.931 4.969 -1.174 1.00 . A W . 30 TRP HZ3 1 1 7 4886 1 1 30 TRP N N 3.174 -0.812 0.046 1.00 . A W . 30 TRP N 1 1 7 4887 1 1 30 TRP NE1 N 6.207 1.671 2.714 1.00 . A W . 30 TRP NE1 1 1 7 4888 1 1 30 TRP O O 3.483 -0.088 -3.212 1.00 . A W . 30 TRP O 1 1 7 4889 1 1 31 GLU C C 3.008 -3.644 -3.772 1.00 . A W . 31 GLU C 1 1 7 4890 1 1 31 GLU CA C 4.193 -2.662 -3.737 1.00 . A W . 31 GLU CA 1 1 7 4891 1 1 31 GLU CB C 5.523 -3.323 -4.100 1.00 . A W . 31 GLU CB 1 1 7 4892 1 1 31 GLU CD C 7.948 -2.913 -4.725 1.00 . A W . 31 GLU CD 1 1 7 4893 1 1 31 GLU CG C 6.673 -2.329 -4.154 1.00 . A W . 31 GLU CG 1 1 7 4894 1 1 31 GLU H H 4.639 -2.514 -1.677 1.00 . A W . 31 GLU H 1 1 7 4895 1 1 31 GLU HA H 3.996 -1.883 -4.461 1.00 . A W . 31 GLU HA 1 1 7 4896 1 1 31 GLU HB2 H 5.755 -4.087 -3.373 1.00 . A W . 31 GLU HB2 1 1 7 4897 1 1 31 GLU HB3 H 5.428 -3.771 -5.070 1.00 . A W . 31 GLU HB3 1 1 7 4898 1 1 31 GLU HG2 H 6.378 -1.489 -4.763 1.00 . A W . 31 GLU HG2 1 1 7 4899 1 1 31 GLU HG3 H 6.874 -1.986 -3.151 1.00 . A W . 31 GLU HG3 1 1 7 4900 1 1 31 GLU N N 4.297 -2.012 -2.438 1.00 . A W . 31 GLU N 1 1 7 4901 1 1 31 GLU O O 2.128 -3.583 -2.905 1.00 . A W . 31 GLU O 1 1 7 4902 1 1 31 GLU OE1 O 7.978 -3.212 -5.936 1.00 . A W . 31 GLU OE1 1 1 7 4903 1 1 31 GLU OE2 O 8.930 -3.049 -3.970 1.00 . A W . 31 GLU OE2 1 1 7 4904 1 1 32 LYS C C 1.348 -6.175 -3.845 1.00 . A W . 32 LYS C 1 1 7 4905 1 1 32 LYS CA C 1.838 -5.385 -5.060 1.00 . A W . 32 LYS CA 1 1 7 4906 1 1 32 LYS CB C 2.161 -6.345 -6.207 1.00 . A W . 32 LYS CB 1 1 7 4907 1 1 32 LYS CD C 2.362 -6.695 -8.693 1.00 . A W . 32 LYS CD 1 1 7 4908 1 1 32 LYS CE C 2.118 -6.072 -10.063 1.00 . A W . 32 LYS CE 1 1 7 4909 1 1 32 LYS CG C 2.219 -5.673 -7.570 1.00 . A W . 32 LYS CG 1 1 7 4910 1 1 32 LYS H H 3.776 -4.618 -5.339 1.00 . A W . 32 LYS H 1 1 7 4911 1 1 32 LYS HA H 1.036 -4.737 -5.385 1.00 . A W . 32 LYS HA 1 1 7 4912 1 1 32 LYS HB2 H 3.120 -6.802 -6.014 1.00 . A W . 32 LYS HB2 1 1 7 4913 1 1 32 LYS HB3 H 1.403 -7.111 -6.241 1.00 . A W . 32 LYS HB3 1 1 7 4914 1 1 32 LYS HD2 H 3.361 -7.104 -8.671 1.00 . A W . 32 LYS HD2 1 1 7 4915 1 1 32 LYS HD3 H 1.643 -7.486 -8.538 1.00 . A W . 32 LYS HD3 1 1 7 4916 1 1 32 LYS HE2 H 2.013 -6.866 -10.789 1.00 . A W . 32 LYS HE2 1 1 7 4917 1 1 32 LYS HE3 H 1.203 -5.501 -10.027 1.00 . A W . 32 LYS HE3 1 1 7 4918 1 1 32 LYS HG2 H 1.308 -5.114 -7.724 1.00 . A W . 32 LYS HG2 1 1 7 4919 1 1 32 LYS HG3 H 3.066 -5.001 -7.599 1.00 . A W . 32 LYS HG3 1 1 7 4920 1 1 32 LYS HZ1 H 2.893 -4.508 -11.206 1.00 . A W . 32 LYS HZ1 1 1 7 4921 1 1 32 LYS HZ2 H 4.005 -5.751 -10.889 1.00 . A W . 32 LYS HZ2 1 1 7 4922 1 1 32 LYS HZ3 H 3.597 -4.653 -9.667 1.00 . A W . 32 LYS HZ3 1 1 7 4923 1 1 32 LYS N N 2.991 -4.531 -4.773 1.00 . A W . 32 LYS N 1 1 7 4924 1 1 32 LYS NZ N 3.228 -5.183 -10.484 1.00 . A W . 32 LYS NZ 1 1 7 4925 1 1 32 LYS O O 2.132 -6.796 -3.126 1.00 . A W . 32 LYS O 1 1 7 4926 1 1 33 PRO C C -0.594 -8.411 -2.703 1.00 . A W . 33 PRO C 1 1 7 4927 1 1 33 PRO CA C -0.665 -6.881 -2.554 1.00 . A W . 33 PRO CA 1 1 7 4928 1 1 33 PRO CB C -2.126 -6.416 -2.701 1.00 . A W . 33 PRO CB 1 1 7 4929 1 1 33 PRO CD C -0.910 -5.307 -4.392 1.00 . A W . 33 PRO CD 1 1 7 4930 1 1 33 PRO CG C -2.038 -5.125 -3.426 1.00 . A W . 33 PRO CG 1 1 7 4931 1 1 33 PRO HA H -0.295 -6.601 -1.581 1.00 . A W . 33 PRO HA 1 1 7 4932 1 1 33 PRO HB2 H -2.684 -7.146 -3.273 1.00 . A W . 33 PRO HB2 1 1 7 4933 1 1 33 PRO HB3 H -2.573 -6.294 -1.724 1.00 . A W . 33 PRO HB3 1 1 7 4934 1 1 33 PRO HD2 H -1.250 -5.818 -5.284 1.00 . A W . 33 PRO HD2 1 1 7 4935 1 1 33 PRO HD3 H -0.464 -4.357 -4.641 1.00 . A W . 33 PRO HD3 1 1 7 4936 1 1 33 PRO HG2 H -2.962 -4.932 -3.952 1.00 . A W . 33 PRO HG2 1 1 7 4937 1 1 33 PRO HG3 H -1.818 -4.324 -2.736 1.00 . A W . 33 PRO HG3 1 1 7 4938 1 1 33 PRO N N 0.024 -6.143 -3.629 1.00 . A W . 33 PRO N 1 1 7 4939 1 1 33 PRO O O 0.259 -8.950 -3.406 1.00 . A W . 33 PRO O 1 1 7 4940 1 1 34 GLN C C -2.051 -11.203 -3.242 1.00 . A W . 34 GLN C 1 1 7 4941 1 1 34 GLN CA C -1.501 -10.561 -1.968 1.00 . A W . 34 GLN CA 1 1 7 4942 1 1 34 GLN CB C -2.306 -11.034 -0.756 1.00 . A W . 34 GLN CB 1 1 7 4943 1 1 34 GLN CD C -2.585 -10.991 1.752 1.00 . A W . 34 GLN CD 1 1 7 4944 1 1 34 GLN CG C -1.709 -10.609 0.576 1.00 . A W . 34 GLN CG 1 1 7 4945 1 1 34 GLN H H -2.226 -8.612 -1.572 1.00 . A W . 34 GLN H 1 1 7 4946 1 1 34 GLN HA H -0.474 -10.875 -1.840 1.00 . A W . 34 GLN HA 1 1 7 4947 1 1 34 GLN HB2 H -3.306 -10.635 -0.819 1.00 . A W . 34 GLN HB2 1 1 7 4948 1 1 34 GLN HB3 H -2.353 -12.113 -0.776 1.00 . A W . 34 GLN HB3 1 1 7 4949 1 1 34 GLN HE21 H -3.460 -9.209 1.722 1.00 . A W . 34 GLN HE21 1 1 7 4950 1 1 34 GLN HE22 H -4.022 -10.300 2.940 1.00 . A W . 34 GLN HE22 1 1 7 4951 1 1 34 GLN HG2 H -0.750 -11.087 0.693 1.00 . A W . 34 GLN HG2 1 1 7 4952 1 1 34 GLN HG3 H -1.579 -9.536 0.575 1.00 . A W . 34 GLN HG3 1 1 7 4953 1 1 34 GLN N N -1.514 -9.100 -2.036 1.00 . A W . 34 GLN N 1 1 7 4954 1 1 34 GLN NE2 N -3.441 -10.075 2.178 1.00 . A W . 34 GLN NE2 1 1 7 4955 1 1 34 GLN O O -1.311 -11.844 -3.987 1.00 . A W . 34 GLN O 1 1 7 4956 1 1 34 GLN OE1 O -2.474 -12.091 2.285 1.00 . A W . 34 GLN OE1 1 1 7 4957 1 1 35 GLU C C -3.802 -10.716 -5.883 1.00 . A W . 35 GLU C 1 1 7 4958 1 1 35 GLU CA C -3.966 -11.632 -4.680 1.00 . A W . 35 GLU CA 1 1 7 4959 1 1 35 GLU CB C -5.449 -11.924 -4.445 1.00 . A W . 35 GLU CB 1 1 7 4960 1 1 35 GLU CD C -7.132 -13.442 -3.329 1.00 . A W . 35 GLU CD 1 1 7 4961 1 1 35 GLU CG C -5.685 -13.002 -3.402 1.00 . A W . 35 GLU CG 1 1 7 4962 1 1 35 GLU H H -3.904 -10.539 -2.863 1.00 . A W . 35 GLU H 1 1 7 4963 1 1 35 GLU HA H -3.454 -12.563 -4.885 1.00 . A W . 35 GLU HA 1 1 7 4964 1 1 35 GLU HB2 H -5.936 -11.019 -4.112 1.00 . A W . 35 GLU HB2 1 1 7 4965 1 1 35 GLU HB3 H -5.893 -12.244 -5.379 1.00 . A W . 35 GLU HB3 1 1 7 4966 1 1 35 GLU HG2 H -5.078 -13.860 -3.649 1.00 . A W . 35 GLU HG2 1 1 7 4967 1 1 35 GLU HG3 H -5.389 -12.615 -2.436 1.00 . A W . 35 GLU HG3 1 1 7 4968 1 1 35 GLU N N -3.349 -11.045 -3.490 1.00 . A W . 35 GLU N 1 1 7 4969 1 1 35 GLU O O -4.106 -11.091 -7.016 1.00 . A W . 35 GLU O 1 1 7 4970 1 1 35 GLU OE1 O -7.553 -14.233 -4.199 1.00 . A W . 35 GLU OE1 1 1 7 4971 1 1 35 GLU OE2 O -7.849 -13.008 -2.403 1.00 . A W . 35 GLU OE2 1 1 7 4972 1 1 36 LEU C C -1.574 -8.575 -7.041 1.00 . A W . 36 LEU C 1 1 7 4973 1 1 36 LEU CA C -3.053 -8.556 -6.677 1.00 . A W . 36 LEU CA 1 1 7 4974 1 1 36 LEU CB C -3.499 -7.153 -6.251 1.00 . A W . 36 LEU CB 1 1 7 4975 1 1 36 LEU CD1 C -3.652 -6.299 -8.612 1.00 . A W . 36 LEU CD1 1 1 7 4976 1 1 36 LEU CD2 C -3.627 -4.693 -6.695 1.00 . A W . 36 LEU CD2 1 1 7 4977 1 1 36 LEU CG C -3.114 -6.027 -7.211 1.00 . A W . 36 LEU CG 1 1 7 4978 1 1 36 LEU H H -3.107 -9.277 -4.700 1.00 . A W . 36 LEU H 1 1 7 4979 1 1 36 LEU HA H -3.626 -8.858 -7.542 1.00 . A W . 36 LEU HA 1 1 7 4980 1 1 36 LEU HB2 H -4.575 -7.155 -6.147 1.00 . A W . 36 LEU HB2 1 1 7 4981 1 1 36 LEU HB3 H -3.062 -6.938 -5.286 1.00 . A W . 36 LEU HB3 1 1 7 4982 1 1 36 LEU HD11 H -3.343 -5.505 -9.279 1.00 . A W . 36 LEU HD11 1 1 7 4983 1 1 36 LEU HD12 H -4.732 -6.344 -8.583 1.00 . A W . 36 LEU HD12 1 1 7 4984 1 1 36 LEU HD13 H -3.263 -7.242 -8.968 1.00 . A W . 36 LEU HD13 1 1 7 4985 1 1 36 LEU HD21 H -4.708 -4.699 -6.682 1.00 . A W . 36 LEU HD21 1 1 7 4986 1 1 36 LEU HD22 H -3.281 -3.897 -7.338 1.00 . A W . 36 LEU HD22 1 1 7 4987 1 1 36 LEU HD23 H -3.260 -4.532 -5.691 1.00 . A W . 36 LEU HD23 1 1 7 4988 1 1 36 LEU HG H -2.039 -5.976 -7.265 1.00 . A W . 36 LEU HG 1 1 7 4989 1 1 36 LEU N N -3.313 -9.515 -5.624 1.00 . A W . 36 LEU N 1 1 7 4990 1 1 36 LEU O O -0.743 -7.980 -6.355 1.00 . A W . 36 LEU O 1 1 7 4991 1 1 37 LYS C C 0.102 -9.627 -10.085 1.00 . A W . 37 LYS C 1 1 7 4992 1 1 37 LYS CA C 0.110 -9.409 -8.582 1.00 . A W . 37 LYS CA 1 1 7 4993 1 1 37 LYS CB C 0.834 -10.566 -7.880 1.00 . A W . 37 LYS CB 1 1 7 4994 1 1 37 LYS CD C 0.980 -13.037 -7.444 1.00 . A W . 37 LYS CD 1 1 7 4995 1 1 37 LYS CE C 0.352 -14.396 -7.705 1.00 . A W . 37 LYS CE 1 1 7 4996 1 1 37 LYS CG C 0.181 -11.921 -8.096 1.00 . A W . 37 LYS CG 1 1 7 4997 1 1 37 LYS H H -1.970 -9.740 -8.609 1.00 . A W . 37 LYS H 1 1 7 4998 1 1 37 LYS HA H 0.621 -8.483 -8.364 1.00 . A W . 37 LYS HA 1 1 7 4999 1 1 37 LYS HB2 H 1.848 -10.617 -8.248 1.00 . A W . 37 LYS HB2 1 1 7 5000 1 1 37 LYS HB3 H 0.857 -10.369 -6.819 1.00 . A W . 37 LYS HB3 1 1 7 5001 1 1 37 LYS HD2 H 1.984 -13.032 -7.841 1.00 . A W . 37 LYS HD2 1 1 7 5002 1 1 37 LYS HD3 H 1.010 -12.867 -6.379 1.00 . A W . 37 LYS HD3 1 1 7 5003 1 1 37 LYS HE2 H -0.620 -14.421 -7.240 1.00 . A W . 37 LYS HE2 1 1 7 5004 1 1 37 LYS HE3 H 0.244 -14.532 -8.770 1.00 . A W . 37 LYS HE3 1 1 7 5005 1 1 37 LYS HG2 H -0.807 -11.904 -7.668 1.00 . A W . 37 LYS HG2 1 1 7 5006 1 1 37 LYS HG3 H 0.114 -12.110 -9.158 1.00 . A W . 37 LYS HG3 1 1 7 5007 1 1 37 LYS HZ1 H 1.219 -15.442 -6.118 1.00 . A W . 37 LYS HZ1 1 1 7 5008 1 1 37 LYS HZ2 H 2.150 -15.452 -7.536 1.00 . A W . 37 LYS HZ2 1 1 7 5009 1 1 37 LYS HZ3 H 0.768 -16.425 -7.425 1.00 . A W . 37 LYS HZ3 1 1 7 5010 1 1 37 LYS N N -1.258 -9.285 -8.110 1.00 . A W . 37 LYS N 1 1 7 5011 1 1 37 LYS NZ N 1.177 -15.505 -7.158 1.00 . A W . 37 LYS NZ 1 1 7 5012 1 1 37 LYS O O 1.104 -9.294 -10.746 1.00 . A W . 37 LYS O 1 1 7 5013 1 1 37 LYS OXT O -0.926 -10.110 -10.599 1.00 . A W . 37 LYS OXT 1 1 7 5014 2 2 1 PRO C C -2.354 13.563 -0.423 1.00 . B P . 101 PRO C 1 1 7 5015 2 2 1 PRO CA C -2.274 15.031 -0.829 1.00 . B P . 101 PRO CA 1 1 7 5016 2 2 1 PRO CB C -1.433 15.824 0.161 1.00 . B P . 101 PRO CB 1 1 7 5017 2 2 1 PRO CD C -3.483 16.982 -0.333 1.00 . B P . 101 PRO CD 1 1 7 5018 2 2 1 PRO CG C -2.367 16.868 0.680 1.00 . B P . 101 PRO CG 1 1 7 5019 2 2 1 PRO H2 H -4.229 14.961 -0.339 1.00 . B P . 101 PRO H2 1 1 7 5020 2 2 1 PRO H3 H -3.946 15.488 -1.863 1.00 . B P . 101 PRO H3 1 1 7 5021 2 2 1 PRO HA H -1.835 15.104 -1.812 1.00 . B P . 101 PRO HA 1 1 7 5022 2 2 1 PRO HB2 H -1.081 15.172 0.952 1.00 . B P . 101 PRO HB2 1 1 7 5023 2 2 1 PRO HB3 H -0.595 16.264 -0.351 1.00 . B P . 101 PRO HB3 1 1 7 5024 2 2 1 PRO HD2 H -4.397 17.300 0.150 1.00 . B P . 101 PRO HD2 1 1 7 5025 2 2 1 PRO HD3 H -3.210 17.675 -1.115 1.00 . B P . 101 PRO HD3 1 1 7 5026 2 2 1 PRO HG2 H -2.761 16.564 1.638 1.00 . B P . 101 PRO HG2 1 1 7 5027 2 2 1 PRO HG3 H -1.852 17.814 0.772 1.00 . B P . 101 PRO HG3 1 1 7 5028 2 2 1 PRO N N -3.627 15.620 -0.871 1.00 . B P . 101 PRO N 1 1 7 5029 2 2 1 PRO O O -3.311 13.152 0.240 1.00 . B P . 101 PRO O 1 1 7 5030 2 2 2 PRO C C -0.923 11.021 0.905 1.00 . B P . 102 PRO C 1 1 7 5031 2 2 2 PRO CA C -1.349 11.320 -0.530 1.00 . B P . 102 PRO CA 1 1 7 5032 2 2 2 PRO CB C -0.308 10.751 -1.514 1.00 . B P . 102 PRO CB 1 1 7 5033 2 2 2 PRO CD C -0.183 13.149 -1.592 1.00 . B P . 102 PRO CD 1 1 7 5034 2 2 2 PRO CG C 0.146 11.901 -2.357 1.00 . B P . 102 PRO CG 1 1 7 5035 2 2 2 PRO HA H -2.311 10.871 -0.718 1.00 . B P . 102 PRO HA 1 1 7 5036 2 2 2 PRO HB2 H 0.516 10.328 -0.957 1.00 . B P . 102 PRO HB2 1 1 7 5037 2 2 2 PRO HB3 H -0.767 9.982 -2.117 1.00 . B P . 102 PRO HB3 1 1 7 5038 2 2 2 PRO HD2 H 0.635 13.421 -0.940 1.00 . B P . 102 PRO HD2 1 1 7 5039 2 2 2 PRO HD3 H -0.418 13.958 -2.265 1.00 . B P . 102 PRO HD3 1 1 7 5040 2 2 2 PRO HG2 H 1.211 11.835 -2.523 1.00 . B P . 102 PRO HG2 1 1 7 5041 2 2 2 PRO HG3 H -0.379 11.891 -3.300 1.00 . B P . 102 PRO HG3 1 1 7 5042 2 2 2 PRO N N -1.360 12.751 -0.820 1.00 . B P . 102 PRO N 1 1 7 5043 2 2 2 PRO O O -0.148 11.766 1.509 1.00 . B P . 102 PRO O 1 1 7 5044 2 2 3 PRO C C 0.270 8.690 2.716 1.00 . B P . 103 PRO C 1 1 7 5045 2 2 3 PRO CA C -1.053 9.436 2.785 1.00 . B P . 103 PRO CA 1 1 7 5046 2 2 3 PRO CB C -2.185 8.471 3.180 1.00 . B P . 103 PRO CB 1 1 7 5047 2 2 3 PRO CD C -2.496 9.094 0.881 1.00 . B P . 103 PRO CD 1 1 7 5048 2 2 3 PRO CG C -3.203 8.549 2.086 1.00 . B P . 103 PRO CG 1 1 7 5049 2 2 3 PRO HA H -0.983 10.237 3.510 1.00 . B P . 103 PRO HA 1 1 7 5050 2 2 3 PRO HB2 H -1.788 7.472 3.270 1.00 . B P . 103 PRO HB2 1 1 7 5051 2 2 3 PRO HB3 H -2.608 8.779 4.127 1.00 . B P . 103 PRO HB3 1 1 7 5052 2 2 3 PRO HD2 H -2.066 8.294 0.295 1.00 . B P . 103 PRO HD2 1 1 7 5053 2 2 3 PRO HD3 H -3.171 9.685 0.282 1.00 . B P . 103 PRO HD3 1 1 7 5054 2 2 3 PRO HG2 H -3.588 7.563 1.876 1.00 . B P . 103 PRO HG2 1 1 7 5055 2 2 3 PRO HG3 H -4.004 9.211 2.381 1.00 . B P . 103 PRO HG3 1 1 7 5056 2 2 3 PRO N N -1.452 9.930 1.470 1.00 . B P . 103 PRO N 1 1 7 5057 2 2 3 PRO O O 0.594 8.086 1.694 1.00 . B P . 103 PRO O 1 1 7 5058 2 2 4 LEU C C 2.014 6.532 4.114 1.00 . B P . 104 LEU C 1 1 7 5059 2 2 4 LEU CA C 2.292 8.000 3.829 1.00 . B P . 104 LEU CA 1 1 7 5060 2 2 4 LEU CB C 3.210 8.572 4.911 1.00 . B P . 104 LEU CB 1 1 7 5061 2 2 4 LEU CD1 C 4.441 10.523 5.908 1.00 . B P . 104 LEU CD1 1 1 7 5062 2 2 4 LEU CD2 C 4.261 10.307 3.427 1.00 . B P . 104 LEU CD2 1 1 7 5063 2 2 4 LEU CG C 3.564 10.056 4.756 1.00 . B P . 104 LEU CG 1 1 7 5064 2 2 4 LEU H H 0.772 9.279 4.560 1.00 . B P . 104 LEU H 1 1 7 5065 2 2 4 LEU HA H 2.776 8.092 2.867 1.00 . B P . 104 LEU HA 1 1 7 5066 2 2 4 LEU HB2 H 2.726 8.438 5.868 1.00 . B P . 104 LEU HB2 1 1 7 5067 2 2 4 LEU HB3 H 4.126 8.002 4.905 1.00 . B P . 104 LEU HB3 1 1 7 5068 2 2 4 LEU HD11 H 4.665 11.573 5.785 1.00 . B P . 104 LEU HD11 1 1 7 5069 2 2 4 LEU HD12 H 5.361 9.956 5.917 1.00 . B P . 104 LEU HD12 1 1 7 5070 2 2 4 LEU HD13 H 3.918 10.376 6.840 1.00 . B P . 104 LEU HD13 1 1 7 5071 2 2 4 LEU HD21 H 5.173 9.727 3.383 1.00 . B P . 104 LEU HD21 1 1 7 5072 2 2 4 LEU HD22 H 4.498 11.359 3.340 1.00 . B P . 104 LEU HD22 1 1 7 5073 2 2 4 LEU HD23 H 3.608 10.017 2.620 1.00 . B P . 104 LEU HD23 1 1 7 5074 2 2 4 LEU HG H 2.654 10.637 4.770 1.00 . B P . 104 LEU HG 1 1 7 5075 2 2 4 LEU N N 1.045 8.743 3.787 1.00 . B P . 104 LEU N 1 1 7 5076 2 2 4 LEU O O 1.047 6.203 4.799 1.00 . B P . 104 LEU O 1 1 7 5077 2 2 5 ILE C C 3.346 3.975 5.286 1.00 . B P . 105 ILE C 1 1 7 5078 2 2 5 ILE CA C 2.742 4.232 3.909 1.00 . B P . 105 ILE CA 1 1 7 5079 2 2 5 ILE CB C 3.472 3.300 2.893 1.00 . B P . 105 ILE CB 1 1 7 5080 2 2 5 ILE CD1 C 3.415 4.853 0.860 1.00 . B P . 105 ILE CD1 1 1 7 5081 2 2 5 ILE CG1 C 3.038 3.507 1.455 1.00 . B P . 105 ILE CG1 1 1 7 5082 2 2 5 ILE CG2 C 3.201 1.841 3.229 1.00 . B P . 105 ILE CG2 1 1 7 5083 2 2 5 ILE H H 3.559 5.955 2.987 1.00 . B P . 105 ILE H 1 1 7 5084 2 2 5 ILE HA H 1.694 3.972 3.927 1.00 . B P . 105 ILE HA 1 1 7 5085 2 2 5 ILE HB H 4.548 3.483 2.965 1.00 . B P . 105 ILE HB 1 1 7 5086 2 2 5 ILE HD11 H 2.518 5.450 0.720 1.00 . B P . 105 ILE HD11 1 1 7 5087 2 2 5 ILE HD12 H 3.898 4.701 -0.093 1.00 . B P . 105 ILE HD12 1 1 7 5088 2 2 5 ILE HD13 H 4.093 5.365 1.528 1.00 . B P . 105 ILE HD13 1 1 7 5089 2 2 5 ILE HG12 H 3.517 2.726 0.863 1.00 . B P . 105 ILE HG12 1 1 7 5090 2 2 5 ILE HG13 H 1.959 3.395 1.388 1.00 . B P . 105 ILE HG13 1 1 7 5091 2 2 5 ILE HG21 H 3.557 1.629 4.227 1.00 . B P . 105 ILE HG21 1 1 7 5092 2 2 5 ILE HG22 H 3.714 1.206 2.521 1.00 . B P . 105 ILE HG22 1 1 7 5093 2 2 5 ILE HG23 H 2.138 1.649 3.180 1.00 . B P . 105 ILE HG23 1 1 7 5094 2 2 5 ILE N N 2.854 5.648 3.593 1.00 . B P . 105 ILE N 1 1 7 5095 2 2 5 ILE O O 4.294 4.659 5.681 1.00 . B P . 105 ILE O 1 1 7 5096 2 2 6 PRO C C 4.635 1.509 6.751 1.00 . B P . 106 PRO C 1 1 7 5097 2 2 6 PRO CA C 3.520 2.460 7.193 1.00 . B P . 106 PRO CA 1 1 7 5098 2 2 6 PRO CB C 2.407 1.693 7.917 1.00 . B P . 106 PRO CB 1 1 7 5099 2 2 6 PRO CD C 1.524 2.360 5.810 1.00 . B P . 106 PRO CD 1 1 7 5100 2 2 6 PRO CG C 1.490 1.260 6.823 1.00 . B P . 106 PRO CG 1 1 7 5101 2 2 6 PRO HA H 3.917 3.239 7.822 1.00 . B P . 106 PRO HA 1 1 7 5102 2 2 6 PRO HB2 H 2.832 0.848 8.437 1.00 . B P . 106 PRO HB2 1 1 7 5103 2 2 6 PRO HB3 H 1.909 2.345 8.618 1.00 . B P . 106 PRO HB3 1 1 7 5104 2 2 6 PRO HD2 H 1.461 1.953 4.813 1.00 . B P . 106 PRO HD2 1 1 7 5105 2 2 6 PRO HD3 H 0.721 3.058 5.980 1.00 . B P . 106 PRO HD3 1 1 7 5106 2 2 6 PRO HG2 H 1.847 0.340 6.385 1.00 . B P . 106 PRO HG2 1 1 7 5107 2 2 6 PRO HG3 H 0.488 1.136 7.193 1.00 . B P . 106 PRO HG3 1 1 7 5108 2 2 6 PRO N N 2.827 2.994 6.028 1.00 . B P . 106 PRO N 1 1 7 5109 2 2 6 PRO O O 4.515 0.845 5.723 1.00 . B P . 106 PRO O 1 1 7 5110 2 2 7 PRO C C 6.517 -0.933 7.532 1.00 . B P . 107 PRO C 1 1 7 5111 2 2 7 PRO CA C 6.820 0.513 7.159 1.00 . B P . 107 PRO CA 1 1 7 5112 2 2 7 PRO CB C 7.991 1.051 7.974 1.00 . B P . 107 PRO CB 1 1 7 5113 2 2 7 PRO CD C 6.001 2.171 8.742 1.00 . B P . 107 PRO CD 1 1 7 5114 2 2 7 PRO CG C 7.368 1.692 9.168 1.00 . B P . 107 PRO CG 1 1 7 5115 2 2 7 PRO HA H 7.051 0.564 6.098 1.00 . B P . 107 PRO HA 1 1 7 5116 2 2 7 PRO HB2 H 8.638 0.234 8.256 1.00 . B P . 107 PRO HB2 1 1 7 5117 2 2 7 PRO HB3 H 8.542 1.769 7.387 1.00 . B P . 107 PRO HB3 1 1 7 5118 2 2 7 PRO HD2 H 5.266 1.937 9.501 1.00 . B P . 107 PRO HD2 1 1 7 5119 2 2 7 PRO HD3 H 6.019 3.233 8.549 1.00 . B P . 107 PRO HD3 1 1 7 5120 2 2 7 PRO HG2 H 7.278 0.968 9.965 1.00 . B P . 107 PRO HG2 1 1 7 5121 2 2 7 PRO HG3 H 7.974 2.526 9.488 1.00 . B P . 107 PRO HG3 1 1 7 5122 2 2 7 PRO N N 5.730 1.417 7.503 1.00 . B P . 107 PRO N 1 1 7 5123 2 2 7 PRO O O 5.814 -1.197 8.509 1.00 . B P . 107 PRO O 1 1 7 5124 2 2 8 PRO C C 7.859 -3.745 8.171 1.00 . B P . 108 PRO C 1 1 7 5125 2 2 8 PRO CA C 6.914 -3.311 7.055 1.00 . B P . 108 PRO CA 1 1 7 5126 2 2 8 PRO CB C 7.298 -4.002 5.737 1.00 . B P . 108 PRO CB 1 1 7 5127 2 2 8 PRO CD C 7.840 -1.668 5.546 1.00 . B P . 108 PRO CD 1 1 7 5128 2 2 8 PRO CG C 7.543 -2.907 4.748 1.00 . B P . 108 PRO CG 1 1 7 5129 2 2 8 PRO HA H 5.898 -3.568 7.321 1.00 . B P . 108 PRO HA 1 1 7 5130 2 2 8 PRO HB2 H 8.188 -4.595 5.889 1.00 . B P . 108 PRO HB2 1 1 7 5131 2 2 8 PRO HB3 H 6.490 -4.645 5.418 1.00 . B P . 108 PRO HB3 1 1 7 5132 2 2 8 PRO HD2 H 8.895 -1.602 5.769 1.00 . B P . 108 PRO HD2 1 1 7 5133 2 2 8 PRO HD3 H 7.501 -0.788 5.021 1.00 . B P . 108 PRO HD3 1 1 7 5134 2 2 8 PRO HG2 H 8.388 -3.161 4.124 1.00 . B P . 108 PRO HG2 1 1 7 5135 2 2 8 PRO HG3 H 6.663 -2.760 4.142 1.00 . B P . 108 PRO HG3 1 1 7 5136 2 2 8 PRO N N 7.054 -1.888 6.764 1.00 . B P . 108 PRO N 1 1 7 5137 2 2 8 PRO O O 8.952 -3.190 8.311 1.00 . B P . 108 PRO O 1 1 7 5138 2 2 9 PRO C C 9.408 -6.143 9.580 1.00 . B P . 109 PRO C 1 1 7 5139 2 2 9 PRO CA C 8.283 -5.235 10.073 1.00 . B P . 109 PRO CA 1 1 7 5140 2 2 9 PRO CB C 7.295 -6.028 10.945 1.00 . B P . 109 PRO CB 1 1 7 5141 2 2 9 PRO CD C 6.191 -5.457 8.894 1.00 . B P . 109 PRO CD 1 1 7 5142 2 2 9 PRO CG C 5.947 -5.823 10.329 1.00 . B P . 109 PRO CG 1 1 7 5143 2 2 9 PRO HA H 8.704 -4.422 10.644 1.00 . B P . 109 PRO HA 1 1 7 5144 2 2 9 PRO HB2 H 7.572 -7.074 10.940 1.00 . B P . 109 PRO HB2 1 1 7 5145 2 2 9 PRO HB3 H 7.326 -5.653 11.954 1.00 . B P . 109 PRO HB3 1 1 7 5146 2 2 9 PRO HD2 H 6.277 -6.345 8.282 1.00 . B P . 109 PRO HD2 1 1 7 5147 2 2 9 PRO HD3 H 5.411 -4.810 8.525 1.00 . B P . 109 PRO HD3 1 1 7 5148 2 2 9 PRO HG2 H 5.376 -6.738 10.390 1.00 . B P . 109 PRO HG2 1 1 7 5149 2 2 9 PRO HG3 H 5.430 -5.022 10.840 1.00 . B P . 109 PRO HG3 1 1 7 5150 2 2 9 PRO N N 7.465 -4.742 8.972 1.00 . B P . 109 PRO N 1 1 7 5151 2 2 9 PRO O O 10.545 -5.646 9.423 1.00 . B P . 109 PRO O 1 1 7 5152 2 2 9 PRO OXT O 9.148 -7.339 9.341 1.00 . B P . 109 PRO OXT 1 1 8 5153 1 1 1 GLY C C -18.822 -11.895 -0.925 1.00 . A W . 1 GLY C 1 1 8 5154 1 1 1 GLY CA C -19.075 -12.842 -2.080 1.00 . A W . 1 GLY CA 1 1 8 5155 1 1 1 GLY H1 H -17.969 -11.779 -3.487 1.00 . A W . 1 GLY H1 1 1 8 5156 1 1 1 GLY H2 H -19.624 -11.386 -3.467 1.00 . A W . 1 GLY H2 1 1 8 5157 1 1 1 GLY H3 H -19.106 -12.839 -4.163 1.00 . A W . 1 GLY H3 1 1 8 5158 1 1 1 GLY HA2 H -20.075 -13.240 -1.999 1.00 . A W . 1 GLY HA2 1 1 8 5159 1 1 1 GLY HA3 H -18.367 -13.657 -2.029 1.00 . A W . 1 GLY HA3 1 1 8 5160 1 1 1 GLY N N -18.933 -12.166 -3.390 1.00 . A W . 1 GLY N 1 1 8 5161 1 1 1 GLY O O -18.726 -10.682 -1.121 1.00 . A W . 1 GLY O 1 1 8 5162 1 1 2 ALA C C -16.970 -11.466 1.692 1.00 . A W . 2 ALA C 1 1 8 5163 1 1 2 ALA CA C -18.468 -11.645 1.470 1.00 . A W . 2 ALA CA 1 1 8 5164 1 1 2 ALA CB C -19.110 -12.306 2.678 1.00 . A W . 2 ALA CB 1 1 8 5165 1 1 2 ALA H H -18.854 -13.412 0.373 1.00 . A W . 2 ALA H 1 1 8 5166 1 1 2 ALA HA H -18.920 -10.672 1.334 1.00 . A W . 2 ALA HA 1 1 8 5167 1 1 2 ALA HB1 H -18.663 -13.279 2.841 1.00 . A W . 2 ALA HB1 1 1 8 5168 1 1 2 ALA HB2 H -20.170 -12.423 2.502 1.00 . A W . 2 ALA HB2 1 1 8 5169 1 1 2 ALA HB3 H -18.956 -11.689 3.549 1.00 . A W . 2 ALA HB3 1 1 8 5170 1 1 2 ALA N N -18.729 -12.441 0.279 1.00 . A W . 2 ALA N 1 1 8 5171 1 1 2 ALA O O -16.509 -10.394 2.093 1.00 . A W . 2 ALA O 1 1 8 5172 1 1 3 THR C C -14.159 -12.026 0.231 1.00 . A W . 3 THR C 1 1 8 5173 1 1 3 THR CA C -14.769 -12.464 1.560 1.00 . A W . 3 THR CA 1 1 8 5174 1 1 3 THR CB C -14.175 -13.823 2.018 1.00 . A W . 3 THR CB 1 1 8 5175 1 1 3 THR CG2 C -14.575 -14.955 1.081 1.00 . A W . 3 THR CG2 1 1 8 5176 1 1 3 THR H H -16.634 -13.363 1.160 1.00 . A W . 3 THR H 1 1 8 5177 1 1 3 THR HA H -14.532 -11.722 2.309 1.00 . A W . 3 THR HA 1 1 8 5178 1 1 3 THR HB H -14.561 -14.046 3.005 1.00 . A W . 3 THR HB 1 1 8 5179 1 1 3 THR HG1 H -12.495 -13.125 2.797 1.00 . A W . 3 THR HG1 1 1 8 5180 1 1 3 THR HG21 H -14.149 -15.880 1.437 1.00 . A W . 3 THR HG21 1 1 8 5181 1 1 3 THR HG22 H -14.207 -14.751 0.086 1.00 . A W . 3 THR HG22 1 1 8 5182 1 1 3 THR HG23 H -15.652 -15.041 1.057 1.00 . A W . 3 THR HG23 1 1 8 5183 1 1 3 THR N N -16.212 -12.524 1.440 1.00 . A W . 3 THR N 1 1 8 5184 1 1 3 THR O O -14.407 -12.631 -0.819 1.00 . A W . 3 THR O 1 1 8 5185 1 1 3 THR OG1 O -12.744 -13.745 2.092 1.00 . A W . 3 THR OG1 1 1 8 5186 1 1 4 ALA C C -11.383 -9.907 -0.638 1.00 . A W . 4 ALA C 1 1 8 5187 1 1 4 ALA CA C -12.792 -10.407 -0.931 1.00 . A W . 4 ALA CA 1 1 8 5188 1 1 4 ALA CB C -13.652 -9.287 -1.502 1.00 . A W . 4 ALA CB 1 1 8 5189 1 1 4 ALA H H -13.232 -10.504 1.126 1.00 . A W . 4 ALA H 1 1 8 5190 1 1 4 ALA HA H -12.741 -11.201 -1.663 1.00 . A W . 4 ALA HA 1 1 8 5191 1 1 4 ALA HB1 H -14.638 -9.668 -1.725 1.00 . A W . 4 ALA HB1 1 1 8 5192 1 1 4 ALA HB2 H -13.197 -8.906 -2.406 1.00 . A W . 4 ALA HB2 1 1 8 5193 1 1 4 ALA HB3 H -13.730 -8.493 -0.775 1.00 . A W . 4 ALA HB3 1 1 8 5194 1 1 4 ALA N N -13.399 -10.946 0.269 1.00 . A W . 4 ALA N 1 1 8 5195 1 1 4 ALA O O -11.205 -8.821 -0.085 1.00 . A W . 4 ALA O 1 1 8 5196 1 1 5 VAL C C -8.569 -9.453 -2.009 1.00 . A W . 5 VAL C 1 1 8 5197 1 1 5 VAL CA C -8.999 -10.318 -0.827 1.00 . A W . 5 VAL CA 1 1 8 5198 1 1 5 VAL CB C -8.064 -11.542 -0.671 1.00 . A W . 5 VAL CB 1 1 8 5199 1 1 5 VAL CG1 C -8.247 -12.166 0.707 1.00 . A W . 5 VAL CG1 1 1 8 5200 1 1 5 VAL CG2 C -8.324 -12.573 -1.766 1.00 . A W . 5 VAL CG2 1 1 8 5201 1 1 5 VAL H H -10.602 -11.600 -1.359 1.00 . A W . 5 VAL H 1 1 8 5202 1 1 5 VAL HA H -8.926 -9.723 0.075 1.00 . A W . 5 VAL HA 1 1 8 5203 1 1 5 VAL HB H -7.041 -11.203 -0.756 1.00 . A W . 5 VAL HB 1 1 8 5204 1 1 5 VAL HG11 H -9.262 -12.527 0.809 1.00 . A W . 5 VAL HG11 1 1 8 5205 1 1 5 VAL HG12 H -8.053 -11.421 1.468 1.00 . A W . 5 VAL HG12 1 1 8 5206 1 1 5 VAL HG13 H -7.558 -12.989 0.827 1.00 . A W . 5 VAL HG13 1 1 8 5207 1 1 5 VAL HG21 H -7.652 -13.407 -1.639 1.00 . A W . 5 VAL HG21 1 1 8 5208 1 1 5 VAL HG22 H -8.157 -12.120 -2.734 1.00 . A W . 5 VAL HG22 1 1 8 5209 1 1 5 VAL HG23 H -9.345 -12.917 -1.703 1.00 . A W . 5 VAL HG23 1 1 8 5210 1 1 5 VAL N N -10.390 -10.714 -0.983 1.00 . A W . 5 VAL N 1 1 8 5211 1 1 5 VAL O O -7.881 -9.910 -2.923 1.00 . A W . 5 VAL O 1 1 8 5212 1 1 6 SER C C -9.230 -5.878 -2.739 1.00 . A W . 6 SER C 1 1 8 5213 1 1 6 SER CA C -8.753 -7.285 -3.087 1.00 . A W . 6 SER CA 1 1 8 5214 1 1 6 SER CB C -9.416 -7.777 -4.388 1.00 . A W . 6 SER CB 1 1 8 5215 1 1 6 SER H H -9.579 -7.907 -1.245 1.00 . A W . 6 SER H 1 1 8 5216 1 1 6 SER HA H -7.688 -7.250 -3.231 1.00 . A W . 6 SER HA 1 1 8 5217 1 1 6 SER HB2 H -9.204 -8.824 -4.519 1.00 . A W . 6 SER HB2 1 1 8 5218 1 1 6 SER HB3 H -10.484 -7.633 -4.321 1.00 . A W . 6 SER HB3 1 1 8 5219 1 1 6 SER HG H -8.015 -7.310 -5.676 1.00 . A W . 6 SER HG 1 1 8 5220 1 1 6 SER N N -9.032 -8.208 -2.004 1.00 . A W . 6 SER N 1 1 8 5221 1 1 6 SER O O -9.304 -5.503 -1.565 1.00 . A W . 6 SER O 1 1 8 5222 1 1 6 SER OG O -8.933 -7.075 -5.525 1.00 . A W . 6 SER OG 1 1 8 5223 1 1 7 GLU C C -8.505 -2.974 -3.369 1.00 . A W . 7 GLU C 1 1 8 5224 1 1 7 GLU CA C -9.798 -3.695 -3.698 1.00 . A W . 7 GLU CA 1 1 8 5225 1 1 7 GLU CB C -10.922 -3.336 -2.721 1.00 . A W . 7 GLU CB 1 1 8 5226 1 1 7 GLU CD C -13.402 -2.822 -2.675 1.00 . A W . 7 GLU CD 1 1 8 5227 1 1 7 GLU CG C -12.302 -3.699 -3.246 1.00 . A W . 7 GLU CG 1 1 8 5228 1 1 7 GLU H H -9.580 -5.555 -4.662 1.00 . A W . 7 GLU H 1 1 8 5229 1 1 7 GLU HA H -10.100 -3.380 -4.690 1.00 . A W . 7 GLU HA 1 1 8 5230 1 1 7 GLU HB2 H -10.759 -3.865 -1.794 1.00 . A W . 7 GLU HB2 1 1 8 5231 1 1 7 GLU HB3 H -10.898 -2.274 -2.532 1.00 . A W . 7 GLU HB3 1 1 8 5232 1 1 7 GLU HG2 H -12.304 -3.598 -4.320 1.00 . A W . 7 GLU HG2 1 1 8 5233 1 1 7 GLU HG3 H -12.510 -4.728 -2.982 1.00 . A W . 7 GLU HG3 1 1 8 5234 1 1 7 GLU N N -9.544 -5.124 -3.781 1.00 . A W . 7 GLU N 1 1 8 5235 1 1 7 GLU O O -8.189 -2.677 -2.215 1.00 . A W . 7 GLU O 1 1 8 5236 1 1 7 GLU OE1 O -13.520 -1.650 -3.104 1.00 . A W . 7 GLU OE1 1 1 8 5237 1 1 7 GLU OE2 O -14.169 -3.305 -1.818 1.00 . A W . 7 GLU OE2 1 1 8 5238 1 1 8 TRP C C -6.396 -0.886 -5.196 1.00 . A W . 8 TRP C 1 1 8 5239 1 1 8 TRP CA C -6.438 -2.134 -4.323 1.00 . A W . 8 TRP CA 1 1 8 5240 1 1 8 TRP CB C -5.395 -3.131 -4.853 1.00 . A W . 8 TRP CB 1 1 8 5241 1 1 8 TRP CD1 C -5.609 -5.699 -4.734 1.00 . A W . 8 TRP CD1 1 1 8 5242 1 1 8 TRP CD2 C -5.263 -4.688 -2.790 1.00 . A W . 8 TRP CD2 1 1 8 5243 1 1 8 TRP CE2 C -5.351 -6.069 -2.551 1.00 . A W . 8 TRP CE2 1 1 8 5244 1 1 8 TRP CE3 C -5.055 -3.832 -1.738 1.00 . A W . 8 TRP CE3 1 1 8 5245 1 1 8 TRP CG C -5.419 -4.467 -4.172 1.00 . A W . 8 TRP CG 1 1 8 5246 1 1 8 TRP CH2 C -5.037 -5.726 -0.244 1.00 . A W . 8 TRP CH2 1 1 8 5247 1 1 8 TRP CZ2 C -5.232 -6.607 -1.270 1.00 . A W . 8 TRP CZ2 1 1 8 5248 1 1 8 TRP CZ3 C -4.948 -4.358 -0.476 1.00 . A W . 8 TRP CZ3 1 1 8 5249 1 1 8 TRP H H -8.096 -2.971 -5.314 1.00 . A W . 8 TRP H 1 1 8 5250 1 1 8 TRP HA H -6.228 -1.891 -3.278 1.00 . A W . 8 TRP HA 1 1 8 5251 1 1 8 TRP HB2 H -5.576 -3.295 -5.904 1.00 . A W . 8 TRP HB2 1 1 8 5252 1 1 8 TRP HB3 H -4.411 -2.709 -4.724 1.00 . A W . 8 TRP HB3 1 1 8 5253 1 1 8 TRP HD1 H -5.757 -5.872 -5.786 1.00 . A W . 8 TRP HD1 1 1 8 5254 1 1 8 TRP HE1 H -5.656 -7.641 -3.908 1.00 . A W . 8 TRP HE1 1 1 8 5255 1 1 8 TRP HE3 H -4.968 -2.764 -1.912 1.00 . A W . 8 TRP HE3 1 1 8 5256 1 1 8 TRP HH2 H -4.940 -6.072 0.780 1.00 . A W . 8 TRP HH2 1 1 8 5257 1 1 8 TRP HZ2 H -5.303 -7.669 -1.081 1.00 . A W . 8 TRP HZ2 1 1 8 5258 1 1 8 TRP HZ3 H -4.830 -3.702 0.373 1.00 . A W . 8 TRP HZ3 1 1 8 5259 1 1 8 TRP N N -7.755 -2.724 -4.422 1.00 . A W . 8 TRP N 1 1 8 5260 1 1 8 TRP NE1 N -5.553 -6.674 -3.762 1.00 . A W . 8 TRP NE1 1 1 8 5261 1 1 8 TRP O O -6.541 -0.982 -6.413 1.00 . A W . 8 TRP O 1 1 8 5262 1 1 9 THR C C -4.784 1.999 -5.586 1.00 . A W . 9 THR C 1 1 8 5263 1 1 9 THR CA C -6.195 1.516 -5.363 1.00 . A W . 9 THR CA 1 1 8 5264 1 1 9 THR CB C -7.061 2.649 -4.737 1.00 . A W . 9 THR CB 1 1 8 5265 1 1 9 THR CG2 C -7.087 2.554 -3.222 1.00 . A W . 9 THR CG2 1 1 8 5266 1 1 9 THR H H -6.144 0.313 -3.617 1.00 . A W . 9 THR H 1 1 8 5267 1 1 9 THR HA H -6.617 1.285 -6.331 1.00 . A W . 9 THR HA 1 1 8 5268 1 1 9 THR HB H -8.044 2.530 -5.110 1.00 . A W . 9 THR HB 1 1 8 5269 1 1 9 THR HG1 H -7.386 4.560 -5.128 1.00 . A W . 9 THR HG1 1 1 8 5270 1 1 9 THR HG21 H -6.076 2.623 -2.839 1.00 . A W . 9 THR HG21 1 1 8 5271 1 1 9 THR HG22 H -7.517 1.609 -2.927 1.00 . A W . 9 THR HG22 1 1 8 5272 1 1 9 THR HG23 H -7.681 3.362 -2.820 1.00 . A W . 9 THR HG23 1 1 8 5273 1 1 9 THR N N -6.235 0.280 -4.590 1.00 . A W . 9 THR N 1 1 8 5274 1 1 9 THR O O -3.821 1.466 -5.041 1.00 . A W . 9 THR O 1 1 8 5275 1 1 9 THR OG1 O -6.632 3.961 -5.128 1.00 . A W . 9 THR OG1 1 1 8 5276 1 1 10 GLU C C -3.197 4.915 -6.090 1.00 . A W . 10 GLU C 1 1 8 5277 1 1 10 GLU CA C -3.427 3.594 -6.792 1.00 . A W . 10 GLU CA 1 1 8 5278 1 1 10 GLU CB C -3.366 3.805 -8.300 1.00 . A W . 10 GLU CB 1 1 8 5279 1 1 10 GLU CD C -3.519 2.787 -10.602 1.00 . A W . 10 GLU CD 1 1 8 5280 1 1 10 GLU CG C -3.610 2.543 -9.112 1.00 . A W . 10 GLU CG 1 1 8 5281 1 1 10 GLU H H -5.556 3.458 -6.650 1.00 . A W . 10 GLU H 1 1 8 5282 1 1 10 GLU HA H -2.650 2.905 -6.497 1.00 . A W . 10 GLU HA 1 1 8 5283 1 1 10 GLU HB2 H -4.103 4.539 -8.572 1.00 . A W . 10 GLU HB2 1 1 8 5284 1 1 10 GLU HB3 H -2.386 4.184 -8.550 1.00 . A W . 10 GLU HB3 1 1 8 5285 1 1 10 GLU HG2 H -2.873 1.805 -8.834 1.00 . A W . 10 GLU HG2 1 1 8 5286 1 1 10 GLU HG3 H -4.597 2.167 -8.886 1.00 . A W . 10 GLU HG3 1 1 8 5287 1 1 10 GLU N N -4.700 3.026 -6.383 1.00 . A W . 10 GLU N 1 1 8 5288 1 1 10 GLU O O -3.952 5.874 -6.272 1.00 . A W . 10 GLU O 1 1 8 5289 1 1 10 GLU OE1 O -2.389 2.798 -11.140 1.00 . A W . 10 GLU OE1 1 1 8 5290 1 1 10 GLU OE2 O -4.574 2.982 -11.241 1.00 . A W . 10 GLU OE2 1 1 8 5291 1 1 11 TYR C C -0.372 6.540 -4.774 1.00 . A W . 11 TYR C 1 1 8 5292 1 1 11 TYR CA C -1.821 6.145 -4.533 1.00 . A W . 11 TYR CA 1 1 8 5293 1 1 11 TYR CB C -2.088 5.939 -3.038 1.00 . A W . 11 TYR CB 1 1 8 5294 1 1 11 TYR CD1 C -4.600 5.704 -2.886 1.00 . A W . 11 TYR CD1 1 1 8 5295 1 1 11 TYR CD2 C -3.584 7.639 -1.936 1.00 . A W . 11 TYR CD2 1 1 8 5296 1 1 11 TYR CE1 C -5.844 6.168 -2.504 1.00 . A W . 11 TYR CE1 1 1 8 5297 1 1 11 TYR CE2 C -4.820 8.104 -1.550 1.00 . A W . 11 TYR CE2 1 1 8 5298 1 1 11 TYR CG C -3.449 6.431 -2.610 1.00 . A W . 11 TYR CG 1 1 8 5299 1 1 11 TYR CZ C -5.948 7.367 -1.837 1.00 . A W . 11 TYR CZ 1 1 8 5300 1 1 11 TYR H H -1.594 4.158 -5.205 1.00 . A W . 11 TYR H 1 1 8 5301 1 1 11 TYR HA H -2.457 6.943 -4.887 1.00 . A W . 11 TYR HA 1 1 8 5302 1 1 11 TYR HB2 H -2.021 4.886 -2.798 1.00 . A W . 11 TYR HB2 1 1 8 5303 1 1 11 TYR HB3 H -1.346 6.478 -2.466 1.00 . A W . 11 TYR HB3 1 1 8 5304 1 1 11 TYR HD1 H -4.515 4.766 -3.412 1.00 . A W . 11 TYR HD1 1 1 8 5305 1 1 11 TYR HD2 H -2.700 8.219 -1.711 1.00 . A W . 11 TYR HD2 1 1 8 5306 1 1 11 TYR HE1 H -6.729 5.590 -2.729 1.00 . A W . 11 TYR HE1 1 1 8 5307 1 1 11 TYR HE2 H -4.900 9.047 -1.026 1.00 . A W . 11 TYR HE2 1 1 8 5308 1 1 11 TYR HH H -7.717 7.102 -1.114 1.00 . A W . 11 TYR HH 1 1 8 5309 1 1 11 TYR N N -2.160 4.956 -5.289 1.00 . A W . 11 TYR N 1 1 8 5310 1 1 11 TYR O O 0.555 5.875 -4.313 1.00 . A W . 11 TYR O 1 1 8 5311 1 1 11 TYR OH O -7.183 7.836 -1.459 1.00 . A W . 11 TYR OH 1 1 8 5312 1 1 12 LYS C C 1.452 9.204 -4.704 1.00 . A W . 12 LYS C 1 1 8 5313 1 1 12 LYS CA C 1.134 8.162 -5.765 1.00 . A W . 12 LYS CA 1 1 8 5314 1 1 12 LYS CB C 1.220 8.809 -7.148 1.00 . A W . 12 LYS CB 1 1 8 5315 1 1 12 LYS CD C 1.162 8.575 -9.639 1.00 . A W . 12 LYS CD 1 1 8 5316 1 1 12 LYS CE C 1.112 7.621 -10.820 1.00 . A W . 12 LYS CE 1 1 8 5317 1 1 12 LYS CG C 1.108 7.838 -8.311 1.00 . A W . 12 LYS CG 1 1 8 5318 1 1 12 LYS H H -0.962 8.039 -5.944 1.00 . A W . 12 LYS H 1 1 8 5319 1 1 12 LYS HA H 1.852 7.361 -5.701 1.00 . A W . 12 LYS HA 1 1 8 5320 1 1 12 LYS HB2 H 0.424 9.530 -7.241 1.00 . A W . 12 LYS HB2 1 1 8 5321 1 1 12 LYS HB3 H 2.165 9.322 -7.231 1.00 . A W . 12 LYS HB3 1 1 8 5322 1 1 12 LYS HD2 H 0.321 9.248 -9.700 1.00 . A W . 12 LYS HD2 1 1 8 5323 1 1 12 LYS HD3 H 2.082 9.143 -9.684 1.00 . A W . 12 LYS HD3 1 1 8 5324 1 1 12 LYS HE2 H 1.984 6.983 -10.788 1.00 . A W . 12 LYS HE2 1 1 8 5325 1 1 12 LYS HE3 H 0.223 7.017 -10.744 1.00 . A W . 12 LYS HE3 1 1 8 5326 1 1 12 LYS HG2 H 1.927 7.135 -8.266 1.00 . A W . 12 LYS HG2 1 1 8 5327 1 1 12 LYS HG3 H 0.169 7.310 -8.239 1.00 . A W . 12 LYS HG3 1 1 8 5328 1 1 12 LYS HZ1 H 0.268 8.991 -12.147 1.00 . A W . 12 LYS HZ1 1 1 8 5329 1 1 12 LYS HZ2 H 1.033 7.681 -12.907 1.00 . A W . 12 LYS HZ2 1 1 8 5330 1 1 12 LYS HZ3 H 1.962 8.924 -12.214 1.00 . A W . 12 LYS HZ3 1 1 8 5331 1 1 12 LYS N N -0.188 7.607 -5.533 1.00 . A W . 12 LYS N 1 1 8 5332 1 1 12 LYS NZ N 1.094 8.353 -12.110 1.00 . A W . 12 LYS NZ 1 1 8 5333 1 1 12 LYS O O 0.809 10.253 -4.647 1.00 . A W . 12 LYS O 1 1 8 5334 1 1 13 THR C C 3.676 10.971 -3.497 1.00 . A W . 13 THR C 1 1 8 5335 1 1 13 THR CA C 2.851 9.868 -2.853 1.00 . A W . 13 THR CA 1 1 8 5336 1 1 13 THR CB C 3.670 9.188 -1.744 1.00 . A W . 13 THR CB 1 1 8 5337 1 1 13 THR CG2 C 2.773 8.356 -0.842 1.00 . A W . 13 THR CG2 1 1 8 5338 1 1 13 THR H H 2.880 8.046 -3.923 1.00 . A W . 13 THR H 1 1 8 5339 1 1 13 THR HA H 1.966 10.302 -2.408 1.00 . A W . 13 THR HA 1 1 8 5340 1 1 13 THR HB H 4.139 9.955 -1.149 1.00 . A W . 13 THR HB 1 1 8 5341 1 1 13 THR HG1 H 5.068 7.797 -1.646 1.00 . A W . 13 THR HG1 1 1 8 5342 1 1 13 THR HG21 H 2.276 7.596 -1.428 1.00 . A W . 13 THR HG21 1 1 8 5343 1 1 13 THR HG22 H 2.035 8.998 -0.381 1.00 . A W . 13 THR HG22 1 1 8 5344 1 1 13 THR HG23 H 3.368 7.885 -0.073 1.00 . A W . 13 THR HG23 1 1 8 5345 1 1 13 THR N N 2.428 8.915 -3.861 1.00 . A W . 13 THR N 1 1 8 5346 1 1 13 THR O O 4.186 10.802 -4.609 1.00 . A W . 13 THR O 1 1 8 5347 1 1 13 THR OG1 O 4.689 8.360 -2.325 1.00 . A W . 13 THR OG1 1 1 8 5348 1 1 14 ALA C C 6.062 12.827 -3.484 1.00 . A W . 14 ALA C 1 1 8 5349 1 1 14 ALA CA C 4.595 13.214 -3.319 1.00 . A W . 14 ALA CA 1 1 8 5350 1 1 14 ALA CB C 4.459 14.416 -2.401 1.00 . A W . 14 ALA CB 1 1 8 5351 1 1 14 ALA H H 3.377 12.179 -1.928 1.00 . A W . 14 ALA H 1 1 8 5352 1 1 14 ALA HA H 4.194 13.486 -4.286 1.00 . A W . 14 ALA HA 1 1 8 5353 1 1 14 ALA HB1 H 5.012 15.248 -2.809 1.00 . A W . 14 ALA HB1 1 1 8 5354 1 1 14 ALA HB2 H 4.850 14.169 -1.425 1.00 . A W . 14 ALA HB2 1 1 8 5355 1 1 14 ALA HB3 H 3.417 14.684 -2.313 1.00 . A W . 14 ALA HB3 1 1 8 5356 1 1 14 ALA N N 3.815 12.095 -2.806 1.00 . A W . 14 ALA N 1 1 8 5357 1 1 14 ALA O O 6.807 13.476 -4.220 1.00 . A W . 14 ALA O 1 1 8 5358 1 1 15 ASP C C 8.090 10.686 -4.298 1.00 . A W . 15 ASP C 1 1 8 5359 1 1 15 ASP CA C 7.827 11.241 -2.899 1.00 . A W . 15 ASP CA 1 1 8 5360 1 1 15 ASP CB C 8.068 10.152 -1.856 1.00 . A W . 15 ASP CB 1 1 8 5361 1 1 15 ASP CG C 9.405 9.460 -2.052 1.00 . A W . 15 ASP CG 1 1 8 5362 1 1 15 ASP H H 5.833 11.326 -2.191 1.00 . A W . 15 ASP H 1 1 8 5363 1 1 15 ASP HA H 8.511 12.059 -2.717 1.00 . A W . 15 ASP HA 1 1 8 5364 1 1 15 ASP HB2 H 8.049 10.594 -0.872 1.00 . A W . 15 ASP HB2 1 1 8 5365 1 1 15 ASP HB3 H 7.288 9.411 -1.929 1.00 . A W . 15 ASP HB3 1 1 8 5366 1 1 15 ASP N N 6.467 11.767 -2.791 1.00 . A W . 15 ASP N 1 1 8 5367 1 1 15 ASP O O 9.174 10.863 -4.857 1.00 . A W . 15 ASP O 1 1 8 5368 1 1 15 ASP OD1 O 10.451 10.116 -1.860 1.00 . A W . 15 ASP OD1 1 1 8 5369 1 1 15 ASP OD2 O 9.412 8.261 -2.402 1.00 . A W . 15 ASP OD2 1 1 8 5370 1 1 16 GLY C C 7.157 7.975 -6.204 1.00 . A W . 16 GLY C 1 1 8 5371 1 1 16 GLY CA C 7.209 9.487 -6.197 1.00 . A W . 16 GLY CA 1 1 8 5372 1 1 16 GLY H H 6.231 9.962 -4.383 1.00 . A W . 16 GLY H 1 1 8 5373 1 1 16 GLY HA2 H 6.404 9.858 -6.812 1.00 . A W . 16 GLY HA2 1 1 8 5374 1 1 16 GLY HA3 H 8.151 9.808 -6.620 1.00 . A W . 16 GLY HA3 1 1 8 5375 1 1 16 GLY N N 7.078 10.047 -4.868 1.00 . A W . 16 GLY N 1 1 8 5376 1 1 16 GLY O O 7.850 7.324 -6.988 1.00 . A W . 16 GLY O 1 1 8 5377 1 1 17 LYS C C 4.721 5.585 -5.566 1.00 . A W . 17 LYS C 1 1 8 5378 1 1 17 LYS CA C 6.164 5.968 -5.268 1.00 . A W . 17 LYS CA 1 1 8 5379 1 1 17 LYS CB C 6.569 5.453 -3.880 1.00 . A W . 17 LYS CB 1 1 8 5380 1 1 17 LYS CD C 8.922 4.626 -4.280 1.00 . A W . 17 LYS CD 1 1 8 5381 1 1 17 LYS CE C 8.716 3.223 -3.724 1.00 . A W . 17 LYS CE 1 1 8 5382 1 1 17 LYS CG C 8.045 5.644 -3.563 1.00 . A W . 17 LYS CG 1 1 8 5383 1 1 17 LYS H H 5.800 7.982 -4.742 1.00 . A W . 17 LYS H 1 1 8 5384 1 1 17 LYS HA H 6.805 5.519 -6.012 1.00 . A W . 17 LYS HA 1 1 8 5385 1 1 17 LYS HB2 H 5.991 5.975 -3.129 1.00 . A W . 17 LYS HB2 1 1 8 5386 1 1 17 LYS HB3 H 6.344 4.400 -3.824 1.00 . A W . 17 LYS HB3 1 1 8 5387 1 1 17 LYS HD2 H 8.674 4.627 -5.332 1.00 . A W . 17 LYS HD2 1 1 8 5388 1 1 17 LYS HD3 H 9.958 4.906 -4.154 1.00 . A W . 17 LYS HD3 1 1 8 5389 1 1 17 LYS HE2 H 8.900 3.243 -2.660 1.00 . A W . 17 LYS HE2 1 1 8 5390 1 1 17 LYS HE3 H 7.693 2.923 -3.905 1.00 . A W . 17 LYS HE3 1 1 8 5391 1 1 17 LYS HG2 H 8.340 6.633 -3.872 1.00 . A W . 17 LYS HG2 1 1 8 5392 1 1 17 LYS HG3 H 8.189 5.543 -2.499 1.00 . A W . 17 LYS HG3 1 1 8 5393 1 1 17 LYS HZ1 H 9.446 1.277 -3.981 1.00 . A W . 17 LYS HZ1 1 1 8 5394 1 1 17 LYS HZ2 H 10.623 2.490 -4.168 1.00 . A W . 17 LYS HZ2 1 1 8 5395 1 1 17 LYS HZ3 H 9.483 2.228 -5.388 1.00 . A W . 17 LYS HZ3 1 1 8 5396 1 1 17 LYS N N 6.326 7.412 -5.341 1.00 . A W . 17 LYS N 1 1 8 5397 1 1 17 LYS NZ N 9.630 2.235 -4.359 1.00 . A W . 17 LYS NZ 1 1 8 5398 1 1 17 LYS O O 3.792 6.226 -5.076 1.00 . A W . 17 LYS O 1 1 8 5399 1 1 18 THR C C 2.877 2.982 -5.603 1.00 . A W . 18 THR C 1 1 8 5400 1 1 18 THR CA C 3.218 4.021 -6.653 1.00 . A W . 18 THR CA 1 1 8 5401 1 1 18 THR CB C 3.143 3.379 -8.055 1.00 . A W . 18 THR CB 1 1 8 5402 1 1 18 THR CG2 C 1.838 2.608 -8.246 1.00 . A W . 18 THR CG2 1 1 8 5403 1 1 18 THR H H 5.316 4.151 -6.829 1.00 . A W . 18 THR H 1 1 8 5404 1 1 18 THR HA H 2.504 4.829 -6.600 1.00 . A W . 18 THR HA 1 1 8 5405 1 1 18 THR HB H 3.969 2.686 -8.150 1.00 . A W . 18 THR HB 1 1 8 5406 1 1 18 THR HG1 H 3.794 5.122 -8.714 1.00 . A W . 18 THR HG1 1 1 8 5407 1 1 18 THR HG21 H 1.759 2.281 -9.273 1.00 . A W . 18 THR HG21 1 1 8 5408 1 1 18 THR HG22 H 1.002 3.250 -8.010 1.00 . A W . 18 THR HG22 1 1 8 5409 1 1 18 THR HG23 H 1.830 1.743 -7.592 1.00 . A W . 18 THR HG23 1 1 8 5410 1 1 18 THR N N 4.540 4.560 -6.388 1.00 . A W . 18 THR N 1 1 8 5411 1 1 18 THR O O 3.384 1.861 -5.648 1.00 . A W . 18 THR O 1 1 8 5412 1 1 18 THR OG1 O 3.274 4.395 -9.063 1.00 . A W . 18 THR OG1 1 1 8 5413 1 1 19 TYR C C 0.145 2.231 -3.640 1.00 . A W . 19 TYR C 1 1 8 5414 1 1 19 TYR CA C 1.654 2.431 -3.612 1.00 . A W . 19 TYR CA 1 1 8 5415 1 1 19 TYR CB C 2.196 2.851 -2.234 1.00 . A W . 19 TYR CB 1 1 8 5416 1 1 19 TYR CD1 C 0.351 2.807 -0.474 1.00 . A W . 19 TYR CD1 1 1 8 5417 1 1 19 TYR CD2 C 1.346 4.886 -1.021 1.00 . A W . 19 TYR CD2 1 1 8 5418 1 1 19 TYR CE1 C -0.422 3.409 0.493 1.00 . A W . 19 TYR CE1 1 1 8 5419 1 1 19 TYR CE2 C 0.571 5.499 -0.059 1.00 . A W . 19 TYR CE2 1 1 8 5420 1 1 19 TYR CG C 1.251 3.531 -1.252 1.00 . A W . 19 TYR CG 1 1 8 5421 1 1 19 TYR CZ C -0.307 4.757 0.701 1.00 . A W . 19 TYR CZ 1 1 8 5422 1 1 19 TYR H H 1.723 4.290 -4.615 1.00 . A W . 19 TYR H 1 1 8 5423 1 1 19 TYR HA H 2.112 1.481 -3.868 1.00 . A W . 19 TYR HA 1 1 8 5424 1 1 19 TYR HB2 H 2.568 1.969 -1.739 1.00 . A W . 19 TYR HB2 1 1 8 5425 1 1 19 TYR HB3 H 3.032 3.524 -2.391 1.00 . A W . 19 TYR HB3 1 1 8 5426 1 1 19 TYR HD1 H 0.250 1.743 -0.636 1.00 . A W . 19 TYR HD1 1 1 8 5427 1 1 19 TYR HD2 H 2.018 5.473 -1.626 1.00 . A W . 19 TYR HD2 1 1 8 5428 1 1 19 TYR HE1 H -1.106 2.812 1.089 1.00 . A W . 19 TYR HE1 1 1 8 5429 1 1 19 TYR HE2 H 0.687 6.544 0.123 1.00 . A W . 19 TYR HE2 1 1 8 5430 1 1 19 TYR HH H -1.101 4.815 2.452 1.00 . A W . 19 TYR HH 1 1 8 5431 1 1 19 TYR N N 2.062 3.366 -4.634 1.00 . A W . 19 TYR N 1 1 8 5432 1 1 19 TYR O O -0.588 3.026 -4.228 1.00 . A W . 19 TYR O 1 1 8 5433 1 1 19 TYR OH O -1.074 5.371 1.664 1.00 . A W . 19 TYR OH 1 1 8 5434 1 1 20 TYR C C -2.332 1.028 -1.691 1.00 . A W . 20 TYR C 1 1 8 5435 1 1 20 TYR CA C -1.703 0.775 -3.039 1.00 . A W . 20 TYR CA 1 1 8 5436 1 1 20 TYR CB C -1.852 -0.714 -3.342 1.00 . A W . 20 TYR CB 1 1 8 5437 1 1 20 TYR CD1 C 0.108 -1.342 -4.810 1.00 . A W . 20 TYR CD1 1 1 8 5438 1 1 20 TYR CD2 C -2.088 -1.360 -5.737 1.00 . A W . 20 TYR CD2 1 1 8 5439 1 1 20 TYR CE1 C 0.628 -1.733 -6.017 1.00 . A W . 20 TYR CE1 1 1 8 5440 1 1 20 TYR CE2 C -1.571 -1.753 -6.954 1.00 . A W . 20 TYR CE2 1 1 8 5441 1 1 20 TYR CG C -1.264 -1.147 -4.651 1.00 . A W . 20 TYR CG 1 1 8 5442 1 1 20 TYR CZ C -0.211 -1.936 -7.093 1.00 . A W . 20 TYR CZ 1 1 8 5443 1 1 20 TYR H H 0.329 0.605 -2.527 1.00 . A W . 20 TYR H 1 1 8 5444 1 1 20 TYR HA H -2.215 1.351 -3.792 1.00 . A W . 20 TYR HA 1 1 8 5445 1 1 20 TYR HB2 H -1.366 -1.281 -2.563 1.00 . A W . 20 TYR HB2 1 1 8 5446 1 1 20 TYR HB3 H -2.902 -0.962 -3.353 1.00 . A W . 20 TYR HB3 1 1 8 5447 1 1 20 TYR HD1 H 0.776 -1.196 -3.965 1.00 . A W . 20 TYR HD1 1 1 8 5448 1 1 20 TYR HD2 H -3.157 -1.216 -5.615 1.00 . A W . 20 TYR HD2 1 1 8 5449 1 1 20 TYR HE1 H 1.689 -1.876 -6.111 1.00 . A W . 20 TYR HE1 1 1 8 5450 1 1 20 TYR HE2 H -2.230 -1.918 -7.791 1.00 . A W . 20 TYR HE2 1 1 8 5451 1 1 20 TYR HH H -0.070 -1.784 -9.008 1.00 . A W . 20 TYR HH 1 1 8 5452 1 1 20 TYR N N -0.304 1.158 -3.019 1.00 . A W . 20 TYR N 1 1 8 5453 1 1 20 TYR O O -1.684 0.897 -0.652 1.00 . A W . 20 TYR O 1 1 8 5454 1 1 20 TYR OH O 0.304 -2.332 -8.309 1.00 . A W . 20 TYR OH 1 1 8 5455 1 1 21 TYR C C -5.363 0.537 -0.263 1.00 . A W . 21 TYR C 1 1 8 5456 1 1 21 TYR CA C -4.309 1.589 -0.466 1.00 . A W . 21 TYR CA 1 1 8 5457 1 1 21 TYR CB C -4.927 2.986 -0.490 1.00 . A W . 21 TYR CB 1 1 8 5458 1 1 21 TYR CD1 C -4.609 4.093 1.761 1.00 . A W . 21 TYR CD1 1 1 8 5459 1 1 21 TYR CD2 C -6.793 3.306 1.192 1.00 . A W . 21 TYR CD2 1 1 8 5460 1 1 21 TYR CE1 C -5.088 4.551 2.973 1.00 . A W . 21 TYR CE1 1 1 8 5461 1 1 21 TYR CE2 C -7.277 3.768 2.400 1.00 . A W . 21 TYR CE2 1 1 8 5462 1 1 21 TYR CG C -5.452 3.462 0.849 1.00 . A W . 21 TYR CG 1 1 8 5463 1 1 21 TYR CZ C -6.422 4.388 3.286 1.00 . A W . 21 TYR CZ 1 1 8 5464 1 1 21 TYR H H -4.096 1.329 -2.548 1.00 . A W . 21 TYR H 1 1 8 5465 1 1 21 TYR HA H -3.596 1.527 0.345 1.00 . A W . 21 TYR HA 1 1 8 5466 1 1 21 TYR HB2 H -4.182 3.694 -0.818 1.00 . A W . 21 TYR HB2 1 1 8 5467 1 1 21 TYR HB3 H -5.751 2.989 -1.191 1.00 . A W . 21 TYR HB3 1 1 8 5468 1 1 21 TYR HD1 H -3.560 4.211 1.519 1.00 . A W . 21 TYR HD1 1 1 8 5469 1 1 21 TYR HD2 H -7.464 2.808 0.500 1.00 . A W . 21 TYR HD2 1 1 8 5470 1 1 21 TYR HE1 H -4.420 5.039 3.666 1.00 . A W . 21 TYR HE1 1 1 8 5471 1 1 21 TYR HE2 H -8.320 3.641 2.647 1.00 . A W . 21 TYR HE2 1 1 8 5472 1 1 21 TYR HH H -7.463 4.188 4.891 1.00 . A W . 21 TYR HH 1 1 8 5473 1 1 21 TYR N N -3.611 1.306 -1.697 1.00 . A W . 21 TYR N 1 1 8 5474 1 1 21 TYR O O -6.446 0.576 -0.846 1.00 . A W . 21 TYR O 1 1 8 5475 1 1 21 TYR OH O -6.909 4.860 4.484 1.00 . A W . 21 TYR OH 1 1 8 5476 1 1 22 ASN C C -7.120 -1.166 1.419 1.00 . A W . 22 ASN C 1 1 8 5477 1 1 22 ASN CA C -5.783 -1.585 0.846 1.00 . A W . 22 ASN CA 1 1 8 5478 1 1 22 ASN CB C -5.023 -2.425 1.883 1.00 . A W . 22 ASN CB 1 1 8 5479 1 1 22 ASN CG C -5.879 -3.471 2.582 1.00 . A W . 22 ASN CG 1 1 8 5480 1 1 22 ASN H H -4.081 -0.373 0.928 1.00 . A W . 22 ASN H 1 1 8 5481 1 1 22 ASN HA H -5.934 -2.168 -0.066 1.00 . A W . 22 ASN HA 1 1 8 5482 1 1 22 ASN HB2 H -4.212 -2.935 1.384 1.00 . A W . 22 ASN HB2 1 1 8 5483 1 1 22 ASN HB3 H -4.613 -1.763 2.630 1.00 . A W . 22 ASN HB3 1 1 8 5484 1 1 22 ASN HD21 H -6.495 -2.154 3.929 1.00 . A W . 22 ASN HD21 1 1 8 5485 1 1 22 ASN HD22 H -7.117 -3.749 4.095 1.00 . A W . 22 ASN HD22 1 1 8 5486 1 1 22 ASN N N -4.971 -0.437 0.523 1.00 . A W . 22 ASN N 1 1 8 5487 1 1 22 ASN ND2 N -6.567 -3.087 3.643 1.00 . A W . 22 ASN ND2 1 1 8 5488 1 1 22 ASN O O -7.181 -0.511 2.462 1.00 . A W . 22 ASN O 1 1 8 5489 1 1 22 ASN OD1 O -5.912 -4.619 2.185 1.00 . A W . 22 ASN OD1 1 1 8 5490 1 1 23 ASN C C -9.940 -2.472 2.171 1.00 . A W . 23 ASN C 1 1 8 5491 1 1 23 ASN CA C -9.513 -1.305 1.283 1.00 . A W . 23 ASN CA 1 1 8 5492 1 1 23 ASN CB C -10.522 -1.093 0.147 1.00 . A W . 23 ASN CB 1 1 8 5493 1 1 23 ASN CG C -11.914 -0.750 0.653 1.00 . A W . 23 ASN CG 1 1 8 5494 1 1 23 ASN H H -8.087 -2.019 -0.107 1.00 . A W . 23 ASN H 1 1 8 5495 1 1 23 ASN HA H -9.461 -0.405 1.881 1.00 . A W . 23 ASN HA 1 1 8 5496 1 1 23 ASN HB2 H -10.180 -0.284 -0.482 1.00 . A W . 23 ASN HB2 1 1 8 5497 1 1 23 ASN HB3 H -10.586 -2.000 -0.439 1.00 . A W . 23 ASN HB3 1 1 8 5498 1 1 23 ASN HD21 H -11.447 1.177 0.734 1.00 . A W . 23 ASN HD21 1 1 8 5499 1 1 23 ASN HD22 H -13.052 0.774 1.228 1.00 . A W . 23 ASN HD22 1 1 8 5500 1 1 23 ASN N N -8.188 -1.558 0.756 1.00 . A W . 23 ASN N 1 1 8 5501 1 1 23 ASN ND2 N -12.162 0.529 0.893 1.00 . A W . 23 ASN ND2 1 1 8 5502 1 1 23 ASN O O -10.890 -2.350 2.940 1.00 . A W . 23 ASN O 1 1 8 5503 1 1 23 ASN OD1 O -12.756 -1.626 0.830 1.00 . A W . 23 ASN OD1 1 1 8 5504 1 1 24 ARG C C -9.932 -4.574 4.266 1.00 . A W . 24 ARG C 1 1 8 5505 1 1 24 ARG CA C -9.535 -4.824 2.806 1.00 . A W . 24 ARG CA 1 1 8 5506 1 1 24 ARG CB C -8.403 -5.852 2.766 1.00 . A W . 24 ARG CB 1 1 8 5507 1 1 24 ARG CD C -7.260 -7.730 1.534 1.00 . A W . 24 ARG CD 1 1 8 5508 1 1 24 ARG CG C -8.438 -6.765 1.553 1.00 . A W . 24 ARG CG 1 1 8 5509 1 1 24 ARG CZ C -6.338 -9.552 2.922 1.00 . A W . 24 ARG CZ 1 1 8 5510 1 1 24 ARG H H -8.389 -3.571 1.526 1.00 . A W . 24 ARG H 1 1 8 5511 1 1 24 ARG HA H -10.361 -5.236 2.282 1.00 . A W . 24 ARG HA 1 1 8 5512 1 1 24 ARG HB2 H -7.458 -5.329 2.767 1.00 . A W . 24 ARG HB2 1 1 8 5513 1 1 24 ARG HB3 H -8.463 -6.466 3.653 1.00 . A W . 24 ARG HB3 1 1 8 5514 1 1 24 ARG HD2 H -7.396 -8.423 0.716 1.00 . A W . 24 ARG HD2 1 1 8 5515 1 1 24 ARG HD3 H -6.350 -7.167 1.375 1.00 . A W . 24 ARG HD3 1 1 8 5516 1 1 24 ARG HE H -7.655 -8.181 3.551 1.00 . A W . 24 ARG HE 1 1 8 5517 1 1 24 ARG HG2 H -9.356 -7.333 1.571 1.00 . A W . 24 ARG HG2 1 1 8 5518 1 1 24 ARG HG3 H -8.409 -6.156 0.661 1.00 . A W . 24 ARG HG3 1 1 8 5519 1 1 24 ARG HH11 H -5.739 -9.580 0.974 1.00 . A W . 24 ARG HH11 1 1 8 5520 1 1 24 ARG HH12 H -5.053 -10.808 1.990 1.00 . A W . 24 ARG HH12 1 1 8 5521 1 1 24 ARG HH21 H -6.765 -9.820 4.886 1.00 . A W . 24 ARG HH21 1 1 8 5522 1 1 24 ARG HH22 H -5.628 -10.949 4.209 1.00 . A W . 24 ARG HH22 1 1 8 5523 1 1 24 ARG N N -9.187 -3.585 2.092 1.00 . A W . 24 ARG N 1 1 8 5524 1 1 24 ARG NE N -7.135 -8.490 2.779 1.00 . A W . 24 ARG NE 1 1 8 5525 1 1 24 ARG NH1 N -5.657 -10.020 1.884 1.00 . A W . 24 ARG NH1 1 1 8 5526 1 1 24 ARG NH2 N -6.239 -10.156 4.098 1.00 . A W . 24 ARG NH2 1 1 8 5527 1 1 24 ARG O O -11.114 -4.565 4.609 1.00 . A W . 24 ARG O 1 1 8 5528 1 1 25 THR C C -8.685 -2.626 6.782 1.00 . A W . 25 THR C 1 1 8 5529 1 1 25 THR CA C -9.162 -4.058 6.511 1.00 . A W . 25 THR CA 1 1 8 5530 1 1 25 THR CB C -8.436 -5.045 7.443 1.00 . A W . 25 THR CB 1 1 8 5531 1 1 25 THR CG2 C -6.948 -4.881 7.288 1.00 . A W . 25 THR CG2 1 1 8 5532 1 1 25 THR H H -8.022 -4.561 4.816 1.00 . A W . 25 THR H 1 1 8 5533 1 1 25 THR HA H -10.204 -4.124 6.708 1.00 . A W . 25 THR HA 1 1 8 5534 1 1 25 THR HB H -8.703 -6.055 7.160 1.00 . A W . 25 THR HB 1 1 8 5535 1 1 25 THR HG1 H -8.826 -3.879 9.000 1.00 . A W . 25 THR HG1 1 1 8 5536 1 1 25 THR HG21 H -6.434 -5.564 7.947 1.00 . A W . 25 THR HG21 1 1 8 5537 1 1 25 THR HG22 H -6.686 -3.868 7.533 1.00 . A W . 25 THR HG22 1 1 8 5538 1 1 25 THR HG23 H -6.680 -5.086 6.268 1.00 . A W . 25 THR HG23 1 1 8 5539 1 1 25 THR N N -8.935 -4.405 5.120 1.00 . A W . 25 THR N 1 1 8 5540 1 1 25 THR O O -8.386 -2.265 7.921 1.00 . A W . 25 THR O 1 1 8 5541 1 1 25 THR OG1 O -8.813 -4.832 8.812 1.00 . A W . 25 THR OG1 1 1 8 5542 1 1 26 LEU C C -6.616 -0.499 6.051 1.00 . A W . 26 LEU C 1 1 8 5543 1 1 26 LEU CA C -8.121 -0.458 5.752 1.00 . A W . 26 LEU CA 1 1 8 5544 1 1 26 LEU CB C -8.875 0.408 6.774 1.00 . A W . 26 LEU CB 1 1 8 5545 1 1 26 LEU CD1 C -7.543 2.549 6.619 1.00 . A W . 26 LEU CD1 1 1 8 5546 1 1 26 LEU CD2 C -9.478 2.167 5.084 1.00 . A W . 26 LEU CD2 1 1 8 5547 1 1 26 LEU CG C -8.918 1.914 6.477 1.00 . A W . 26 LEU CG 1 1 8 5548 1 1 26 LEU H H -9.057 -2.140 4.881 1.00 . A W . 26 LEU H 1 1 8 5549 1 1 26 LEU HA H -8.262 -0.032 4.770 1.00 . A W . 26 LEU HA 1 1 8 5550 1 1 26 LEU HB2 H -9.892 0.050 6.833 1.00 . A W . 26 LEU HB2 1 1 8 5551 1 1 26 LEU HB3 H -8.412 0.269 7.740 1.00 . A W . 26 LEU HB3 1 1 8 5552 1 1 26 LEU HD11 H -7.599 3.592 6.343 1.00 . A W . 26 LEU HD11 1 1 8 5553 1 1 26 LEU HD12 H -6.844 2.043 5.971 1.00 . A W . 26 LEU HD12 1 1 8 5554 1 1 26 LEU HD13 H -7.211 2.464 7.644 1.00 . A W . 26 LEU HD13 1 1 8 5555 1 1 26 LEU HD21 H -10.479 1.766 5.017 1.00 . A W . 26 LEU HD21 1 1 8 5556 1 1 26 LEU HD22 H -8.849 1.685 4.350 1.00 . A W . 26 LEU HD22 1 1 8 5557 1 1 26 LEU HD23 H -9.504 3.232 4.894 1.00 . A W . 26 LEU HD23 1 1 8 5558 1 1 26 LEU HG H -9.577 2.387 7.188 1.00 . A W . 26 LEU HG 1 1 8 5559 1 1 26 LEU N N -8.666 -1.816 5.718 1.00 . A W . 26 LEU N 1 1 8 5560 1 1 26 LEU O O -6.188 -0.406 7.202 1.00 . A W . 26 LEU O 1 1 8 5561 1 1 27 GLU C C -3.672 -0.080 3.990 1.00 . A W . 27 GLU C 1 1 8 5562 1 1 27 GLU CA C -4.381 -0.831 5.118 1.00 . A W . 27 GLU CA 1 1 8 5563 1 1 27 GLU CB C -4.036 -2.333 5.063 1.00 . A W . 27 GLU CB 1 1 8 5564 1 1 27 GLU CD C -1.957 -2.131 6.494 1.00 . A W . 27 GLU CD 1 1 8 5565 1 1 27 GLU CG C -2.557 -2.655 5.203 1.00 . A W . 27 GLU CG 1 1 8 5566 1 1 27 GLU H H -6.217 -0.594 4.093 1.00 . A W . 27 GLU H 1 1 8 5567 1 1 27 GLU HA H -4.070 -0.423 6.067 1.00 . A W . 27 GLU HA 1 1 8 5568 1 1 27 GLU HB2 H -4.568 -2.848 5.844 1.00 . A W . 27 GLU HB2 1 1 8 5569 1 1 27 GLU HB3 H -4.369 -2.722 4.111 1.00 . A W . 27 GLU HB3 1 1 8 5570 1 1 27 GLU HG2 H -2.434 -3.728 5.181 1.00 . A W . 27 GLU HG2 1 1 8 5571 1 1 27 GLU HG3 H -2.030 -2.212 4.364 1.00 . A W . 27 GLU HG3 1 1 8 5572 1 1 27 GLU N N -5.824 -0.647 4.993 1.00 . A W . 27 GLU N 1 1 8 5573 1 1 27 GLU O O -4.305 0.359 3.036 1.00 . A W . 27 GLU O 1 1 8 5574 1 1 27 GLU OE1 O -1.679 -0.915 6.576 1.00 . A W . 27 GLU OE1 1 1 8 5575 1 1 27 GLU OE2 O -1.765 -2.934 7.432 1.00 . A W . 27 GLU OE2 1 1 8 5576 1 1 28 SER C C -0.537 -0.422 2.579 1.00 . A W . 28 SER C 1 1 8 5577 1 1 28 SER CA C -1.551 0.637 3.060 1.00 . A W . 28 SER CA 1 1 8 5578 1 1 28 SER CB C -0.845 1.888 3.573 1.00 . A W . 28 SER CB 1 1 8 5579 1 1 28 SER H H -1.948 -0.132 4.991 1.00 . A W . 28 SER H 1 1 8 5580 1 1 28 SER HA H -2.202 0.901 2.232 1.00 . A W . 28 SER HA 1 1 8 5581 1 1 28 SER HB2 H -0.574 1.729 4.599 1.00 . A W . 28 SER HB2 1 1 8 5582 1 1 28 SER HB3 H 0.051 2.073 3.011 1.00 . A W . 28 SER HB3 1 1 8 5583 1 1 28 SER HG H -2.071 3.193 4.374 1.00 . A W . 28 SER HG 1 1 8 5584 1 1 28 SER N N -2.376 0.106 4.131 1.00 . A W . 28 SER N 1 1 8 5585 1 1 28 SER O O -0.139 -1.295 3.346 1.00 . A W . 28 SER O 1 1 8 5586 1 1 28 SER OG O -1.690 3.025 3.506 1.00 . A W . 28 SER OG 1 1 8 5587 1 1 29 THR C C 1.766 -0.487 -0.230 1.00 . A W . 29 THR C 1 1 8 5588 1 1 29 THR CA C 0.880 -1.246 0.749 1.00 . A W . 29 THR CA 1 1 8 5589 1 1 29 THR CB C 0.231 -2.396 -0.058 1.00 . A W . 29 THR CB 1 1 8 5590 1 1 29 THR CG2 C -0.589 -3.329 0.796 1.00 . A W . 29 THR CG2 1 1 8 5591 1 1 29 THR H H -0.523 0.349 0.731 1.00 . A W . 29 THR H 1 1 8 5592 1 1 29 THR HA H 1.480 -1.662 1.549 1.00 . A W . 29 THR HA 1 1 8 5593 1 1 29 THR HB H 1.018 -2.965 -0.533 1.00 . A W . 29 THR HB 1 1 8 5594 1 1 29 THR HG1 H -0.454 -0.916 -1.149 1.00 . A W . 29 THR HG1 1 1 8 5595 1 1 29 THR HG21 H 0.054 -3.852 1.483 1.00 . A W . 29 THR HG21 1 1 8 5596 1 1 29 THR HG22 H -1.086 -4.042 0.149 1.00 . A W . 29 THR HG22 1 1 8 5597 1 1 29 THR HG23 H -1.323 -2.758 1.339 1.00 . A W . 29 THR HG23 1 1 8 5598 1 1 29 THR N N -0.125 -0.334 1.315 1.00 . A W . 29 THR N 1 1 8 5599 1 1 29 THR O O 1.260 0.242 -1.052 1.00 . A W . 29 THR O 1 1 8 5600 1 1 29 THR OG1 O -0.619 -1.859 -1.062 1.00 . A W . 29 THR OG1 1 1 8 5601 1 1 30 TRP C C 3.802 -0.573 -2.509 1.00 . A W . 30 TRP C 1 1 8 5602 1 1 30 TRP CA C 3.966 -0.006 -1.109 1.00 . A W . 30 TRP CA 1 1 8 5603 1 1 30 TRP CB C 5.399 -0.153 -0.652 1.00 . A W . 30 TRP CB 1 1 8 5604 1 1 30 TRP CD1 C 5.498 0.405 1.821 1.00 . A W . 30 TRP CD1 1 1 8 5605 1 1 30 TRP CD2 C 6.218 2.015 0.501 1.00 . A W . 30 TRP CD2 1 1 8 5606 1 1 30 TRP CE2 C 6.388 2.419 1.837 1.00 . A W . 30 TRP CE2 1 1 8 5607 1 1 30 TRP CE3 C 6.573 2.873 -0.520 1.00 . A W . 30 TRP CE3 1 1 8 5608 1 1 30 TRP CG C 5.708 0.701 0.524 1.00 . A W . 30 TRP CG 1 1 8 5609 1 1 30 TRP CH2 C 7.235 4.485 1.162 1.00 . A W . 30 TRP CH2 1 1 8 5610 1 1 30 TRP CZ2 C 6.902 3.650 2.178 1.00 . A W . 30 TRP CZ2 1 1 8 5611 1 1 30 TRP CZ3 C 7.071 4.113 -0.188 1.00 . A W . 30 TRP CZ3 1 1 8 5612 1 1 30 TRP H H 3.440 -1.277 0.504 1.00 . A W . 30 TRP H 1 1 8 5613 1 1 30 TRP HA H 3.725 1.055 -1.131 1.00 . A W . 30 TRP HA 1 1 8 5614 1 1 30 TRP HB2 H 5.583 -1.180 -0.377 1.00 . A W . 30 TRP HB2 1 1 8 5615 1 1 30 TRP HB3 H 6.063 0.127 -1.457 1.00 . A W . 30 TRP HB3 1 1 8 5616 1 1 30 TRP HD1 H 5.059 -0.484 2.148 1.00 . A W . 30 TRP HD1 1 1 8 5617 1 1 30 TRP HE1 H 5.952 1.394 3.609 1.00 . A W . 30 TRP HE1 1 1 8 5618 1 1 30 TRP HE3 H 6.427 2.588 -1.556 1.00 . A W . 30 TRP HE3 1 1 8 5619 1 1 30 TRP HH2 H 7.598 5.461 1.391 1.00 . A W . 30 TRP HH2 1 1 8 5620 1 1 30 TRP HZ2 H 7.033 3.952 3.205 1.00 . A W . 30 TRP HZ2 1 1 8 5621 1 1 30 TRP HZ3 H 7.337 4.809 -0.970 1.00 . A W . 30 TRP HZ3 1 1 8 5622 1 1 30 TRP N N 3.070 -0.676 -0.169 1.00 . A W . 30 TRP N 1 1 8 5623 1 1 30 TRP NE1 N 5.957 1.402 2.625 1.00 . A W . 30 TRP NE1 1 1 8 5624 1 1 30 TRP O O 3.349 0.115 -3.411 1.00 . A W . 30 TRP O 1 1 8 5625 1 1 31 GLU C C 2.892 -3.403 -4.110 1.00 . A W . 31 GLU C 1 1 8 5626 1 1 31 GLU CA C 4.070 -2.436 -4.009 1.00 . A W . 31 GLU CA 1 1 8 5627 1 1 31 GLU CB C 5.368 -3.144 -4.363 1.00 . A W . 31 GLU CB 1 1 8 5628 1 1 31 GLU CD C 7.029 -4.952 -3.807 1.00 . A W . 31 GLU CD 1 1 8 5629 1 1 31 GLU CG C 5.730 -4.277 -3.420 1.00 . A W . 31 GLU CG 1 1 8 5630 1 1 31 GLU H H 4.475 -2.360 -1.938 1.00 . A W . 31 GLU H 1 1 8 5631 1 1 31 GLU HA H 3.914 -1.639 -4.720 1.00 . A W . 31 GLU HA 1 1 8 5632 1 1 31 GLU HB2 H 5.270 -3.547 -5.352 1.00 . A W . 31 GLU HB2 1 1 8 5633 1 1 31 GLU HB3 H 6.173 -2.424 -4.355 1.00 . A W . 31 GLU HB3 1 1 8 5634 1 1 31 GLU HG2 H 5.837 -3.877 -2.422 1.00 . A W . 31 GLU HG2 1 1 8 5635 1 1 31 GLU HG3 H 4.930 -5.004 -3.437 1.00 . A W . 31 GLU HG3 1 1 8 5636 1 1 31 GLU N N 4.162 -1.828 -2.694 1.00 . A W . 31 GLU N 1 1 8 5637 1 1 31 GLU O O 2.111 -3.550 -3.170 1.00 . A W . 31 GLU O 1 1 8 5638 1 1 31 GLU OE1 O 6.998 -5.914 -4.601 1.00 . A W . 31 GLU OE1 1 1 8 5639 1 1 31 GLU OE2 O 8.096 -4.507 -3.330 1.00 . A W . 31 GLU OE2 1 1 8 5640 1 1 32 LYS C C 1.564 -6.138 -4.625 1.00 . A W . 32 LYS C 1 1 8 5641 1 1 32 LYS CA C 1.677 -4.946 -5.582 1.00 . A W . 32 LYS CA 1 1 8 5642 1 1 32 LYS CB C 1.827 -5.445 -7.025 1.00 . A W . 32 LYS CB 1 1 8 5643 1 1 32 LYS CD C 1.016 -6.991 -8.845 1.00 . A W . 32 LYS CD 1 1 8 5644 1 1 32 LYS CE C 0.669 -5.942 -9.887 1.00 . A W . 32 LYS CE 1 1 8 5645 1 1 32 LYS CG C 0.789 -6.480 -7.431 1.00 . A W . 32 LYS CG 1 1 8 5646 1 1 32 LYS H H 3.515 -3.974 -5.919 1.00 . A W . 32 LYS H 1 1 8 5647 1 1 32 LYS HA H 0.773 -4.357 -5.513 1.00 . A W . 32 LYS HA 1 1 8 5648 1 1 32 LYS HB2 H 1.742 -4.603 -7.695 1.00 . A W . 32 LYS HB2 1 1 8 5649 1 1 32 LYS HB3 H 2.805 -5.887 -7.139 1.00 . A W . 32 LYS HB3 1 1 8 5650 1 1 32 LYS HD2 H 2.055 -7.267 -8.958 1.00 . A W . 32 LYS HD2 1 1 8 5651 1 1 32 LYS HD3 H 0.394 -7.860 -9.000 1.00 . A W . 32 LYS HD3 1 1 8 5652 1 1 32 LYS HE2 H -0.388 -5.724 -9.824 1.00 . A W . 32 LYS HE2 1 1 8 5653 1 1 32 LYS HE3 H 1.235 -5.047 -9.681 1.00 . A W . 32 LYS HE3 1 1 8 5654 1 1 32 LYS HG2 H 0.844 -7.314 -6.749 1.00 . A W . 32 LYS HG2 1 1 8 5655 1 1 32 LYS HG3 H -0.193 -6.030 -7.374 1.00 . A W . 32 LYS HG3 1 1 8 5656 1 1 32 LYS HZ1 H 2.009 -6.375 -11.432 1.00 . A W . 32 LYS HZ1 1 1 8 5657 1 1 32 LYS HZ2 H 0.505 -5.798 -11.966 1.00 . A W . 32 LYS HZ2 1 1 8 5658 1 1 32 LYS HZ3 H 0.650 -7.390 -11.391 1.00 . A W . 32 LYS HZ3 1 1 8 5659 1 1 32 LYS N N 2.798 -4.070 -5.258 1.00 . A W . 32 LYS N 1 1 8 5660 1 1 32 LYS NZ N 0.980 -6.408 -11.263 1.00 . A W . 32 LYS NZ 1 1 8 5661 1 1 32 LYS O O 2.533 -6.859 -4.385 1.00 . A W . 32 LYS O 1 1 8 5662 1 1 33 PRO C C 0.050 -8.823 -4.104 1.00 . A W . 33 PRO C 1 1 8 5663 1 1 33 PRO CA C 0.016 -7.535 -3.275 1.00 . A W . 33 PRO CA 1 1 8 5664 1 1 33 PRO CB C -1.432 -7.248 -2.832 1.00 . A W . 33 PRO CB 1 1 8 5665 1 1 33 PRO CD C -0.755 -5.379 -4.104 1.00 . A W . 33 PRO CD 1 1 8 5666 1 1 33 PRO CG C -1.557 -5.770 -2.905 1.00 . A W . 33 PRO CG 1 1 8 5667 1 1 33 PRO HA H 0.653 -7.636 -2.410 1.00 . A W . 33 PRO HA 1 1 8 5668 1 1 33 PRO HB2 H -2.123 -7.730 -3.513 1.00 . A W . 33 PRO HB2 1 1 8 5669 1 1 33 PRO HB3 H -1.589 -7.610 -1.830 1.00 . A W . 33 PRO HB3 1 1 8 5670 1 1 33 PRO HD2 H -1.341 -5.491 -5.004 1.00 . A W . 33 PRO HD2 1 1 8 5671 1 1 33 PRO HD3 H -0.391 -4.368 -4.007 1.00 . A W . 33 PRO HD3 1 1 8 5672 1 1 33 PRO HG2 H -2.592 -5.490 -3.033 1.00 . A W . 33 PRO HG2 1 1 8 5673 1 1 33 PRO HG3 H -1.149 -5.316 -2.015 1.00 . A W . 33 PRO HG3 1 1 8 5674 1 1 33 PRO N N 0.357 -6.344 -4.070 1.00 . A W . 33 PRO N 1 1 8 5675 1 1 33 PRO O O -0.162 -8.799 -5.318 1.00 . A W . 33 PRO O 1 1 8 5676 1 1 34 GLN C C -0.965 -11.641 -4.714 1.00 . A W . 34 GLN C 1 1 8 5677 1 1 34 GLN CA C 0.374 -11.252 -4.086 1.00 . A W . 34 GLN CA 1 1 8 5678 1 1 34 GLN CB C 0.790 -12.325 -3.074 1.00 . A W . 34 GLN CB 1 1 8 5679 1 1 34 GLN CD C 2.489 -13.079 -1.364 1.00 . A W . 34 GLN CD 1 1 8 5680 1 1 34 GLN CG C 2.200 -12.156 -2.531 1.00 . A W . 34 GLN CG 1 1 8 5681 1 1 34 GLN H H 0.423 -9.893 -2.457 1.00 . A W . 34 GLN H 1 1 8 5682 1 1 34 GLN HA H 1.118 -11.192 -4.863 1.00 . A W . 34 GLN HA 1 1 8 5683 1 1 34 GLN HB2 H 0.104 -12.297 -2.244 1.00 . A W . 34 GLN HB2 1 1 8 5684 1 1 34 GLN HB3 H 0.727 -13.296 -3.546 1.00 . A W . 34 GLN HB3 1 1 8 5685 1 1 34 GLN HE21 H 3.044 -14.516 -2.618 1.00 . A W . 34 GLN HE21 1 1 8 5686 1 1 34 GLN HE22 H 3.136 -14.903 -0.934 1.00 . A W . 34 GLN HE22 1 1 8 5687 1 1 34 GLN HG2 H 2.903 -12.377 -3.321 1.00 . A W . 34 GLN HG2 1 1 8 5688 1 1 34 GLN HG3 H 2.335 -11.135 -2.204 1.00 . A W . 34 GLN HG3 1 1 8 5689 1 1 34 GLN N N 0.293 -9.945 -3.429 1.00 . A W . 34 GLN N 1 1 8 5690 1 1 34 GLN NE2 N 2.935 -14.287 -1.667 1.00 . A W . 34 GLN NE2 1 1 8 5691 1 1 34 GLN O O -1.016 -12.331 -5.732 1.00 . A W . 34 GLN O 1 1 8 5692 1 1 34 GLN OE1 O 2.286 -12.718 -0.204 1.00 . A W . 34 GLN OE1 1 1 8 5693 1 1 35 GLU C C -3.847 -10.519 -5.643 1.00 . A W . 35 GLU C 1 1 8 5694 1 1 35 GLU CA C -3.389 -11.495 -4.562 1.00 . A W . 35 GLU CA 1 1 8 5695 1 1 35 GLU CB C -4.347 -11.470 -3.373 1.00 . A W . 35 GLU CB 1 1 8 5696 1 1 35 GLU CD C -4.746 -10.408 -1.120 1.00 . A W . 35 GLU CD 1 1 8 5697 1 1 35 GLU CG C -4.201 -10.222 -2.520 1.00 . A W . 35 GLU CG 1 1 8 5698 1 1 35 GLU H H -1.932 -10.621 -3.305 1.00 . A W . 35 GLU H 1 1 8 5699 1 1 35 GLU HA H -3.373 -12.491 -4.977 1.00 . A W . 35 GLU HA 1 1 8 5700 1 1 35 GLU HB2 H -5.363 -11.515 -3.741 1.00 . A W . 35 GLU HB2 1 1 8 5701 1 1 35 GLU HB3 H -4.159 -12.332 -2.752 1.00 . A W . 35 GLU HB3 1 1 8 5702 1 1 35 GLU HG2 H -3.155 -9.963 -2.454 1.00 . A W . 35 GLU HG2 1 1 8 5703 1 1 35 GLU HG3 H -4.742 -9.415 -2.996 1.00 . A W . 35 GLU HG3 1 1 8 5704 1 1 35 GLU N N -2.043 -11.184 -4.100 1.00 . A W . 35 GLU N 1 1 8 5705 1 1 35 GLU O O -5.002 -10.546 -6.074 1.00 . A W . 35 GLU O 1 1 8 5706 1 1 35 GLU OE1 O -4.302 -11.354 -0.432 1.00 . A W . 35 GLU OE1 1 1 8 5707 1 1 35 GLU OE2 O -5.595 -9.601 -0.694 1.00 . A W . 35 GLU OE2 1 1 8 5708 1 1 36 LEU C C -2.651 -9.149 -8.439 1.00 . A W . 36 LEU C 1 1 8 5709 1 1 36 LEU CA C -3.245 -8.691 -7.112 1.00 . A W . 36 LEU CA 1 1 8 5710 1 1 36 LEU CB C -2.685 -7.318 -6.727 1.00 . A W . 36 LEU CB 1 1 8 5711 1 1 36 LEU CD1 C -2.915 -4.824 -6.641 1.00 . A W . 36 LEU CD1 1 1 8 5712 1 1 36 LEU CD2 C -3.777 -6.071 -8.621 1.00 . A W . 36 LEU CD2 1 1 8 5713 1 1 36 LEU CG C -3.552 -6.119 -7.118 1.00 . A W . 36 LEU CG 1 1 8 5714 1 1 36 LEU H H -2.027 -9.711 -5.722 1.00 . A W . 36 LEU H 1 1 8 5715 1 1 36 LEU HA H -4.319 -8.630 -7.205 1.00 . A W . 36 LEU HA 1 1 8 5716 1 1 36 LEU HB2 H -2.542 -7.298 -5.655 1.00 . A W . 36 LEU HB2 1 1 8 5717 1 1 36 LEU HB3 H -1.723 -7.207 -7.202 1.00 . A W . 36 LEU HB3 1 1 8 5718 1 1 36 LEU HD11 H -1.889 -4.783 -6.977 1.00 . A W . 36 LEU HD11 1 1 8 5719 1 1 36 LEU HD12 H -2.945 -4.782 -5.557 1.00 . A W . 36 LEU HD12 1 1 8 5720 1 1 36 LEU HD13 H -3.462 -3.986 -7.045 1.00 . A W . 36 LEU HD13 1 1 8 5721 1 1 36 LEU HD21 H -4.224 -6.998 -8.947 1.00 . A W . 36 LEU HD21 1 1 8 5722 1 1 36 LEU HD22 H -2.829 -5.935 -9.119 1.00 . A W . 36 LEU HD22 1 1 8 5723 1 1 36 LEU HD23 H -4.435 -5.248 -8.865 1.00 . A W . 36 LEU HD23 1 1 8 5724 1 1 36 LEU HG H -4.513 -6.214 -6.632 1.00 . A W . 36 LEU HG 1 1 8 5725 1 1 36 LEU N N -2.938 -9.666 -6.084 1.00 . A W . 36 LEU N 1 1 8 5726 1 1 36 LEU O O -1.432 -9.180 -8.601 1.00 . A W . 36 LEU O 1 1 8 5727 1 1 37 LYS C C -2.953 -8.846 -11.676 1.00 . A W . 37 LYS C 1 1 8 5728 1 1 37 LYS CA C -3.070 -9.996 -10.673 1.00 . A W . 37 LYS CA 1 1 8 5729 1 1 37 LYS CB C -4.003 -11.113 -11.180 1.00 . A W . 37 LYS CB 1 1 8 5730 1 1 37 LYS CD C -6.314 -10.220 -11.768 1.00 . A W . 37 LYS CD 1 1 8 5731 1 1 37 LYS CE C -6.336 -8.725 -11.487 1.00 . A W . 37 LYS CE 1 1 8 5732 1 1 37 LYS CG C -5.473 -10.989 -10.757 1.00 . A W . 37 LYS CG 1 1 8 5733 1 1 37 LYS H H -4.470 -9.471 -9.179 1.00 . A W . 37 LYS H 1 1 8 5734 1 1 37 LYS HA H -2.083 -10.413 -10.533 1.00 . A W . 37 LYS HA 1 1 8 5735 1 1 37 LYS HB2 H -3.967 -11.124 -12.259 1.00 . A W . 37 LYS HB2 1 1 8 5736 1 1 37 LYS HB3 H -3.630 -12.058 -10.815 1.00 . A W . 37 LYS HB3 1 1 8 5737 1 1 37 LYS HD2 H -5.907 -10.380 -12.754 1.00 . A W . 37 LYS HD2 1 1 8 5738 1 1 37 LYS HD3 H -7.325 -10.595 -11.732 1.00 . A W . 37 LYS HD3 1 1 8 5739 1 1 37 LYS HE2 H -7.308 -8.459 -11.095 1.00 . A W . 37 LYS HE2 1 1 8 5740 1 1 37 LYS HE3 H -5.575 -8.492 -10.754 1.00 . A W . 37 LYS HE3 1 1 8 5741 1 1 37 LYS HG2 H -5.888 -11.981 -10.650 1.00 . A W . 37 LYS HG2 1 1 8 5742 1 1 37 LYS HG3 H -5.518 -10.479 -9.805 1.00 . A W . 37 LYS HG3 1 1 8 5743 1 1 37 LYS HZ1 H -5.109 -8.124 -13.054 1.00 . A W . 37 LYS HZ1 1 1 8 5744 1 1 37 LYS HZ2 H -6.188 -6.921 -12.532 1.00 . A W . 37 LYS HZ2 1 1 8 5745 1 1 37 LYS HZ3 H -6.752 -8.222 -13.470 1.00 . A W . 37 LYS HZ3 1 1 8 5746 1 1 37 LYS N N -3.515 -9.519 -9.372 1.00 . A W . 37 LYS N 1 1 8 5747 1 1 37 LYS NZ N -6.082 -7.942 -12.720 1.00 . A W . 37 LYS NZ 1 1 8 5748 1 1 37 LYS O O -3.642 -8.874 -12.716 1.00 . A W . 37 LYS O 1 1 8 5749 1 1 37 LYS OXT O -2.173 -7.910 -11.410 1.00 . A W . 37 LYS OXT 1 1 8 5750 2 2 1 PRO C C -2.627 13.853 0.570 1.00 . B P . 101 PRO C 1 1 8 5751 2 2 1 PRO CA C -2.421 15.361 0.567 1.00 . B P . 101 PRO CA 1 1 8 5752 2 2 1 PRO CB C -1.997 15.830 1.951 1.00 . B P . 101 PRO CB 1 1 8 5753 2 2 1 PRO CD C -3.796 17.177 1.137 1.00 . B P . 101 PRO CD 1 1 8 5754 2 2 1 PRO CG C -3.141 16.670 2.397 1.00 . B P . 101 PRO CG 1 1 8 5755 2 2 1 PRO H2 H -4.411 15.329 0.219 1.00 . B P . 101 PRO H2 1 1 8 5756 2 2 1 PRO H3 H -3.572 16.258 -0.829 1.00 . B P . 101 PRO H3 1 1 8 5757 2 2 1 PRO HA H -1.656 15.613 -0.150 1.00 . B P . 101 PRO HA 1 1 8 5758 2 2 1 PRO HB2 H -1.850 14.977 2.598 1.00 . B P . 101 PRO HB2 1 1 8 5759 2 2 1 PRO HB3 H -1.086 16.405 1.884 1.00 . B P . 101 PRO HB3 1 1 8 5760 2 2 1 PRO HD2 H -4.833 17.411 1.320 1.00 . B P . 101 PRO HD2 1 1 8 5761 2 2 1 PRO HD3 H -3.275 18.046 0.767 1.00 . B P . 101 PRO HD3 1 1 8 5762 2 2 1 PRO HG2 H -3.838 16.068 2.964 1.00 . B P . 101 PRO HG2 1 1 8 5763 2 2 1 PRO HG3 H -2.782 17.497 2.995 1.00 . B P . 101 PRO HG3 1 1 8 5764 2 2 1 PRO N N -3.673 16.055 0.194 1.00 . B P . 101 PRO N 1 1 8 5765 2 2 1 PRO O O -3.625 13.361 1.098 1.00 . B P . 101 PRO O 1 1 8 5766 2 2 2 PRO C C -1.166 11.121 1.330 1.00 . B P . 102 PRO C 1 1 8 5767 2 2 2 PRO CA C -1.718 11.636 0.002 1.00 . B P . 102 PRO CA 1 1 8 5768 2 2 2 PRO CB C -0.798 11.218 -1.157 1.00 . B P . 102 PRO CB 1 1 8 5769 2 2 2 PRO CD C -0.588 13.595 -0.846 1.00 . B P . 102 PRO CD 1 1 8 5770 2 2 2 PRO CG C -0.382 12.487 -1.839 1.00 . B P . 102 PRO CG 1 1 8 5771 2 2 2 PRO HA H -2.711 11.238 -0.154 1.00 . B P . 102 PRO HA 1 1 8 5772 2 2 2 PRO HB2 H 0.057 10.691 -0.761 1.00 . B P . 102 PRO HB2 1 1 8 5773 2 2 2 PRO HB3 H -1.342 10.572 -1.829 1.00 . B P . 102 PRO HB3 1 1 8 5774 2 2 2 PRO HD2 H 0.293 13.727 -0.237 1.00 . B P . 102 PRO HD2 1 1 8 5775 2 2 2 PRO HD3 H -0.847 14.515 -1.348 1.00 . B P . 102 PRO HD3 1 1 8 5776 2 2 2 PRO HG2 H 0.658 12.428 -2.120 1.00 . B P . 102 PRO HG2 1 1 8 5777 2 2 2 PRO HG3 H -0.996 12.650 -2.715 1.00 . B P . 102 PRO HG3 1 1 8 5778 2 2 2 PRO N N -1.708 13.098 -0.045 1.00 . B P . 102 PRO N 1 1 8 5779 2 2 2 PRO O O -0.298 11.758 1.930 1.00 . B P . 102 PRO O 1 1 8 5780 2 2 3 PRO C C 0.161 8.707 2.919 1.00 . B P . 103 PRO C 1 1 8 5781 2 2 3 PRO CA C -1.195 9.390 3.069 1.00 . B P . 103 PRO CA 1 1 8 5782 2 2 3 PRO CB C -2.282 8.340 3.397 1.00 . B P . 103 PRO CB 1 1 8 5783 2 2 3 PRO CD C -2.687 9.147 1.180 1.00 . B P . 103 PRO CD 1 1 8 5784 2 2 3 PRO CG C -3.352 8.516 2.366 1.00 . B P . 103 PRO CG 1 1 8 5785 2 2 3 PRO HA H -1.151 10.133 3.853 1.00 . B P . 103 PRO HA 1 1 8 5786 2 2 3 PRO HB2 H -1.857 7.346 3.345 1.00 . B P . 103 PRO HB2 1 1 8 5787 2 2 3 PRO HB3 H -2.665 8.519 4.392 1.00 . B P . 103 PRO HB3 1 1 8 5788 2 2 3 PRO HD2 H -2.257 8.392 0.538 1.00 . B P . 103 PRO HD2 1 1 8 5789 2 2 3 PRO HD3 H -3.387 9.761 0.633 1.00 . B P . 103 PRO HD3 1 1 8 5790 2 2 3 PRO HG2 H -3.757 7.554 2.094 1.00 . B P . 103 PRO HG2 1 1 8 5791 2 2 3 PRO HG3 H -4.131 9.160 2.749 1.00 . B P . 103 PRO HG3 1 1 8 5792 2 2 3 PRO N N -1.650 9.964 1.805 1.00 . B P . 103 PRO N 1 1 8 5793 2 2 3 PRO O O 0.501 8.204 1.845 1.00 . B P . 103 PRO O 1 1 8 5794 2 2 4 LEU C C 1.975 6.523 4.194 1.00 . B P . 104 LEU C 1 1 8 5795 2 2 4 LEU CA C 2.222 8.015 3.983 1.00 . B P . 104 LEU CA 1 1 8 5796 2 2 4 LEU CB C 3.127 8.561 5.090 1.00 . B P . 104 LEU CB 1 1 8 5797 2 2 4 LEU CD1 C 5.315 8.255 3.899 1.00 . B P . 104 LEU CD1 1 1 8 5798 2 2 4 LEU CD2 C 5.265 8.435 6.398 1.00 . B P . 104 LEU CD2 1 1 8 5799 2 2 4 LEU CG C 4.525 7.944 5.160 1.00 . B P . 104 LEU CG 1 1 8 5800 2 2 4 LEU H H 0.667 9.209 4.788 1.00 . B P . 104 LEU H 1 1 8 5801 2 2 4 LEU HA H 2.691 8.172 3.020 1.00 . B P . 104 LEU HA 1 1 8 5802 2 2 4 LEU HB2 H 3.232 9.626 4.945 1.00 . B P . 104 LEU HB2 1 1 8 5803 2 2 4 LEU HB3 H 2.638 8.394 6.036 1.00 . B P . 104 LEU HB3 1 1 8 5804 2 2 4 LEU HD11 H 6.318 7.865 3.996 1.00 . B P . 104 LEU HD11 1 1 8 5805 2 2 4 LEU HD12 H 5.356 9.324 3.755 1.00 . B P . 104 LEU HD12 1 1 8 5806 2 2 4 LEU HD13 H 4.829 7.797 3.050 1.00 . B P . 104 LEU HD13 1 1 8 5807 2 2 4 LEU HD21 H 5.400 9.504 6.338 1.00 . B P . 104 LEU HD21 1 1 8 5808 2 2 4 LEU HD22 H 6.228 7.954 6.458 1.00 . B P . 104 LEU HD22 1 1 8 5809 2 2 4 LEU HD23 H 4.688 8.195 7.281 1.00 . B P . 104 LEU HD23 1 1 8 5810 2 2 4 LEU HG H 4.430 6.871 5.232 1.00 . B P . 104 LEU HG 1 1 8 5811 2 2 4 LEU N N 0.951 8.722 3.986 1.00 . B P . 104 LEU N 1 1 8 5812 2 2 4 LEU O O 1.018 6.144 4.873 1.00 . B P . 104 LEU O 1 1 8 5813 2 2 5 ILE C C 3.312 3.877 5.212 1.00 . B P . 105 ILE C 1 1 8 5814 2 2 5 ILE CA C 2.721 4.247 3.850 1.00 . B P . 105 ILE CA 1 1 8 5815 2 2 5 ILE CB C 3.458 3.396 2.783 1.00 . B P . 105 ILE CB 1 1 8 5816 2 2 5 ILE CD1 C 4.112 5.127 1.039 1.00 . B P . 105 ILE CD1 1 1 8 5817 2 2 5 ILE CG1 C 3.291 3.889 1.361 1.00 . B P . 105 ILE CG1 1 1 8 5818 2 2 5 ILE CG2 C 2.943 1.967 2.826 1.00 . B P . 105 ILE CG2 1 1 8 5819 2 2 5 ILE H H 3.528 6.024 3.040 1.00 . B P . 105 ILE H 1 1 8 5820 2 2 5 ILE HA H 1.674 3.978 3.834 1.00 . B P . 105 ILE HA 1 1 8 5821 2 2 5 ILE HB H 4.526 3.391 3.019 1.00 . B P . 105 ILE HB 1 1 8 5822 2 2 5 ILE HD11 H 3.480 6.003 1.096 1.00 . B P . 105 ILE HD11 1 1 8 5823 2 2 5 ILE HD12 H 4.526 5.044 0.047 1.00 . B P . 105 ILE HD12 1 1 8 5824 2 2 5 ILE HD13 H 4.915 5.221 1.754 1.00 . B P . 105 ILE HD13 1 1 8 5825 2 2 5 ILE HG12 H 3.623 3.061 0.713 1.00 . B P . 105 ILE HG12 1 1 8 5826 2 2 5 ILE HG13 H 2.236 4.129 1.166 1.00 . B P . 105 ILE HG13 1 1 8 5827 2 2 5 ILE HG21 H 3.146 1.539 3.798 1.00 . B P . 105 ILE HG21 1 1 8 5828 2 2 5 ILE HG22 H 3.435 1.379 2.065 1.00 . B P . 105 ILE HG22 1 1 8 5829 2 2 5 ILE HG23 H 1.878 1.967 2.649 1.00 . B P . 105 ILE HG23 1 1 8 5830 2 2 5 ILE N N 2.824 5.679 3.622 1.00 . B P . 105 ILE N 1 1 8 5831 2 2 5 ILE O O 4.233 4.539 5.695 1.00 . B P . 105 ILE O 1 1 8 5832 2 2 6 PRO C C 4.506 1.172 6.332 1.00 . B P . 106 PRO C 1 1 8 5833 2 2 6 PRO CA C 3.457 2.116 6.925 1.00 . B P . 106 PRO CA 1 1 8 5834 2 2 6 PRO CB C 2.315 1.336 7.592 1.00 . B P . 106 PRO CB 1 1 8 5835 2 2 6 PRO CD C 1.440 2.277 5.582 1.00 . B P . 106 PRO CD 1 1 8 5836 2 2 6 PRO CG C 1.346 1.087 6.488 1.00 . B P . 106 PRO CG 1 1 8 5837 2 2 6 PRO HA H 3.923 2.791 7.632 1.00 . B P . 106 PRO HA 1 1 8 5838 2 2 6 PRO HB2 H 2.694 0.411 8.006 1.00 . B P . 106 PRO HB2 1 1 8 5839 2 2 6 PRO HB3 H 1.875 1.936 8.375 1.00 . B P . 106 PRO HB3 1 1 8 5840 2 2 6 PRO HD2 H 1.358 1.964 4.552 1.00 . B P . 106 PRO HD2 1 1 8 5841 2 2 6 PRO HD3 H 0.667 2.993 5.813 1.00 . B P . 106 PRO HD3 1 1 8 5842 2 2 6 PRO HG2 H 1.617 0.188 5.955 1.00 . B P . 106 PRO HG2 1 1 8 5843 2 2 6 PRO HG3 H 0.344 1.002 6.875 1.00 . B P . 106 PRO HG3 1 1 8 5844 2 2 6 PRO N N 2.776 2.831 5.850 1.00 . B P . 106 PRO N 1 1 8 5845 2 2 6 PRO O O 4.331 0.677 5.215 1.00 . B P . 106 PRO O 1 1 8 5846 2 2 7 PRO C C 6.174 -1.481 6.729 1.00 . B P . 107 PRO C 1 1 8 5847 2 2 7 PRO CA C 6.610 -0.029 6.518 1.00 . B P . 107 PRO CA 1 1 8 5848 2 2 7 PRO CB C 7.863 0.286 7.354 1.00 . B P . 107 PRO CB 1 1 8 5849 2 2 7 PRO CD C 6.018 1.497 8.301 1.00 . B P . 107 PRO CD 1 1 8 5850 2 2 7 PRO CG C 7.515 1.478 8.195 1.00 . B P . 107 PRO CG 1 1 8 5851 2 2 7 PRO HA H 6.817 0.138 5.472 1.00 . B P . 107 PRO HA 1 1 8 5852 2 2 7 PRO HB2 H 8.103 -0.568 7.971 1.00 . B P . 107 PRO HB2 1 1 8 5853 2 2 7 PRO HB3 H 8.691 0.499 6.695 1.00 . B P . 107 PRO HB3 1 1 8 5854 2 2 7 PRO HD2 H 5.689 0.893 9.135 1.00 . B P . 107 PRO HD2 1 1 8 5855 2 2 7 PRO HD3 H 5.655 2.510 8.393 1.00 . B P . 107 PRO HD3 1 1 8 5856 2 2 7 PRO HG2 H 7.957 1.377 9.175 1.00 . B P . 107 PRO HG2 1 1 8 5857 2 2 7 PRO HG3 H 7.869 2.383 7.715 1.00 . B P . 107 PRO HG3 1 1 8 5858 2 2 7 PRO N N 5.615 0.907 7.024 1.00 . B P . 107 PRO N 1 1 8 5859 2 2 7 PRO O O 5.487 -1.794 7.703 1.00 . B P . 107 PRO O 1 1 8 5860 2 2 8 PRO C C 7.081 -4.554 6.956 1.00 . B P . 108 PRO C 1 1 8 5861 2 2 8 PRO CA C 6.233 -3.810 5.927 1.00 . B P . 108 PRO CA 1 1 8 5862 2 2 8 PRO CB C 6.506 -4.335 4.522 1.00 . B P . 108 PRO CB 1 1 8 5863 2 2 8 PRO CD C 7.400 -2.104 4.632 1.00 . B P . 108 PRO CD 1 1 8 5864 2 2 8 PRO CG C 7.575 -3.451 3.978 1.00 . B P . 108 PRO CG 1 1 8 5865 2 2 8 PRO HA H 5.189 -3.943 6.163 1.00 . B P . 108 PRO HA 1 1 8 5866 2 2 8 PRO HB2 H 6.835 -5.363 4.578 1.00 . B P . 108 PRO HB2 1 1 8 5867 2 2 8 PRO HB3 H 5.608 -4.272 3.932 1.00 . B P . 108 PRO HB3 1 1 8 5868 2 2 8 PRO HD2 H 8.358 -1.691 4.913 1.00 . B P . 108 PRO HD2 1 1 8 5869 2 2 8 PRO HD3 H 6.881 -1.429 3.966 1.00 . B P . 108 PRO HD3 1 1 8 5870 2 2 8 PRO HG2 H 8.543 -3.860 4.219 1.00 . B P . 108 PRO HG2 1 1 8 5871 2 2 8 PRO HG3 H 7.463 -3.362 2.907 1.00 . B P . 108 PRO HG3 1 1 8 5872 2 2 8 PRO N N 6.582 -2.391 5.826 1.00 . B P . 108 PRO N 1 1 8 5873 2 2 8 PRO O O 8.239 -4.202 7.191 1.00 . B P . 108 PRO O 1 1 8 5874 2 2 9 PRO C C 8.136 -7.423 7.836 1.00 . B P . 109 PRO C 1 1 8 5875 2 2 9 PRO CA C 7.237 -6.416 8.538 1.00 . B P . 109 PRO CA 1 1 8 5876 2 2 9 PRO CB C 6.131 -7.116 9.320 1.00 . B P . 109 PRO CB 1 1 8 5877 2 2 9 PRO CD C 5.102 -6.002 7.446 1.00 . B P . 109 PRO CD 1 1 8 5878 2 2 9 PRO CG C 4.970 -7.176 8.386 1.00 . B P . 109 PRO CG 1 1 8 5879 2 2 9 PRO HA H 7.832 -5.817 9.213 1.00 . B P . 109 PRO HA 1 1 8 5880 2 2 9 PRO HB2 H 6.460 -8.103 9.608 1.00 . B P . 109 PRO HB2 1 1 8 5881 2 2 9 PRO HB3 H 5.893 -6.540 10.201 1.00 . B P . 109 PRO HB3 1 1 8 5882 2 2 9 PRO HD2 H 4.897 -6.307 6.432 1.00 . B P . 109 PRO HD2 1 1 8 5883 2 2 9 PRO HD3 H 4.433 -5.209 7.744 1.00 . B P . 109 PRO HD3 1 1 8 5884 2 2 9 PRO HG2 H 4.992 -8.103 7.833 1.00 . B P . 109 PRO HG2 1 1 8 5885 2 2 9 PRO HG3 H 4.051 -7.099 8.950 1.00 . B P . 109 PRO HG3 1 1 8 5886 2 2 9 PRO N N 6.510 -5.581 7.591 1.00 . B P . 109 PRO N 1 1 8 5887 2 2 9 PRO O O 9.356 -7.397 8.079 1.00 . B P . 109 PRO O 1 1 8 5888 2 2 9 PRO OXT O 7.619 -8.228 7.030 1.00 . B P . 109 PRO OXT 1 1 stop_ save_
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