PSF CMAP 9 !NTITLE REMARKS original generated structure x-plor psf file REMARKS 2 patches were applied to the molecule. REMARKS topology top_all27_prot_lipid.inp REMARKS topology /Projects/vmd/pub/linux/lib/vmd187a12/plugins/noarch/tcl/solvate1.2/wat.top REMARKS segment U { first NTER; last CTER; auto angles dihedrals } REMARKS segment WT1 { first NONE; last NONE; auto none } REMARKS segment WT2 { first NONE; last NONE; auto none } REMARKS defaultpatch NTER U:1 REMARKS defaultpatch CTER U:76 6682 !NATOM 1 U 1 MET N NH3 -0.300000 14.0070 0 2 U 1 MET HT1 HC 0.330000 1.0080 0 3 U 1 MET HT2 HC 0.330000 1.0080 0 4 U 1 MET HT3 HC 0.330000 1.0080 0 5 U 1 MET CA CT1 0.210000 12.0110 0 6 U 1 MET HA HB 0.100000 1.0080 0 7 U 1 MET CB CT2 -0.180000 12.0110 0 8 U 1 MET HB1 HA 0.090000 1.0080 0 9 U 1 MET HB2 HA 0.090000 1.0080 0 10 U 1 MET CG CT2 -0.140000 12.0110 0 11 U 1 MET HG1 HA 0.090000 1.0080 0 12 U 1 MET HG2 HA 0.090000 1.0080 0 13 U 1 MET SD S -0.090000 32.0600 0 14 U 1 MET CE CT3 -0.220000 12.0110 0 15 U 1 MET HE1 HA 0.090000 1.0080 0 16 U 1 MET HE2 HA 0.090000 1.0080 0 17 U 1 MET HE3 HA 0.090000 1.0080 0 18 U 1 MET C C 0.510000 12.0110 0 19 U 1 MET O O -0.510000 15.9990 0 20 U 2 GLN N NH1 -0.470000 14.0070 0 21 U 2 GLN HN H 0.310000 1.0080 0 22 U 2 GLN CA CT1 0.070000 12.0110 0 23 U 2 GLN HA HB 0.090000 1.0080 0 24 U 2 GLN CB CT2 -0.180000 12.0110 0 25 U 2 GLN HB1 HA 0.090000 1.0080 0 26 U 2 GLN HB2 HA 0.090000 1.0080 0 27 U 2 GLN CG CT2 -0.180000 12.0110 0 28 U 2 GLN HG1 HA 0.090000 1.0080 0 29 U 2 GLN HG2 HA 0.090000 1.0080 0 30 U 2 GLN CD CC 0.550000 12.0110 0 31 U 2 GLN OE1 O -0.550000 15.9990 0 32 U 2 GLN NE2 NH2 -0.620000 14.0070 0 33 U 2 GLN HE21 H 0.320000 1.0080 0 34 U 2 GLN HE22 H 0.300000 1.0080 0 35 U 2 GLN C C 0.510000 12.0110 0 36 U 2 GLN O O -0.510000 15.9990 0 37 U 3 ILE N NH1 -0.470000 14.0070 0 38 U 3 ILE HN H 0.310000 1.0080 0 39 U 3 ILE CA CT1 0.070000 12.0110 0 40 U 3 ILE HA HB 0.090000 1.0080 0 41 U 3 ILE CB CT1 -0.090000 12.0110 0 42 U 3 ILE HB HA 0.090000 1.0080 0 43 U 3 ILE CG2 CT3 -0.270000 12.0110 0 44 U 3 ILE HG21 HA 0.090000 1.0080 0 45 U 3 ILE HG22 HA 0.090000 1.0080 0 46 U 3 ILE HG23 HA 0.090000 1.0080 0 47 U 3 ILE CG1 CT2 -0.180000 12.0110 0 48 U 3 ILE HG11 HA 0.090000 1.0080 0 49 U 3 ILE HG12 HA 0.090000 1.0080 0 50 U 3 ILE CD CT3 -0.270000 12.0110 0 51 U 3 ILE HD1 HA 0.090000 1.0080 0 52 U 3 ILE HD2 HA 0.090000 1.0080 0 53 U 3 ILE HD3 HA 0.090000 1.0080 0 54 U 3 ILE C C 0.510000 12.0110 0 55 U 3 ILE O O -0.510000 15.9990 0 56 U 4 PHE N NH1 -0.470000 14.0070 0 57 U 4 PHE HN H 0.310000 1.0080 0 58 U 4 PHE CA CT1 0.070000 12.0110 0 59 U 4 PHE HA HB 0.090000 1.0080 0 60 U 4 PHE CB CT2 -0.180000 12.0110 0 61 U 4 PHE HB1 HA 0.090000 1.0080 0 62 U 4 PHE HB2 HA 0.090000 1.0080 0 63 U 4 PHE CG CA 0.000000 12.0110 0 64 U 4 PHE CD1 CA -0.115000 12.0110 0 65 U 4 PHE HD1 HP 0.115000 1.0080 0 66 U 4 PHE CE1 CA -0.115000 12.0110 0 67 U 4 PHE HE1 HP 0.115000 1.0080 0 68 U 4 PHE CZ CA -0.115000 12.0110 0 69 U 4 PHE HZ HP 0.115000 1.0080 0 70 U 4 PHE CD2 CA -0.115000 12.0110 0 71 U 4 PHE HD2 HP 0.115000 1.0080 0 72 U 4 PHE CE2 CA -0.115000 12.0110 0 73 U 4 PHE HE2 HP 0.115000 1.0080 0 74 U 4 PHE C C 0.510000 12.0110 0 75 U 4 PHE O O -0.510000 15.9990 0 76 U 5 VAL N NH1 -0.470000 14.0070 0 77 U 5 VAL HN H 0.310000 1.0080 0 78 U 5 VAL CA CT1 0.070000 12.0110 0 79 U 5 VAL HA HB 0.090000 1.0080 0 80 U 5 VAL CB CT1 -0.090000 12.0110 0 81 U 5 VAL HB HA 0.090000 1.0080 0 82 U 5 VAL CG1 CT3 -0.270000 12.0110 0 83 U 5 VAL HG11 HA 0.090000 1.0080 0 84 U 5 VAL HG12 HA 0.090000 1.0080 0 85 U 5 VAL HG13 HA 0.090000 1.0080 0 86 U 5 VAL CG2 CT3 -0.270000 12.0110 0 87 U 5 VAL HG21 HA 0.090000 1.0080 0 88 U 5 VAL HG22 HA 0.090000 1.0080 0 89 U 5 VAL HG23 HA 0.090000 1.0080 0 90 U 5 VAL C C 0.510000 12.0110 0 91 U 5 VAL O O -0.510000 15.9990 0 92 U 6 LYS N NH1 -0.470000 14.0070 0 93 U 6 LYS HN H 0.310000 1.0080 0 94 U 6 LYS CA CT1 0.070000 12.0110 0 95 U 6 LYS HA HB 0.090000 1.0080 0 96 U 6 LYS CB CT2 -0.180000 12.0110 0 97 U 6 LYS HB1 HA 0.090000 1.0080 0 98 U 6 LYS HB2 HA 0.090000 1.0080 0 99 U 6 LYS CG CT2 -0.180000 12.0110 0 100 U 6 LYS HG1 HA 0.090000 1.0080 0 101 U 6 LYS HG2 HA 0.090000 1.0080 0 102 U 6 LYS CD CT2 -0.180000 12.0110 0 103 U 6 LYS HD1 HA 0.090000 1.0080 0 104 U 6 LYS HD2 HA 0.090000 1.0080 0 105 U 6 LYS CE CT2 0.210000 12.0110 0 106 U 6 LYS HE1 HA 0.050000 1.0080 0 107 U 6 LYS HE2 HA 0.050000 1.0080 0 108 U 6 LYS NZ NH3 -0.300000 14.0070 0 109 U 6 LYS HZ1 HC 0.330000 1.0080 0 110 U 6 LYS HZ2 HC 0.330000 1.0080 0 111 U 6 LYS HZ3 HC 0.330000 1.0080 0 112 U 6 LYS C C 0.510000 12.0110 0 113 U 6 LYS O O -0.510000 15.9990 0 114 U 7 THR N NH1 -0.470000 14.0070 0 115 U 7 THR HN H 0.310000 1.0080 0 116 U 7 THR CA CT1 0.070000 12.0110 0 117 U 7 THR HA HB 0.090000 1.0080 0 118 U 7 THR CB CT1 0.140000 12.0110 0 119 U 7 THR HB HA 0.090000 1.0080 0 120 U 7 THR OG1 OH1 -0.660000 15.9990 0 121 U 7 THR HG1 H 0.430000 1.0080 0 122 U 7 THR CG2 CT3 -0.270000 12.0110 0 123 U 7 THR HG21 HA 0.090000 1.0080 0 124 U 7 THR HG22 HA 0.090000 1.0080 0 125 U 7 THR HG23 HA 0.090000 1.0080 0 126 U 7 THR C C 0.510000 12.0110 0 127 U 7 THR O O -0.510000 15.9990 0 128 U 8 LEU N NH1 -0.470000 14.0070 0 129 U 8 LEU HN H 0.310000 1.0080 0 130 U 8 LEU CA CT1 0.070000 12.0110 0 131 U 8 LEU HA HB 0.090000 1.0080 0 132 U 8 LEU CB CT2 -0.180000 12.0110 0 133 U 8 LEU HB1 HA 0.090000 1.0080 0 134 U 8 LEU HB2 HA 0.090000 1.0080 0 135 U 8 LEU CG CT1 -0.090000 12.0110 0 136 U 8 LEU HG HA 0.090000 1.0080 0 137 U 8 LEU CD1 CT3 -0.270000 12.0110 0 138 U 8 LEU HD11 HA 0.090000 1.0080 0 139 U 8 LEU HD12 HA 0.090000 1.0080 0 140 U 8 LEU HD13 HA 0.090000 1.0080 0 141 U 8 LEU CD2 CT3 -0.270000 12.0110 0 142 U 8 LEU HD21 HA 0.090000 1.0080 0 143 U 8 LEU HD22 HA 0.090000 1.0080 0 144 U 8 LEU HD23 HA 0.090000 1.0080 0 145 U 8 LEU C C 0.510000 12.0110 0 146 U 8 LEU O O -0.510000 15.9990 0 147 U 9 THR N NH1 -0.470000 14.0070 0 148 U 9 THR HN H 0.310000 1.0080 0 149 U 9 THR CA CT1 0.070000 12.0110 0 150 U 9 THR HA HB 0.090000 1.0080 0 151 U 9 THR CB CT1 0.140000 12.0110 0 152 U 9 THR HB HA 0.090000 1.0080 0 153 U 9 THR OG1 OH1 -0.660000 15.9990 0 154 U 9 THR HG1 H 0.430000 1.0080 0 155 U 9 THR CG2 CT3 -0.270000 12.0110 0 156 U 9 THR HG21 HA 0.090000 1.0080 0 157 U 9 THR HG22 HA 0.090000 1.0080 0 158 U 9 THR HG23 HA 0.090000 1.0080 0 159 U 9 THR C C 0.510000 12.0110 0 160 U 9 THR O O -0.510000 15.9990 0 161 U 10 GLY N NH1 -0.470000 14.0070 0 162 U 10 GLY HN H 0.310000 1.0080 0 163 U 10 GLY CA CT2 -0.020000 12.0110 0 164 U 10 GLY HA1 HB 0.090000 1.0080 0 165 U 10 GLY HA2 HB 0.090000 1.0080 0 166 U 10 GLY C C 0.510000 12.0110 0 167 U 10 GLY O O -0.510000 15.9990 0 168 U 11 LYS N NH1 -0.470000 14.0070 0 169 U 11 LYS HN H 0.310000 1.0080 0 170 U 11 LYS CA CT1 0.070000 12.0110 0 171 U 11 LYS HA HB 0.090000 1.0080 0 172 U 11 LYS CB CT2 -0.180000 12.0110 0 173 U 11 LYS HB1 HA 0.090000 1.0080 0 174 U 11 LYS HB2 HA 0.090000 1.0080 0 175 U 11 LYS CG CT2 -0.180000 12.0110 0 176 U 11 LYS HG1 HA 0.090000 1.0080 0 177 U 11 LYS HG2 HA 0.090000 1.0080 0 178 U 11 LYS CD CT2 -0.180000 12.0110 0 179 U 11 LYS HD1 HA 0.090000 1.0080 0 180 U 11 LYS HD2 HA 0.090000 1.0080 0 181 U 11 LYS CE CT2 0.210000 12.0110 0 182 U 11 LYS HE1 HA 0.050000 1.0080 0 183 U 11 LYS HE2 HA 0.050000 1.0080 0 184 U 11 LYS NZ NH3 -0.300000 14.0070 0 185 U 11 LYS HZ1 HC 0.330000 1.0080 0 186 U 11 LYS HZ2 HC 0.330000 1.0080 0 187 U 11 LYS HZ3 HC 0.330000 1.0080 0 188 U 11 LYS C C 0.510000 12.0110 0 189 U 11 LYS O O -0.510000 15.9990 0 190 U 12 THR N NH1 -0.470000 14.0070 0 191 U 12 THR HN H 0.310000 1.0080 0 192 U 12 THR CA CT1 0.070000 12.0110 0 193 U 12 THR HA HB 0.090000 1.0080 0 194 U 12 THR CB CT1 0.140000 12.0110 0 195 U 12 THR HB HA 0.090000 1.0080 0 196 U 12 THR OG1 OH1 -0.660000 15.9990 0 197 U 12 THR HG1 H 0.430000 1.0080 0 198 U 12 THR CG2 CT3 -0.270000 12.0110 0 199 U 12 THR HG21 HA 0.090000 1.0080 0 200 U 12 THR HG22 HA 0.090000 1.0080 0 201 U 12 THR HG23 HA 0.090000 1.0080 0 202 U 12 THR C C 0.510000 12.0110 0 203 U 12 THR O O -0.510000 15.9990 0 204 U 13 ILE N NH1 -0.470000 14.0070 0 205 U 13 ILE HN H 0.310000 1.0080 0 206 U 13 ILE CA CT1 0.070000 12.0110 0 207 U 13 ILE HA HB 0.090000 1.0080 0 208 U 13 ILE CB CT1 -0.090000 12.0110 0 209 U 13 ILE HB HA 0.090000 1.0080 0 210 U 13 ILE CG2 CT3 -0.270000 12.0110 0 211 U 13 ILE HG21 HA 0.090000 1.0080 0 212 U 13 ILE HG22 HA 0.090000 1.0080 0 213 U 13 ILE HG23 HA 0.090000 1.0080 0 214 U 13 ILE CG1 CT2 -0.180000 12.0110 0 215 U 13 ILE HG11 HA 0.090000 1.0080 0 216 U 13 ILE HG12 HA 0.090000 1.0080 0 217 U 13 ILE CD CT3 -0.270000 12.0110 0 218 U 13 ILE HD1 HA 0.090000 1.0080 0 219 U 13 ILE HD2 HA 0.090000 1.0080 0 220 U 13 ILE HD3 HA 0.090000 1.0080 0 221 U 13 ILE C C 0.510000 12.0110 0 222 U 13 ILE O O -0.510000 15.9990 0 223 U 14 THR N NH1 -0.470000 14.0070 0 224 U 14 THR HN H 0.310000 1.0080 0 225 U 14 THR CA CT1 0.070000 12.0110 0 226 U 14 THR HA HB 0.090000 1.0080 0 227 U 14 THR CB CT1 0.140000 12.0110 0 228 U 14 THR HB HA 0.090000 1.0080 0 229 U 14 THR OG1 OH1 -0.660000 15.9990 0 230 U 14 THR HG1 H 0.430000 1.0080 0 231 U 14 THR CG2 CT3 -0.270000 12.0110 0 232 U 14 THR HG21 HA 0.090000 1.0080 0 233 U 14 THR HG22 HA 0.090000 1.0080 0 234 U 14 THR HG23 HA 0.090000 1.0080 0 235 U 14 THR C C 0.510000 12.0110 0 236 U 14 THR O O -0.510000 15.9990 0 237 U 15 LEU N NH1 -0.470000 14.0070 0 238 U 15 LEU HN H 0.310000 1.0080 0 239 U 15 LEU CA CT1 0.070000 12.0110 0 240 U 15 LEU HA HB 0.090000 1.0080 0 241 U 15 LEU CB CT2 -0.180000 12.0110 0 242 U 15 LEU HB1 HA 0.090000 1.0080 0 243 U 15 LEU HB2 HA 0.090000 1.0080 0 244 U 15 LEU CG CT1 -0.090000 12.0110 0 245 U 15 LEU HG HA 0.090000 1.0080 0 246 U 15 LEU CD1 CT3 -0.270000 12.0110 0 247 U 15 LEU HD11 HA 0.090000 1.0080 0 248 U 15 LEU HD12 HA 0.090000 1.0080 0 249 U 15 LEU HD13 HA 0.090000 1.0080 0 250 U 15 LEU CD2 CT3 -0.270000 12.0110 0 251 U 15 LEU HD21 HA 0.090000 1.0080 0 252 U 15 LEU HD22 HA 0.090000 1.0080 0 253 U 15 LEU HD23 HA 0.090000 1.0080 0 254 U 15 LEU C C 0.510000 12.0110 0 255 U 15 LEU O O -0.510000 15.9990 0 256 U 16 GLU N NH1 -0.470000 14.0070 0 257 U 16 GLU HN H 0.310000 1.0080 0 258 U 16 GLU CA CT1 0.070000 12.0110 0 259 U 16 GLU HA HB 0.090000 1.0080 0 260 U 16 GLU CB CT2 -0.180000 12.0110 0 261 U 16 GLU HB1 HA 0.090000 1.0080 0 262 U 16 GLU HB2 HA 0.090000 1.0080 0 263 U 16 GLU CG CT2 -0.280000 12.0110 0 264 U 16 GLU HG1 HA 0.090000 1.0080 0 265 U 16 GLU HG2 HA 0.090000 1.0080 0 266 U 16 GLU CD CC 0.620000 12.0110 0 267 U 16 GLU OE1 OC -0.760000 15.9990 0 268 U 16 GLU OE2 OC -0.760000 15.9990 0 269 U 16 GLU C C 0.510000 12.0110 0 270 U 16 GLU O O -0.510000 15.9990 0 271 U 17 VAL N NH1 -0.470000 14.0070 0 272 U 17 VAL HN H 0.310000 1.0080 0 273 U 17 VAL CA CT1 0.070000 12.0110 0 274 U 17 VAL HA HB 0.090000 1.0080 0 275 U 17 VAL CB CT1 -0.090000 12.0110 0 276 U 17 VAL HB HA 0.090000 1.0080 0 277 U 17 VAL CG1 CT3 -0.270000 12.0110 0 278 U 17 VAL HG11 HA 0.090000 1.0080 0 279 U 17 VAL HG12 HA 0.090000 1.0080 0 280 U 17 VAL HG13 HA 0.090000 1.0080 0 281 U 17 VAL CG2 CT3 -0.270000 12.0110 0 282 U 17 VAL HG21 HA 0.090000 1.0080 0 283 U 17 VAL HG22 HA 0.090000 1.0080 0 284 U 17 VAL HG23 HA 0.090000 1.0080 0 285 U 17 VAL C C 0.510000 12.0110 0 286 U 17 VAL O O -0.510000 15.9990 0 287 U 18 GLU N NH1 -0.470000 14.0070 0 288 U 18 GLU HN H 0.310000 1.0080 0 289 U 18 GLU CA CT1 0.070000 12.0110 0 290 U 18 GLU HA HB 0.090000 1.0080 0 291 U 18 GLU CB CT2 -0.180000 12.0110 0 292 U 18 GLU HB1 HA 0.090000 1.0080 0 293 U 18 GLU HB2 HA 0.090000 1.0080 0 294 U 18 GLU CG CT2 -0.280000 12.0110 0 295 U 18 GLU HG1 HA 0.090000 1.0080 0 296 U 18 GLU HG2 HA 0.090000 1.0080 0 297 U 18 GLU CD CC 0.620000 12.0110 0 298 U 18 GLU OE1 OC -0.760000 15.9990 0 299 U 18 GLU OE2 OC -0.760000 15.9990 0 300 U 18 GLU C C 0.510000 12.0110 0 301 U 18 GLU O O -0.510000 15.9990 0 302 U 19 PRO N N -0.290000 14.0070 0 303 U 19 PRO CD CP3 0.000000 12.0110 0 304 U 19 PRO HD1 HA 0.090000 1.0080 0 305 U 19 PRO HD2 HA 0.090000 1.0080 0 306 U 19 PRO CA CP1 0.020000 12.0110 0 307 U 19 PRO HA HB 0.090000 1.0080 0 308 U 19 PRO CB CP2 -0.180000 12.0110 0 309 U 19 PRO HB1 HA 0.090000 1.0080 0 310 U 19 PRO HB2 HA 0.090000 1.0080 0 311 U 19 PRO CG CP2 -0.180000 12.0110 0 312 U 19 PRO HG1 HA 0.090000 1.0080 0 313 U 19 PRO HG2 HA 0.090000 1.0080 0 314 U 19 PRO C C 0.510000 12.0110 0 315 U 19 PRO O O -0.510000 15.9990 0 316 U 20 SER N NH1 -0.470000 14.0070 0 317 U 20 SER HN H 0.310000 1.0080 0 318 U 20 SER CA CT1 0.070000 12.0110 0 319 U 20 SER HA HB 0.090000 1.0080 0 320 U 20 SER CB CT2 0.050000 12.0110 0 321 U 20 SER HB1 HA 0.090000 1.0080 0 322 U 20 SER HB2 HA 0.090000 1.0080 0 323 U 20 SER OG OH1 -0.660000 15.9990 0 324 U 20 SER HG1 H 0.430000 1.0080 0 325 U 20 SER C C 0.510000 12.0110 0 326 U 20 SER O O -0.510000 15.9990 0 327 U 21 ASP N NH1 -0.470000 14.0070 0 328 U 21 ASP HN H 0.310000 1.0080 0 329 U 21 ASP CA CT1 0.070000 12.0110 0 330 U 21 ASP HA HB 0.090000 1.0080 0 331 U 21 ASP CB CT2 -0.280000 12.0110 0 332 U 21 ASP HB1 HA 0.090000 1.0080 0 333 U 21 ASP HB2 HA 0.090000 1.0080 0 334 U 21 ASP CG CC 0.620000 12.0110 0 335 U 21 ASP OD1 OC -0.760000 15.9990 0 336 U 21 ASP OD2 OC -0.760000 15.9990 0 337 U 21 ASP C C 0.510000 12.0110 0 338 U 21 ASP O O -0.510000 15.9990 0 339 U 22 THR N NH1 -0.470000 14.0070 0 340 U 22 THR HN H 0.310000 1.0080 0 341 U 22 THR CA CT1 0.070000 12.0110 0 342 U 22 THR HA HB 0.090000 1.0080 0 343 U 22 THR CB CT1 0.140000 12.0110 0 344 U 22 THR HB HA 0.090000 1.0080 0 345 U 22 THR OG1 OH1 -0.660000 15.9990 0 346 U 22 THR HG1 H 0.430000 1.0080 0 347 U 22 THR CG2 CT3 -0.270000 12.0110 0 348 U 22 THR HG21 HA 0.090000 1.0080 0 349 U 22 THR HG22 HA 0.090000 1.0080 0 350 U 22 THR HG23 HA 0.090000 1.0080 0 351 U 22 THR C C 0.510000 12.0110 0 352 U 22 THR O O -0.510000 15.9990 0 353 U 23 ILE N NH1 -0.470000 14.0070 0 354 U 23 ILE HN H 0.310000 1.0080 0 355 U 23 ILE CA CT1 0.070000 12.0110 0 356 U 23 ILE HA HB 0.090000 1.0080 0 357 U 23 ILE CB CT1 -0.090000 12.0110 0 358 U 23 ILE HB HA 0.090000 1.0080 0 359 U 23 ILE CG2 CT3 -0.270000 12.0110 0 360 U 23 ILE HG21 HA 0.090000 1.0080 0 361 U 23 ILE HG22 HA 0.090000 1.0080 0 362 U 23 ILE HG23 HA 0.090000 1.0080 0 363 U 23 ILE CG1 CT2 -0.180000 12.0110 0 364 U 23 ILE HG11 HA 0.090000 1.0080 0 365 U 23 ILE HG12 HA 0.090000 1.0080 0 366 U 23 ILE CD CT3 -0.270000 12.0110 0 367 U 23 ILE HD1 HA 0.090000 1.0080 0 368 U 23 ILE HD2 HA 0.090000 1.0080 0 369 U 23 ILE HD3 HA 0.090000 1.0080 0 370 U 23 ILE C C 0.510000 12.0110 0 371 U 23 ILE O O -0.510000 15.9990 0 372 U 24 GLU N NH1 -0.470000 14.0070 0 373 U 24 GLU HN H 0.310000 1.0080 0 374 U 24 GLU CA CT1 0.070000 12.0110 0 375 U 24 GLU HA HB 0.090000 1.0080 0 376 U 24 GLU CB CT2 -0.180000 12.0110 0 377 U 24 GLU HB1 HA 0.090000 1.0080 0 378 U 24 GLU HB2 HA 0.090000 1.0080 0 379 U 24 GLU CG CT2 -0.280000 12.0110 0 380 U 24 GLU HG1 HA 0.090000 1.0080 0 381 U 24 GLU HG2 HA 0.090000 1.0080 0 382 U 24 GLU CD CC 0.620000 12.0110 0 383 U 24 GLU OE1 OC -0.760000 15.9990 0 384 U 24 GLU OE2 OC -0.760000 15.9990 0 385 U 24 GLU C C 0.510000 12.0110 0 386 U 24 GLU O O -0.510000 15.9990 0 387 U 25 ASN N NH1 -0.470000 14.0070 0 388 U 25 ASN HN H 0.310000 1.0080 0 389 U 25 ASN CA CT1 0.070000 12.0110 0 390 U 25 ASN HA HB 0.090000 1.0080 0 391 U 25 ASN CB CT2 -0.180000 12.0110 0 392 U 25 ASN HB1 HA 0.090000 1.0080 0 393 U 25 ASN HB2 HA 0.090000 1.0080 0 394 U 25 ASN CG CC 0.550000 12.0110 0 395 U 25 ASN OD1 O -0.550000 15.9990 0 396 U 25 ASN ND2 NH2 -0.620000 14.0070 0 397 U 25 ASN HD21 H 0.320000 1.0080 0 398 U 25 ASN HD22 H 0.300000 1.0080 0 399 U 25 ASN C C 0.510000 12.0110 0 400 U 25 ASN O O -0.510000 15.9990 0 401 U 26 VAL N NH1 -0.470000 14.0070 0 402 U 26 VAL HN H 0.310000 1.0080 0 403 U 26 VAL CA CT1 0.070000 12.0110 0 404 U 26 VAL HA HB 0.090000 1.0080 0 405 U 26 VAL CB CT1 -0.090000 12.0110 0 406 U 26 VAL HB HA 0.090000 1.0080 0 407 U 26 VAL CG1 CT3 -0.270000 12.0110 0 408 U 26 VAL HG11 HA 0.090000 1.0080 0 409 U 26 VAL HG12 HA 0.090000 1.0080 0 410 U 26 VAL HG13 HA 0.090000 1.0080 0 411 U 26 VAL CG2 CT3 -0.270000 12.0110 0 412 U 26 VAL HG21 HA 0.090000 1.0080 0 413 U 26 VAL HG22 HA 0.090000 1.0080 0 414 U 26 VAL HG23 HA 0.090000 1.0080 0 415 U 26 VAL C C 0.510000 12.0110 0 416 U 26 VAL O O -0.510000 15.9990 0 417 U 27 LYS N NH1 -0.470000 14.0070 0 418 U 27 LYS HN H 0.310000 1.0080 0 419 U 27 LYS CA CT1 0.070000 12.0110 0 420 U 27 LYS HA HB 0.090000 1.0080 0 421 U 27 LYS CB CT2 -0.180000 12.0110 0 422 U 27 LYS HB1 HA 0.090000 1.0080 0 423 U 27 LYS HB2 HA 0.090000 1.0080 0 424 U 27 LYS CG CT2 -0.180000 12.0110 0 425 U 27 LYS HG1 HA 0.090000 1.0080 0 426 U 27 LYS HG2 HA 0.090000 1.0080 0 427 U 27 LYS CD CT2 -0.180000 12.0110 0 428 U 27 LYS HD1 HA 0.090000 1.0080 0 429 U 27 LYS HD2 HA 0.090000 1.0080 0 430 U 27 LYS CE CT2 0.210000 12.0110 0 431 U 27 LYS HE1 HA 0.050000 1.0080 0 432 U 27 LYS HE2 HA 0.050000 1.0080 0 433 U 27 LYS NZ NH3 -0.300000 14.0070 0 434 U 27 LYS HZ1 HC 0.330000 1.0080 0 435 U 27 LYS HZ2 HC 0.330000 1.0080 0 436 U 27 LYS HZ3 HC 0.330000 1.0080 0 437 U 27 LYS C C 0.510000 12.0110 0 438 U 27 LYS O O -0.510000 15.9990 0 439 U 28 ALA N NH1 -0.470000 14.0070 0 440 U 28 ALA HN H 0.310000 1.0080 0 441 U 28 ALA CA CT1 0.070000 12.0110 0 442 U 28 ALA HA HB 0.090000 1.0080 0 443 U 28 ALA CB CT3 -0.270000 12.0110 0 444 U 28 ALA HB1 HA 0.090000 1.0080 0 445 U 28 ALA HB2 HA 0.090000 1.0080 0 446 U 28 ALA HB3 HA 0.090000 1.0080 0 447 U 28 ALA C C 0.510000 12.0110 0 448 U 28 ALA O O -0.510000 15.9990 0 449 U 29 LYS N NH1 -0.470000 14.0070 0 450 U 29 LYS HN H 0.310000 1.0080 0 451 U 29 LYS CA CT1 0.070000 12.0110 0 452 U 29 LYS HA HB 0.090000 1.0080 0 453 U 29 LYS CB CT2 -0.180000 12.0110 0 454 U 29 LYS HB1 HA 0.090000 1.0080 0 455 U 29 LYS HB2 HA 0.090000 1.0080 0 456 U 29 LYS CG CT2 -0.180000 12.0110 0 457 U 29 LYS HG1 HA 0.090000 1.0080 0 458 U 29 LYS HG2 HA 0.090000 1.0080 0 459 U 29 LYS CD CT2 -0.180000 12.0110 0 460 U 29 LYS HD1 HA 0.090000 1.0080 0 461 U 29 LYS HD2 HA 0.090000 1.0080 0 462 U 29 LYS CE CT2 0.210000 12.0110 0 463 U 29 LYS HE1 HA 0.050000 1.0080 0 464 U 29 LYS HE2 HA 0.050000 1.0080 0 465 U 29 LYS NZ NH3 -0.300000 14.0070 0 466 U 29 LYS HZ1 HC 0.330000 1.0080 0 467 U 29 LYS HZ2 HC 0.330000 1.0080 0 468 U 29 LYS HZ3 HC 0.330000 1.0080 0 469 U 29 LYS C C 0.510000 12.0110 0 470 U 29 LYS O O -0.510000 15.9990 0 471 U 30 ILE N NH1 -0.470000 14.0070 0 472 U 30 ILE HN H 0.310000 1.0080 0 473 U 30 ILE CA CT1 0.070000 12.0110 0 474 U 30 ILE HA HB 0.090000 1.0080 0 475 U 30 ILE CB CT1 -0.090000 12.0110 0 476 U 30 ILE HB HA 0.090000 1.0080 0 477 U 30 ILE CG2 CT3 -0.270000 12.0110 0 478 U 30 ILE HG21 HA 0.090000 1.0080 0 479 U 30 ILE HG22 HA 0.090000 1.0080 0 480 U 30 ILE HG23 HA 0.090000 1.0080 0 481 U 30 ILE CG1 CT2 -0.180000 12.0110 0 482 U 30 ILE HG11 HA 0.090000 1.0080 0 483 U 30 ILE HG12 HA 0.090000 1.0080 0 484 U 30 ILE CD CT3 -0.270000 12.0110 0 485 U 30 ILE HD1 HA 0.090000 1.0080 0 486 U 30 ILE HD2 HA 0.090000 1.0080 0 487 U 30 ILE HD3 HA 0.090000 1.0080 0 488 U 30 ILE C C 0.510000 12.0110 0 489 U 30 ILE O O -0.510000 15.9990 0 490 U 31 GLN N NH1 -0.470000 14.0070 0 491 U 31 GLN HN H 0.310000 1.0080 0 492 U 31 GLN CA CT1 0.070000 12.0110 0 493 U 31 GLN HA HB 0.090000 1.0080 0 494 U 31 GLN CB CT2 -0.180000 12.0110 0 495 U 31 GLN HB1 HA 0.090000 1.0080 0 496 U 31 GLN HB2 HA 0.090000 1.0080 0 497 U 31 GLN CG CT2 -0.180000 12.0110 0 498 U 31 GLN HG1 HA 0.090000 1.0080 0 499 U 31 GLN HG2 HA 0.090000 1.0080 0 500 U 31 GLN CD CC 0.550000 12.0110 0 501 U 31 GLN OE1 O -0.550000 15.9990 0 502 U 31 GLN NE2 NH2 -0.620000 14.0070 0 503 U 31 GLN HE21 H 0.320000 1.0080 0 504 U 31 GLN HE22 H 0.300000 1.0080 0 505 U 31 GLN C C 0.510000 12.0110 0 506 U 31 GLN O O -0.510000 15.9990 0 507 U 32 ASP N NH1 -0.470000 14.0070 0 508 U 32 ASP HN H 0.310000 1.0080 0 509 U 32 ASP CA CT1 0.070000 12.0110 0 510 U 32 ASP HA HB 0.090000 1.0080 0 511 U 32 ASP CB CT2 -0.280000 12.0110 0 512 U 32 ASP HB1 HA 0.090000 1.0080 0 513 U 32 ASP HB2 HA 0.090000 1.0080 0 514 U 32 ASP CG CC 0.620000 12.0110 0 515 U 32 ASP OD1 OC -0.760000 15.9990 0 516 U 32 ASP OD2 OC -0.760000 15.9990 0 517 U 32 ASP C C 0.510000 12.0110 0 518 U 32 ASP O O -0.510000 15.9990 0 519 U 33 LYS N NH1 -0.470000 14.0070 0 520 U 33 LYS HN H 0.310000 1.0080 0 521 U 33 LYS CA CT1 0.070000 12.0110 0 522 U 33 LYS HA HB 0.090000 1.0080 0 523 U 33 LYS CB CT2 -0.180000 12.0110 0 524 U 33 LYS HB1 HA 0.090000 1.0080 0 525 U 33 LYS HB2 HA 0.090000 1.0080 0 526 U 33 LYS CG CT2 -0.180000 12.0110 0 527 U 33 LYS HG1 HA 0.090000 1.0080 0 528 U 33 LYS HG2 HA 0.090000 1.0080 0 529 U 33 LYS CD CT2 -0.180000 12.0110 0 530 U 33 LYS HD1 HA 0.090000 1.0080 0 531 U 33 LYS HD2 HA 0.090000 1.0080 0 532 U 33 LYS CE CT2 0.210000 12.0110 0 533 U 33 LYS HE1 HA 0.050000 1.0080 0 534 U 33 LYS HE2 HA 0.050000 1.0080 0 535 U 33 LYS NZ NH3 -0.300000 14.0070 0 536 U 33 LYS HZ1 HC 0.330000 1.0080 0 537 U 33 LYS HZ2 HC 0.330000 1.0080 0 538 U 33 LYS HZ3 HC 0.330000 1.0080 0 539 U 33 LYS C C 0.510000 12.0110 0 540 U 33 LYS O O -0.510000 15.9990 0 541 U 34 GLU N NH1 -0.470000 14.0070 0 542 U 34 GLU HN H 0.310000 1.0080 0 543 U 34 GLU CA CT1 0.070000 12.0110 0 544 U 34 GLU HA HB 0.090000 1.0080 0 545 U 34 GLU CB CT2 -0.180000 12.0110 0 546 U 34 GLU HB1 HA 0.090000 1.0080 0 547 U 34 GLU HB2 HA 0.090000 1.0080 0 548 U 34 GLU CG CT2 -0.280000 12.0110 0 549 U 34 GLU HG1 HA 0.090000 1.0080 0 550 U 34 GLU HG2 HA 0.090000 1.0080 0 551 U 34 GLU CD CC 0.620000 12.0110 0 552 U 34 GLU OE1 OC -0.760000 15.9990 0 553 U 34 GLU OE2 OC -0.760000 15.9990 0 554 U 34 GLU C C 0.510000 12.0110 0 555 U 34 GLU O O -0.510000 15.9990 0 556 U 35 GLY N NH1 -0.470000 14.0070 0 557 U 35 GLY HN H 0.310000 1.0080 0 558 U 35 GLY CA CT2 -0.020000 12.0110 0 559 U 35 GLY HA1 HB 0.090000 1.0080 0 560 U 35 GLY HA2 HB 0.090000 1.0080 0 561 U 35 GLY C C 0.510000 12.0110 0 562 U 35 GLY O O -0.510000 15.9990 0 563 U 36 ILE N NH1 -0.470000 14.0070 0 564 U 36 ILE HN H 0.310000 1.0080 0 565 U 36 ILE CA CT1 0.070000 12.0110 0 566 U 36 ILE HA HB 0.090000 1.0080 0 567 U 36 ILE CB CT1 -0.090000 12.0110 0 568 U 36 ILE HB HA 0.090000 1.0080 0 569 U 36 ILE CG2 CT3 -0.270000 12.0110 0 570 U 36 ILE HG21 HA 0.090000 1.0080 0 571 U 36 ILE HG22 HA 0.090000 1.0080 0 572 U 36 ILE HG23 HA 0.090000 1.0080 0 573 U 36 ILE CG1 CT2 -0.180000 12.0110 0 574 U 36 ILE HG11 HA 0.090000 1.0080 0 575 U 36 ILE HG12 HA 0.090000 1.0080 0 576 U 36 ILE CD CT3 -0.270000 12.0110 0 577 U 36 ILE HD1 HA 0.090000 1.0080 0 578 U 36 ILE HD2 HA 0.090000 1.0080 0 579 U 36 ILE HD3 HA 0.090000 1.0080 0 580 U 36 ILE C C 0.510000 12.0110 0 581 U 36 ILE O O -0.510000 15.9990 0 582 U 37 PRO N N -0.290000 14.0070 0 583 U 37 PRO CD CP3 0.000000 12.0110 0 584 U 37 PRO HD1 HA 0.090000 1.0080 0 585 U 37 PRO HD2 HA 0.090000 1.0080 0 586 U 37 PRO CA CP1 0.020000 12.0110 0 587 U 37 PRO HA HB 0.090000 1.0080 0 588 U 37 PRO CB CP2 -0.180000 12.0110 0 589 U 37 PRO HB1 HA 0.090000 1.0080 0 590 U 37 PRO HB2 HA 0.090000 1.0080 0 591 U 37 PRO CG CP2 -0.180000 12.0110 0 592 U 37 PRO HG1 HA 0.090000 1.0080 0 593 U 37 PRO HG2 HA 0.090000 1.0080 0 594 U 37 PRO C C 0.510000 12.0110 0 595 U 37 PRO O O -0.510000 15.9990 0 596 U 38 PRO N N -0.290000 14.0070 0 597 U 38 PRO CD CP3 0.000000 12.0110 0 598 U 38 PRO HD1 HA 0.090000 1.0080 0 599 U 38 PRO HD2 HA 0.090000 1.0080 0 600 U 38 PRO CA CP1 0.020000 12.0110 0 601 U 38 PRO HA HB 0.090000 1.0080 0 602 U 38 PRO CB CP2 -0.180000 12.0110 0 603 U 38 PRO HB1 HA 0.090000 1.0080 0 604 U 38 PRO HB2 HA 0.090000 1.0080 0 605 U 38 PRO CG CP2 -0.180000 12.0110 0 606 U 38 PRO HG1 HA 0.090000 1.0080 0 607 U 38 PRO HG2 HA 0.090000 1.0080 0 608 U 38 PRO C C 0.510000 12.0110 0 609 U 38 PRO O O -0.510000 15.9990 0 610 U 39 ASP N NH1 -0.470000 14.0070 0 611 U 39 ASP HN H 0.310000 1.0080 0 612 U 39 ASP CA CT1 0.070000 12.0110 0 613 U 39 ASP HA HB 0.090000 1.0080 0 614 U 39 ASP CB CT2 -0.280000 12.0110 0 615 U 39 ASP HB1 HA 0.090000 1.0080 0 616 U 39 ASP HB2 HA 0.090000 1.0080 0 617 U 39 ASP CG CC 0.620000 12.0110 0 618 U 39 ASP OD1 OC -0.760000 15.9990 0 619 U 39 ASP OD2 OC -0.760000 15.9990 0 620 U 39 ASP C C 0.510000 12.0110 0 621 U 39 ASP O O -0.510000 15.9990 0 622 U 40 GLN N NH1 -0.470000 14.0070 0 623 U 40 GLN HN H 0.310000 1.0080 0 624 U 40 GLN CA CT1 0.070000 12.0110 0 625 U 40 GLN HA HB 0.090000 1.0080 0 626 U 40 GLN CB CT2 -0.180000 12.0110 0 627 U 40 GLN HB1 HA 0.090000 1.0080 0 628 U 40 GLN HB2 HA 0.090000 1.0080 0 629 U 40 GLN CG CT2 -0.180000 12.0110 0 630 U 40 GLN HG1 HA 0.090000 1.0080 0 631 U 40 GLN HG2 HA 0.090000 1.0080 0 632 U 40 GLN CD CC 0.550000 12.0110 0 633 U 40 GLN OE1 O -0.550000 15.9990 0 634 U 40 GLN NE2 NH2 -0.620000 14.0070 0 635 U 40 GLN HE21 H 0.320000 1.0080 0 636 U 40 GLN HE22 H 0.300000 1.0080 0 637 U 40 GLN C C 0.510000 12.0110 0 638 U 40 GLN O O -0.510000 15.9990 0 639 U 41 GLN N NH1 -0.470000 14.0070 0 640 U 41 GLN HN H 0.310000 1.0080 0 641 U 41 GLN CA CT1 0.070000 12.0110 0 642 U 41 GLN HA HB 0.090000 1.0080 0 643 U 41 GLN CB CT2 -0.180000 12.0110 0 644 U 41 GLN HB1 HA 0.090000 1.0080 0 645 U 41 GLN HB2 HA 0.090000 1.0080 0 646 U 41 GLN CG CT2 -0.180000 12.0110 0 647 U 41 GLN HG1 HA 0.090000 1.0080 0 648 U 41 GLN HG2 HA 0.090000 1.0080 0 649 U 41 GLN CD CC 0.550000 12.0110 0 650 U 41 GLN OE1 O -0.550000 15.9990 0 651 U 41 GLN NE2 NH2 -0.620000 14.0070 0 652 U 41 GLN HE21 H 0.320000 1.0080 0 653 U 41 GLN HE22 H 0.300000 1.0080 0 654 U 41 GLN C C 0.510000 12.0110 0 655 U 41 GLN O O -0.510000 15.9990 0 656 U 42 ARG N NH1 -0.470000 14.0070 0 657 U 42 ARG HN H 0.310000 1.0080 0 658 U 42 ARG CA CT1 0.070000 12.0110 0 659 U 42 ARG HA HB 0.090000 1.0080 0 660 U 42 ARG CB CT2 -0.180000 12.0110 0 661 U 42 ARG HB1 HA 0.090000 1.0080 0 662 U 42 ARG HB2 HA 0.090000 1.0080 0 663 U 42 ARG CG CT2 -0.180000 12.0110 0 664 U 42 ARG HG1 HA 0.090000 1.0080 0 665 U 42 ARG HG2 HA 0.090000 1.0080 0 666 U 42 ARG CD CT2 0.200000 12.0110 0 667 U 42 ARG HD1 HA 0.090000 1.0080 0 668 U 42 ARG HD2 HA 0.090000 1.0080 0 669 U 42 ARG NE NC2 -0.700000 14.0070 0 670 U 42 ARG HE HC 0.440000 1.0080 0 671 U 42 ARG CZ C 0.640000 12.0110 0 672 U 42 ARG NH1 NC2 -0.800000 14.0070 0 673 U 42 ARG HH11 HC 0.460000 1.0080 0 674 U 42 ARG HH12 HC 0.460000 1.0080 0 675 U 42 ARG NH2 NC2 -0.800000 14.0070 0 676 U 42 ARG HH21 HC 0.460000 1.0080 0 677 U 42 ARG HH22 HC 0.460000 1.0080 0 678 U 42 ARG C C 0.510000 12.0110 0 679 U 42 ARG O O -0.510000 15.9990 0 680 U 43 LEU N NH1 -0.470000 14.0070 0 681 U 43 LEU HN H 0.310000 1.0080 0 682 U 43 LEU CA CT1 0.070000 12.0110 0 683 U 43 LEU HA HB 0.090000 1.0080 0 684 U 43 LEU CB CT2 -0.180000 12.0110 0 685 U 43 LEU HB1 HA 0.090000 1.0080 0 686 U 43 LEU HB2 HA 0.090000 1.0080 0 687 U 43 LEU CG CT1 -0.090000 12.0110 0 688 U 43 LEU HG HA 0.090000 1.0080 0 689 U 43 LEU CD1 CT3 -0.270000 12.0110 0 690 U 43 LEU HD11 HA 0.090000 1.0080 0 691 U 43 LEU HD12 HA 0.090000 1.0080 0 692 U 43 LEU HD13 HA 0.090000 1.0080 0 693 U 43 LEU CD2 CT3 -0.270000 12.0110 0 694 U 43 LEU HD21 HA 0.090000 1.0080 0 695 U 43 LEU HD22 HA 0.090000 1.0080 0 696 U 43 LEU HD23 HA 0.090000 1.0080 0 697 U 43 LEU C C 0.510000 12.0110 0 698 U 43 LEU O O -0.510000 15.9990 0 699 U 44 ILE N NH1 -0.470000 14.0070 0 700 U 44 ILE HN H 0.310000 1.0080 0 701 U 44 ILE CA CT1 0.070000 12.0110 0 702 U 44 ILE HA HB 0.090000 1.0080 0 703 U 44 ILE CB CT1 -0.090000 12.0110 0 704 U 44 ILE HB HA 0.090000 1.0080 0 705 U 44 ILE CG2 CT3 -0.270000 12.0110 0 706 U 44 ILE HG21 HA 0.090000 1.0080 0 707 U 44 ILE HG22 HA 0.090000 1.0080 0 708 U 44 ILE HG23 HA 0.090000 1.0080 0 709 U 44 ILE CG1 CT2 -0.180000 12.0110 0 710 U 44 ILE HG11 HA 0.090000 1.0080 0 711 U 44 ILE HG12 HA 0.090000 1.0080 0 712 U 44 ILE CD CT3 -0.270000 12.0110 0 713 U 44 ILE HD1 HA 0.090000 1.0080 0 714 U 44 ILE HD2 HA 0.090000 1.0080 0 715 U 44 ILE HD3 HA 0.090000 1.0080 0 716 U 44 ILE C C 0.510000 12.0110 0 717 U 44 ILE O O -0.510000 15.9990 0 718 U 45 PHE N NH1 -0.470000 14.0070 0 719 U 45 PHE HN H 0.310000 1.0080 0 720 U 45 PHE CA CT1 0.070000 12.0110 0 721 U 45 PHE HA HB 0.090000 1.0080 0 722 U 45 PHE CB CT2 -0.180000 12.0110 0 723 U 45 PHE HB1 HA 0.090000 1.0080 0 724 U 45 PHE HB2 HA 0.090000 1.0080 0 725 U 45 PHE CG CA 0.000000 12.0110 0 726 U 45 PHE CD1 CA -0.115000 12.0110 0 727 U 45 PHE HD1 HP 0.115000 1.0080 0 728 U 45 PHE CE1 CA -0.115000 12.0110 0 729 U 45 PHE HE1 HP 0.115000 1.0080 0 730 U 45 PHE CZ CA -0.115000 12.0110 0 731 U 45 PHE HZ HP 0.115000 1.0080 0 732 U 45 PHE CD2 CA -0.115000 12.0110 0 733 U 45 PHE HD2 HP 0.115000 1.0080 0 734 U 45 PHE CE2 CA -0.115000 12.0110 0 735 U 45 PHE HE2 HP 0.115000 1.0080 0 736 U 45 PHE C C 0.510000 12.0110 0 737 U 45 PHE O O -0.510000 15.9990 0 738 U 46 ALA N NH1 -0.470000 14.0070 0 739 U 46 ALA HN H 0.310000 1.0080 0 740 U 46 ALA CA CT1 0.070000 12.0110 0 741 U 46 ALA HA HB 0.090000 1.0080 0 742 U 46 ALA CB CT3 -0.270000 12.0110 0 743 U 46 ALA HB1 HA 0.090000 1.0080 0 744 U 46 ALA HB2 HA 0.090000 1.0080 0 745 U 46 ALA HB3 HA 0.090000 1.0080 0 746 U 46 ALA C C 0.510000 12.0110 0 747 U 46 ALA O O -0.510000 15.9990 0 748 U 47 GLY N NH1 -0.470000 14.0070 0 749 U 47 GLY HN H 0.310000 1.0080 0 750 U 47 GLY CA CT2 -0.020000 12.0110 0 751 U 47 GLY HA1 HB 0.090000 1.0080 0 752 U 47 GLY HA2 HB 0.090000 1.0080 0 753 U 47 GLY C C 0.510000 12.0110 0 754 U 47 GLY O O -0.510000 15.9990 0 755 U 48 LYS N NH1 -0.470000 14.0070 0 756 U 48 LYS HN H 0.310000 1.0080 0 757 U 48 LYS CA CT1 0.070000 12.0110 0 758 U 48 LYS HA HB 0.090000 1.0080 0 759 U 48 LYS CB CT2 -0.180000 12.0110 0 760 U 48 LYS HB1 HA 0.090000 1.0080 0 761 U 48 LYS HB2 HA 0.090000 1.0080 0 762 U 48 LYS CG CT2 -0.180000 12.0110 0 763 U 48 LYS HG1 HA 0.090000 1.0080 0 764 U 48 LYS HG2 HA 0.090000 1.0080 0 765 U 48 LYS CD CT2 -0.180000 12.0110 0 766 U 48 LYS HD1 HA 0.090000 1.0080 0 767 U 48 LYS HD2 HA 0.090000 1.0080 0 768 U 48 LYS CE CT2 0.210000 12.0110 0 769 U 48 LYS HE1 HA 0.050000 1.0080 0 770 U 48 LYS HE2 HA 0.050000 1.0080 0 771 U 48 LYS NZ NH3 -0.300000 14.0070 0 772 U 48 LYS HZ1 HC 0.330000 1.0080 0 773 U 48 LYS HZ2 HC 0.330000 1.0080 0 774 U 48 LYS HZ3 HC 0.330000 1.0080 0 775 U 48 LYS C C 0.510000 12.0110 0 776 U 48 LYS O O -0.510000 15.9990 0 777 U 49 GLN N NH1 -0.470000 14.0070 0 778 U 49 GLN HN H 0.310000 1.0080 0 779 U 49 GLN CA CT1 0.070000 12.0110 0 780 U 49 GLN HA HB 0.090000 1.0080 0 781 U 49 GLN CB CT2 -0.180000 12.0110 0 782 U 49 GLN HB1 HA 0.090000 1.0080 0 783 U 49 GLN HB2 HA 0.090000 1.0080 0 784 U 49 GLN CG CT2 -0.180000 12.0110 0 785 U 49 GLN HG1 HA 0.090000 1.0080 0 786 U 49 GLN HG2 HA 0.090000 1.0080 0 787 U 49 GLN CD CC 0.550000 12.0110 0 788 U 49 GLN OE1 O -0.550000 15.9990 0 789 U 49 GLN NE2 NH2 -0.620000 14.0070 0 790 U 49 GLN HE21 H 0.320000 1.0080 0 791 U 49 GLN HE22 H 0.300000 1.0080 0 792 U 49 GLN C C 0.510000 12.0110 0 793 U 49 GLN O O -0.510000 15.9990 0 794 U 50 LEU N NH1 -0.470000 14.0070 0 795 U 50 LEU HN H 0.310000 1.0080 0 796 U 50 LEU CA CT1 0.070000 12.0110 0 797 U 50 LEU HA HB 0.090000 1.0080 0 798 U 50 LEU CB CT2 -0.180000 12.0110 0 799 U 50 LEU HB1 HA 0.090000 1.0080 0 800 U 50 LEU HB2 HA 0.090000 1.0080 0 801 U 50 LEU CG CT1 -0.090000 12.0110 0 802 U 50 LEU HG HA 0.090000 1.0080 0 803 U 50 LEU CD1 CT3 -0.270000 12.0110 0 804 U 50 LEU HD11 HA 0.090000 1.0080 0 805 U 50 LEU HD12 HA 0.090000 1.0080 0 806 U 50 LEU HD13 HA 0.090000 1.0080 0 807 U 50 LEU CD2 CT3 -0.270000 12.0110 0 808 U 50 LEU HD21 HA 0.090000 1.0080 0 809 U 50 LEU HD22 HA 0.090000 1.0080 0 810 U 50 LEU HD23 HA 0.090000 1.0080 0 811 U 50 LEU C C 0.510000 12.0110 0 812 U 50 LEU O O -0.510000 15.9990 0 813 U 51 GLU N NH1 -0.470000 14.0070 0 814 U 51 GLU HN H 0.310000 1.0080 0 815 U 51 GLU CA CT1 0.070000 12.0110 0 816 U 51 GLU HA HB 0.090000 1.0080 0 817 U 51 GLU CB CT2 -0.180000 12.0110 0 818 U 51 GLU HB1 HA 0.090000 1.0080 0 819 U 51 GLU HB2 HA 0.090000 1.0080 0 820 U 51 GLU CG CT2 -0.280000 12.0110 0 821 U 51 GLU HG1 HA 0.090000 1.0080 0 822 U 51 GLU HG2 HA 0.090000 1.0080 0 823 U 51 GLU CD CC 0.620000 12.0110 0 824 U 51 GLU OE1 OC -0.760000 15.9990 0 825 U 51 GLU OE2 OC -0.760000 15.9990 0 826 U 51 GLU C C 0.510000 12.0110 0 827 U 51 GLU O O -0.510000 15.9990 0 828 U 52 ASP N NH1 -0.470000 14.0070 0 829 U 52 ASP HN H 0.310000 1.0080 0 830 U 52 ASP CA CT1 0.070000 12.0110 0 831 U 52 ASP HA HB 0.090000 1.0080 0 832 U 52 ASP CB CT2 -0.280000 12.0110 0 833 U 52 ASP HB1 HA 0.090000 1.0080 0 834 U 52 ASP HB2 HA 0.090000 1.0080 0 835 U 52 ASP CG CC 0.620000 12.0110 0 836 U 52 ASP OD1 OC -0.760000 15.9990 0 837 U 52 ASP OD2 OC -0.760000 15.9990 0 838 U 52 ASP C C 0.510000 12.0110 0 839 U 52 ASP O O -0.510000 15.9990 0 840 U 53 GLY N NH1 -0.470000 14.0070 0 841 U 53 GLY HN H 0.310000 1.0080 0 842 U 53 GLY CA CT2 -0.020000 12.0110 0 843 U 53 GLY HA1 HB 0.090000 1.0080 0 844 U 53 GLY HA2 HB 0.090000 1.0080 0 845 U 53 GLY C C 0.510000 12.0110 0 846 U 53 GLY O O -0.510000 15.9990 0 847 U 54 ARG N NH1 -0.470000 14.0070 0 848 U 54 ARG HN H 0.310000 1.0080 0 849 U 54 ARG CA CT1 0.070000 12.0110 0 850 U 54 ARG HA HB 0.090000 1.0080 0 851 U 54 ARG CB CT2 -0.180000 12.0110 0 852 U 54 ARG HB1 HA 0.090000 1.0080 0 853 U 54 ARG HB2 HA 0.090000 1.0080 0 854 U 54 ARG CG CT2 -0.180000 12.0110 0 855 U 54 ARG HG1 HA 0.090000 1.0080 0 856 U 54 ARG HG2 HA 0.090000 1.0080 0 857 U 54 ARG CD CT2 0.200000 12.0110 0 858 U 54 ARG HD1 HA 0.090000 1.0080 0 859 U 54 ARG HD2 HA 0.090000 1.0080 0 860 U 54 ARG NE NC2 -0.700000 14.0070 0 861 U 54 ARG HE HC 0.440000 1.0080 0 862 U 54 ARG CZ C 0.640000 12.0110 0 863 U 54 ARG NH1 NC2 -0.800000 14.0070 0 864 U 54 ARG HH11 HC 0.460000 1.0080 0 865 U 54 ARG HH12 HC 0.460000 1.0080 0 866 U 54 ARG NH2 NC2 -0.800000 14.0070 0 867 U 54 ARG HH21 HC 0.460000 1.0080 0 868 U 54 ARG HH22 HC 0.460000 1.0080 0 869 U 54 ARG C C 0.510000 12.0110 0 870 U 54 ARG O O -0.510000 15.9990 0 871 U 55 THR N NH1 -0.470000 14.0070 0 872 U 55 THR HN H 0.310000 1.0080 0 873 U 55 THR CA CT1 0.070000 12.0110 0 874 U 55 THR HA HB 0.090000 1.0080 0 875 U 55 THR CB CT1 0.140000 12.0110 0 876 U 55 THR HB HA 0.090000 1.0080 0 877 U 55 THR OG1 OH1 -0.660000 15.9990 0 878 U 55 THR HG1 H 0.430000 1.0080 0 879 U 55 THR CG2 CT3 -0.270000 12.0110 0 880 U 55 THR HG21 HA 0.090000 1.0080 0 881 U 55 THR HG22 HA 0.090000 1.0080 0 882 U 55 THR HG23 HA 0.090000 1.0080 0 883 U 55 THR C C 0.510000 12.0110 0 884 U 55 THR O O -0.510000 15.9990 0 885 U 56 LEU N NH1 -0.470000 14.0070 0 886 U 56 LEU HN H 0.310000 1.0080 0 887 U 56 LEU CA CT1 0.070000 12.0110 0 888 U 56 LEU HA HB 0.090000 1.0080 0 889 U 56 LEU CB CT2 -0.180000 12.0110 0 890 U 56 LEU HB1 HA 0.090000 1.0080 0 891 U 56 LEU HB2 HA 0.090000 1.0080 0 892 U 56 LEU CG CT1 -0.090000 12.0110 0 893 U 56 LEU HG HA 0.090000 1.0080 0 894 U 56 LEU CD1 CT3 -0.270000 12.0110 0 895 U 56 LEU HD11 HA 0.090000 1.0080 0 896 U 56 LEU HD12 HA 0.090000 1.0080 0 897 U 56 LEU HD13 HA 0.090000 1.0080 0 898 U 56 LEU CD2 CT3 -0.270000 12.0110 0 899 U 56 LEU HD21 HA 0.090000 1.0080 0 900 U 56 LEU HD22 HA 0.090000 1.0080 0 901 U 56 LEU HD23 HA 0.090000 1.0080 0 902 U 56 LEU C C 0.510000 12.0110 0 903 U 56 LEU O O -0.510000 15.9990 0 904 U 57 SER N NH1 -0.470000 14.0070 0 905 U 57 SER HN H 0.310000 1.0080 0 906 U 57 SER CA CT1 0.070000 12.0110 0 907 U 57 SER HA HB 0.090000 1.0080 0 908 U 57 SER CB CT2 0.050000 12.0110 0 909 U 57 SER HB1 HA 0.090000 1.0080 0 910 U 57 SER HB2 HA 0.090000 1.0080 0 911 U 57 SER OG OH1 -0.660000 15.9990 0 912 U 57 SER HG1 H 0.430000 1.0080 0 913 U 57 SER C C 0.510000 12.0110 0 914 U 57 SER O O -0.510000 15.9990 0 915 U 58 ASP N NH1 -0.470000 14.0070 0 916 U 58 ASP HN H 0.310000 1.0080 0 917 U 58 ASP CA CT1 0.070000 12.0110 0 918 U 58 ASP HA HB 0.090000 1.0080 0 919 U 58 ASP CB CT2 -0.280000 12.0110 0 920 U 58 ASP HB1 HA 0.090000 1.0080 0 921 U 58 ASP HB2 HA 0.090000 1.0080 0 922 U 58 ASP CG CC 0.620000 12.0110 0 923 U 58 ASP OD1 OC -0.760000 15.9990 0 924 U 58 ASP OD2 OC -0.760000 15.9990 0 925 U 58 ASP C C 0.510000 12.0110 0 926 U 58 ASP O O -0.510000 15.9990 0 927 U 59 TYR N NH1 -0.470000 14.0070 0 928 U 59 TYR HN H 0.310000 1.0080 0 929 U 59 TYR CA CT1 0.070000 12.0110 0 930 U 59 TYR HA HB 0.090000 1.0080 0 931 U 59 TYR CB CT2 -0.180000 12.0110 0 932 U 59 TYR HB1 HA 0.090000 1.0080 0 933 U 59 TYR HB2 HA 0.090000 1.0080 0 934 U 59 TYR CG CA 0.000000 12.0110 0 935 U 59 TYR CD1 CA -0.115000 12.0110 0 936 U 59 TYR HD1 HP 0.115000 1.0080 0 937 U 59 TYR CE1 CA -0.115000 12.0110 0 938 U 59 TYR HE1 HP 0.115000 1.0080 0 939 U 59 TYR CZ CA 0.110000 12.0110 0 940 U 59 TYR OH OH1 -0.540000 15.9990 0 941 U 59 TYR HH H 0.430000 1.0080 0 942 U 59 TYR CD2 CA -0.115000 12.0110 0 943 U 59 TYR HD2 HP 0.115000 1.0080 0 944 U 59 TYR CE2 CA -0.115000 12.0110 0 945 U 59 TYR HE2 HP 0.115000 1.0080 0 946 U 59 TYR C C 0.510000 12.0110 0 947 U 59 TYR O O -0.510000 15.9990 0 948 U 60 ASN N NH1 -0.470000 14.0070 0 949 U 60 ASN HN H 0.310000 1.0080 0 950 U 60 ASN CA CT1 0.070000 12.0110 0 951 U 60 ASN HA HB 0.090000 1.0080 0 952 U 60 ASN CB CT2 -0.180000 12.0110 0 953 U 60 ASN HB1 HA 0.090000 1.0080 0 954 U 60 ASN HB2 HA 0.090000 1.0080 0 955 U 60 ASN CG CC 0.550000 12.0110 0 956 U 60 ASN OD1 O -0.550000 15.9990 0 957 U 60 ASN ND2 NH2 -0.620000 14.0070 0 958 U 60 ASN HD21 H 0.320000 1.0080 0 959 U 60 ASN HD22 H 0.300000 1.0080 0 960 U 60 ASN C C 0.510000 12.0110 0 961 U 60 ASN O O -0.510000 15.9990 0 962 U 61 ILE N NH1 -0.470000 14.0070 0 963 U 61 ILE HN H 0.310000 1.0080 0 964 U 61 ILE CA CT1 0.070000 12.0110 0 965 U 61 ILE HA HB 0.090000 1.0080 0 966 U 61 ILE CB CT1 -0.090000 12.0110 0 967 U 61 ILE HB HA 0.090000 1.0080 0 968 U 61 ILE CG2 CT3 -0.270000 12.0110 0 969 U 61 ILE HG21 HA 0.090000 1.0080 0 970 U 61 ILE HG22 HA 0.090000 1.0080 0 971 U 61 ILE HG23 HA 0.090000 1.0080 0 972 U 61 ILE CG1 CT2 -0.180000 12.0110 0 973 U 61 ILE HG11 HA 0.090000 1.0080 0 974 U 61 ILE HG12 HA 0.090000 1.0080 0 975 U 61 ILE CD CT3 -0.270000 12.0110 0 976 U 61 ILE HD1 HA 0.090000 1.0080 0 977 U 61 ILE HD2 HA 0.090000 1.0080 0 978 U 61 ILE HD3 HA 0.090000 1.0080 0 979 U 61 ILE C C 0.510000 12.0110 0 980 U 61 ILE O O -0.510000 15.9990 0 981 U 62 GLN N NH1 -0.470000 14.0070 0 982 U 62 GLN HN H 0.310000 1.0080 0 983 U 62 GLN CA CT1 0.070000 12.0110 0 984 U 62 GLN HA HB 0.090000 1.0080 0 985 U 62 GLN CB CT2 -0.180000 12.0110 0 986 U 62 GLN HB1 HA 0.090000 1.0080 0 987 U 62 GLN HB2 HA 0.090000 1.0080 0 988 U 62 GLN CG CT2 -0.180000 12.0110 0 989 U 62 GLN HG1 HA 0.090000 1.0080 0 990 U 62 GLN HG2 HA 0.090000 1.0080 0 991 U 62 GLN CD CC 0.550000 12.0110 0 992 U 62 GLN OE1 O -0.550000 15.9990 0 993 U 62 GLN NE2 NH2 -0.620000 14.0070 0 994 U 62 GLN HE21 H 0.320000 1.0080 0 995 U 62 GLN HE22 H 0.300000 1.0080 0 996 U 62 GLN C C 0.510000 12.0110 0 997 U 62 GLN O O -0.510000 15.9990 0 998 U 63 LYS N NH1 -0.470000 14.0070 0 999 U 63 LYS HN H 0.310000 1.0080 0 1000 U 63 LYS CA CT1 0.070000 12.0110 0 1001 U 63 LYS HA HB 0.090000 1.0080 0 1002 U 63 LYS CB CT2 -0.180000 12.0110 0 1003 U 63 LYS HB1 HA 0.090000 1.0080 0 1004 U 63 LYS HB2 HA 0.090000 1.0080 0 1005 U 63 LYS CG CT2 -0.180000 12.0110 0 1006 U 63 LYS HG1 HA 0.090000 1.0080 0 1007 U 63 LYS HG2 HA 0.090000 1.0080 0 1008 U 63 LYS CD CT2 -0.180000 12.0110 0 1009 U 63 LYS HD1 HA 0.090000 1.0080 0 1010 U 63 LYS HD2 HA 0.090000 1.0080 0 1011 U 63 LYS CE CT2 0.210000 12.0110 0 1012 U 63 LYS HE1 HA 0.050000 1.0080 0 1013 U 63 LYS HE2 HA 0.050000 1.0080 0 1014 U 63 LYS NZ NH3 -0.300000 14.0070 0 1015 U 63 LYS HZ1 HC 0.330000 1.0080 0 1016 U 63 LYS HZ2 HC 0.330000 1.0080 0 1017 U 63 LYS HZ3 HC 0.330000 1.0080 0 1018 U 63 LYS C C 0.510000 12.0110 0 1019 U 63 LYS O O -0.510000 15.9990 0 1020 U 64 GLU N NH1 -0.470000 14.0070 0 1021 U 64 GLU HN H 0.310000 1.0080 0 1022 U 64 GLU CA CT1 0.070000 12.0110 0 1023 U 64 GLU HA HB 0.090000 1.0080 0 1024 U 64 GLU CB CT2 -0.180000 12.0110 0 1025 U 64 GLU HB1 HA 0.090000 1.0080 0 1026 U 64 GLU HB2 HA 0.090000 1.0080 0 1027 U 64 GLU CG CT2 -0.280000 12.0110 0 1028 U 64 GLU HG1 HA 0.090000 1.0080 0 1029 U 64 GLU HG2 HA 0.090000 1.0080 0 1030 U 64 GLU CD CC 0.620000 12.0110 0 1031 U 64 GLU OE1 OC -0.760000 15.9990 0 1032 U 64 GLU OE2 OC -0.760000 15.9990 0 1033 U 64 GLU C C 0.510000 12.0110 0 1034 U 64 GLU O O -0.510000 15.9990 0 1035 U 65 SER N NH1 -0.470000 14.0070 0 1036 U 65 SER HN H 0.310000 1.0080 0 1037 U 65 SER CA CT1 0.070000 12.0110 0 1038 U 65 SER HA HB 0.090000 1.0080 0 1039 U 65 SER CB CT2 0.050000 12.0110 0 1040 U 65 SER HB1 HA 0.090000 1.0080 0 1041 U 65 SER HB2 HA 0.090000 1.0080 0 1042 U 65 SER OG OH1 -0.660000 15.9990 0 1043 U 65 SER HG1 H 0.430000 1.0080 0 1044 U 65 SER C C 0.510000 12.0110 0 1045 U 65 SER O O -0.510000 15.9990 0 1046 U 66 THR N NH1 -0.470000 14.0070 0 1047 U 66 THR HN H 0.310000 1.0080 0 1048 U 66 THR CA CT1 0.070000 12.0110 0 1049 U 66 THR HA HB 0.090000 1.0080 0 1050 U 66 THR CB CT1 0.140000 12.0110 0 1051 U 66 THR HB HA 0.090000 1.0080 0 1052 U 66 THR OG1 OH1 -0.660000 15.9990 0 1053 U 66 THR HG1 H 0.430000 1.0080 0 1054 U 66 THR CG2 CT3 -0.270000 12.0110 0 1055 U 66 THR HG21 HA 0.090000 1.0080 0 1056 U 66 THR HG22 HA 0.090000 1.0080 0 1057 U 66 THR HG23 HA 0.090000 1.0080 0 1058 U 66 THR C C 0.510000 12.0110 0 1059 U 66 THR O O -0.510000 15.9990 0 1060 U 67 LEU N NH1 -0.470000 14.0070 0 1061 U 67 LEU HN H 0.310000 1.0080 0 1062 U 67 LEU CA CT1 0.070000 12.0110 0 1063 U 67 LEU HA HB 0.090000 1.0080 0 1064 U 67 LEU CB CT2 -0.180000 12.0110 0 1065 U 67 LEU HB1 HA 0.090000 1.0080 0 1066 U 67 LEU HB2 HA 0.090000 1.0080 0 1067 U 67 LEU CG CT1 -0.090000 12.0110 0 1068 U 67 LEU HG HA 0.090000 1.0080 0 1069 U 67 LEU CD1 CT3 -0.270000 12.0110 0 1070 U 67 LEU HD11 HA 0.090000 1.0080 0 1071 U 67 LEU HD12 HA 0.090000 1.0080 0 1072 U 67 LEU HD13 HA 0.090000 1.0080 0 1073 U 67 LEU CD2 CT3 -0.270000 12.0110 0 1074 U 67 LEU HD21 HA 0.090000 1.0080 0 1075 U 67 LEU HD22 HA 0.090000 1.0080 0 1076 U 67 LEU HD23 HA 0.090000 1.0080 0 1077 U 67 LEU C C 0.510000 12.0110 0 1078 U 67 LEU O O -0.510000 15.9990 0 1079 U 68 HSE N NH1 -0.470000 14.0070 0 1080 U 68 HSE HN H 0.310000 1.0080 0 1081 U 68 HSE CA CT1 0.070000 12.0110 0 1082 U 68 HSE HA HB 0.090000 1.0080 0 1083 U 68 HSE CB CT2 -0.080000 12.0110 0 1084 U 68 HSE HB1 HA 0.090000 1.0080 0 1085 U 68 HSE HB2 HA 0.090000 1.0080 0 1086 U 68 HSE ND1 NR2 -0.700000 14.0070 0 1087 U 68 HSE CG CPH1 0.220000 12.0110 0 1088 U 68 HSE CE1 CPH2 0.250000 12.0110 0 1089 U 68 HSE HE1 HR1 0.130000 1.0080 0 1090 U 68 HSE NE2 NR1 -0.360000 14.0070 0 1091 U 68 HSE HE2 H 0.320000 1.0080 0 1092 U 68 HSE CD2 CPH1 -0.050000 12.0110 0 1093 U 68 HSE HD2 HR3 0.090000 1.0080 0 1094 U 68 HSE C C 0.510000 12.0110 0 1095 U 68 HSE O O -0.510000 15.9990 0 1096 U 69 LEU N NH1 -0.470000 14.0070 0 1097 U 69 LEU HN H 0.310000 1.0080 0 1098 U 69 LEU CA CT1 0.070000 12.0110 0 1099 U 69 LEU HA HB 0.090000 1.0080 0 1100 U 69 LEU CB CT2 -0.180000 12.0110 0 1101 U 69 LEU HB1 HA 0.090000 1.0080 0 1102 U 69 LEU HB2 HA 0.090000 1.0080 0 1103 U 69 LEU CG CT1 -0.090000 12.0110 0 1104 U 69 LEU HG HA 0.090000 1.0080 0 1105 U 69 LEU CD1 CT3 -0.270000 12.0110 0 1106 U 69 LEU HD11 HA 0.090000 1.0080 0 1107 U 69 LEU HD12 HA 0.090000 1.0080 0 1108 U 69 LEU HD13 HA 0.090000 1.0080 0 1109 U 69 LEU CD2 CT3 -0.270000 12.0110 0 1110 U 69 LEU HD21 HA 0.090000 1.0080 0 1111 U 69 LEU HD22 HA 0.090000 1.0080 0 1112 U 69 LEU HD23 HA 0.090000 1.0080 0 1113 U 69 LEU C C 0.510000 12.0110 0 1114 U 69 LEU O O -0.510000 15.9990 0 1115 U 70 VAL N NH1 -0.470000 14.0070 0 1116 U 70 VAL HN H 0.310000 1.0080 0 1117 U 70 VAL CA CT1 0.070000 12.0110 0 1118 U 70 VAL HA HB 0.090000 1.0080 0 1119 U 70 VAL CB CT1 -0.090000 12.0110 0 1120 U 70 VAL HB HA 0.090000 1.0080 0 1121 U 70 VAL CG1 CT3 -0.270000 12.0110 0 1122 U 70 VAL HG11 HA 0.090000 1.0080 0 1123 U 70 VAL HG12 HA 0.090000 1.0080 0 1124 U 70 VAL HG13 HA 0.090000 1.0080 0 1125 U 70 VAL CG2 CT3 -0.270000 12.0110 0 1126 U 70 VAL HG21 HA 0.090000 1.0080 0 1127 U 70 VAL HG22 HA 0.090000 1.0080 0 1128 U 70 VAL HG23 HA 0.090000 1.0080 0 1129 U 70 VAL C C 0.510000 12.0110 0 1130 U 70 VAL O O -0.510000 15.9990 0 1131 U 71 LEU N NH1 -0.470000 14.0070 0 1132 U 71 LEU HN H 0.310000 1.0080 0 1133 U 71 LEU CA CT1 0.070000 12.0110 0 1134 U 71 LEU HA HB 0.090000 1.0080 0 1135 U 71 LEU CB CT2 -0.180000 12.0110 0 1136 U 71 LEU HB1 HA 0.090000 1.0080 0 1137 U 71 LEU HB2 HA 0.090000 1.0080 0 1138 U 71 LEU CG CT1 -0.090000 12.0110 0 1139 U 71 LEU HG HA 0.090000 1.0080 0 1140 U 71 LEU CD1 CT3 -0.270000 12.0110 0 1141 U 71 LEU HD11 HA 0.090000 1.0080 0 1142 U 71 LEU HD12 HA 0.090000 1.0080 0 1143 U 71 LEU HD13 HA 0.090000 1.0080 0 1144 U 71 LEU CD2 CT3 -0.270000 12.0110 0 1145 U 71 LEU HD21 HA 0.090000 1.0080 0 1146 U 71 LEU HD22 HA 0.090000 1.0080 0 1147 U 71 LEU HD23 HA 0.090000 1.0080 0 1148 U 71 LEU C C 0.510000 12.0110 0 1149 U 71 LEU O O -0.510000 15.9990 0 1150 U 72 ARG N NH1 -0.470000 14.0070 0 1151 U 72 ARG HN H 0.310000 1.0080 0 1152 U 72 ARG CA CT1 0.070000 12.0110 0 1153 U 72 ARG HA HB 0.090000 1.0080 0 1154 U 72 ARG CB CT2 -0.180000 12.0110 0 1155 U 72 ARG HB1 HA 0.090000 1.0080 0 1156 U 72 ARG HB2 HA 0.090000 1.0080 0 1157 U 72 ARG CG CT2 -0.180000 12.0110 0 1158 U 72 ARG HG1 HA 0.090000 1.0080 0 1159 U 72 ARG HG2 HA 0.090000 1.0080 0 1160 U 72 ARG CD CT2 0.200000 12.0110 0 1161 U 72 ARG HD1 HA 0.090000 1.0080 0 1162 U 72 ARG HD2 HA 0.090000 1.0080 0 1163 U 72 ARG NE NC2 -0.700000 14.0070 0 1164 U 72 ARG HE HC 0.440000 1.0080 0 1165 U 72 ARG CZ C 0.640000 12.0110 0 1166 U 72 ARG NH1 NC2 -0.800000 14.0070 0 1167 U 72 ARG HH11 HC 0.460000 1.0080 0 1168 U 72 ARG HH12 HC 0.460000 1.0080 0 1169 U 72 ARG NH2 NC2 -0.800000 14.0070 0 1170 U 72 ARG HH21 HC 0.460000 1.0080 0 1171 U 72 ARG HH22 HC 0.460000 1.0080 0 1172 U 72 ARG C C 0.510000 12.0110 0 1173 U 72 ARG O O -0.510000 15.9990 0 1174 U 73 LEU N NH1 -0.470000 14.0070 0 1175 U 73 LEU HN H 0.310000 1.0080 0 1176 U 73 LEU CA CT1 0.070000 12.0110 0 1177 U 73 LEU HA HB 0.090000 1.0080 0 1178 U 73 LEU CB CT2 -0.180000 12.0110 0 1179 U 73 LEU HB1 HA 0.090000 1.0080 0 1180 U 73 LEU HB2 HA 0.090000 1.0080 0 1181 U 73 LEU CG CT1 -0.090000 12.0110 0 1182 U 73 LEU HG HA 0.090000 1.0080 0 1183 U 73 LEU CD1 CT3 -0.270000 12.0110 0 1184 U 73 LEU HD11 HA 0.090000 1.0080 0 1185 U 73 LEU HD12 HA 0.090000 1.0080 0 1186 U 73 LEU HD13 HA 0.090000 1.0080 0 1187 U 73 LEU CD2 CT3 -0.270000 12.0110 0 1188 U 73 LEU HD21 HA 0.090000 1.0080 0 1189 U 73 LEU HD22 HA 0.090000 1.0080 0 1190 U 73 LEU HD23 HA 0.090000 1.0080 0 1191 U 73 LEU C C 0.510000 12.0110 0 1192 U 73 LEU O O -0.510000 15.9990 0 1193 U 74 ARG N NH1 -0.470000 14.0070 0 1194 U 74 ARG HN H 0.310000 1.0080 0 1195 U 74 ARG CA CT1 0.070000 12.0110 0 1196 U 74 ARG HA HB 0.090000 1.0080 0 1197 U 74 ARG CB CT2 -0.180000 12.0110 0 1198 U 74 ARG HB1 HA 0.090000 1.0080 0 1199 U 74 ARG HB2 HA 0.090000 1.0080 0 1200 U 74 ARG CG CT2 -0.180000 12.0110 0 1201 U 74 ARG HG1 HA 0.090000 1.0080 0 1202 U 74 ARG HG2 HA 0.090000 1.0080 0 1203 U 74 ARG CD CT2 0.200000 12.0110 0 1204 U 74 ARG HD1 HA 0.090000 1.0080 0 1205 U 74 ARG HD2 HA 0.090000 1.0080 0 1206 U 74 ARG NE NC2 -0.700000 14.0070 0 1207 U 74 ARG HE HC 0.440000 1.0080 0 1208 U 74 ARG CZ C 0.640000 12.0110 0 1209 U 74 ARG NH1 NC2 -0.800000 14.0070 0 1210 U 74 ARG HH11 HC 0.460000 1.0080 0 1211 U 74 ARG HH12 HC 0.460000 1.0080 0 1212 U 74 ARG NH2 NC2 -0.800000 14.0070 0 1213 U 74 ARG HH21 HC 0.460000 1.0080 0 1214 U 74 ARG HH22 HC 0.460000 1.0080 0 1215 U 74 ARG C C 0.510000 12.0110 0 1216 U 74 ARG O O -0.510000 15.9990 0 1217 U 75 GLY N NH1 -0.470000 14.0070 0 1218 U 75 GLY HN H 0.310000 1.0080 0 1219 U 75 GLY CA CT2 -0.020000 12.0110 0 1220 U 75 GLY HA1 HB 0.090000 1.0080 0 1221 U 75 GLY HA2 HB 0.090000 1.0080 0 1222 U 75 GLY C C 0.510000 12.0110 0 1223 U 75 GLY O O -0.510000 15.9990 0 1224 U 76 GLY C CC 0.340000 12.0110 0 1225 U 76 GLY OT1 OC -0.670000 15.9990 0 1226 U 76 GLY OT2 OC -0.670000 15.9990 0 1227 U 76 GLY N NH1 -0.470000 14.0070 0 1228 U 76 GLY HN H 0.310000 1.0080 0 1229 U 76 GLY CA CT2 -0.020000 12.0110 0 1230 U 76 GLY HA1 HB 0.090000 1.0080 0 1231 U 76 GLY HA2 HB 0.090000 1.0080 0 1232 WT1 30 TIP3 OH2 OT -0.834000 15.9994 0 1233 WT1 30 TIP3 H1 HT 0.417000 1.0080 0 1234 WT1 30 TIP3 H2 HT 0.417000 1.0080 0 1235 WT1 75 TIP3 OH2 OT -0.834000 15.9994 0 1236 WT1 75 TIP3 H1 HT 0.417000 1.0080 0 1237 WT1 75 TIP3 H2 HT 0.417000 1.0080 0 1238 WT1 90 TIP3 OH2 OT -0.834000 15.9994 0 1239 WT1 90 TIP3 H1 HT 0.417000 1.0080 0 1240 WT1 90 TIP3 H2 HT 0.417000 1.0080 0 1241 WT1 97 TIP3 OH2 OT -0.834000 15.9994 0 1242 WT1 97 TIP3 H1 HT 0.417000 1.0080 0 1243 WT1 97 TIP3 H2 HT 0.417000 1.0080 0 1244 WT1 98 TIP3 OH2 OT -0.834000 15.9994 0 1245 WT1 98 TIP3 H1 HT 0.417000 1.0080 0 1246 WT1 98 TIP3 H2 HT 0.417000 1.0080 0 1247 WT1 123 TIP3 OH2 OT -0.834000 15.9994 0 1248 WT1 123 TIP3 H1 HT 0.417000 1.0080 0 1249 WT1 123 TIP3 H2 HT 0.417000 1.0080 0 1250 WT1 129 TIP3 OH2 OT -0.834000 15.9994 0 1251 WT1 129 TIP3 H1 HT 0.417000 1.0080 0 1252 WT1 129 TIP3 H2 HT 0.417000 1.0080 0 1253 WT1 156 TIP3 OH2 OT -0.834000 15.9994 0 1254 WT1 156 TIP3 H1 HT 0.417000 1.0080 0 1255 WT1 156 TIP3 H2 HT 0.417000 1.0080 0 1256 WT1 158 TIP3 OH2 OT -0.834000 15.9994 0 1257 WT1 158 TIP3 H1 HT 0.417000 1.0080 0 1258 WT1 158 TIP3 H2 HT 0.417000 1.0080 0 1259 WT1 160 TIP3 OH2 OT -0.834000 15.9994 0 1260 WT1 160 TIP3 H1 HT 0.417000 1.0080 0 1261 WT1 160 TIP3 H2 HT 0.417000 1.0080 0 1262 WT1 163 TIP3 OH2 OT -0.834000 15.9994 0 1263 WT1 163 TIP3 H1 HT 0.417000 1.0080 0 1264 WT1 163 TIP3 H2 HT 0.417000 1.0080 0 1265 WT1 176 TIP3 OH2 OT -0.834000 15.9994 0 1266 WT1 176 TIP3 H1 HT 0.417000 1.0080 0 1267 WT1 176 TIP3 H2 HT 0.417000 1.0080 0 1268 WT1 179 TIP3 OH2 OT -0.834000 15.9994 0 1269 WT1 179 TIP3 H1 HT 0.417000 1.0080 0 1270 WT1 179 TIP3 H2 HT 0.417000 1.0080 0 1271 WT1 180 TIP3 OH2 OT -0.834000 15.9994 0 1272 WT1 180 TIP3 H1 HT 0.417000 1.0080 0 1273 WT1 180 TIP3 H2 HT 0.417000 1.0080 0 1274 WT1 198 TIP3 OH2 OT -0.834000 15.9994 0 1275 WT1 198 TIP3 H1 HT 0.417000 1.0080 0 1276 WT1 198 TIP3 H2 HT 0.417000 1.0080 0 1277 WT1 202 TIP3 OH2 OT -0.834000 15.9994 0 1278 WT1 202 TIP3 H1 HT 0.417000 1.0080 0 1279 WT1 202 TIP3 H2 HT 0.417000 1.0080 0 1280 WT1 212 TIP3 OH2 OT -0.834000 15.9994 0 1281 WT1 212 TIP3 H1 HT 0.417000 1.0080 0 1282 WT1 212 TIP3 H2 HT 0.417000 1.0080 0 1283 WT1 220 TIP3 OH2 OT -0.834000 15.9994 0 1284 WT1 220 TIP3 H1 HT 0.417000 1.0080 0 1285 WT1 220 TIP3 H2 HT 0.417000 1.0080 0 1286 WT1 221 TIP3 OH2 OT -0.834000 15.9994 0 1287 WT1 221 TIP3 H1 HT 0.417000 1.0080 0 1288 WT1 221 TIP3 H2 HT 0.417000 1.0080 0 1289 WT1 222 TIP3 OH2 OT -0.834000 15.9994 0 1290 WT1 222 TIP3 H1 HT 0.417000 1.0080 0 1291 WT1 222 TIP3 H2 HT 0.417000 1.0080 0 1292 WT1 224 TIP3 OH2 OT -0.834000 15.9994 0 1293 WT1 224 TIP3 H1 HT 0.417000 1.0080 0 1294 WT1 224 TIP3 H2 HT 0.417000 1.0080 0 1295 WT1 231 TIP3 OH2 OT -0.834000 15.9994 0 1296 WT1 231 TIP3 H1 HT 0.417000 1.0080 0 1297 WT1 231 TIP3 H2 HT 0.417000 1.0080 0 1298 WT1 235 TIP3 OH2 OT -0.834000 15.9994 0 1299 WT1 235 TIP3 H1 HT 0.417000 1.0080 0 1300 WT1 235 TIP3 H2 HT 0.417000 1.0080 0 1301 WT1 238 TIP3 OH2 OT -0.834000 15.9994 0 1302 WT1 238 TIP3 H1 HT 0.417000 1.0080 0 1303 WT1 238 TIP3 H2 HT 0.417000 1.0080 0 1304 WT1 239 TIP3 OH2 OT -0.834000 15.9994 0 1305 WT1 239 TIP3 H1 HT 0.417000 1.0080 0 1306 WT1 239 TIP3 H2 HT 0.417000 1.0080 0 1307 WT1 259 TIP3 OH2 OT -0.834000 15.9994 0 1308 WT1 259 TIP3 H1 HT 0.417000 1.0080 0 1309 WT1 259 TIP3 H2 HT 0.417000 1.0080 0 1310 WT1 260 TIP3 OH2 OT -0.834000 15.9994 0 1311 WT1 260 TIP3 H1 HT 0.417000 1.0080 0 1312 WT1 260 TIP3 H2 HT 0.417000 1.0080 0 1313 WT1 262 TIP3 OH2 OT -0.834000 15.9994 0 1314 WT1 262 TIP3 H1 HT 0.417000 1.0080 0 1315 WT1 262 TIP3 H2 HT 0.417000 1.0080 0 1316 WT1 263 TIP3 OH2 OT -0.834000 15.9994 0 1317 WT1 263 TIP3 H1 HT 0.417000 1.0080 0 1318 WT1 263 TIP3 H2 HT 0.417000 1.0080 0 1319 WT1 281 TIP3 OH2 OT -0.834000 15.9994 0 1320 WT1 281 TIP3 H1 HT 0.417000 1.0080 0 1321 WT1 281 TIP3 H2 HT 0.417000 1.0080 0 1322 WT1 282 TIP3 OH2 OT -0.834000 15.9994 0 1323 WT1 282 TIP3 H1 HT 0.417000 1.0080 0 1324 WT1 282 TIP3 H2 HT 0.417000 1.0080 0 1325 WT1 284 TIP3 OH2 OT -0.834000 15.9994 0 1326 WT1 284 TIP3 H1 HT 0.417000 1.0080 0 1327 WT1 284 TIP3 H2 HT 0.417000 1.0080 0 1328 WT1 291 TIP3 OH2 OT -0.834000 15.9994 0 1329 WT1 291 TIP3 H1 HT 0.417000 1.0080 0 1330 WT1 291 TIP3 H2 HT 0.417000 1.0080 0 1331 WT1 367 TIP3 OH2 OT -0.834000 15.9994 0 1332 WT1 367 TIP3 H1 HT 0.417000 1.0080 0 1333 WT1 367 TIP3 H2 HT 0.417000 1.0080 0 1334 WT1 452 TIP3 OH2 OT -0.834000 15.9994 0 1335 WT1 452 TIP3 H1 HT 0.417000 1.0080 0 1336 WT1 452 TIP3 H2 HT 0.417000 1.0080 0 1337 WT1 500 TIP3 OH2 OT -0.834000 15.9994 0 1338 WT1 500 TIP3 H1 HT 0.417000 1.0080 0 1339 WT1 500 TIP3 H2 HT 0.417000 1.0080 0 1340 WT1 528 TIP3 OH2 OT -0.834000 15.9994 0 1341 WT1 528 TIP3 H1 HT 0.417000 1.0080 0 1342 WT1 528 TIP3 H2 HT 0.417000 1.0080 0 1343 WT1 535 TIP3 OH2 OT -0.834000 15.9994 0 1344 WT1 535 TIP3 H1 HT 0.417000 1.0080 0 1345 WT1 535 TIP3 H2 HT 0.417000 1.0080 0 1346 WT1 549 TIP3 OH2 OT -0.834000 15.9994 0 1347 WT1 549 TIP3 H1 HT 0.417000 1.0080 0 1348 WT1 549 TIP3 H2 HT 0.417000 1.0080 0 1349 WT1 587 TIP3 OH2 OT -0.834000 15.9994 0 1350 WT1 587 TIP3 H1 HT 0.417000 1.0080 0 1351 WT1 587 TIP3 H2 HT 0.417000 1.0080 0 1352 WT1 592 TIP3 OH2 OT -0.834000 15.9994 0 1353 WT1 592 TIP3 H1 HT 0.417000 1.0080 0 1354 WT1 592 TIP3 H2 HT 0.417000 1.0080 0 1355 WT1 598 TIP3 OH2 OT -0.834000 15.9994 0 1356 WT1 598 TIP3 H1 HT 0.417000 1.0080 0 1357 WT1 598 TIP3 H2 HT 0.417000 1.0080 0 1358 WT1 601 TIP3 OH2 OT -0.834000 15.9994 0 1359 WT1 601 TIP3 H1 HT 0.417000 1.0080 0 1360 WT1 601 TIP3 H2 HT 0.417000 1.0080 0 1361 WT1 611 TIP3 OH2 OT -0.834000 15.9994 0 1362 WT1 611 TIP3 H1 HT 0.417000 1.0080 0 1363 WT1 611 TIP3 H2 HT 0.417000 1.0080 0 1364 WT1 615 TIP3 OH2 OT -0.834000 15.9994 0 1365 WT1 615 TIP3 H1 HT 0.417000 1.0080 0 1366 WT1 615 TIP3 H2 HT 0.417000 1.0080 0 1367 WT1 618 TIP3 OH2 OT -0.834000 15.9994 0 1368 WT1 618 TIP3 H1 HT 0.417000 1.0080 0 1369 WT1 618 TIP3 H2 HT 0.417000 1.0080 0 1370 WT1 623 TIP3 OH2 OT -0.834000 15.9994 0 1371 WT1 623 TIP3 H1 HT 0.417000 1.0080 0 1372 WT1 623 TIP3 H2 HT 0.417000 1.0080 0 1373 WT1 624 TIP3 OH2 OT -0.834000 15.9994 0 1374 WT1 624 TIP3 H1 HT 0.417000 1.0080 0 1375 WT1 624 TIP3 H2 HT 0.417000 1.0080 0 1376 WT1 636 TIP3 OH2 OT -0.834000 15.9994 0 1377 WT1 636 TIP3 H1 HT 0.417000 1.0080 0 1378 WT1 636 TIP3 H2 HT 0.417000 1.0080 0 1379 WT1 637 TIP3 OH2 OT -0.834000 15.9994 0 1380 WT1 637 TIP3 H1 HT 0.417000 1.0080 0 1381 WT1 637 TIP3 H2 HT 0.417000 1.0080 0 1382 WT1 640 TIP3 OH2 OT -0.834000 15.9994 0 1383 WT1 640 TIP3 H1 HT 0.417000 1.0080 0 1384 WT1 640 TIP3 H2 HT 0.417000 1.0080 0 1385 WT1 659 TIP3 OH2 OT -0.834000 15.9994 0 1386 WT1 659 TIP3 H1 HT 0.417000 1.0080 0 1387 WT1 659 TIP3 H2 HT 0.417000 1.0080 0 1388 WT1 661 TIP3 OH2 OT -0.834000 15.9994 0 1389 WT1 661 TIP3 H1 HT 0.417000 1.0080 0 1390 WT1 661 TIP3 H2 HT 0.417000 1.0080 0 1391 WT1 667 TIP3 OH2 OT -0.834000 15.9994 0 1392 WT1 667 TIP3 H1 HT 0.417000 1.0080 0 1393 WT1 667 TIP3 H2 HT 0.417000 1.0080 0 1394 WT1 676 TIP3 OH2 OT -0.834000 15.9994 0 1395 WT1 676 TIP3 H1 HT 0.417000 1.0080 0 1396 WT1 676 TIP3 H2 HT 0.417000 1.0080 0 1397 WT1 679 TIP3 OH2 OT -0.834000 15.9994 0 1398 WT1 679 TIP3 H1 HT 0.417000 1.0080 0 1399 WT1 679 TIP3 H2 HT 0.417000 1.0080 0 1400 WT1 680 TIP3 OH2 OT -0.834000 15.9994 0 1401 WT1 680 TIP3 H1 HT 0.417000 1.0080 0 1402 WT1 680 TIP3 H2 HT 0.417000 1.0080 0 1403 WT1 682 TIP3 OH2 OT -0.834000 15.9994 0 1404 WT1 682 TIP3 H1 HT 0.417000 1.0080 0 1405 WT1 682 TIP3 H2 HT 0.417000 1.0080 0 1406 WT1 686 TIP3 OH2 OT -0.834000 15.9994 0 1407 WT1 686 TIP3 H1 HT 0.417000 1.0080 0 1408 WT1 686 TIP3 H2 HT 0.417000 1.0080 0 1409 WT1 687 TIP3 OH2 OT -0.834000 15.9994 0 1410 WT1 687 TIP3 H1 HT 0.417000 1.0080 0 1411 WT1 687 TIP3 H2 HT 0.417000 1.0080 0 1412 WT1 699 TIP3 OH2 OT -0.834000 15.9994 0 1413 WT1 699 TIP3 H1 HT 0.417000 1.0080 0 1414 WT1 699 TIP3 H2 HT 0.417000 1.0080 0 1415 WT1 700 TIP3 OH2 OT -0.834000 15.9994 0 1416 WT1 700 TIP3 H1 HT 0.417000 1.0080 0 1417 WT1 700 TIP3 H2 HT 0.417000 1.0080 0 1418 WT1 701 TIP3 OH2 OT -0.834000 15.9994 0 1419 WT1 701 TIP3 H1 HT 0.417000 1.0080 0 1420 WT1 701 TIP3 H2 HT 0.417000 1.0080 0 1421 WT1 702 TIP3 OH2 OT -0.834000 15.9994 0 1422 WT1 702 TIP3 H1 HT 0.417000 1.0080 0 1423 WT1 702 TIP3 H2 HT 0.417000 1.0080 0 1424 WT1 703 TIP3 OH2 OT -0.834000 15.9994 0 1425 WT1 703 TIP3 H1 HT 0.417000 1.0080 0 1426 WT1 703 TIP3 H2 HT 0.417000 1.0080 0 1427 WT1 705 TIP3 OH2 OT -0.834000 15.9994 0 1428 WT1 705 TIP3 H1 HT 0.417000 1.0080 0 1429 WT1 705 TIP3 H2 HT 0.417000 1.0080 0 1430 WT1 706 TIP3 OH2 OT -0.834000 15.9994 0 1431 WT1 706 TIP3 H1 HT 0.417000 1.0080 0 1432 WT1 706 TIP3 H2 HT 0.417000 1.0080 0 1433 WT1 707 TIP3 OH2 OT -0.834000 15.9994 0 1434 WT1 707 TIP3 H1 HT 0.417000 1.0080 0 1435 WT1 707 TIP3 H2 HT 0.417000 1.0080 0 1436 WT1 708 TIP3 OH2 OT -0.834000 15.9994 0 1437 WT1 708 TIP3 H1 HT 0.417000 1.0080 0 1438 WT1 708 TIP3 H2 HT 0.417000 1.0080 0 1439 WT1 710 TIP3 OH2 OT -0.834000 15.9994 0 1440 WT1 710 TIP3 H1 HT 0.417000 1.0080 0 1441 WT1 710 TIP3 H2 HT 0.417000 1.0080 0 1442 WT1 713 TIP3 OH2 OT -0.834000 15.9994 0 1443 WT1 713 TIP3 H1 HT 0.417000 1.0080 0 1444 WT1 713 TIP3 H2 HT 0.417000 1.0080 0 1445 WT1 725 TIP3 OH2 OT -0.834000 15.9994 0 1446 WT1 725 TIP3 H1 HT 0.417000 1.0080 0 1447 WT1 725 TIP3 H2 HT 0.417000 1.0080 0 1448 WT1 737 TIP3 OH2 OT -0.834000 15.9994 0 1449 WT1 737 TIP3 H1 HT 0.417000 1.0080 0 1450 WT1 737 TIP3 H2 HT 0.417000 1.0080 0 1451 WT1 741 TIP3 OH2 OT -0.834000 15.9994 0 1452 WT1 741 TIP3 H1 HT 0.417000 1.0080 0 1453 WT1 741 TIP3 H2 HT 0.417000 1.0080 0 1454 WT1 748 TIP3 OH2 OT -0.834000 15.9994 0 1455 WT1 748 TIP3 H1 HT 0.417000 1.0080 0 1456 WT1 748 TIP3 H2 HT 0.417000 1.0080 0 1457 WT1 788 TIP3 OH2 OT -0.834000 15.9994 0 1458 WT1 788 TIP3 H1 HT 0.417000 1.0080 0 1459 WT1 788 TIP3 H2 HT 0.417000 1.0080 0 1460 WT1 796 TIP3 OH2 OT -0.834000 15.9994 0 1461 WT1 796 TIP3 H1 HT 0.417000 1.0080 0 1462 WT1 796 TIP3 H2 HT 0.417000 1.0080 0 1463 WT1 811 TIP3 OH2 OT -0.834000 15.9994 0 1464 WT1 811 TIP3 H1 HT 0.417000 1.0080 0 1465 WT1 811 TIP3 H2 HT 0.417000 1.0080 0 1466 WT1 813 TIP3 OH2 OT -0.834000 15.9994 0 1467 WT1 813 TIP3 H1 HT 0.417000 1.0080 0 1468 WT1 813 TIP3 H2 HT 0.417000 1.0080 0 1469 WT1 916 TIP3 OH2 OT -0.834000 15.9994 0 1470 WT1 916 TIP3 H1 HT 0.417000 1.0080 0 1471 WT1 916 TIP3 H2 HT 0.417000 1.0080 0 1472 WT1 950 TIP3 OH2 OT -0.834000 15.9994 0 1473 WT1 950 TIP3 H1 HT 0.417000 1.0080 0 1474 WT1 950 TIP3 H2 HT 0.417000 1.0080 0 1475 WT1 973 TIP3 OH2 OT -0.834000 15.9994 0 1476 WT1 973 TIP3 H1 HT 0.417000 1.0080 0 1477 WT1 973 TIP3 H2 HT 0.417000 1.0080 0 1478 WT1 990 TIP3 OH2 OT -0.834000 15.9994 0 1479 WT1 990 TIP3 H1 HT 0.417000 1.0080 0 1480 WT1 990 TIP3 H2 HT 0.417000 1.0080 0 1481 WT1 991 TIP3 OH2 OT -0.834000 15.9994 0 1482 WT1 991 TIP3 H1 HT 0.417000 1.0080 0 1483 WT1 991 TIP3 H2 HT 0.417000 1.0080 0 1484 WT1 994 TIP3 OH2 OT -0.834000 15.9994 0 1485 WT1 994 TIP3 H1 HT 0.417000 1.0080 0 1486 WT1 994 TIP3 H2 HT 0.417000 1.0080 0 1487 WT1 1004 TIP3 OH2 OT -0.834000 15.9994 0 1488 WT1 1004 TIP3 H1 HT 0.417000 1.0080 0 1489 WT1 1004 TIP3 H2 HT 0.417000 1.0080 0 1490 WT1 1012 TIP3 OH2 OT -0.834000 15.9994 0 1491 WT1 1012 TIP3 H1 HT 0.417000 1.0080 0 1492 WT1 1012 TIP3 H2 HT 0.417000 1.0080 0 1493 WT1 1023 TIP3 OH2 OT -0.834000 15.9994 0 1494 WT1 1023 TIP3 H1 HT 0.417000 1.0080 0 1495 WT1 1023 TIP3 H2 HT 0.417000 1.0080 0 1496 WT1 1036 TIP3 OH2 OT -0.834000 15.9994 0 1497 WT1 1036 TIP3 H1 HT 0.417000 1.0080 0 1498 WT1 1036 TIP3 H2 HT 0.417000 1.0080 0 1499 WT1 1038 TIP3 OH2 OT -0.834000 15.9994 0 1500 WT1 1038 TIP3 H1 HT 0.417000 1.0080 0 1501 WT1 1038 TIP3 H2 HT 0.417000 1.0080 0 1502 WT1 1039 TIP3 OH2 OT -0.834000 15.9994 0 1503 WT1 1039 TIP3 H1 HT 0.417000 1.0080 0 1504 WT1 1039 TIP3 H2 HT 0.417000 1.0080 0 1505 WT1 1042 TIP3 OH2 OT -0.834000 15.9994 0 1506 WT1 1042 TIP3 H1 HT 0.417000 1.0080 0 1507 WT1 1042 TIP3 H2 HT 0.417000 1.0080 0 1508 WT1 1053 TIP3 OH2 OT -0.834000 15.9994 0 1509 WT1 1053 TIP3 H1 HT 0.417000 1.0080 0 1510 WT1 1053 TIP3 H2 HT 0.417000 1.0080 0 1511 WT1 1056 TIP3 OH2 OT -0.834000 15.9994 0 1512 WT1 1056 TIP3 H1 HT 0.417000 1.0080 0 1513 WT1 1056 TIP3 H2 HT 0.417000 1.0080 0 1514 WT1 1057 TIP3 OH2 OT -0.834000 15.9994 0 1515 WT1 1057 TIP3 H1 HT 0.417000 1.0080 0 1516 WT1 1057 TIP3 H2 HT 0.417000 1.0080 0 1517 WT1 1060 TIP3 OH2 OT -0.834000 15.9994 0 1518 WT1 1060 TIP3 H1 HT 0.417000 1.0080 0 1519 WT1 1060 TIP3 H2 HT 0.417000 1.0080 0 1520 WT1 1063 TIP3 OH2 OT -0.834000 15.9994 0 1521 WT1 1063 TIP3 H1 HT 0.417000 1.0080 0 1522 WT1 1063 TIP3 H2 HT 0.417000 1.0080 0 1523 WT1 1065 TIP3 OH2 OT -0.834000 15.9994 0 1524 WT1 1065 TIP3 H1 HT 0.417000 1.0080 0 1525 WT1 1065 TIP3 H2 HT 0.417000 1.0080 0 1526 WT1 1066 TIP3 OH2 OT -0.834000 15.9994 0 1527 WT1 1066 TIP3 H1 HT 0.417000 1.0080 0 1528 WT1 1066 TIP3 H2 HT 0.417000 1.0080 0 1529 WT1 1078 TIP3 OH2 OT -0.834000 15.9994 0 1530 WT1 1078 TIP3 H1 HT 0.417000 1.0080 0 1531 WT1 1078 TIP3 H2 HT 0.417000 1.0080 0 1532 WT1 1080 TIP3 OH2 OT -0.834000 15.9994 0 1533 WT1 1080 TIP3 H1 HT 0.417000 1.0080 0 1534 WT1 1080 TIP3 H2 HT 0.417000 1.0080 0 1535 WT1 1081 TIP3 OH2 OT -0.834000 15.9994 0 1536 WT1 1081 TIP3 H1 HT 0.417000 1.0080 0 1537 WT1 1081 TIP3 H2 HT 0.417000 1.0080 0 1538 WT1 1085 TIP3 OH2 OT -0.834000 15.9994 0 1539 WT1 1085 TIP3 H1 HT 0.417000 1.0080 0 1540 WT1 1085 TIP3 H2 HT 0.417000 1.0080 0 1541 WT1 1087 TIP3 OH2 OT -0.834000 15.9994 0 1542 WT1 1087 TIP3 H1 HT 0.417000 1.0080 0 1543 WT1 1087 TIP3 H2 HT 0.417000 1.0080 0 1544 WT1 1088 TIP3 OH2 OT -0.834000 15.9994 0 1545 WT1 1088 TIP3 H1 HT 0.417000 1.0080 0 1546 WT1 1088 TIP3 H2 HT 0.417000 1.0080 0 1547 WT1 1090 TIP3 OH2 OT -0.834000 15.9994 0 1548 WT1 1090 TIP3 H1 HT 0.417000 1.0080 0 1549 WT1 1090 TIP3 H2 HT 0.417000 1.0080 0 1550 WT1 1097 TIP3 OH2 OT -0.834000 15.9994 0 1551 WT1 1097 TIP3 H1 HT 0.417000 1.0080 0 1552 WT1 1097 TIP3 H2 HT 0.417000 1.0080 0 1553 WT1 1099 TIP3 OH2 OT -0.834000 15.9994 0 1554 WT1 1099 TIP3 H1 HT 0.417000 1.0080 0 1555 WT1 1099 TIP3 H2 HT 0.417000 1.0080 0 1556 WT1 1100 TIP3 OH2 OT -0.834000 15.9994 0 1557 WT1 1100 TIP3 H1 HT 0.417000 1.0080 0 1558 WT1 1100 TIP3 H2 HT 0.417000 1.0080 0 1559 WT1 1101 TIP3 OH2 OT -0.834000 15.9994 0 1560 WT1 1101 TIP3 H1 HT 0.417000 1.0080 0 1561 WT1 1101 TIP3 H2 HT 0.417000 1.0080 0 1562 WT1 1103 TIP3 OH2 OT -0.834000 15.9994 0 1563 WT1 1103 TIP3 H1 HT 0.417000 1.0080 0 1564 WT1 1103 TIP3 H2 HT 0.417000 1.0080 0 1565 WT1 1105 TIP3 OH2 OT -0.834000 15.9994 0 1566 WT1 1105 TIP3 H1 HT 0.417000 1.0080 0 1567 WT1 1105 TIP3 H2 HT 0.417000 1.0080 0 1568 WT1 1107 TIP3 OH2 OT -0.834000 15.9994 0 1569 WT1 1107 TIP3 H1 HT 0.417000 1.0080 0 1570 WT1 1107 TIP3 H2 HT 0.417000 1.0080 0 1571 WT1 1113 TIP3 OH2 OT -0.834000 15.9994 0 1572 WT1 1113 TIP3 H1 HT 0.417000 1.0080 0 1573 WT1 1113 TIP3 H2 HT 0.417000 1.0080 0 1574 WT1 1116 TIP3 OH2 OT -0.834000 15.9994 0 1575 WT1 1116 TIP3 H1 HT 0.417000 1.0080 0 1576 WT1 1116 TIP3 H2 HT 0.417000 1.0080 0 1577 WT1 1118 TIP3 OH2 OT -0.834000 15.9994 0 1578 WT1 1118 TIP3 H1 HT 0.417000 1.0080 0 1579 WT1 1118 TIP3 H2 HT 0.417000 1.0080 0 1580 WT1 1120 TIP3 OH2 OT -0.834000 15.9994 0 1581 WT1 1120 TIP3 H1 HT 0.417000 1.0080 0 1582 WT1 1120 TIP3 H2 HT 0.417000 1.0080 0 1583 WT1 1121 TIP3 OH2 OT -0.834000 15.9994 0 1584 WT1 1121 TIP3 H1 HT 0.417000 1.0080 0 1585 WT1 1121 TIP3 H2 HT 0.417000 1.0080 0 1586 WT1 1123 TIP3 OH2 OT -0.834000 15.9994 0 1587 WT1 1123 TIP3 H1 HT 0.417000 1.0080 0 1588 WT1 1123 TIP3 H2 HT 0.417000 1.0080 0 1589 WT1 1126 TIP3 OH2 OT -0.834000 15.9994 0 1590 WT1 1126 TIP3 H1 HT 0.417000 1.0080 0 1591 WT1 1126 TIP3 H2 HT 0.417000 1.0080 0 1592 WT1 1127 TIP3 OH2 OT -0.834000 15.9994 0 1593 WT1 1127 TIP3 H1 HT 0.417000 1.0080 0 1594 WT1 1127 TIP3 H2 HT 0.417000 1.0080 0 1595 WT1 1128 TIP3 OH2 OT -0.834000 15.9994 0 1596 WT1 1128 TIP3 H1 HT 0.417000 1.0080 0 1597 WT1 1128 TIP3 H2 HT 0.417000 1.0080 0 1598 WT1 1137 TIP3 OH2 OT -0.834000 15.9994 0 1599 WT1 1137 TIP3 H1 HT 0.417000 1.0080 0 1600 WT1 1137 TIP3 H2 HT 0.417000 1.0080 0 1601 WT1 1142 TIP3 OH2 OT -0.834000 15.9994 0 1602 WT1 1142 TIP3 H1 HT 0.417000 1.0080 0 1603 WT1 1142 TIP3 H2 HT 0.417000 1.0080 0 1604 WT1 1143 TIP3 OH2 OT -0.834000 15.9994 0 1605 WT1 1143 TIP3 H1 HT 0.417000 1.0080 0 1606 WT1 1143 TIP3 H2 HT 0.417000 1.0080 0 1607 WT1 1144 TIP3 OH2 OT -0.834000 15.9994 0 1608 WT1 1144 TIP3 H1 HT 0.417000 1.0080 0 1609 WT1 1144 TIP3 H2 HT 0.417000 1.0080 0 1610 WT1 1148 TIP3 OH2 OT -0.834000 15.9994 0 1611 WT1 1148 TIP3 H1 HT 0.417000 1.0080 0 1612 WT1 1148 TIP3 H2 HT 0.417000 1.0080 0 1613 WT1 1150 TIP3 OH2 OT -0.834000 15.9994 0 1614 WT1 1150 TIP3 H1 HT 0.417000 1.0080 0 1615 WT1 1150 TIP3 H2 HT 0.417000 1.0080 0 1616 WT1 1151 TIP3 OH2 OT -0.834000 15.9994 0 1617 WT1 1151 TIP3 H1 HT 0.417000 1.0080 0 1618 WT1 1151 TIP3 H2 HT 0.417000 1.0080 0 1619 WT1 1164 TIP3 OH2 OT -0.834000 15.9994 0 1620 WT1 1164 TIP3 H1 HT 0.417000 1.0080 0 1621 WT1 1164 TIP3 H2 HT 0.417000 1.0080 0 1622 WT1 1166 TIP3 OH2 OT -0.834000 15.9994 0 1623 WT1 1166 TIP3 H1 HT 0.417000 1.0080 0 1624 WT1 1166 TIP3 H2 HT 0.417000 1.0080 0 1625 WT1 1177 TIP3 OH2 OT -0.834000 15.9994 0 1626 WT1 1177 TIP3 H1 HT 0.417000 1.0080 0 1627 WT1 1177 TIP3 H2 HT 0.417000 1.0080 0 1628 WT1 1186 TIP3 OH2 OT -0.834000 15.9994 0 1629 WT1 1186 TIP3 H1 HT 0.417000 1.0080 0 1630 WT1 1186 TIP3 H2 HT 0.417000 1.0080 0 1631 WT1 1187 TIP3 OH2 OT -0.834000 15.9994 0 1632 WT1 1187 TIP3 H1 HT 0.417000 1.0080 0 1633 WT1 1187 TIP3 H2 HT 0.417000 1.0080 0 1634 WT1 1188 TIP3 OH2 OT -0.834000 15.9994 0 1635 WT1 1188 TIP3 H1 HT 0.417000 1.0080 0 1636 WT1 1188 TIP3 H2 HT 0.417000 1.0080 0 1637 WT1 1193 TIP3 OH2 OT -0.834000 15.9994 0 1638 WT1 1193 TIP3 H1 HT 0.417000 1.0080 0 1639 WT1 1193 TIP3 H2 HT 0.417000 1.0080 0 1640 WT1 1208 TIP3 OH2 OT -0.834000 15.9994 0 1641 WT1 1208 TIP3 H1 HT 0.417000 1.0080 0 1642 WT1 1208 TIP3 H2 HT 0.417000 1.0080 0 1643 WT1 1211 TIP3 OH2 OT -0.834000 15.9994 0 1644 WT1 1211 TIP3 H1 HT 0.417000 1.0080 0 1645 WT1 1211 TIP3 H2 HT 0.417000 1.0080 0 1646 WT1 1212 TIP3 OH2 OT -0.834000 15.9994 0 1647 WT1 1212 TIP3 H1 HT 0.417000 1.0080 0 1648 WT1 1212 TIP3 H2 HT 0.417000 1.0080 0 1649 WT1 1214 TIP3 OH2 OT -0.834000 15.9994 0 1650 WT1 1214 TIP3 H1 HT 0.417000 1.0080 0 1651 WT1 1214 TIP3 H2 HT 0.417000 1.0080 0 1652 WT1 1215 TIP3 OH2 OT -0.834000 15.9994 0 1653 WT1 1215 TIP3 H1 HT 0.417000 1.0080 0 1654 WT1 1215 TIP3 H2 HT 0.417000 1.0080 0 1655 WT1 1232 TIP3 OH2 OT -0.834000 15.9994 0 1656 WT1 1232 TIP3 H1 HT 0.417000 1.0080 0 1657 WT1 1232 TIP3 H2 HT 0.417000 1.0080 0 1658 WT1 1234 TIP3 OH2 OT -0.834000 15.9994 0 1659 WT1 1234 TIP3 H1 HT 0.417000 1.0080 0 1660 WT1 1234 TIP3 H2 HT 0.417000 1.0080 0 1661 WT1 1271 TIP3 OH2 OT -0.834000 15.9994 0 1662 WT1 1271 TIP3 H1 HT 0.417000 1.0080 0 1663 WT1 1271 TIP3 H2 HT 0.417000 1.0080 0 1664 WT1 1313 TIP3 OH2 OT -0.834000 15.9994 0 1665 WT1 1313 TIP3 H1 HT 0.417000 1.0080 0 1666 WT1 1313 TIP3 H2 HT 0.417000 1.0080 0 1667 WT1 1330 TIP3 OH2 OT -0.834000 15.9994 0 1668 WT1 1330 TIP3 H1 HT 0.417000 1.0080 0 1669 WT1 1330 TIP3 H2 HT 0.417000 1.0080 0 1670 WT1 1355 TIP3 OH2 OT -0.834000 15.9994 0 1671 WT1 1355 TIP3 H1 HT 0.417000 1.0080 0 1672 WT1 1355 TIP3 H2 HT 0.417000 1.0080 0 1673 WT1 1363 TIP3 OH2 OT -0.834000 15.9994 0 1674 WT1 1363 TIP3 H1 HT 0.417000 1.0080 0 1675 WT1 1363 TIP3 H2 HT 0.417000 1.0080 0 1676 WT1 1376 TIP3 OH2 OT -0.834000 15.9994 0 1677 WT1 1376 TIP3 H1 HT 0.417000 1.0080 0 1678 WT1 1376 TIP3 H2 HT 0.417000 1.0080 0 1679 WT1 1388 TIP3 OH2 OT -0.834000 15.9994 0 1680 WT1 1388 TIP3 H1 HT 0.417000 1.0080 0 1681 WT1 1388 TIP3 H2 HT 0.417000 1.0080 0 1682 WT1 1392 TIP3 OH2 OT -0.834000 15.9994 0 1683 WT1 1392 TIP3 H1 HT 0.417000 1.0080 0 1684 WT1 1392 TIP3 H2 HT 0.417000 1.0080 0 1685 WT1 1396 TIP3 OH2 OT -0.834000 15.9994 0 1686 WT1 1396 TIP3 H1 HT 0.417000 1.0080 0 1687 WT1 1396 TIP3 H2 HT 0.417000 1.0080 0 1688 WT1 1413 TIP3 OH2 OT -0.834000 15.9994 0 1689 WT1 1413 TIP3 H1 HT 0.417000 1.0080 0 1690 WT1 1413 TIP3 H2 HT 0.417000 1.0080 0 1691 WT1 1415 TIP3 OH2 OT -0.834000 15.9994 0 1692 WT1 1415 TIP3 H1 HT 0.417000 1.0080 0 1693 WT1 1415 TIP3 H2 HT 0.417000 1.0080 0 1694 WT1 1417 TIP3 OH2 OT -0.834000 15.9994 0 1695 WT1 1417 TIP3 H1 HT 0.417000 1.0080 0 1696 WT1 1417 TIP3 H2 HT 0.417000 1.0080 0 1697 WT1 1419 TIP3 OH2 OT -0.834000 15.9994 0 1698 WT1 1419 TIP3 H1 HT 0.417000 1.0080 0 1699 WT1 1419 TIP3 H2 HT 0.417000 1.0080 0 1700 WT1 1421 TIP3 OH2 OT -0.834000 15.9994 0 1701 WT1 1421 TIP3 H1 HT 0.417000 1.0080 0 1702 WT1 1421 TIP3 H2 HT 0.417000 1.0080 0 1703 WT1 1430 TIP3 OH2 OT -0.834000 15.9994 0 1704 WT1 1430 TIP3 H1 HT 0.417000 1.0080 0 1705 WT1 1430 TIP3 H2 HT 0.417000 1.0080 0 1706 WT1 1439 TIP3 OH2 OT -0.834000 15.9994 0 1707 WT1 1439 TIP3 H1 HT 0.417000 1.0080 0 1708 WT1 1439 TIP3 H2 HT 0.417000 1.0080 0 1709 WT1 1443 TIP3 OH2 OT -0.834000 15.9994 0 1710 WT1 1443 TIP3 H1 HT 0.417000 1.0080 0 1711 WT1 1443 TIP3 H2 HT 0.417000 1.0080 0 1712 WT1 1455 TIP3 OH2 OT -0.834000 15.9994 0 1713 WT1 1455 TIP3 H1 HT 0.417000 1.0080 0 1714 WT1 1455 TIP3 H2 HT 0.417000 1.0080 0 1715 WT1 1463 TIP3 OH2 OT -0.834000 15.9994 0 1716 WT1 1463 TIP3 H1 HT 0.417000 1.0080 0 1717 WT1 1463 TIP3 H2 HT 0.417000 1.0080 0 1718 WT1 1465 TIP3 OH2 OT -0.834000 15.9994 0 1719 WT1 1465 TIP3 H1 HT 0.417000 1.0080 0 1720 WT1 1465 TIP3 H2 HT 0.417000 1.0080 0 1721 WT1 1475 TIP3 OH2 OT -0.834000 15.9994 0 1722 WT1 1475 TIP3 H1 HT 0.417000 1.0080 0 1723 WT1 1475 TIP3 H2 HT 0.417000 1.0080 0 1724 WT1 1479 TIP3 OH2 OT -0.834000 15.9994 0 1725 WT1 1479 TIP3 H1 HT 0.417000 1.0080 0 1726 WT1 1479 TIP3 H2 HT 0.417000 1.0080 0 1727 WT1 1485 TIP3 OH2 OT -0.834000 15.9994 0 1728 WT1 1485 TIP3 H1 HT 0.417000 1.0080 0 1729 WT1 1485 TIP3 H2 HT 0.417000 1.0080 0 1730 WT1 1495 TIP3 OH2 OT -0.834000 15.9994 0 1731 WT1 1495 TIP3 H1 HT 0.417000 1.0080 0 1732 WT1 1495 TIP3 H2 HT 0.417000 1.0080 0 1733 WT1 1499 TIP3 OH2 OT -0.834000 15.9994 0 1734 WT1 1499 TIP3 H1 HT 0.417000 1.0080 0 1735 WT1 1499 TIP3 H2 HT 0.417000 1.0080 0 1736 WT1 1500 TIP3 OH2 OT -0.834000 15.9994 0 1737 WT1 1500 TIP3 H1 HT 0.417000 1.0080 0 1738 WT1 1500 TIP3 H2 HT 0.417000 1.0080 0 1739 WT1 1502 TIP3 OH2 OT -0.834000 15.9994 0 1740 WT1 1502 TIP3 H1 HT 0.417000 1.0080 0 1741 WT1 1502 TIP3 H2 HT 0.417000 1.0080 0 1742 WT1 1507 TIP3 OH2 OT -0.834000 15.9994 0 1743 WT1 1507 TIP3 H1 HT 0.417000 1.0080 0 1744 WT1 1507 TIP3 H2 HT 0.417000 1.0080 0 1745 WT1 1519 TIP3 OH2 OT -0.834000 15.9994 0 1746 WT1 1519 TIP3 H1 HT 0.417000 1.0080 0 1747 WT1 1519 TIP3 H2 HT 0.417000 1.0080 0 1748 WT1 1520 TIP3 OH2 OT -0.834000 15.9994 0 1749 WT1 1520 TIP3 H1 HT 0.417000 1.0080 0 1750 WT1 1520 TIP3 H2 HT 0.417000 1.0080 0 1751 WT1 1522 TIP3 OH2 OT -0.834000 15.9994 0 1752 WT1 1522 TIP3 H1 HT 0.417000 1.0080 0 1753 WT1 1522 TIP3 H2 HT 0.417000 1.0080 0 1754 WT1 1525 TIP3 OH2 OT -0.834000 15.9994 0 1755 WT1 1525 TIP3 H1 HT 0.417000 1.0080 0 1756 WT1 1525 TIP3 H2 HT 0.417000 1.0080 0 1757 WT1 1528 TIP3 OH2 OT -0.834000 15.9994 0 1758 WT1 1528 TIP3 H1 HT 0.417000 1.0080 0 1759 WT1 1528 TIP3 H2 HT 0.417000 1.0080 0 1760 WT1 1529 TIP3 OH2 OT -0.834000 15.9994 0 1761 WT1 1529 TIP3 H1 HT 0.417000 1.0080 0 1762 WT1 1529 TIP3 H2 HT 0.417000 1.0080 0 1763 WT1 1532 TIP3 OH2 OT -0.834000 15.9994 0 1764 WT1 1532 TIP3 H1 HT 0.417000 1.0080 0 1765 WT1 1532 TIP3 H2 HT 0.417000 1.0080 0 1766 WT1 1534 TIP3 OH2 OT -0.834000 15.9994 0 1767 WT1 1534 TIP3 H1 HT 0.417000 1.0080 0 1768 WT1 1534 TIP3 H2 HT 0.417000 1.0080 0 1769 WT1 1537 TIP3 OH2 OT -0.834000 15.9994 0 1770 WT1 1537 TIP3 H1 HT 0.417000 1.0080 0 1771 WT1 1537 TIP3 H2 HT 0.417000 1.0080 0 1772 WT1 1538 TIP3 OH2 OT -0.834000 15.9994 0 1773 WT1 1538 TIP3 H1 HT 0.417000 1.0080 0 1774 WT1 1538 TIP3 H2 HT 0.417000 1.0080 0 1775 WT1 1544 TIP3 OH2 OT -0.834000 15.9994 0 1776 WT1 1544 TIP3 H1 HT 0.417000 1.0080 0 1777 WT1 1544 TIP3 H2 HT 0.417000 1.0080 0 1778 WT1 1548 TIP3 OH2 OT -0.834000 15.9994 0 1779 WT1 1548 TIP3 H1 HT 0.417000 1.0080 0 1780 WT1 1548 TIP3 H2 HT 0.417000 1.0080 0 1781 WT1 1555 TIP3 OH2 OT -0.834000 15.9994 0 1782 WT1 1555 TIP3 H1 HT 0.417000 1.0080 0 1783 WT1 1555 TIP3 H2 HT 0.417000 1.0080 0 1784 WT1 1563 TIP3 OH2 OT -0.834000 15.9994 0 1785 WT1 1563 TIP3 H1 HT 0.417000 1.0080 0 1786 WT1 1563 TIP3 H2 HT 0.417000 1.0080 0 1787 WT1 1565 TIP3 OH2 OT -0.834000 15.9994 0 1788 WT1 1565 TIP3 H1 HT 0.417000 1.0080 0 1789 WT1 1565 TIP3 H2 HT 0.417000 1.0080 0 1790 WT1 1566 TIP3 OH2 OT -0.834000 15.9994 0 1791 WT1 1566 TIP3 H1 HT 0.417000 1.0080 0 1792 WT1 1566 TIP3 H2 HT 0.417000 1.0080 0 1793 WT1 1568 TIP3 OH2 OT -0.834000 15.9994 0 1794 WT1 1568 TIP3 H1 HT 0.417000 1.0080 0 1795 WT1 1568 TIP3 H2 HT 0.417000 1.0080 0 1796 WT1 1576 TIP3 OH2 OT -0.834000 15.9994 0 1797 WT1 1576 TIP3 H1 HT 0.417000 1.0080 0 1798 WT1 1576 TIP3 H2 HT 0.417000 1.0080 0 1799 WT1 1580 TIP3 OH2 OT -0.834000 15.9994 0 1800 WT1 1580 TIP3 H1 HT 0.417000 1.0080 0 1801 WT1 1580 TIP3 H2 HT 0.417000 1.0080 0 1802 WT1 1581 TIP3 OH2 OT -0.834000 15.9994 0 1803 WT1 1581 TIP3 H1 HT 0.417000 1.0080 0 1804 WT1 1581 TIP3 H2 HT 0.417000 1.0080 0 1805 WT1 1582 TIP3 OH2 OT -0.834000 15.9994 0 1806 WT1 1582 TIP3 H1 HT 0.417000 1.0080 0 1807 WT1 1582 TIP3 H2 HT 0.417000 1.0080 0 1808 WT1 1583 TIP3 OH2 OT -0.834000 15.9994 0 1809 WT1 1583 TIP3 H1 HT 0.417000 1.0080 0 1810 WT1 1583 TIP3 H2 HT 0.417000 1.0080 0 1811 WT1 1584 TIP3 OH2 OT -0.834000 15.9994 0 1812 WT1 1584 TIP3 H1 HT 0.417000 1.0080 0 1813 WT1 1584 TIP3 H2 HT 0.417000 1.0080 0 1814 WT1 1586 TIP3 OH2 OT -0.834000 15.9994 0 1815 WT1 1586 TIP3 H1 HT 0.417000 1.0080 0 1816 WT1 1586 TIP3 H2 HT 0.417000 1.0080 0 1817 WT1 1587 TIP3 OH2 OT -0.834000 15.9994 0 1818 WT1 1587 TIP3 H1 HT 0.417000 1.0080 0 1819 WT1 1587 TIP3 H2 HT 0.417000 1.0080 0 1820 WT1 1588 TIP3 OH2 OT -0.834000 15.9994 0 1821 WT1 1588 TIP3 H1 HT 0.417000 1.0080 0 1822 WT1 1588 TIP3 H2 HT 0.417000 1.0080 0 1823 WT1 1590 TIP3 OH2 OT -0.834000 15.9994 0 1824 WT1 1590 TIP3 H1 HT 0.417000 1.0080 0 1825 WT1 1590 TIP3 H2 HT 0.417000 1.0080 0 1826 WT1 1593 TIP3 OH2 OT -0.834000 15.9994 0 1827 WT1 1593 TIP3 H1 HT 0.417000 1.0080 0 1828 WT1 1593 TIP3 H2 HT 0.417000 1.0080 0 1829 WT1 1595 TIP3 OH2 OT -0.834000 15.9994 0 1830 WT1 1595 TIP3 H1 HT 0.417000 1.0080 0 1831 WT1 1595 TIP3 H2 HT 0.417000 1.0080 0 1832 WT1 1598 TIP3 OH2 OT -0.834000 15.9994 0 1833 WT1 1598 TIP3 H1 HT 0.417000 1.0080 0 1834 WT1 1598 TIP3 H2 HT 0.417000 1.0080 0