PSF 5 !NTITLE REMARKS FILENAME="generateco.psf" REMARKS These parameters use additional atom types (14 more than in REMARKS param19x) and requires the corresponding topology file for REMARKS psf file generation. REMARKS DATE:11-Feb-96 13: 5: 1 created by user: xplor 3777 !NATOM 1 5 MET CB CH2E 0.000000E+00 14.0270 0 2 5 MET CG CH2E 0.600000E-01 14.0270 0 3 5 MET SD SM -0.120000 32.0600 0 4 5 MET CE CH3E 0.600000E-01 15.0350 0 5 5 MET C C 0.550000 12.0110 0 6 5 MET O O -0.550000 15.9994 0 7 5 MET HT1 HC 0.350000 1.00800 0 8 5 MET HT2 HC 0.350000 1.00800 0 9 5 MET N NH3 -0.300000 14.0067 0 10 5 MET HT3 HC 0.350000 1.00800 0 11 5 MET CA CH1E 0.250000 13.0190 0 12 6 PHE N NH1 -0.350000 14.0067 0 13 6 PHE H H 0.250000 1.00800 0 14 6 PHE CA CH1E 0.100000 13.0190 0 15 6 PHE CB CH2E 0.000000E+00 14.0270 0 16 6 PHE CG CF 0.000000E+00 12.0110 0 17 6 PHE CD1 CR1E 0.000000E+00 13.0190 0 18 6 PHE CD2 CR1E 0.000000E+00 13.0190 0 19 6 PHE CE1 CR1E 0.000000E+00 13.0190 0 20 6 PHE CE2 CR1E 0.000000E+00 13.0190 0 21 6 PHE CZ CR1E 0.000000E+00 13.0190 0 22 6 PHE C C 0.550000 12.0110 0 23 6 PHE O O -0.550000 15.9994 0 24 7 GLU N NH1 -0.350000 14.0067 0 25 7 GLU H H 0.250000 1.00800 0 26 7 GLU CA CH1E 0.100000 13.0190 0 27 7 GLU CB CH2E 0.000000E+00 14.0270 0 28 7 GLU CG CH2E -0.160000 14.0270 0 29 7 GLU CD C 0.360000 12.0110 0 30 7 GLU OE1 OC -0.600000 15.9994 0 31 7 GLU OE2 OC -0.600000 15.9994 0 32 7 GLU C C 0.550000 12.0110 0 33 7 GLU O O -0.550000 15.9994 0 34 8 ASN N NH1 -0.350000 14.0067 0 35 8 ASN H H 0.250000 1.00800 0 36 8 ASN CA CH1E 0.100000 13.0190 0 37 8 ASN CB CH2E 0.000000E+00 14.0270 0 38 8 ASN CG C 0.550000 12.0110 0 39 8 ASN OD1 O -0.550000 15.9994 0 40 8 ASN ND2 NH2 -0.600000 14.0067 0 41 8 ASN HD21 H 0.300000 1.00800 0 42 8 ASN HD22 H 0.300000 1.00800 0 43 8 ASN C C 0.550000 12.0110 0 44 8 ASN O O -0.550000 15.9994 0 45 9 ILE N NH1 -0.350000 14.0067 0 46 9 ILE H H 0.250000 1.00800 0 47 9 ILE CA CH1E 0.100000 13.0190 0 48 9 ILE CB CH1E 0.000000E+00 13.0190 0 49 9 ILE CG2 CH3E 0.000000E+00 15.0350 0 50 9 ILE CG1 CH2E 0.000000E+00 14.0270 0 51 9 ILE CD1 CH3E 0.000000E+00 15.0350 0 52 9 ILE C C 0.550000 12.0110 0 53 9 ILE O O -0.550000 15.9994 0 54 10 THR N NH1 -0.350000 14.0067 0 55 10 THR H H 0.250000 1.00800 0 56 10 THR CA CH1E 0.100000 13.0190 0 57 10 THR CB CH1E 0.250000 13.0190 0 58 10 THR OG1 OH1 -0.650000 15.9994 0 59 10 THR HG1 H 0.400000 1.00800 0 60 10 THR CG2 CH3E 0.000000E+00 15.0350 0 61 10 THR C C 0.550000 12.0110 0 62 10 THR O O -0.550000 15.9994 0 63 11 ALA N NH1 -0.350000 14.0067 0 64 11 ALA H H 0.250000 1.00800 0 65 11 ALA CA CH1E 0.100000 13.0190 0 66 11 ALA CB CH3E 0.000000E+00 15.0350 0 67 11 ALA C C 0.550000 12.0110 0 68 11 ALA O O -0.550000 15.9994 0 69 12 ALA N NH1 -0.350000 14.0067 0 70 12 ALA H H 0.250000 1.00800 0 71 12 ALA CA CH1E 0.100000 13.0190 0 72 12 ALA CB CH3E 0.000000E+00 15.0350 0 73 12 ALA C C 0.550000 12.0110 0 74 12 ALA O O -0.550000 15.9994 0 75 13 PRO N N -0.200000 14.0067 0 76 13 PRO CD CH2P 0.100000 14.0270 0 77 13 PRO CA CH1E 0.100000 13.0190 0 78 13 PRO CB CH2E 0.000000E+00 14.0270 0 79 13 PRO CG CH2P 0.000000E+00 14.0270 0 80 13 PRO C C 0.550000 12.0110 0 81 13 PRO O O -0.550000 15.9994 0 82 14 ALA N NH1 -0.350000 14.0067 0 83 14 ALA H H 0.250000 1.00800 0 84 14 ALA CA CH1E 0.100000 13.0190 0 85 14 ALA CB CH3E 0.000000E+00 15.0350 0 86 14 ALA C C 0.550000 12.0110 0 87 14 ALA O O -0.550000 15.9994 0 88 15 ASP N NH1 -0.350000 14.0067 0 89 15 ASP H H 0.250000 1.00800 0 90 15 ASP CA CH1E 0.100000 13.0190 0 91 15 ASP CB CH2E -0.160000 14.0270 0 92 15 ASP CG C 0.360000 12.0110 0 93 15 ASP OD1 OC -0.600000 15.9994 0 94 15 ASP OD2 OC -0.600000 15.9994 0 95 15 ASP C C 0.550000 12.0110 0 96 15 ASP O O -0.550000 15.9994 0 97 16 PRO N N -0.200000 14.0067 0 98 16 PRO CD CH2P 0.100000 14.0270 0 99 16 PRO CA CH1E 0.100000 13.0190 0 100 16 PRO CB CH2E 0.000000E+00 14.0270 0 101 16 PRO CG CH2P 0.000000E+00 14.0270 0 102 16 PRO C C 0.550000 12.0110 0 103 16 PRO O O -0.550000 15.9994 0 104 17 ILE N NH1 -0.350000 14.0067 0 105 17 ILE H H 0.250000 1.00800 0 106 17 ILE CA CH1E 0.100000 13.0190 0 107 17 ILE CB CH1E 0.000000E+00 13.0190 0 108 17 ILE CG2 CH3E 0.000000E+00 15.0350 0 109 17 ILE CG1 CH2E 0.000000E+00 14.0270 0 110 17 ILE CD1 CH3E 0.000000E+00 15.0350 0 111 17 ILE C C 0.550000 12.0110 0 112 17 ILE O O -0.550000 15.9994 0 113 18 LEU N NH1 -0.350000 14.0067 0 114 18 LEU H H 0.250000 1.00800 0 115 18 LEU CA CH1E 0.100000 13.0190 0 116 18 LEU CB CH2E 0.000000E+00 14.0270 0 117 18 LEU CG CH1E 0.000000E+00 13.0190 0 118 18 LEU CD1 CH3E 0.000000E+00 15.0350 0 119 18 LEU CD2 CH3E 0.000000E+00 15.0350 0 120 18 LEU C C 0.550000 12.0110 0 121 18 LEU O O -0.550000 15.9994 0 122 19 GLY N NH1 -0.350000 14.0067 0 123 19 GLY H H 0.250000 1.00800 0 124 19 GLY CA CH2G 0.100000 14.0270 0 125 19 GLY C C 0.550000 12.0110 0 126 19 GLY O O -0.550000 15.9994 0 127 20 LEU N NH1 -0.350000 14.0067 0 128 20 LEU H H 0.250000 1.00800 0 129 20 LEU CA CH1E 0.100000 13.0190 0 130 20 LEU CB CH2E 0.000000E+00 14.0270 0 131 20 LEU CG CH1E 0.000000E+00 13.0190 0 132 20 LEU CD1 CH3E 0.000000E+00 15.0350 0 133 20 LEU CD2 CH3E 0.000000E+00 15.0350 0 134 20 LEU C C 0.550000 12.0110 0 135 20 LEU O O -0.550000 15.9994 0 136 21 ALA N NH1 -0.350000 14.0067 0 137 21 ALA H H 0.250000 1.00800 0 138 21 ALA CA CH1E 0.100000 13.0190 0 139 21 ALA CB CH3E 0.000000E+00 15.0350 0 140 21 ALA C C 0.550000 12.0110 0 141 21 ALA O O -0.550000 15.9994 0 142 22 ASP N NH1 -0.350000 14.0067 0 143 22 ASP H H 0.250000 1.00800 0 144 22 ASP CA CH1E 0.100000 13.0190 0 145 22 ASP CB CH2E -0.160000 14.0270 0 146 22 ASP CG C 0.360000 12.0110 0 147 22 ASP OD1 OC -0.600000 15.9994 0 148 22 ASP OD2 OC -0.600000 15.9994 0 149 22 ASP C C 0.550000 12.0110 0 150 22 ASP O O -0.550000 15.9994 0 151 23 LEU N NH1 -0.350000 14.0067 0 152 23 LEU H H 0.250000 1.00800 0 153 23 LEU CA CH1E 0.100000 13.0190 0 154 23 LEU CB CH2E 0.000000E+00 14.0270 0 155 23 LEU CG CH1E 0.000000E+00 13.0190 0 156 23 LEU CD1 CH3E 0.000000E+00 15.0350 0 157 23 LEU CD2 CH3E 0.000000E+00 15.0350 0 158 23 LEU C C 0.550000 12.0110 0 159 23 LEU O O -0.550000 15.9994 0 160 24 PHE N NH1 -0.350000 14.0067 0 161 24 PHE H H 0.250000 1.00800 0 162 24 PHE CA CH1E 0.100000 13.0190 0 163 24 PHE CB CH2E 0.000000E+00 14.0270 0 164 24 PHE CG CF 0.000000E+00 12.0110 0 165 24 PHE CD1 CR1E 0.000000E+00 13.0190 0 166 24 PHE CD2 CR1E 0.000000E+00 13.0190 0 167 24 PHE CE1 CR1E 0.000000E+00 13.0190 0 168 24 PHE CE2 CR1E 0.000000E+00 13.0190 0 169 24 PHE CZ CR1E 0.000000E+00 13.0190 0 170 24 PHE C C 0.550000 12.0110 0 171 24 PHE O O -0.550000 15.9994 0 172 25 ARG N NH1 -0.350000 14.0067 0 173 25 ARG H H 0.250000 1.00800 0 174 25 ARG CA CH1E 0.100000 13.0190 0 175 25 ARG CB CH2E 0.000000E+00 14.0270 0 176 25 ARG CG CH2E 0.000000E+00 14.0270 0 177 25 ARG CD CH2E 0.100000 14.0270 0 178 25 ARG NE NH1 -0.400000 14.0067 0 179 25 ARG HE H 0.300000 1.00800 0 180 25 ARG CZ C 0.500000 12.0110 0 181 25 ARG NH1 NC2 -0.450000 14.0067 0 182 25 ARG HH11 HC 0.350000 1.00800 0 183 25 ARG HH12 HC 0.350000 1.00800 0 184 25 ARG NH2 NC2 -0.450000 14.0067 0 185 25 ARG HH21 HC 0.350000 1.00800 0 186 25 ARG HH22 HC 0.350000 1.00800 0 187 25 ARG C C 0.550000 12.0110 0 188 25 ARG O O -0.550000 15.9994 0 189 26 ALA N NH1 -0.350000 14.0067 0 190 26 ALA H H 0.250000 1.00800 0 191 26 ALA CA CH1E 0.100000 13.0190 0 192 26 ALA CB CH3E 0.000000E+00 15.0350 0 193 26 ALA C C 0.550000 12.0110 0 194 26 ALA O O -0.550000 15.9994 0 195 27 ASP N NH1 -0.350000 14.0067 0 196 27 ASP H H 0.250000 1.00800 0 197 27 ASP CA CH1E 0.100000 13.0190 0 198 27 ASP CB CH2E -0.160000 14.0270 0 199 27 ASP CG C 0.360000 12.0110 0 200 27 ASP OD1 OC -0.600000 15.9994 0 201 27 ASP OD2 OC -0.600000 15.9994 0 202 27 ASP C C 0.550000 12.0110 0 203 27 ASP O O -0.550000 15.9994 0 204 28 GLU N NH1 -0.350000 14.0067 0 205 28 GLU H H 0.250000 1.00800 0 206 28 GLU CA CH1E 0.100000 13.0190 0 207 28 GLU CB CH2E 0.000000E+00 14.0270 0 208 28 GLU CG CH2E -0.160000 14.0270 0 209 28 GLU CD C 0.360000 12.0110 0 210 28 GLU OE1 OC -0.600000 15.9994 0 211 28 GLU OE2 OC -0.600000 15.9994 0 212 28 GLU C C 0.550000 12.0110 0 213 28 GLU O O -0.550000 15.9994 0 214 29 ARG N NH1 -0.350000 14.0067 0 215 29 ARG H H 0.250000 1.00800 0 216 29 ARG CA CH1E 0.100000 13.0190 0 217 29 ARG CB CH2E 0.000000E+00 14.0270 0 218 29 ARG CG CH2E 0.000000E+00 14.0270 0 219 29 ARG CD CH2E 0.100000 14.0270 0 220 29 ARG NE NH1 -0.400000 14.0067 0 221 29 ARG HE H 0.300000 1.00800 0 222 29 ARG CZ C 0.500000 12.0110 0 223 29 ARG NH1 NC2 -0.450000 14.0067 0 224 29 ARG HH11 HC 0.350000 1.00800 0 225 29 ARG HH12 HC 0.350000 1.00800 0 226 29 ARG NH2 NC2 -0.450000 14.0067 0 227 29 ARG HH21 HC 0.350000 1.00800 0 228 29 ARG HH22 HC 0.350000 1.00800 0 229 29 ARG C C 0.550000 12.0110 0 230 29 ARG O O -0.550000 15.9994 0 231 30 PRO N N -0.200000 14.0067 0 232 30 PRO CD CH2P 0.100000 14.0270 0 233 30 PRO CA CH1E 0.100000 13.0190 0 234 30 PRO CB CH2E 0.000000E+00 14.0270 0 235 30 PRO CG CH2P 0.000000E+00 14.0270 0 236 30 PRO C C 0.550000 12.0110 0 237 30 PRO O O -0.550000 15.9994 0 238 31 GLY N NH1 -0.350000 14.0067 0 239 31 GLY H H 0.250000 1.00800 0 240 31 GLY CA CH2G 0.100000 14.0270 0 241 31 GLY C C 0.550000 12.0110 0 242 31 GLY O O -0.550000 15.9994 0 243 32 LYS N NH1 -0.350000 14.0067 0 244 32 LYS H H 0.250000 1.00800 0 245 32 LYS CA CH1E 0.100000 13.0190 0 246 32 LYS CB CH2E 0.000000E+00 14.0270 0 247 32 LYS CG CH2E 0.000000E+00 14.0270 0 248 32 LYS CD CH2E 0.000000E+00 14.0270 0 249 32 LYS CE CH2E 0.250000 14.0270 0 250 32 LYS NZ NH3 -0.300000 14.0067 0 251 32 LYS HZ1 HC 0.350000 1.00800 0 252 32 LYS HZ2 HC 0.350000 1.00800 0 253 32 LYS HZ3 HC 0.350000 1.00800 0 254 32 LYS C C 0.550000 12.0110 0 255 32 LYS O O -0.550000 15.9994 0 256 33 ILE N NH1 -0.350000 14.0067 0 257 33 ILE H H 0.250000 1.00800 0 258 33 ILE CA CH1E 0.100000 13.0190 0 259 33 ILE CB CH1E 0.000000E+00 13.0190 0 260 33 ILE CG2 CH3E 0.000000E+00 15.0350 0 261 33 ILE CG1 CH2E 0.000000E+00 14.0270 0 262 33 ILE CD1 CH3E 0.000000E+00 15.0350 0 263 33 ILE C C 0.550000 12.0110 0 264 33 ILE O O -0.550000 15.9994 0 265 34 ASN N NH1 -0.350000 14.0067 0 266 34 ASN H H 0.250000 1.00800 0 267 34 ASN CA CH1E 0.100000 13.0190 0 268 34 ASN CB CH2E 0.000000E+00 14.0270 0 269 34 ASN CG C 0.550000 12.0110 0 270 34 ASN OD1 O -0.550000 15.9994 0 271 34 ASN ND2 NH2 -0.600000 14.0067 0 272 34 ASN HD21 H 0.300000 1.00800 0 273 34 ASN HD22 H 0.300000 1.00800 0 274 34 ASN C C 0.550000 12.0110 0 275 34 ASN O O -0.550000 15.9994 0 276 35 LEU N NH1 -0.350000 14.0067 0 277 35 LEU H H 0.250000 1.00800 0 278 35 LEU CA CH1E 0.100000 13.0190 0 279 35 LEU CB CH2E 0.000000E+00 14.0270 0 280 35 LEU CG CH1E 0.000000E+00 13.0190 0 281 35 LEU CD1 CH3E 0.000000E+00 15.0350 0 282 35 LEU CD2 CH3E 0.000000E+00 15.0350 0 283 35 LEU C C 0.550000 12.0110 0 284 35 LEU O O -0.550000 15.9994 0 285 36 GLY N NH1 -0.350000 14.0067 0 286 36 GLY H H 0.250000 1.00800 0 287 36 GLY CA CH2G 0.100000 14.0270 0 288 36 GLY C C 0.550000 12.0110 0 289 36 GLY O O -0.550000 15.9994 0 290 37 ILE N NH1 -0.350000 14.0067 0 291 37 ILE H H 0.250000 1.00800 0 292 37 ILE CA CH1E 0.100000 13.0190 0 293 37 ILE CB CH1E 0.000000E+00 13.0190 0 294 37 ILE CG2 CH3E 0.000000E+00 15.0350 0 295 37 ILE CG1 CH2E 0.000000E+00 14.0270 0 296 37 ILE CD1 CH3E 0.000000E+00 15.0350 0 297 37 ILE C C 0.550000 12.0110 0 298 37 ILE O O -0.550000 15.9994 0 299 38 GLY N NH1 -0.350000 14.0067 0 300 38 GLY H H 0.250000 1.00800 0 301 38 GLY CA CH2G 0.100000 14.0270 0 302 38 GLY C C 0.550000 12.0110 0 303 38 GLY O O -0.550000 15.9994 0 304 39 VAL N NH1 -0.350000 14.0067 0 305 39 VAL H H 0.250000 1.00800 0 306 39 VAL CA CH1E 0.100000 13.0190 0 307 39 VAL CB CH1E 0.000000E+00 13.0190 0 308 39 VAL CG1 CH3E 0.000000E+00 15.0350 0 309 39 VAL CG2 CH3E 0.000000E+00 15.0350 0 310 39 VAL C C 0.550000 12.0110 0 311 39 VAL O O -0.550000 15.9994 0 312 40 TYR N NH1 -0.350000 14.0067 0 313 40 TYR H H 0.250000 1.00800 0 314 40 TYR CA CH1E 0.100000 13.0190 0 315 40 TYR CB CH2E 0.000000E+00 14.0270 0 316 40 TYR CG CY 0.000000E+00 12.0110 0 317 40 TYR CD1 CR1E 0.000000E+00 13.0190 0 318 40 TYR CE1 CR1E 0.000000E+00 13.0190 0 319 40 TYR CD2 CR1E 0.000000E+00 13.0190 0 320 40 TYR CE2 CR1E 0.000000E+00 13.0190 0 321 40 TYR CZ CY2 0.250000 12.0110 0 322 40 TYR OH OH1 -0.650000 15.9994 0 323 40 TYR HH H 0.400000 1.00800 0 324 40 TYR C C 0.550000 12.0110 0 325 40 TYR O O -0.550000 15.9994 0 326 41 LYS N NH1 -0.350000 14.0067 0 327 41 LYS H H 0.250000 1.00800 0 328 41 LYS CA CH1E 0.100000 13.0190 0 329 41 LYS CB CH2E 0.000000E+00 14.0270 0 330 41 LYS CG CH2E 0.000000E+00 14.0270 0 331 41 LYS CD CH2E 0.000000E+00 14.0270 0 332 41 LYS CE CH2E 0.250000 14.0270 0 333 41 LYS NZ NH3 -0.300000 14.0067 0 334 41 LYS HZ1 HC 0.350000 1.00800 0 335 41 LYS HZ2 HC 0.350000 1.00800 0 336 41 LYS HZ3 HC 0.350000 1.00800 0 337 41 LYS C C 0.550000 12.0110 0 338 41 LYS O O -0.550000 15.9994 0 339 42 ASP N NH1 -0.350000 14.0067 0 340 42 ASP H H 0.250000 1.00800 0 341 42 ASP CA CH1E 0.100000 13.0190 0 342 42 ASP CB CH2E -0.160000 14.0270 0 343 42 ASP CG C 0.360000 12.0110 0 344 42 ASP OD1 OC -0.600000 15.9994 0 345 42 ASP OD2 OC -0.600000 15.9994 0 346 42 ASP C C 0.550000 12.0110 0 347 42 ASP O O -0.550000 15.9994 0 348 43 GLU N NH1 -0.350000 14.0067 0 349 43 GLU H H 0.250000 1.00800 0 350 43 GLU CA CH1E 0.100000 13.0190 0 351 43 GLU CB CH2E 0.000000E+00 14.0270 0 352 43 GLU CG CH2E -0.160000 14.0270 0 353 43 GLU CD C 0.360000 12.0110 0 354 43 GLU OE1 OC -0.600000 15.9994 0 355 43 GLU OE2 OC -0.600000 15.9994 0 356 43 GLU C C 0.550000 12.0110 0 357 43 GLU O O -0.550000 15.9994 0 358 44 THR N NH1 -0.350000 14.0067 0 359 44 THR H H 0.250000 1.00800 0 360 44 THR CA CH1E 0.100000 13.0190 0 361 44 THR CB CH1E 0.250000 13.0190 0 362 44 THR OG1 OH1 -0.650000 15.9994 0 363 44 THR HG1 H 0.400000 1.00800 0 364 44 THR CG2 CH3E 0.000000E+00 15.0350 0 365 44 THR C C 0.550000 12.0110 0 366 44 THR O O -0.550000 15.9994 0 367 45 GLY N NH1 -0.350000 14.0067 0 368 45 GLY H H 0.250000 1.00800 0 369 45 GLY CA CH2G 0.100000 14.0270 0 370 45 GLY C C 0.550000 12.0110 0 371 45 GLY O O -0.550000 15.9994 0 372 46 LYS N NH1 -0.350000 14.0067 0 373 46 LYS H H 0.250000 1.00800 0 374 46 LYS CA CH1E 0.100000 13.0190 0 375 46 LYS CB CH2E 0.000000E+00 14.0270 0 376 46 LYS CG CH2E 0.000000E+00 14.0270 0 377 46 LYS CD CH2E 0.000000E+00 14.0270 0 378 46 LYS CE CH2E 0.250000 14.0270 0 379 46 LYS NZ NH3 -0.300000 14.0067 0 380 46 LYS HZ1 HC 0.350000 1.00800 0 381 46 LYS HZ2 HC 0.350000 1.00800 0 382 46 LYS HZ3 HC 0.350000 1.00800 0 383 46 LYS C C 0.550000 12.0110 0 384 46 LYS O O -0.550000 15.9994 0 385 47 THR N NH1 -0.350000 14.0067 0 386 47 THR H H 0.250000 1.00800 0 387 47 THR CA CH1E 0.100000 13.0190 0 388 47 THR CB CH1E 0.250000 13.0190 0 389 47 THR OG1 OH1 -0.650000 15.9994 0 390 47 THR HG1 H 0.400000 1.00800 0 391 47 THR CG2 CH3E 0.000000E+00 15.0350 0 392 47 THR C C 0.550000 12.0110 0 393 47 THR O O -0.550000 15.9994 0 394 48 PRO N N -0.200000 14.0067 0 395 48 PRO CD CH2P 0.100000 14.0270 0 396 48 PRO CA CH1E 0.100000 13.0190 0 397 48 PRO CB CH2E 0.000000E+00 14.0270 0 398 48 PRO CG CH2P 0.000000E+00 14.0270 0 399 48 PRO C C 0.550000 12.0110 0 400 48 PRO O O -0.550000 15.9994 0 401 49 VAL N NH1 -0.350000 14.0067 0 402 49 VAL H H 0.250000 1.00800 0 403 49 VAL CA CH1E 0.100000 13.0190 0 404 49 VAL CB CH1E 0.000000E+00 13.0190 0 405 49 VAL CG1 CH3E 0.000000E+00 15.0350 0 406 49 VAL CG2 CH3E 0.000000E+00 15.0350 0 407 49 VAL C C 0.550000 12.0110 0 408 49 VAL O O -0.550000 15.9994 0 409 50 LEU N NH1 -0.350000 14.0067 0 410 50 LEU H H 0.250000 1.00800 0 411 50 LEU CA CH1E 0.100000 13.0190 0 412 50 LEU CB CH2E 0.000000E+00 14.0270 0 413 50 LEU CG CH1E 0.000000E+00 13.0190 0 414 50 LEU CD1 CH3E 0.000000E+00 15.0350 0 415 50 LEU CD2 CH3E 0.000000E+00 15.0350 0 416 50 LEU C C 0.550000 12.0110 0 417 50 LEU O O -0.550000 15.9994 0 418 51 THR N NH1 -0.350000 14.0067 0 419 51 THR H H 0.250000 1.00800 0 420 51 THR CA CH1E 0.100000 13.0190 0 421 51 THR CB CH1E 0.250000 13.0190 0 422 51 THR OG1 OH1 -0.650000 15.9994 0 423 51 THR HG1 H 0.400000 1.00800 0 424 51 THR CG2 CH3E 0.000000E+00 15.0350 0 425 51 THR C C 0.550000 12.0110 0 426 51 THR O O -0.550000 15.9994 0 427 52 SER N NH1 -0.350000 14.0067 0 428 52 SER H H 0.250000 1.00800 0 429 52 SER CA CH1E 0.100000 13.0190 0 430 52 SER CB CH2E 0.250000 14.0270 0 431 52 SER OG OH1 -0.650000 15.9994 0 432 52 SER HG H 0.400000 1.00800 0 433 52 SER C C 0.550000 12.0110 0 434 52 SER O O -0.550000 15.9994 0 435 53 VAL N NH1 -0.350000 14.0067 0 436 53 VAL H H 0.250000 1.00800 0 437 53 VAL CA CH1E 0.100000 13.0190 0 438 53 VAL CB CH1E 0.000000E+00 13.0190 0 439 53 VAL CG1 CH3E 0.000000E+00 15.0350 0 440 53 VAL CG2 CH3E 0.000000E+00 15.0350 0 441 53 VAL C C 0.550000 12.0110 0 442 53 VAL O O -0.550000 15.9994 0 443 54 LYS N NH1 -0.350000 14.0067 0 444 54 LYS H H 0.250000 1.00800 0 445 54 LYS CA CH1E 0.100000 13.0190 0 446 54 LYS CB CH2E 0.000000E+00 14.0270 0 447 54 LYS CG CH2E 0.000000E+00 14.0270 0 448 54 LYS CD CH2E 0.000000E+00 14.0270 0 449 54 LYS CE CH2E 0.250000 14.0270 0 450 54 LYS NZ NH3 -0.300000 14.0067 0 451 54 LYS HZ1 HC 0.350000 1.00800 0 452 54 LYS HZ2 HC 0.350000 1.00800 0 453 54 LYS HZ3 HC 0.350000 1.00800 0 454 54 LYS C C 0.550000 12.0110 0 455 54 LYS O O -0.550000 15.9994 0 456 55 LYS N NH1 -0.350000 14.0067 0 457 55 LYS H H 0.250000 1.00800 0 458 55 LYS CA CH1E 0.100000 13.0190 0 459 55 LYS CB CH2E 0.000000E+00 14.0270 0 460 55 LYS CG CH2E 0.000000E+00 14.0270 0 461 55 LYS CD CH2E 0.000000E+00 14.0270 0 462 55 LYS CE CH2E 0.250000 14.0270 0 463 55 LYS NZ NH3 -0.300000 14.0067 0 464 55 LYS HZ1 HC 0.350000 1.00800 0 465 55 LYS HZ2 HC 0.350000 1.00800 0 466 55 LYS HZ3 HC 0.350000 1.00800 0 467 55 LYS C C 0.550000 12.0110 0 468 55 LYS O O -0.550000 15.9994 0 469 56 ALA N NH1 -0.350000 14.0067 0 470 56 ALA H H 0.250000 1.00800 0 471 56 ALA CA CH1E 0.100000 13.0190 0 472 56 ALA CB CH3E 0.000000E+00 15.0350 0 473 56 ALA C C 0.550000 12.0110 0 474 56 ALA O O -0.550000 15.9994 0 475 57 GLU N NH1 -0.350000 14.0067 0 476 57 GLU H H 0.250000 1.00800 0 477 57 GLU CA CH1E 0.100000 13.0190 0 478 57 GLU CB CH2E 0.000000E+00 14.0270 0 479 57 GLU CG CH2E -0.160000 14.0270 0 480 57 GLU CD C 0.360000 12.0110 0 481 57 GLU OE1 OC -0.600000 15.9994 0 482 57 GLU OE2 OC -0.600000 15.9994 0 483 57 GLU C C 0.550000 12.0110 0 484 57 GLU O O -0.550000 15.9994 0 485 58 GLN N NH1 -0.350000 14.0067 0 486 58 GLN H H 0.250000 1.00800 0 487 58 GLN CA CH1E 0.100000 13.0190 0 488 58 GLN CB CH2E 0.000000E+00 14.0270 0 489 58 GLN CG CH2E 0.000000E+00 14.0270 0 490 58 GLN CD C 0.550000 12.0110 0 491 58 GLN OE1 O -0.550000 15.9994 0 492 58 GLN NE2 NH2 -0.600000 14.0067 0 493 58 GLN HE21 H 0.300000 1.00800 0 494 58 GLN HE22 H 0.300000 1.00800 0 495 58 GLN C C 0.550000 12.0110 0 496 58 GLN O O -0.550000 15.9994 0 497 59 TYR N NH1 -0.350000 14.0067 0 498 59 TYR H H 0.250000 1.00800 0 499 59 TYR CA CH1E 0.100000 13.0190 0 500 59 TYR CB CH2E 0.000000E+00 14.0270 0 501 59 TYR CG CY 0.000000E+00 12.0110 0 502 59 TYR CD1 CR1E 0.000000E+00 13.0190 0 503 59 TYR CE1 CR1E 0.000000E+00 13.0190 0 504 59 TYR CD2 CR1E 0.000000E+00 13.0190 0 505 59 TYR CE2 CR1E 0.000000E+00 13.0190 0 506 59 TYR CZ CY2 0.250000 12.0110 0 507 59 TYR OH OH1 -0.650000 15.9994 0 508 59 TYR HH H 0.400000 1.00800 0 509 59 TYR C C 0.550000 12.0110 0 510 59 TYR O O -0.550000 15.9994 0 511 60 LEU N NH1 -0.350000 14.0067 0 512 60 LEU H H 0.250000 1.00800 0 513 60 LEU CA CH1E 0.100000 13.0190 0 514 60 LEU CB CH2E 0.000000E+00 14.0270 0 515 60 LEU CG CH1E 0.000000E+00 13.0190 0 516 60 LEU CD1 CH3E 0.000000E+00 15.0350 0 517 60 LEU CD2 CH3E 0.000000E+00 15.0350 0 518 60 LEU C C 0.550000 12.0110 0 519 60 LEU O O -0.550000 15.9994 0 520 61 LEU N NH1 -0.350000 14.0067 0 521 61 LEU H H 0.250000 1.00800 0 522 61 LEU CA CH1E 0.100000 13.0190 0 523 61 LEU CB CH2E 0.000000E+00 14.0270 0 524 61 LEU CG CH1E 0.000000E+00 13.0190 0 525 61 LEU CD1 CH3E 0.000000E+00 15.0350 0 526 61 LEU CD2 CH3E 0.000000E+00 15.0350 0 527 61 LEU C C 0.550000 12.0110 0 528 61 LEU O O -0.550000 15.9994 0 529 62 GLU N NH1 -0.350000 14.0067 0 530 62 GLU H H 0.250000 1.00800 0 531 62 GLU CA CH1E 0.100000 13.0190 0 532 62 GLU CB CH2E 0.000000E+00 14.0270 0 533 62 GLU CG CH2E -0.160000 14.0270 0 534 62 GLU CD C 0.360000 12.0110 0 535 62 GLU OE1 OC -0.600000 15.9994 0 536 62 GLU OE2 OC -0.600000 15.9994 0 537 62 GLU C C 0.550000 12.0110 0 538 62 GLU O O -0.550000 15.9994 0 539 63 ASN N NH1 -0.350000 14.0067 0 540 63 ASN H H 0.250000 1.00800 0 541 63 ASN CA CH1E 0.100000 13.0190 0 542 63 ASN CB CH2E 0.000000E+00 14.0270 0 543 63 ASN CG C 0.550000 12.0110 0 544 63 ASN OD1 O -0.550000 15.9994 0 545 63 ASN ND2 NH2 -0.600000 14.0067 0 546 63 ASN HD21 H 0.300000 1.00800 0 547 63 ASN HD22 H 0.300000 1.00800 0 548 63 ASN C C 0.550000 12.0110 0 549 63 ASN O O -0.550000 15.9994 0 550 64 GLU N NH1 -0.350000 14.0067 0 551 64 GLU H H 0.250000 1.00800 0 552 64 GLU CA CH1E 0.100000 13.0190 0 553 64 GLU CB CH2E 0.000000E+00 14.0270 0 554 64 GLU CG CH2E -0.160000 14.0270 0 555 64 GLU CD C 0.360000 12.0110 0 556 64 GLU OE1 OC -0.600000 15.9994 0 557 64 GLU OE2 OC -0.600000 15.9994 0 558 64 GLU C C 0.550000 12.0110 0 559 64 GLU O O -0.550000 15.9994 0 560 66 THR N NH1 -0.350000 14.0067 0 561 66 THR H H 0.250000 1.00800 0 562 66 THR CA CH1E 0.100000 13.0190 0 563 66 THR CB CH1E 0.250000 13.0190 0 564 66 THR OG1 OH1 -0.650000 15.9994 0 565 66 THR HG1 H 0.400000 1.00800 0 566 66 THR CG2 CH3E 0.000000E+00 15.0350 0 567 66 THR C C 0.550000 12.0110 0 568 66 THR O O -0.550000 15.9994 0 569 67 THR N NH1 -0.350000 14.0067 0 570 67 THR H H 0.250000 1.00800 0 571 67 THR CA CH1E 0.100000 13.0190 0 572 67 THR CB CH1E 0.250000 13.0190 0 573 67 THR OG1 OH1 -0.650000 15.9994 0 574 67 THR HG1 H 0.400000 1.00800 0 575 67 THR CG2 CH3E 0.000000E+00 15.0350 0 576 67 THR C C 0.550000 12.0110 0 577 67 THR O O -0.550000 15.9994 0 578 68 LYS N NH1 -0.350000 14.0067 0 579 68 LYS H H 0.250000 1.00800 0 580 68 LYS CA CH1E 0.100000 13.0190 0 581 68 LYS CB CH2E 0.000000E+00 14.0270 0 582 68 LYS CG CH2E 0.000000E+00 14.0270 0 583 68 LYS CD CH2E 0.000000E+00 14.0270 0 584 68 LYS CE CH2E 0.250000 14.0270 0 585 68 LYS NZ NH3 -0.300000 14.0067 0 586 68 LYS HZ1 HC 0.350000 1.00800 0 587 68 LYS HZ2 HC 0.350000 1.00800 0 588 68 LYS HZ3 HC 0.350000 1.00800 0 589 68 LYS C C 0.550000 12.0110 0 590 68 LYS O O -0.550000 15.9994 0 591 69 ASN N NH1 -0.350000 14.0067 0 592 69 ASN H H 0.250000 1.00800 0 593 69 ASN CA CH1E 0.100000 13.0190 0 594 69 ASN CB CH2E 0.000000E+00 14.0270 0 595 69 ASN CG C 0.550000 12.0110 0 596 69 ASN OD1 O -0.550000 15.9994 0 597 69 ASN ND2 NH2 -0.600000 14.0067 0 598 69 ASN HD21 H 0.300000 1.00800 0 599 69 ASN HD22 H 0.300000 1.00800 0 600 69 ASN C C 0.550000 12.0110 0 601 69 ASN O O -0.550000 15.9994 0 602 70 TYR N NH1 -0.350000 14.0067 0 603 70 TYR H H 0.250000 1.00800 0 604 70 TYR CA CH1E 0.100000 13.0190 0 605 70 TYR CB CH2E 0.000000E+00 14.0270 0 606 70 TYR CG CY 0.000000E+00 12.0110 0 607 70 TYR CD1 CR1E 0.000000E+00 13.0190 0 608 70 TYR CE1 CR1E 0.000000E+00 13.0190 0 609 70 TYR CD2 CR1E 0.000000E+00 13.0190 0 610 70 TYR CE2 CR1E 0.000000E+00 13.0190 0 611 70 TYR CZ CY2 0.250000 12.0110 0 612 70 TYR OH OH1 -0.650000 15.9994 0 613 70 TYR HH H 0.400000 1.00800 0 614 70 TYR C C 0.550000 12.0110 0 615 70 TYR O O -0.550000 15.9994 0 616 71 LEU N NH1 -0.350000 14.0067 0 617 71 LEU H H 0.250000 1.00800 0 618 71 LEU CA CH1E 0.100000 13.0190 0 619 71 LEU CB CH2E 0.000000E+00 14.0270 0 620 71 LEU CG CH1E 0.000000E+00 13.0190 0 621 71 LEU CD1 CH3E 0.000000E+00 15.0350 0 622 71 LEU CD2 CH3E 0.000000E+00 15.0350 0 623 71 LEU C C 0.550000 12.0110 0 624 71 LEU O O -0.550000 15.9994 0 625 72 GLY N NH1 -0.350000 14.0067 0 626 72 GLY H H 0.250000 1.00800 0 627 72 GLY CA CH2G 0.100000 14.0270 0 628 72 GLY C C 0.550000 12.0110 0 629 72 GLY O O -0.550000 15.9994 0 630 73 ILE N NH1 -0.350000 14.0067 0 631 73 ILE H H 0.250000 1.00800 0 632 73 ILE CA CH1E 0.100000 13.0190 0 633 73 ILE CB CH1E 0.000000E+00 13.0190 0 634 73 ILE CG2 CH3E 0.000000E+00 15.0350 0 635 73 ILE CG1 CH2E 0.000000E+00 14.0270 0 636 73 ILE CD1 CH3E 0.000000E+00 15.0350 0 637 73 ILE C C 0.550000 12.0110 0 638 73 ILE O O -0.550000 15.9994 0 639 74 ASP N NH1 -0.350000 14.0067 0 640 74 ASP H H 0.250000 1.00800 0 641 74 ASP CA CH1E 0.100000 13.0190 0 642 74 ASP CB CH2E -0.160000 14.0270 0 643 74 ASP CG C 0.360000 12.0110 0 644 74 ASP OD1 OC -0.600000 15.9994 0 645 74 ASP OD2 OC -0.600000 15.9994 0 646 74 ASP C C 0.550000 12.0110 0 647 74 ASP O O -0.550000 15.9994 0 648 75 GLY N NH1 -0.350000 14.0067 0 649 75 GLY H H 0.250000 1.00800 0 650 75 GLY CA CH2G 0.100000 14.0270 0 651 75 GLY C C 0.550000 12.0110 0 652 75 GLY O O -0.550000 15.9994 0 653 76 ILE N NH1 -0.350000 14.0067 0 654 76 ILE H H 0.250000 1.00800 0 655 76 ILE CA CH1E 0.100000 13.0190 0 656 76 ILE CB CH1E 0.000000E+00 13.0190 0 657 76 ILE CG2 CH3E 0.000000E+00 15.0350 0 658 76 ILE CG1 CH2E 0.000000E+00 14.0270 0 659 76 ILE CD1 CH3E 0.000000E+00 15.0350 0 660 76 ILE C C 0.550000 12.0110 0 661 76 ILE O O -0.550000 15.9994 0 662 77 PRO N N -0.200000 14.0067 0 663 77 PRO CD CH2P 0.100000 14.0270 0 664 77 PRO CA CH1E 0.100000 13.0190 0 665 77 PRO CB CH2E 0.000000E+00 14.0270 0 666 77 PRO CG CH2P 0.000000E+00 14.0270 0 667 77 PRO C C 0.550000 12.0110 0 668 77 PRO O O -0.550000 15.9994 0 669 78 GLU N NH1 -0.350000 14.0067 0 670 78 GLU H H 0.250000 1.00800 0 671 78 GLU CA CH1E 0.100000 13.0190 0 672 78 GLU CB CH2E 0.000000E+00 14.0270 0 673 78 GLU CG CH2E -0.160000 14.0270 0 674 78 GLU CD C 0.360000 12.0110 0 675 78 GLU OE1 OC -0.600000 15.9994 0 676 78 GLU OE2 OC -0.600000 15.9994 0 677 78 GLU C C 0.550000 12.0110 0 678 78 GLU O O -0.550000 15.9994 0 679 79 PHE N NH1 -0.350000 14.0067 0 680 79 PHE H H 0.250000 1.00800 0 681 79 PHE CA CH1E 0.100000 13.0190 0 682 79 PHE CB CH2E 0.000000E+00 14.0270 0 683 79 PHE CG CF 0.000000E+00 12.0110 0 684 79 PHE CD1 CR1E 0.000000E+00 13.0190 0 685 79 PHE CD2 CR1E 0.000000E+00 13.0190 0 686 79 PHE CE1 CR1E 0.000000E+00 13.0190 0 687 79 PHE CE2 CR1E 0.000000E+00 13.0190 0 688 79 PHE CZ CR1E 0.000000E+00 13.0190 0 689 79 PHE C C 0.550000 12.0110 0 690 79 PHE O O -0.550000 15.9994 0 691 80 GLY N NH1 -0.350000 14.0067 0 692 80 GLY H H 0.250000 1.00800 0 693 80 GLY CA CH2G 0.100000 14.0270 0 694 80 GLY C C 0.550000 12.0110 0 695 80 GLY O O -0.550000 15.9994 0 696 81 ARG N NH1 -0.350000 14.0067 0 697 81 ARG H H 0.250000 1.00800 0 698 81 ARG CA CH1E 0.100000 13.0190 0 699 81 ARG CB CH2E 0.000000E+00 14.0270 0 700 81 ARG CG CH2E 0.000000E+00 14.0270 0 701 81 ARG CD CH2E 0.100000 14.0270 0 702 81 ARG NE NH1 -0.400000 14.0067 0 703 81 ARG HE H 0.300000 1.00800 0 704 81 ARG CZ C 0.500000 12.0110 0 705 81 ARG NH1 NC2 -0.450000 14.0067 0 706 81 ARG HH11 HC 0.350000 1.00800 0 707 81 ARG HH12 HC 0.350000 1.00800 0 708 81 ARG NH2 NC2 -0.450000 14.0067 0 709 81 ARG HH21 HC 0.350000 1.00800 0 710 81 ARG HH22 HC 0.350000 1.00800 0 711 81 ARG C C 0.550000 12.0110 0 712 81 ARG O O -0.550000 15.9994 0 713 82 CYS N NH1 -0.350000 14.0067 0 714 82 CYS H H 0.250000 1.00800 0 715 82 CYS CA CH1E 0.100000 13.0190 0 716 82 CYS CB CH2E 0.190000 14.0270 0 717 82 CYS SG SH1E -0.190000 33.0680 0 718 82 CYS C C 0.550000 12.0110 0 719 82 CYS O O -0.550000 15.9994 0 720 83 THR N NH1 -0.350000 14.0067 0 721 83 THR H H 0.250000 1.00800 0 722 83 THR CA CH1E 0.100000 13.0190 0 723 83 THR CB CH1E 0.250000 13.0190 0 724 83 THR OG1 OH1 -0.650000 15.9994 0 725 83 THR HG1 H 0.400000 1.00800 0 726 83 THR CG2 CH3E 0.000000E+00 15.0350 0 727 83 THR C C 0.550000 12.0110 0 728 83 THR O O -0.550000 15.9994 0 729 84 GLN N NH1 -0.350000 14.0067 0 730 84 GLN H H 0.250000 1.00800 0 731 84 GLN CA CH1E 0.100000 13.0190 0 732 84 GLN CB CH2E 0.000000E+00 14.0270 0 733 84 GLN CG CH2E 0.000000E+00 14.0270 0 734 84 GLN CD C 0.550000 12.0110 0 735 84 GLN OE1 O -0.550000 15.9994 0 736 84 GLN NE2 NH2 -0.600000 14.0067 0 737 84 GLN HE21 H 0.300000 1.00800 0 738 84 GLN HE22 H 0.300000 1.00800 0 739 84 GLN C C 0.550000 12.0110 0 740 84 GLN O O -0.550000 15.9994 0 741 85 GLU N NH1 -0.350000 14.0067 0 742 85 GLU H H 0.250000 1.00800 0 743 85 GLU CA CH1E 0.100000 13.0190 0 744 85 GLU CB CH2E 0.000000E+00 14.0270 0 745 85 GLU CG CH2E -0.160000 14.0270 0 746 85 GLU CD C 0.360000 12.0110 0 747 85 GLU OE1 OC -0.600000 15.9994 0 748 85 GLU OE2 OC -0.600000 15.9994 0 749 85 GLU C C 0.550000 12.0110 0 750 85 GLU O O -0.550000 15.9994 0 751 86 LEU N NH1 -0.350000 14.0067 0 752 86 LEU H H 0.250000 1.00800 0 753 86 LEU CA CH1E 0.100000 13.0190 0 754 86 LEU CB CH2E 0.000000E+00 14.0270 0 755 86 LEU CG CH1E 0.000000E+00 13.0190 0 756 86 LEU CD1 CH3E 0.000000E+00 15.0350 0 757 86 LEU CD2 CH3E 0.000000E+00 15.0350 0 758 86 LEU C C 0.550000 12.0110 0 759 86 LEU O O -0.550000 15.9994 0 760 87 LEU N NH1 -0.350000 14.0067 0 761 87 LEU H H 0.250000 1.00800 0 762 87 LEU CA CH1E 0.100000 13.0190 0 763 87 LEU CB CH2E 0.000000E+00 14.0270 0 764 87 LEU CG CH1E 0.000000E+00 13.0190 0 765 87 LEU CD1 CH3E 0.000000E+00 15.0350 0 766 87 LEU CD2 CH3E 0.000000E+00 15.0350 0 767 87 LEU C C 0.550000 12.0110 0 768 87 LEU O O -0.550000 15.9994 0 769 88 PHE N NH1 -0.350000 14.0067 0 770 88 PHE H H 0.250000 1.00800 0 771 88 PHE CA CH1E 0.100000 13.0190 0 772 88 PHE CB CH2E 0.000000E+00 14.0270 0 773 88 PHE CG CF 0.000000E+00 12.0110 0 774 88 PHE CD1 CR1E 0.000000E+00 13.0190 0 775 88 PHE CD2 CR1E 0.000000E+00 13.0190 0 776 88 PHE CE1 CR1E 0.000000E+00 13.0190 0 777 88 PHE CE2 CR1E 0.000000E+00 13.0190 0 778 88 PHE CZ CR1E 0.000000E+00 13.0190 0 779 88 PHE C C 0.550000 12.0110 0 780 88 PHE O O -0.550000 15.9994 0 781 89 GLY N NH1 -0.350000 14.0067 0 782 89 GLY H H 0.250000 1.00800 0 783 89 GLY CA CH2G 0.100000 14.0270 0 784 89 GLY C C 0.550000 12.0110 0 785 89 GLY O O -0.550000 15.9994 0 786 90 LYS N NH1 -0.350000 14.0067 0 787 90 LYS H H 0.250000 1.00800 0 788 90 LYS CA CH1E 0.100000 13.0190 0 789 90 LYS CB CH2E 0.000000E+00 14.0270 0 790 90 LYS CG CH2E 0.000000E+00 14.0270 0 791 90 LYS CD CH2E 0.000000E+00 14.0270 0 792 90 LYS CE CH2E 0.250000 14.0270 0 793 90 LYS NZ NH3 -0.300000 14.0067 0 794 90 LYS HZ1 HC 0.350000 1.00800 0 795 90 LYS HZ2 HC 0.350000 1.00800 0 796 90 LYS HZ3 HC 0.350000 1.00800 0 797 90 LYS C C 0.550000 12.0110 0 798 90 LYS O O -0.550000 15.9994 0 799 91 GLY N NH1 -0.350000 14.0067 0 800 91 GLY H H 0.250000 1.00800 0 801 91 GLY CA CH2G 0.100000 14.0270 0 802 91 GLY C C 0.550000 12.0110 0 803 91 GLY O O -0.550000 15.9994 0 804 92 SER N NH1 -0.350000 14.0067 0 805 92 SER H H 0.250000 1.00800 0 806 92 SER CA CH1E 0.100000 13.0190 0 807 92 SER CB CH2E 0.250000 14.0270 0 808 92 SER OG OH1 -0.650000 15.9994 0 809 92 SER HG H 0.400000 1.00800 0 810 92 SER C C 0.550000 12.0110 0 811 92 SER O O -0.550000 15.9994 0 812 93 ALA N NH1 -0.350000 14.0067 0 813 93 ALA H H 0.250000 1.00800 0 814 93 ALA CA CH1E 0.100000 13.0190 0 815 93 ALA CB CH3E 0.000000E+00 15.0350 0 816 93 ALA C C 0.550000 12.0110 0 817 93 ALA O O -0.550000 15.9994 0 818 94 LEU N NH1 -0.350000 14.0067 0 819 94 LEU H H 0.250000 1.00800 0 820 94 LEU CA CH1E 0.100000 13.0190 0 821 94 LEU CB CH2E 0.000000E+00 14.0270 0 822 94 LEU CG CH1E 0.000000E+00 13.0190 0 823 94 LEU CD1 CH3E 0.000000E+00 15.0350 0 824 94 LEU CD2 CH3E 0.000000E+00 15.0350 0 825 94 LEU C C 0.550000 12.0110 0 826 94 LEU O O -0.550000 15.9994 0 827 95 ILE N NH1 -0.350000 14.0067 0 828 95 ILE H H 0.250000 1.00800 0 829 95 ILE CA CH1E 0.100000 13.0190 0 830 95 ILE CB CH1E 0.000000E+00 13.0190 0 831 95 ILE CG2 CH3E 0.000000E+00 15.0350 0 832 95 ILE CG1 CH2E 0.000000E+00 14.0270 0 833 95 ILE CD1 CH3E 0.000000E+00 15.0350 0 834 95 ILE C C 0.550000 12.0110 0 835 95 ILE O O -0.550000 15.9994 0 836 96 ASN N NH1 -0.350000 14.0067 0 837 96 ASN H H 0.250000 1.00800 0 838 96 ASN CA CH1E 0.100000 13.0190 0 839 96 ASN CB CH2E 0.000000E+00 14.0270 0 840 96 ASN CG C 0.550000 12.0110 0 841 96 ASN OD1 O -0.550000 15.9994 0 842 96 ASN ND2 NH2 -0.600000 14.0067 0 843 96 ASN HD21 H 0.300000 1.00800 0 844 96 ASN HD22 H 0.300000 1.00800 0 845 96 ASN C C 0.550000 12.0110 0 846 96 ASN O O -0.550000 15.9994 0 847 97 ASP N NH1 -0.350000 14.0067 0 848 97 ASP H H 0.250000 1.00800 0 849 97 ASP CA CH1E 0.100000 13.0190 0 850 97 ASP CB CH2E -0.160000 14.0270 0 851 97 ASP CG C 0.360000 12.0110 0 852 97 ASP OD1 OC -0.600000 15.9994 0 853 97 ASP OD2 OC -0.600000 15.9994 0 854 97 ASP C C 0.550000 12.0110 0 855 97 ASP O O -0.550000 15.9994 0 856 98 LYS N NH1 -0.350000 14.0067 0 857 98 LYS H H 0.250000 1.00800 0 858 98 LYS CA CH1E 0.100000 13.0190 0 859 98 LYS CB CH2E 0.000000E+00 14.0270 0 860 98 LYS CG CH2E 0.000000E+00 14.0270 0 861 98 LYS CD CH2E 0.000000E+00 14.0270 0 862 98 LYS CE CH2E 0.250000 14.0270 0 863 98 LYS NZ NH3 -0.300000 14.0067 0 864 98 LYS HZ1 HC 0.350000 1.00800 0 865 98 LYS HZ2 HC 0.350000 1.00800 0 866 98 LYS HZ3 HC 0.350000 1.00800 0 867 98 LYS C C 0.550000 12.0110 0 868 98 LYS O O -0.550000 15.9994 0 869 99 ARG N NH1 -0.350000 14.0067 0 870 99 ARG H H 0.250000 1.00800 0 871 99 ARG CA CH1E 0.100000 13.0190 0 872 99 ARG CB CH2E 0.000000E+00 14.0270 0 873 99 ARG CG CH2E 0.000000E+00 14.0270 0 874 99 ARG CD CH2E 0.100000 14.0270 0 875 99 ARG NE NH1 -0.400000 14.0067 0 876 99 ARG HE H 0.300000 1.00800 0 877 99 ARG CZ C 0.500000 12.0110 0 878 99 ARG NH1 NC2 -0.450000 14.0067 0 879 99 ARG HH11 HC 0.350000 1.00800 0 880 99 ARG HH12 HC 0.350000 1.00800 0 881 99 ARG NH2 NC2 -0.450000 14.0067 0 882 99 ARG HH21 HC 0.350000 1.00800 0 883 99 ARG HH22 HC 0.350000 1.00800 0 884 99 ARG C C 0.550000 12.0110 0 885 99 ARG O O -0.550000 15.9994 0 886 100 ALA N NH1 -0.350000 14.0067 0 887 100 ALA H H 0.250000 1.00800 0 888 100 ALA CA CH1E 0.100000 13.0190 0 889 100 ALA CB CH3E 0.000000E+00 15.0350 0 890 100 ALA C C 0.550000 12.0110 0 891 100 ALA O O -0.550000 15.9994 0 892 101 ARG N NH1 -0.350000 14.0067 0 893 101 ARG H H 0.250000 1.00800 0 894 101 ARG CA CH1E 0.100000 13.0190 0 895 101 ARG CB CH2E 0.000000E+00 14.0270 0 896 101 ARG CG CH2E 0.000000E+00 14.0270 0 897 101 ARG CD CH2E 0.100000 14.0270 0 898 101 ARG NE NH1 -0.400000 14.0067 0 899 101 ARG HE H 0.300000 1.00800 0 900 101 ARG CZ C 0.500000 12.0110 0 901 101 ARG NH1 NC2 -0.450000 14.0067 0 902 101 ARG HH11 HC 0.350000 1.00800 0 903 101 ARG HH12 HC 0.350000 1.00800 0 904 101 ARG NH2 NC2 -0.450000 14.0067 0 905 101 ARG HH21 HC 0.350000 1.00800 0 906 101 ARG HH22 HC 0.350000 1.00800 0 907 101 ARG C C 0.550000 12.0110 0 908 101 ARG O O -0.550000 15.9994 0 909 102 THR N NH1 -0.350000 14.0067 0 910 102 THR H H 0.250000 1.00800 0 911 102 THR CA CH1E 0.100000 13.0190 0 912 102 THR CB CH1E 0.250000 13.0190 0 913 102 THR OG1 OH1 -0.650000 15.9994 0 914 102 THR HG1 H 0.400000 1.00800 0 915 102 THR CG2 CH3E 0.000000E+00 15.0350 0 916 102 THR C C 0.550000 12.0110 0 917 102 THR O O -0.550000 15.9994 0 918 103 ALA N NH1 -0.350000 14.0067 0 919 103 ALA H H 0.250000 1.00800 0 920 103 ALA CA CH1E 0.100000 13.0190 0 921 103 ALA CB CH3E 0.000000E+00 15.0350 0 922 103 ALA C C 0.550000 12.0110 0 923 103 ALA O O -0.550000 15.9994 0 924 104 GLN N NH1 -0.350000 14.0067 0 925 104 GLN H H 0.250000 1.00800 0 926 104 GLN CA CH1E 0.100000 13.0190 0 927 104 GLN CB CH2E 0.000000E+00 14.0270 0 928 104 GLN CG CH2E 0.000000E+00 14.0270 0 929 104 GLN CD C 0.550000 12.0110 0 930 104 GLN OE1 O -0.550000 15.9994 0 931 104 GLN NE2 NH2 -0.600000 14.0067 0 932 104 GLN HE21 H 0.300000 1.00800 0 933 104 GLN HE22 H 0.300000 1.00800 0 934 104 GLN C C 0.550000 12.0110 0 935 104 GLN O O -0.550000 15.9994 0 936 105 THR N NH1 -0.350000 14.0067 0 937 105 THR H H 0.250000 1.00800 0 938 105 THR CA CH1E 0.100000 13.0190 0 939 105 THR CB CH1E 0.250000 13.0190 0 940 105 THR OG1 OH1 -0.650000 15.9994 0 941 105 THR HG1 H 0.400000 1.00800 0 942 105 THR CG2 CH3E 0.000000E+00 15.0350 0 943 105 THR C C 0.550000 12.0110 0 944 105 THR O O -0.550000 15.9994 0 945 106 PRO N N -0.200000 14.0067 0 946 106 PRO CD CH2P 0.100000 14.0270 0 947 106 PRO CA CH1E 0.100000 13.0190 0 948 106 PRO CB CH2E 0.000000E+00 14.0270 0 949 106 PRO CG CH2P 0.000000E+00 14.0270 0 950 106 PRO C C 0.550000 12.0110 0 951 106 PRO O O -0.550000 15.9994 0 952 107 GLY N NH1 -0.350000 14.0067 0 953 107 GLY H H 0.250000 1.00800 0 954 107 GLY CA CH2G 0.100000 14.0270 0 955 107 GLY C C 0.550000 12.0110 0 956 107 GLY O O -0.550000 15.9994 0 957 108 GLY N NH1 -0.350000 14.0067 0 958 108 GLY H H 0.250000 1.00800 0 959 108 GLY CA CH2G 0.100000 14.0270 0 960 108 GLY C C 0.550000 12.0110 0 961 108 GLY O O -0.550000 15.9994 0 962 109 THR N NH1 -0.350000 14.0067 0 963 109 THR H H 0.250000 1.00800 0 964 109 THR CA CH1E 0.100000 13.0190 0 965 109 THR CB CH1E 0.250000 13.0190 0 966 109 THR OG1 OH1 -0.650000 15.9994 0 967 109 THR HG1 H 0.400000 1.00800 0 968 109 THR CG2 CH3E 0.000000E+00 15.0350 0 969 109 THR C C 0.550000 12.0110 0 970 109 THR O O -0.550000 15.9994 0 971 110 GLY N NH1 -0.350000 14.0067 0 972 110 GLY H H 0.250000 1.00800 0 973 110 GLY CA CH2G 0.100000 14.0270 0 974 110 GLY C C 0.550000 12.0110 0 975 110 GLY O O -0.550000 15.9994 0 976 111 ALA N NH1 -0.350000 14.0067 0 977 111 ALA H H 0.250000 1.00800 0 978 111 ALA CA CH1E 0.100000 13.0190 0 979 111 ALA CB CH3E 0.000000E+00 15.0350 0 980 111 ALA C C 0.550000 12.0110 0 981 111 ALA O O -0.550000 15.9994 0 982 112 LEU N NH1 -0.350000 14.0067 0 983 112 LEU H H 0.250000 1.00800 0 984 112 LEU CA CH1E 0.100000 13.0190 0 985 112 LEU CB CH2E 0.000000E+00 14.0270 0 986 112 LEU CG CH1E 0.000000E+00 13.0190 0 987 112 LEU CD1 CH3E 0.000000E+00 15.0350 0 988 112 LEU CD2 CH3E 0.000000E+00 15.0350 0 989 112 LEU C C 0.550000 12.0110 0 990 112 LEU O O -0.550000 15.9994 0 991 113 ARG N NH1 -0.350000 14.0067 0 992 113 ARG H H 0.250000 1.00800 0 993 113 ARG CA CH1E 0.100000 13.0190 0 994 113 ARG CB CH2E 0.000000E+00 14.0270 0 995 113 ARG CG CH2E 0.000000E+00 14.0270 0 996 113 ARG CD CH2E 0.100000 14.0270 0 997 113 ARG NE NH1 -0.400000 14.0067 0 998 113 ARG HE H 0.300000 1.00800 0 999 113 ARG CZ C 0.500000 12.0110 0 1000 113 ARG NH1 NC2 -0.450000 14.0067 0 1001 113 ARG HH11 HC 0.350000 1.00800 0 1002 113 ARG HH12 HC 0.350000 1.00800 0 1003 113 ARG NH2 NC2 -0.450000 14.0067 0 1004 113 ARG HH21 HC 0.350000 1.00800 0 1005 113 ARG HH22 HC 0.350000 1.00800 0 1006 113 ARG C C 0.550000 12.0110 0 1007 113 ARG O O -0.550000 15.9994 0 1008 114 VAL N NH1 -0.350000 14.0067 0 1009 114 VAL H H 0.250000 1.00800 0 1010 114 VAL CA CH1E 0.100000 13.0190 0 1011 114 VAL CB CH1E 0.000000E+00 13.0190 0 1012 114 VAL CG1 CH3E 0.000000E+00 15.0350 0 1013 114 VAL CG2 CH3E 0.000000E+00 15.0350 0 1014 114 VAL C C 0.550000 12.0110 0 1015 114 VAL O O -0.550000 15.9994 0 1016 115 ALA N NH1 -0.350000 14.0067 0 1017 115 ALA H H 0.250000 1.00800 0 1018 115 ALA CA CH1E 0.100000 13.0190 0 1019 115 ALA CB CH3E 0.000000E+00 15.0350 0 1020 115 ALA C C 0.550000 12.0110 0 1021 115 ALA O O -0.550000 15.9994 0 1022 116 ALA N NH1 -0.350000 14.0067 0 1023 116 ALA H H 0.250000 1.00800 0 1024 116 ALA CA CH1E 0.100000 13.0190 0 1025 116 ALA CB CH3E 0.000000E+00 15.0350 0 1026 116 ALA C C 0.550000 12.0110 0 1027 116 ALA O O -0.550000 15.9994 0 1028 117 ASP N NH1 -0.350000 14.0067 0 1029 117 ASP H H 0.250000 1.00800 0 1030 117 ASP CA CH1E 0.100000 13.0190 0 1031 117 ASP CB CH2E -0.160000 14.0270 0 1032 117 ASP CG C 0.360000 12.0110 0 1033 117 ASP OD1 OC -0.600000 15.9994 0 1034 117 ASP OD2 OC -0.600000 15.9994 0 1035 117 ASP C C 0.550000 12.0110 0 1036 117 ASP O O -0.550000 15.9994 0 1037 118 PHE N NH1 -0.350000 14.0067 0 1038 118 PHE H H 0.250000 1.00800 0 1039 118 PHE CA CH1E 0.100000 13.0190 0 1040 118 PHE CB CH2E 0.000000E+00 14.0270 0 1041 118 PHE CG CF 0.000000E+00 12.0110 0 1042 118 PHE CD1 CR1E 0.000000E+00 13.0190 0 1043 118 PHE CD2 CR1E 0.000000E+00 13.0190 0 1044 118 PHE CE1 CR1E 0.000000E+00 13.0190 0 1045 118 PHE CE2 CR1E 0.000000E+00 13.0190 0 1046 118 PHE CZ CR1E 0.000000E+00 13.0190 0 1047 118 PHE C C 0.550000 12.0110 0 1048 118 PHE O O -0.550000 15.9994 0 1049 119 LEU N NH1 -0.350000 14.0067 0 1050 119 LEU H H 0.250000 1.00800 0 1051 119 LEU CA CH1E 0.100000 13.0190 0 1052 119 LEU CB CH2E 0.000000E+00 14.0270 0 1053 119 LEU CG CH1E 0.000000E+00 13.0190 0 1054 119 LEU CD1 CH3E 0.000000E+00 15.0350 0 1055 119 LEU CD2 CH3E 0.000000E+00 15.0350 0 1056 119 LEU C C 0.550000 12.0110 0 1057 119 LEU O O -0.550000 15.9994 0 1058 120 ALA N NH1 -0.350000 14.0067 0 1059 120 ALA H H 0.250000 1.00800 0 1060 120 ALA CA CH1E 0.100000 13.0190 0 1061 120 ALA CB CH3E 0.000000E+00 15.0350 0 1062 120 ALA C C 0.550000 12.0110 0 1063 120 ALA O O -0.550000 15.9994 0 1064 121 LYS N NH1 -0.350000 14.0067 0 1065 121 LYS H H 0.250000 1.00800 0 1066 121 LYS CA CH1E 0.100000 13.0190 0 1067 121 LYS CB CH2E 0.000000E+00 14.0270 0 1068 121 LYS CG CH2E 0.000000E+00 14.0270 0 1069 121 LYS CD CH2E 0.000000E+00 14.0270 0 1070 121 LYS CE CH2E 0.250000 14.0270 0 1071 121 LYS NZ NH3 -0.300000 14.0067 0 1072 121 LYS HZ1 HC 0.350000 1.00800 0 1073 121 LYS HZ2 HC 0.350000 1.00800 0 1074 121 LYS HZ3 HC 0.350000 1.00800 0 1075 121 LYS C C 0.550000 12.0110 0 1076 121 LYS O O -0.550000 15.9994 0 1077 122 ASN N NH1 -0.350000 14.0067 0 1078 122 ASN H H 0.250000 1.00800 0 1079 122 ASN CA CH1E 0.100000 13.0190 0 1080 122 ASN CB CH2E 0.000000E+00 14.0270 0 1081 122 ASN CG C 0.550000 12.0110 0 1082 122 ASN OD1 O -0.550000 15.9994 0 1083 122 ASN ND2 NH2 -0.600000 14.0067 0 1084 122 ASN HD21 H 0.300000 1.00800 0 1085 122 ASN HD22 H 0.300000 1.00800 0 1086 122 ASN C C 0.550000 12.0110 0 1087 122 ASN O O -0.550000 15.9994 0 1088 123 THR N NH1 -0.350000 14.0067 0 1089 123 THR H H 0.250000 1.00800 0 1090 123 THR CA CH1E 0.100000 13.0190 0 1091 123 THR CB CH1E 0.250000 13.0190 0 1092 123 THR OG1 OH1 -0.650000 15.9994 0 1093 123 THR HG1 H 0.400000 1.00800 0 1094 123 THR CG2 CH3E 0.000000E+00 15.0350 0 1095 123 THR C C 0.550000 12.0110 0 1096 123 THR O O -0.550000 15.9994 0 1097 124 SER N NH1 -0.350000 14.0067 0 1098 124 SER H H 0.250000 1.00800 0 1099 124 SER CA CH1E 0.100000 13.0190 0 1100 124 SER CB CH2E 0.250000 14.0270 0 1101 124 SER OG OH1 -0.650000 15.9994 0 1102 124 SER HG H 0.400000 1.00800 0 1103 124 SER C C 0.550000 12.0110 0 1104 124 SER O O -0.550000 15.9994 0 1105 125 VAL N NH1 -0.350000 14.0067 0 1106 125 VAL H H 0.250000 1.00800 0 1107 125 VAL CA CH1E 0.100000 13.0190 0 1108 125 VAL CB CH1E 0.000000E+00 13.0190 0 1109 125 VAL CG1 CH3E 0.000000E+00 15.0350 0 1110 125 VAL CG2 CH3E 0.000000E+00 15.0350 0 1111 125 VAL C C 0.550000 12.0110 0 1112 125 VAL O O -0.550000 15.9994 0 1113 126 LYS N NH1 -0.350000 14.0067 0 1114 126 LYS H H 0.250000 1.00800 0 1115 126 LYS CA CH1E 0.100000 13.0190 0 1116 126 LYS CB CH2E 0.000000E+00 14.0270 0 1117 126 LYS CG CH2E 0.000000E+00 14.0270 0 1118 126 LYS CD CH2E 0.000000E+00 14.0270 0 1119 126 LYS CE CH2E 0.250000 14.0270 0 1120 126 LYS NZ NH3 -0.300000 14.0067 0 1121 126 LYS HZ1 HC 0.350000 1.00800 0 1122 126 LYS HZ2 HC 0.350000 1.00800 0 1123 126 LYS HZ3 HC 0.350000 1.00800 0 1124 126 LYS C C 0.550000 12.0110 0 1125 126 LYS O O -0.550000 15.9994 0 1126 129 ARG N NH1 -0.350000 14.0067 0 1127 129 ARG H H 0.250000 1.00800 0 1128 129 ARG CA CH1E 0.100000 13.0190 0 1129 129 ARG CB CH2E 0.000000E+00 14.0270 0 1130 129 ARG CG CH2E 0.000000E+00 14.0270 0 1131 129 ARG CD CH2E 0.100000 14.0270 0 1132 129 ARG NE NH1 -0.400000 14.0067 0 1133 129 ARG HE H 0.300000 1.00800 0 1134 129 ARG CZ C 0.500000 12.0110 0 1135 129 ARG NH1 NC2 -0.450000 14.0067 0 1136 129 ARG HH11 HC 0.350000 1.00800 0 1137 129 ARG HH12 HC 0.350000 1.00800 0 1138 129 ARG NH2 NC2 -0.450000 14.0067 0 1139 129 ARG HH21 HC 0.350000 1.00800 0 1140 129 ARG HH22 HC 0.350000 1.00800 0 1141 129 ARG C C 0.550000 12.0110 0 1142 129 ARG O O -0.550000 15.9994 0 1143 133 VAL N NH1 -0.350000 14.0067 0 1144 133 VAL H H 0.250000 1.00800 0 1145 133 VAL CA CH1E 0.100000 13.0190 0 1146 133 VAL CB CH1E 0.000000E+00 13.0190 0 1147 133 VAL CG1 CH3E 0.000000E+00 15.0350 0 1148 133 VAL CG2 CH3E 0.000000E+00 15.0350 0 1149 133 VAL C C 0.550000 12.0110 0 1150 133 VAL O O -0.550000 15.9994 0 1151 134 TRP N NH1 -0.350000 14.0067 0 1152 134 TRP H H 0.250000 1.00800 0 1153 134 TRP CA CH1E 0.100000 13.0190 0 1154 134 TRP CB CH2E 0.000000E+00 14.0270 0 1155 134 TRP CG C5W -0.300000E-01 12.0110 0 1156 134 TRP CD2 CW 0.100000 12.0110 0 1157 134 TRP CE2 CW -0.400000E-01 12.0110 0 1158 134 TRP CE3 CR1E -0.300000E-01 13.0190 0 1159 134 TRP CD1 CR1E 0.600000E-01 13.0190 0 1160 134 TRP NE1 NH1 -0.360000 14.0067 0 1161 134 TRP HE1 H 0.300000 1.00800 0 1162 134 TRP CZ2 CR1W 0.000000E+00 13.0190 0 1163 134 TRP CZ3 CR1E 0.000000E+00 13.0190 0 1164 134 TRP CH2 CR1W 0.000000E+00 13.0190 0 1165 134 TRP C C 0.550000 12.0110 0 1166 134 TRP O O -0.550000 15.9994 0 1167 135 VAL N NH1 -0.350000 14.0067 0 1168 135 VAL H H 0.250000 1.00800 0 1169 135 VAL CA CH1E 0.100000 13.0190 0 1170 135 VAL CB CH1E 0.000000E+00 13.0190 0 1171 135 VAL CG1 CH3E 0.000000E+00 15.0350 0 1172 135 VAL CG2 CH3E 0.000000E+00 15.0350 0 1173 135 VAL C C 0.550000 12.0110 0 1174 135 VAL O O -0.550000 15.9994 0 1175 136 SER N NH1 -0.350000 14.0067 0 1176 136 SER H H 0.250000 1.00800 0 1177 136 SER CA CH1E 0.100000 13.0190 0 1178 136 SER CB CH2E 0.250000 14.0270 0 1179 136 SER OG OH1 -0.650000 15.9994 0 1180 136 SER HG H 0.400000 1.00800 0 1181 136 SER C C 0.550000 12.0110 0 1182 136 SER O O -0.550000 15.9994 0 1183 137 ASN N NH1 -0.350000 14.0067 0 1184 137 ASN H H 0.250000 1.00800 0 1185 137 ASN CA CH1E 0.100000 13.0190 0 1186 137 ASN CB CH2E 0.000000E+00 14.0270 0 1187 137 ASN CG C 0.550000 12.0110 0 1188 137 ASN OD1 O -0.550000 15.9994 0 1189 137 ASN ND2 NH2 -0.600000 14.0067 0 1190 137 ASN HD21 H 0.300000 1.00800 0 1191 137 ASN HD22 H 0.300000 1.00800 0 1192 137 ASN C C 0.550000 12.0110 0 1193 137 ASN O O -0.550000 15.9994 0 1194 138 PRO N N -0.200000 14.0067 0 1195 138 PRO CD CH2P 0.100000 14.0270 0 1196 138 PRO CA CH1E 0.100000 13.0190 0 1197 138 PRO CB CH2E 0.000000E+00 14.0270 0 1198 138 PRO CG CH2P 0.000000E+00 14.0270 0 1199 138 PRO C C 0.550000 12.0110 0 1200 138 PRO O O -0.550000 15.9994 0 1201 139 SER N NH1 -0.350000 14.0067 0 1202 139 SER H H 0.250000 1.00800 0 1203 139 SER CA CH1E 0.100000 13.0190 0 1204 139 SER CB CH2E 0.250000 14.0270 0 1205 139 SER OG OH1 -0.650000 15.9994 0 1206 139 SER HG H 0.400000 1.00800 0 1207 139 SER C C 0.550000 12.0110 0 1208 139 SER O O -0.550000 15.9994 0 1209 140 TRP N NH1 -0.350000 14.0067 0 1210 140 TRP H H 0.250000 1.00800 0 1211 140 TRP CA CH1E 0.100000 13.0190 0 1212 140 TRP CB CH2E 0.000000E+00 14.0270 0 1213 140 TRP CG C5W -0.300000E-01 12.0110 0 1214 140 TRP CD2 CW 0.100000 12.0110 0 1215 140 TRP CE2 CW -0.400000E-01 12.0110 0 1216 140 TRP CE3 CR1E -0.300000E-01 13.0190 0 1217 140 TRP CD1 CR1E 0.600000E-01 13.0190 0 1218 140 TRP NE1 NH1 -0.360000 14.0067 0 1219 140 TRP HE1 H 0.300000 1.00800 0 1220 140 TRP CZ2 CR1W 0.000000E+00 13.0190 0 1221 140 TRP CZ3 CR1E 0.000000E+00 13.0190 0 1222 140 TRP CH2 CR1W 0.000000E+00 13.0190 0 1223 140 TRP C C 0.550000 12.0110 0 1224 140 TRP O O -0.550000 15.9994 0 1225 141 PRO N N -0.200000 14.0067 0 1226 141 PRO CD CH2P 0.100000 14.0270 0 1227 141 PRO CA CH1E 0.100000 13.0190 0 1228 141 PRO CB CH2E 0.000000E+00 14.0270 0 1229 141 PRO CG CH2P 0.000000E+00 14.0270 0 1230 141 PRO C C 0.550000 12.0110 0 1231 141 PRO O O -0.550000 15.9994 0 1232 142 ASN N NH1 -0.350000 14.0067 0 1233 142 ASN H H 0.250000 1.00800 0 1234 142 ASN CA CH1E 0.100000 13.0190 0 1235 142 ASN CB CH2E 0.000000E+00 14.0270 0 1236 142 ASN CG C 0.550000 12.0110 0 1237 142 ASN OD1 O -0.550000 15.9994 0 1238 142 ASN ND2 NH2 -0.600000 14.0067 0 1239 142 ASN HD21 H 0.300000 1.00800 0 1240 142 ASN HD22 H 0.300000 1.00800 0 1241 142 ASN C C 0.550000 12.0110 0 1242 142 ASN O O -0.550000 15.9994 0 1243 143 HIS N NH1 -0.350000 14.0067 0 1244 143 HIS H H 0.250000 1.00800 0 1245 143 HIS CA CH1E 0.100000 13.0190 0 1246 143 HIS CB CH2E 0.100000 14.0270 0 1247 143 HIS CG C5 0.150000 12.0110 0 1248 143 HIS CD2 CR1H 0.200000 13.0190 0 1249 143 HIS ND1 NH1 -0.300000 14.0067 0 1250 143 HIS HD1 H 0.350000 1.00800 0 1251 143 HIS CE1 CRHH 0.450000 13.0190 0 1252 143 HIS NE2 NH1 -0.300000 14.0067 0 1253 143 HIS HE2 H 0.350000 1.00800 0 1254 143 HIS C C 0.550000 12.0110 0 1255 143 HIS O O -0.550000 15.9994 0 1256 144 LYS N NH1 -0.350000 14.0067 0 1257 144 LYS H H 0.250000 1.00800 0 1258 144 LYS CA CH1E 0.100000 13.0190 0 1259 144 LYS CB CH2E 0.000000E+00 14.0270 0 1260 144 LYS CG CH2E 0.000000E+00 14.0270 0 1261 144 LYS CD CH2E 0.000000E+00 14.0270 0 1262 144 LYS CE CH2E 0.250000 14.0270 0 1263 144 LYS NZ NH3 -0.300000 14.0067 0 1264 144 LYS HZ1 HC 0.350000 1.00800 0 1265 144 LYS HZ2 HC 0.350000 1.00800 0 1266 144 LYS HZ3 HC 0.350000 1.00800 0 1267 144 LYS C C 0.550000 12.0110 0 1268 144 LYS O O -0.550000 15.9994 0 1269 145 SER N NH1 -0.350000 14.0067 0 1270 145 SER H H 0.250000 1.00800 0 1271 145 SER CA CH1E 0.100000 13.0190 0 1272 145 SER CB CH2E 0.250000 14.0270 0 1273 145 SER OG OH1 -0.650000 15.9994 0 1274 145 SER HG H 0.400000 1.00800 0 1275 145 SER C C 0.550000 12.0110 0 1276 145 SER O O -0.550000 15.9994 0 1277 146 VAL N NH1 -0.350000 14.0067 0 1278 146 VAL H H 0.250000 1.00800 0 1279 146 VAL CA CH1E 0.100000 13.0190 0 1280 146 VAL CB CH1E 0.000000E+00 13.0190 0 1281 146 VAL CG1 CH3E 0.000000E+00 15.0350 0 1282 146 VAL CG2 CH3E 0.000000E+00 15.0350 0 1283 146 VAL C C 0.550000 12.0110 0 1284 146 VAL O O -0.550000 15.9994 0 1285 147 PHE N NH1 -0.350000 14.0067 0 1286 147 PHE H H 0.250000 1.00800 0 1287 147 PHE CA CH1E 0.100000 13.0190 0 1288 147 PHE CB CH2E 0.000000E+00 14.0270 0 1289 147 PHE CG CF 0.000000E+00 12.0110 0 1290 147 PHE CD1 CR1E 0.000000E+00 13.0190 0 1291 147 PHE CD2 CR1E 0.000000E+00 13.0190 0 1292 147 PHE CE1 CR1E 0.000000E+00 13.0190 0 1293 147 PHE CE2 CR1E 0.000000E+00 13.0190 0 1294 147 PHE CZ CR1E 0.000000E+00 13.0190 0 1295 147 PHE C C 0.550000 12.0110 0 1296 147 PHE O O -0.550000 15.9994 0 1297 148 ASN N NH1 -0.350000 14.0067 0 1298 148 ASN H H 0.250000 1.00800 0 1299 148 ASN CA CH1E 0.100000 13.0190 0 1300 148 ASN CB CH2E 0.000000E+00 14.0270 0 1301 148 ASN CG C 0.550000 12.0110 0 1302 148 ASN OD1 O -0.550000 15.9994 0 1303 148 ASN ND2 NH2 -0.600000 14.0067 0 1304 148 ASN HD21 H 0.300000 1.00800 0 1305 148 ASN HD22 H 0.300000 1.00800 0 1306 148 ASN C C 0.550000 12.0110 0 1307 148 ASN O O -0.550000 15.9994 0 1308 149 SER N NH1 -0.350000 14.0067 0 1309 149 SER H H 0.250000 1.00800 0 1310 149 SER CA CH1E 0.100000 13.0190 0 1311 149 SER CB CH2E 0.250000 14.0270 0 1312 149 SER OG OH1 -0.650000 15.9994 0 1313 149 SER HG H 0.400000 1.00800 0 1314 149 SER C C 0.550000 12.0110 0 1315 149 SER O O -0.550000 15.9994 0 1316 150 ALA N NH1 -0.350000 14.0067 0 1317 150 ALA H H 0.250000 1.00800 0 1318 150 ALA CA CH1E 0.100000 13.0190 0 1319 150 ALA CB CH3E 0.000000E+00 15.0350 0 1320 150 ALA C C 0.550000 12.0110 0 1321 150 ALA O O -0.550000 15.9994 0 1322 151 GLY N NH1 -0.350000 14.0067 0 1323 151 GLY H H 0.250000 1.00800 0 1324 151 GLY CA CH2G 0.100000 14.0270 0 1325 151 GLY C C 0.550000 12.0110 0 1326 151 GLY O O -0.550000 15.9994 0 1327 152 LEU N NH1 -0.350000 14.0067 0 1328 152 LEU H H 0.250000 1.00800 0 1329 152 LEU CA CH1E 0.100000 13.0190 0 1330 152 LEU CB CH2E 0.000000E+00 14.0270 0 1331 152 LEU CG CH1E 0.000000E+00 13.0190 0 1332 152 LEU CD1 CH3E 0.000000E+00 15.0350 0 1333 152 LEU CD2 CH3E 0.000000E+00 15.0350 0 1334 152 LEU C C 0.550000 12.0110 0 1335 152 LEU O O -0.550000 15.9994 0 1336 154 GLU N NH1 -0.350000 14.0067 0 1337 154 GLU H H 0.250000 1.00800 0 1338 154 GLU CA CH1E 0.100000 13.0190 0 1339 154 GLU CB CH2E 0.000000E+00 14.0270 0 1340 154 GLU CG CH2E -0.160000 14.0270 0 1341 154 GLU CD C 0.360000 12.0110 0 1342 154 GLU OE1 OC -0.600000 15.9994 0 1343 154 GLU OE2 OC -0.600000 15.9994 0 1344 154 GLU C C 0.550000 12.0110 0 1345 154 GLU O O -0.550000 15.9994 0 1346 155 VAL N NH1 -0.350000 14.0067 0 1347 155 VAL H H 0.250000 1.00800 0 1348 155 VAL CA CH1E 0.100000 13.0190 0 1349 155 VAL CB CH1E 0.000000E+00 13.0190 0 1350 155 VAL CG1 CH3E 0.000000E+00 15.0350 0 1351 155 VAL CG2 CH3E 0.000000E+00 15.0350 0 1352 155 VAL C C 0.550000 12.0110 0 1353 155 VAL O O -0.550000 15.9994 0 1354 156 ARG N NH1 -0.350000 14.0067 0 1355 156 ARG H H 0.250000 1.00800 0 1356 156 ARG CA CH1E 0.100000 13.0190 0 1357 156 ARG CB CH2E 0.000000E+00 14.0270 0 1358 156 ARG CG CH2E 0.000000E+00 14.0270 0 1359 156 ARG CD CH2E 0.100000 14.0270 0 1360 156 ARG NE NH1 -0.400000 14.0067 0 1361 156 ARG HE H 0.300000 1.00800 0 1362 156 ARG CZ C 0.500000 12.0110 0 1363 156 ARG NH1 NC2 -0.450000 14.0067 0 1364 156 ARG HH11 HC 0.350000 1.00800 0 1365 156 ARG HH12 HC 0.350000 1.00800 0 1366 156 ARG NH2 NC2 -0.450000 14.0067 0 1367 156 ARG HH21 HC 0.350000 1.00800 0 1368 156 ARG HH22 HC 0.350000 1.00800 0 1369 156 ARG C C 0.550000 12.0110 0 1370 156 ARG O O -0.550000 15.9994 0 1371 157 GLU N NH1 -0.350000 14.0067 0 1372 157 GLU H H 0.250000 1.00800 0 1373 157 GLU CA CH1E 0.100000 13.0190 0 1374 157 GLU CB CH2E 0.000000E+00 14.0270 0 1375 157 GLU CG CH2E -0.160000 14.0270 0 1376 157 GLU CD C 0.360000 12.0110 0 1377 157 GLU OE1 OC -0.600000 15.9994 0 1378 157 GLU OE2 OC -0.600000 15.9994 0 1379 157 GLU C C 0.550000 12.0110 0 1380 157 GLU O O -0.550000 15.9994 0 1381 158 TYR N NH1 -0.350000 14.0067 0 1382 158 TYR H H 0.250000 1.00800 0 1383 158 TYR CA CH1E 0.100000 13.0190 0 1384 158 TYR CB CH2E 0.000000E+00 14.0270 0 1385 158 TYR CG CY 0.000000E+00 12.0110 0 1386 158 TYR CD1 CR1E 0.000000E+00 13.0190 0 1387 158 TYR CE1 CR1E 0.000000E+00 13.0190 0 1388 158 TYR CD2 CR1E 0.000000E+00 13.0190 0 1389 158 TYR CE2 CR1E 0.000000E+00 13.0190 0 1390 158 TYR CZ CY2 0.250000 12.0110 0 1391 158 TYR OH OH1 -0.650000 15.9994 0 1392 158 TYR HH H 0.400000 1.00800 0 1393 158 TYR C C 0.550000 12.0110 0 1394 158 TYR O O -0.550000 15.9994 0 1395 159 ALA N NH1 -0.350000 14.0067 0 1396 159 ALA H H 0.250000 1.00800 0 1397 159 ALA CA CH1E 0.100000 13.0190 0 1398 159 ALA CB CH3E 0.000000E+00 15.0350 0 1399 159 ALA C C 0.550000 12.0110 0 1400 159 ALA O O -0.550000 15.9994 0 1401 160 TYR N NH1 -0.350000 14.0067 0 1402 160 TYR H H 0.250000 1.00800 0 1403 160 TYR CA CH1E 0.100000 13.0190 0 1404 160 TYR CB CH2E 0.000000E+00 14.0270 0 1405 160 TYR CG CY 0.000000E+00 12.0110 0 1406 160 TYR CD1 CR1E 0.000000E+00 13.0190 0 1407 160 TYR CE1 CR1E 0.000000E+00 13.0190 0 1408 160 TYR CD2 CR1E 0.000000E+00 13.0190 0 1409 160 TYR CE2 CR1E 0.000000E+00 13.0190 0 1410 160 TYR CZ CY2 0.250000 12.0110 0 1411 160 TYR OH OH1 -0.650000 15.9994 0 1412 160 TYR HH H 0.400000 1.00800 0 1413 160 TYR C C 0.550000 12.0110 0 1414 160 TYR O O -0.550000 15.9994 0 1415 161 TYR N NH1 -0.350000 14.0067 0 1416 161 TYR H H 0.250000 1.00800 0 1417 161 TYR CA CH1E 0.100000 13.0190 0 1418 161 TYR CB CH2E 0.000000E+00 14.0270 0 1419 161 TYR CG CY 0.000000E+00 12.0110 0 1420 161 TYR CD1 CR1E 0.000000E+00 13.0190 0 1421 161 TYR CE1 CR1E 0.000000E+00 13.0190 0 1422 161 TYR CD2 CR1E 0.000000E+00 13.0190 0 1423 161 TYR CE2 CR1E 0.000000E+00 13.0190 0 1424 161 TYR CZ CY2 0.250000 12.0110 0 1425 161 TYR OH OH1 -0.650000 15.9994 0 1426 161 TYR HH H 0.400000 1.00800 0 1427 161 TYR C C 0.550000 12.0110 0 1428 161 TYR O O -0.550000 15.9994 0 1429 162 ASP N NH1 -0.350000 14.0067 0 1430 162 ASP H H 0.250000 1.00800 0 1431 162 ASP CA CH1E 0.100000 13.0190 0 1432 162 ASP CB CH2E -0.160000 14.0270 0 1433 162 ASP CG C 0.360000 12.0110 0 1434 162 ASP OD1 OC -0.600000 15.9994 0 1435 162 ASP OD2 OC -0.600000 15.9994 0 1436 162 ASP C C 0.550000 12.0110 0 1437 162 ASP O O -0.550000 15.9994 0 1438 163 ALA N NH1 -0.350000 14.0067 0 1439 163 ALA H H 0.250000 1.00800 0 1440 163 ALA CA CH1E 0.100000 13.0190 0 1441 163 ALA CB CH3E 0.000000E+00 15.0350 0 1442 163 ALA C C 0.550000 12.0110 0 1443 163 ALA O O -0.550000 15.9994 0 1444 164 GLU N NH1 -0.350000 14.0067 0 1445 164 GLU H H 0.250000 1.00800 0 1446 164 GLU CA CH1E 0.100000 13.0190 0 1447 164 GLU CB CH2E 0.000000E+00 14.0270 0 1448 164 GLU CG CH2E -0.160000 14.0270 0 1449 164 GLU CD C 0.360000 12.0110 0 1450 164 GLU OE1 OC -0.600000 15.9994 0 1451 164 GLU OE2 OC -0.600000 15.9994 0 1452 164 GLU C C 0.550000 12.0110 0 1453 164 GLU O O -0.550000 15.9994 0 1454 165 ASN N NH1 -0.350000 14.0067 0 1455 165 ASN H H 0.250000 1.00800 0 1456 165 ASN CA CH1E 0.100000 13.0190 0 1457 165 ASN CB CH2E 0.000000E+00 14.0270 0 1458 165 ASN CG C 0.550000 12.0110 0 1459 165 ASN OD1 O -0.550000 15.9994 0 1460 165 ASN ND2 NH2 -0.600000 14.0067 0 1461 165 ASN HD21 H 0.300000 1.00800 0 1462 165 ASN HD22 H 0.300000 1.00800 0 1463 165 ASN C C 0.550000 12.0110 0 1464 165 ASN O O -0.550000 15.9994 0 1465 166 HIS N NH1 -0.350000 14.0067 0 1466 166 HIS H H 0.250000 1.00800 0 1467 166 HIS CA CH1E 0.100000 13.0190 0 1468 166 HIS CB CH2E 0.100000 14.0270 0 1469 166 HIS CG C5 0.150000 12.0110 0 1470 166 HIS CD2 CR1H 0.200000 13.0190 0 1471 166 HIS ND1 NH1 -0.300000 14.0067 0 1472 166 HIS HD1 H 0.350000 1.00800 0 1473 166 HIS CE1 CRHH 0.450000 13.0190 0 1474 166 HIS NE2 NH1 -0.300000 14.0067 0 1475 166 HIS HE2 H 0.350000 1.00800 0 1476 166 HIS C C 0.550000 12.0110 0 1477 166 HIS O O -0.550000 15.9994 0 1478 167 THR N NH1 -0.350000 14.0067 0 1479 167 THR H H 0.250000 1.00800 0 1480 167 THR CA CH1E 0.100000 13.0190 0 1481 167 THR CB CH1E 0.250000 13.0190 0 1482 167 THR OG1 OH1 -0.650000 15.9994 0 1483 167 THR HG1 H 0.400000 1.00800 0 1484 167 THR CG2 CH3E 0.000000E+00 15.0350 0 1485 167 THR C C 0.550000 12.0110 0 1486 167 THR O O -0.550000 15.9994 0 1487 168 LEU N NH1 -0.350000 14.0067 0 1488 168 LEU H H 0.250000 1.00800 0 1489 168 LEU CA CH1E 0.100000 13.0190 0 1490 168 LEU CB CH2E 0.000000E+00 14.0270 0 1491 168 LEU CG CH1E 0.000000E+00 13.0190 0 1492 168 LEU CD1 CH3E 0.000000E+00 15.0350 0 1493 168 LEU CD2 CH3E 0.000000E+00 15.0350 0 1494 168 LEU C C 0.550000 12.0110 0 1495 168 LEU O O -0.550000 15.9994 0 1496 169 ASP N NH1 -0.350000 14.0067 0 1497 169 ASP H H 0.250000 1.00800 0 1498 169 ASP CA CH1E 0.100000 13.0190 0 1499 169 ASP CB CH2E -0.160000 14.0270 0 1500 169 ASP CG C 0.360000 12.0110 0 1501 169 ASP OD1 OC -0.600000 15.9994 0 1502 169 ASP OD2 OC -0.600000 15.9994 0 1503 169 ASP C C 0.550000 12.0110 0 1504 169 ASP O O -0.550000 15.9994 0 1505 170 PHE N NH1 -0.350000 14.0067 0 1506 170 PHE H H 0.250000 1.00800 0 1507 170 PHE CA CH1E 0.100000 13.0190 0 1508 170 PHE CB CH2E 0.000000E+00 14.0270 0 1509 170 PHE CG CF 0.000000E+00 12.0110 0 1510 170 PHE CD1 CR1E 0.000000E+00 13.0190 0 1511 170 PHE CD2 CR1E 0.000000E+00 13.0190 0 1512 170 PHE CE1 CR1E 0.000000E+00 13.0190 0 1513 170 PHE CE2 CR1E 0.000000E+00 13.0190 0 1514 170 PHE CZ CR1E 0.000000E+00 13.0190 0 1515 170 PHE C C 0.550000 12.0110 0 1516 170 PHE O O -0.550000 15.9994 0 1517 171 ASP N NH1 -0.350000 14.0067 0 1518 171 ASP H H 0.250000 1.00800 0 1519 171 ASP CA CH1E 0.100000 13.0190 0 1520 171 ASP CB CH2E -0.160000 14.0270 0 1521 171 ASP CG C 0.360000 12.0110 0 1522 171 ASP OD1 OC -0.600000 15.9994 0 1523 171 ASP OD2 OC -0.600000 15.9994 0 1524 171 ASP C C 0.550000 12.0110 0 1525 171 ASP O O -0.550000 15.9994 0 1526 172 ALA N NH1 -0.350000 14.0067 0 1527 172 ALA H H 0.250000 1.00800 0 1528 172 ALA CA CH1E 0.100000 13.0190 0 1529 172 ALA CB CH3E 0.000000E+00 15.0350 0 1530 172 ALA C C 0.550000 12.0110 0 1531 172 ALA O O -0.550000 15.9994 0 1532 173 LEU N NH1 -0.350000 14.0067 0 1533 173 LEU H H 0.250000 1.00800 0 1534 173 LEU CA CH1E 0.100000 13.0190 0 1535 173 LEU CB CH2E 0.000000E+00 14.0270 0 1536 173 LEU CG CH1E 0.000000E+00 13.0190 0 1537 173 LEU CD1 CH3E 0.000000E+00 15.0350 0 1538 173 LEU CD2 CH3E 0.000000E+00 15.0350 0 1539 173 LEU C C 0.550000 12.0110 0 1540 173 LEU O O -0.550000 15.9994 0 1541 174 ILE N NH1 -0.350000 14.0067 0 1542 174 ILE H H 0.250000 1.00800 0 1543 174 ILE CA CH1E 0.100000 13.0190 0 1544 174 ILE CB CH1E 0.000000E+00 13.0190 0 1545 174 ILE CG2 CH3E 0.000000E+00 15.0350 0 1546 174 ILE CG1 CH2E 0.000000E+00 14.0270 0 1547 174 ILE CD1 CH3E 0.000000E+00 15.0350 0 1548 174 ILE C C 0.550000 12.0110 0 1549 174 ILE O O -0.550000 15.9994 0 1550 175 ASN N NH1 -0.350000 14.0067 0 1551 175 ASN H H 0.250000 1.00800 0 1552 175 ASN CA CH1E 0.100000 13.0190 0 1553 175 ASN CB CH2E 0.000000E+00 14.0270 0 1554 175 ASN CG C 0.550000 12.0110 0 1555 175 ASN OD1 O -0.550000 15.9994 0 1556 175 ASN ND2 NH2 -0.600000 14.0067 0 1557 175 ASN HD21 H 0.300000 1.00800 0 1558 175 ASN HD22 H 0.300000 1.00800 0 1559 175 ASN C C 0.550000 12.0110 0 1560 175 ASN O O -0.550000 15.9994 0 1561 176 SER N NH1 -0.350000 14.0067 0 1562 176 SER H H 0.250000 1.00800 0 1563 176 SER CA CH1E 0.100000 13.0190 0 1564 176 SER CB CH2E 0.250000 14.0270 0 1565 176 SER OG OH1 -0.650000 15.9994 0 1566 176 SER HG H 0.400000 1.00800 0 1567 176 SER C C 0.550000 12.0110 0 1568 176 SER O O -0.550000 15.9994 0 1569 177 LEU N NH1 -0.350000 14.0067 0 1570 177 LEU H H 0.250000 1.00800 0 1571 177 LEU CA CH1E 0.100000 13.0190 0 1572 177 LEU CB CH2E 0.000000E+00 14.0270 0 1573 177 LEU CG CH1E 0.000000E+00 13.0190 0 1574 177 LEU CD1 CH3E 0.000000E+00 15.0350 0 1575 177 LEU CD2 CH3E 0.000000E+00 15.0350 0 1576 177 LEU C C 0.550000 12.0110 0 1577 177 LEU O O -0.550000 15.9994 0 1578 178 ASN N NH1 -0.350000 14.0067 0 1579 178 ASN H H 0.250000 1.00800 0 1580 178 ASN CA CH1E 0.100000 13.0190 0 1581 178 ASN CB CH2E 0.000000E+00 14.0270 0 1582 178 ASN CG C 0.550000 12.0110 0 1583 178 ASN OD1 O -0.550000 15.9994 0 1584 178 ASN ND2 NH2 -0.600000 14.0067 0 1585 178 ASN HD21 H 0.300000 1.00800 0 1586 178 ASN HD22 H 0.300000 1.00800 0 1587 178 ASN C C 0.550000 12.0110 0 1588 178 ASN O O -0.550000 15.9994 0 1589 179 GLU N NH1 -0.350000 14.0067 0 1590 179 GLU H H 0.250000 1.00800 0 1591 179 GLU CA CH1E 0.100000 13.0190 0 1592 179 GLU CB CH2E 0.000000E+00 14.0270 0 1593 179 GLU CG CH2E -0.160000 14.0270 0 1594 179 GLU CD C 0.360000 12.0110 0 1595 179 GLU OE1 OC -0.600000 15.9994 0 1596 179 GLU OE2 OC -0.600000 15.9994 0 1597 179 GLU C C 0.550000 12.0110 0 1598 179 GLU O O -0.550000 15.9994 0 1599 180 ALA N NH1 -0.350000 14.0067 0 1600 180 ALA H H 0.250000 1.00800 0 1601 180 ALA CA CH1E 0.100000 13.0190 0 1602 180 ALA CB CH3E 0.000000E+00 15.0350 0 1603 180 ALA C C 0.550000 12.0110 0 1604 180 ALA O O -0.550000 15.9994 0 1605 181 GLN N NH1 -0.350000 14.0067 0 1606 181 GLN H H 0.250000 1.00800 0 1607 181 GLN CA CH1E 0.100000 13.0190 0 1608 181 GLN CB CH2E 0.000000E+00 14.0270 0 1609 181 GLN CG CH2E 0.000000E+00 14.0270 0 1610 181 GLN CD C 0.550000 12.0110 0 1611 181 GLN OE1 O -0.550000 15.9994 0 1612 181 GLN NE2 NH2 -0.600000 14.0067 0 1613 181 GLN HE21 H 0.300000 1.00800 0 1614 181 GLN HE22 H 0.300000 1.00800 0 1615 181 GLN C C 0.550000 12.0110 0 1616 181 GLN O O -0.550000 15.9994 0 1617 182 ALA N NH1 -0.350000 14.0067 0 1618 182 ALA H H 0.250000 1.00800 0 1619 182 ALA CA CH1E 0.100000 13.0190 0 1620 182 ALA CB CH3E 0.000000E+00 15.0350 0 1621 182 ALA C C 0.550000 12.0110 0 1622 182 ALA O O -0.550000 15.9994 0 1623 183 GLY N NH1 -0.350000 14.0067 0 1624 183 GLY H H 0.250000 1.00800 0 1625 183 GLY CA CH2G 0.100000 14.0270 0 1626 183 GLY C C 0.550000 12.0110 0 1627 183 GLY O O -0.550000 15.9994 0 1628 184 ASP N NH1 -0.350000 14.0067 0 1629 184 ASP H H 0.250000 1.00800 0 1630 184 ASP CA CH1E 0.100000 13.0190 0 1631 184 ASP CB CH2E -0.160000 14.0270 0 1632 184 ASP CG C 0.360000 12.0110 0 1633 184 ASP OD1 OC -0.600000 15.9994 0 1634 184 ASP OD2 OC -0.600000 15.9994 0 1635 184 ASP C C 0.550000 12.0110 0 1636 184 ASP O O -0.550000 15.9994 0 1637 185 VAL N NH1 -0.350000 14.0067 0 1638 185 VAL H H 0.250000 1.00800 0 1639 185 VAL CA CH1E 0.100000 13.0190 0 1640 185 VAL CB CH1E 0.000000E+00 13.0190 0 1641 185 VAL CG1 CH3E 0.000000E+00 15.0350 0 1642 185 VAL CG2 CH3E 0.000000E+00 15.0350 0 1643 185 VAL C C 0.550000 12.0110 0 1644 185 VAL O O -0.550000 15.9994 0 1645 186 VAL N NH1 -0.350000 14.0067 0 1646 186 VAL H H 0.250000 1.00800 0 1647 186 VAL CA CH1E 0.100000 13.0190 0 1648 186 VAL CB CH1E 0.000000E+00 13.0190 0 1649 186 VAL CG1 CH3E 0.000000E+00 15.0350 0 1650 186 VAL CG2 CH3E 0.000000E+00 15.0350 0 1651 186 VAL C C 0.550000 12.0110 0 1652 186 VAL O O -0.550000 15.9994 0 1653 187 LEU N NH1 -0.350000 14.0067 0 1654 187 LEU H H 0.250000 1.00800 0 1655 187 LEU CA CH1E 0.100000 13.0190 0 1656 187 LEU CB CH2E 0.000000E+00 14.0270 0 1657 187 LEU CG CH1E 0.000000E+00 13.0190 0 1658 187 LEU CD1 CH3E 0.000000E+00 15.0350 0 1659 187 LEU CD2 CH3E 0.000000E+00 15.0350 0 1660 187 LEU C C 0.550000 12.0110 0 1661 187 LEU O O -0.550000 15.9994 0 1662 188 PHE N NH1 -0.350000 14.0067 0 1663 188 PHE H H 0.250000 1.00800 0 1664 188 PHE CA CH1E 0.100000 13.0190 0 1665 188 PHE CB CH2E 0.000000E+00 14.0270 0 1666 188 PHE CG CF 0.000000E+00 12.0110 0 1667 188 PHE CD1 CR1E 0.000000E+00 13.0190 0 1668 188 PHE CD2 CR1E 0.000000E+00 13.0190 0 1669 188 PHE CE1 CR1E 0.000000E+00 13.0190 0 1670 188 PHE CE2 CR1E 0.000000E+00 13.0190 0 1671 188 PHE CZ CR1E 0.000000E+00 13.0190 0 1672 188 PHE C C 0.550000 12.0110 0 1673 188 PHE O O -0.550000 15.9994 0 1674 189 HIS N NH1 -0.350000 14.0067 0 1675 189 HIS H H 0.250000 1.00800 0 1676 189 HIS CA CH1E 0.100000 13.0190 0 1677 189 HIS CB CH2E 0.100000 14.0270 0 1678 189 HIS CG C5 0.150000 12.0110 0 1679 189 HIS CD2 CR1H 0.200000 13.0190 0 1680 189 HIS ND1 NH1 -0.300000 14.0067 0 1681 189 HIS HD1 H 0.350000 1.00800 0 1682 189 HIS CE1 CRHH 0.450000 13.0190 0 1683 189 HIS NE2 NH1 -0.300000 14.0067 0 1684 189 HIS HE2 H 0.350000 1.00800 0 1685 189 HIS C C 0.550000 12.0110 0 1686 189 HIS O O -0.550000 15.9994 0 1687 190 GLY N NH1 -0.350000 14.0067 0 1688 190 GLY H H 0.250000 1.00800 0 1689 190 GLY CA CH2G 0.100000 14.0270 0 1690 190 GLY C C 0.550000 12.0110 0 1691 190 GLY O O -0.550000 15.9994 0 1692 191 CYS N NH1 -0.350000 14.0067 0 1693 191 CYS H H 0.250000 1.00800 0 1694 191 CYS CA CH1E 0.100000 13.0190 0 1695 191 CYS CB CH2E 0.190000 14.0270 0 1696 191 CYS SG SH1E -0.190000 33.0680 0 1697 191 CYS C C 0.550000 12.0110 0 1698 191 CYS O O -0.550000 15.9994 0 1699 192 CYS N NH1 -0.350000 14.0067 0 1700 192 CYS H H 0.250000 1.00800 0 1701 192 CYS CA CH1E 0.100000 13.0190 0 1702 192 CYS CB CH2E 0.190000 14.0270 0 1703 192 CYS SG SH1E -0.190000 33.0680 0 1704 192 CYS C C 0.550000 12.0110 0 1705 192 CYS O O -0.550000 15.9994 0 1706 193 HIS N NH1 -0.350000 14.0067 0 1707 193 HIS H H 0.250000 1.00800 0 1708 193 HIS CA CH1E 0.100000 13.0190 0 1709 193 HIS CB CH2E 0.100000 14.0270 0 1710 193 HIS CG C5 0.150000 12.0110 0 1711 193 HIS CD2 CR1H 0.200000 13.0190 0 1712 193 HIS ND1 NH1 -0.300000 14.0067 0 1713 193 HIS HD1 H 0.350000 1.00800 0 1714 193 HIS CE1 CRHH 0.450000 13.0190 0 1715 193 HIS NE2 NH1 -0.300000 14.0067 0 1716 193 HIS HE2 H 0.350000 1.00800 0 1717 193 HIS C C 0.550000 12.0110 0 1718 193 HIS O O -0.550000 15.9994 0 1719 194 ASN N NH1 -0.350000 14.0067 0 1720 194 ASN H H 0.250000 1.00800 0 1721 194 ASN CA CH1E 0.100000 13.0190 0 1722 194 ASN CB CH2E 0.000000E+00 14.0270 0 1723 194 ASN CG C 0.550000 12.0110 0 1724 194 ASN OD1 O -0.550000 15.9994 0 1725 194 ASN ND2 NH2 -0.600000 14.0067 0 1726 194 ASN HD21 H 0.300000 1.00800 0 1727 194 ASN HD22 H 0.300000 1.00800 0 1728 194 ASN C C 0.550000 12.0110 0 1729 194 ASN O O -0.550000 15.9994 0 1730 195 PRO N N -0.200000 14.0067 0 1731 195 PRO CD CH2P 0.100000 14.0270 0 1732 195 PRO CA CH1E 0.100000 13.0190 0 1733 195 PRO CB CH2E 0.000000E+00 14.0270 0 1734 195 PRO CG CH2P 0.000000E+00 14.0270 0 1735 195 PRO C C 0.550000 12.0110 0 1736 195 PRO O O -0.550000 15.9994 0 1737 196 THR N NH1 -0.350000 14.0067 0 1738 196 THR H H 0.250000 1.00800 0 1739 196 THR CA CH1E 0.100000 13.0190 0 1740 196 THR CB CH1E 0.250000 13.0190 0 1741 196 THR OG1 OH1 -0.650000 15.9994 0 1742 196 THR HG1 H 0.400000 1.00800 0 1743 196 THR CG2 CH3E 0.000000E+00 15.0350 0 1744 196 THR C C 0.550000 12.0110 0 1745 196 THR O O -0.550000 15.9994 0 1746 197 GLY N NH1 -0.350000 14.0067 0 1747 197 GLY H H 0.250000 1.00800 0 1748 197 GLY CA CH2G 0.100000 14.0270 0 1749 197 GLY C C 0.550000 12.0110 0 1750 197 GLY O O -0.550000 15.9994 0 1751 198 ILE N NH1 -0.350000 14.0067 0 1752 198 ILE H H 0.250000 1.00800 0 1753 198 ILE CA CH1E 0.100000 13.0190 0 1754 198 ILE CB CH1E 0.000000E+00 13.0190 0 1755 198 ILE CG2 CH3E 0.000000E+00 15.0350 0 1756 198 ILE CG1 CH2E 0.000000E+00 14.0270 0 1757 198 ILE CD1 CH3E 0.000000E+00 15.0350 0 1758 198 ILE C C 0.550000 12.0110 0 1759 198 ILE O O -0.550000 15.9994 0 1760 199 ASP N NH1 -0.350000 14.0067 0 1761 199 ASP H H 0.250000 1.00800 0 1762 199 ASP CA CH1E 0.100000 13.0190 0 1763 199 ASP CB CH2E -0.160000 14.0270 0 1764 199 ASP CG C 0.360000 12.0110 0 1765 199 ASP OD1 OC -0.600000 15.9994 0 1766 199 ASP OD2 OC -0.600000 15.9994 0 1767 199 ASP C C 0.550000 12.0110 0 1768 199 ASP O O -0.550000 15.9994 0 1769 200 PRO N N -0.200000 14.0067 0 1770 200 PRO CD CH2P 0.100000 14.0270 0 1771 200 PRO CA CH1E 0.100000 13.0190 0 1772 200 PRO CB CH2E 0.000000E+00 14.0270 0 1773 200 PRO CG CH2P 0.000000E+00 14.0270 0 1774 200 PRO C C 0.550000 12.0110 0 1775 200 PRO O O -0.550000 15.9994 0 1776 201 THR N NH1 -0.350000 14.0067 0 1777 201 THR H H 0.250000 1.00800 0 1778 201 THR CA CH1E 0.100000 13.0190 0 1779 201 THR CB CH1E 0.250000 13.0190 0 1780 201 THR OG1 OH1 -0.650000 15.9994 0 1781 201 THR HG1 H 0.400000 1.00800 0 1782 201 THR CG2 CH3E 0.000000E+00 15.0350 0 1783 201 THR C C 0.550000 12.0110 0 1784 201 THR O O -0.550000 15.9994 0 1785 202 LEU N NH1 -0.350000 14.0067 0 1786 202 LEU H H 0.250000 1.00800 0 1787 202 LEU CA CH1E 0.100000 13.0190 0 1788 202 LEU CB CH2E 0.000000E+00 14.0270 0 1789 202 LEU CG CH1E 0.000000E+00 13.0190 0 1790 202 LEU CD1 CH3E 0.000000E+00 15.0350 0 1791 202 LEU CD2 CH3E 0.000000E+00 15.0350 0 1792 202 LEU C C 0.550000 12.0110 0 1793 202 LEU O O -0.550000 15.9994 0 1794 203 GLU N NH1 -0.350000 14.0067 0 1795 203 GLU H H 0.250000 1.00800 0 1796 203 GLU CA CH1E 0.100000 13.0190 0 1797 203 GLU CB CH2E 0.000000E+00 14.0270 0 1798 203 GLU CG CH2E -0.160000 14.0270 0 1799 203 GLU CD C 0.360000 12.0110 0 1800 203 GLU OE1 OC -0.600000 15.9994 0 1801 203 GLU OE2 OC -0.600000 15.9994 0 1802 203 GLU C C 0.550000 12.0110 0 1803 203 GLU O O -0.550000 15.9994 0 1804 204 GLN N NH1 -0.350000 14.0067 0 1805 204 GLN H H 0.250000 1.00800 0 1806 204 GLN CA CH1E 0.100000 13.0190 0 1807 204 GLN CB CH2E 0.000000E+00 14.0270 0 1808 204 GLN CG CH2E 0.000000E+00 14.0270 0 1809 204 GLN CD C 0.550000 12.0110 0 1810 204 GLN OE1 O -0.550000 15.9994 0 1811 204 GLN NE2 NH2 -0.600000 14.0067 0 1812 204 GLN HE21 H 0.300000 1.00800 0 1813 204 GLN HE22 H 0.300000 1.00800 0 1814 204 GLN C C 0.550000 12.0110 0 1815 204 GLN O O -0.550000 15.9994 0 1816 205 TRP N NH1 -0.350000 14.0067 0 1817 205 TRP H H 0.250000 1.00800 0 1818 205 TRP CA CH1E 0.100000 13.0190 0 1819 205 TRP CB CH2E 0.000000E+00 14.0270 0 1820 205 TRP CG C5W -0.300000E-01 12.0110 0 1821 205 TRP CD2 CW 0.100000 12.0110 0 1822 205 TRP CE2 CW -0.400000E-01 12.0110 0 1823 205 TRP CE3 CR1E -0.300000E-01 13.0190 0 1824 205 TRP CD1 CR1E 0.600000E-01 13.0190 0 1825 205 TRP NE1 NH1 -0.360000 14.0067 0 1826 205 TRP HE1 H 0.300000 1.00800 0 1827 205 TRP CZ2 CR1W 0.000000E+00 13.0190 0 1828 205 TRP CZ3 CR1E 0.000000E+00 13.0190 0 1829 205 TRP CH2 CR1W 0.000000E+00 13.0190 0 1830 205 TRP C C 0.550000 12.0110 0 1831 205 TRP O O -0.550000 15.9994 0 1832 206 GLN N NH1 -0.350000 14.0067 0 1833 206 GLN H H 0.250000 1.00800 0 1834 206 GLN CA CH1E 0.100000 13.0190 0 1835 206 GLN CB CH2E 0.000000E+00 14.0270 0 1836 206 GLN CG CH2E 0.000000E+00 14.0270 0 1837 206 GLN CD C 0.550000 12.0110 0 1838 206 GLN OE1 O -0.550000 15.9994 0 1839 206 GLN NE2 NH2 -0.600000 14.0067 0 1840 206 GLN HE21 H 0.300000 1.00800 0 1841 206 GLN HE22 H 0.300000 1.00800 0 1842 206 GLN C C 0.550000 12.0110 0 1843 206 GLN O O -0.550000 15.9994 0 1844 207 THR N NH1 -0.350000 14.0067 0 1845 207 THR H H 0.250000 1.00800 0 1846 207 THR CA CH1E 0.100000 13.0190 0 1847 207 THR CB CH1E 0.250000 13.0190 0 1848 207 THR OG1 OH1 -0.650000 15.9994 0 1849 207 THR HG1 H 0.400000 1.00800 0 1850 207 THR CG2 CH3E 0.000000E+00 15.0350 0 1851 207 THR C C 0.550000 12.0110 0 1852 207 THR O O -0.550000 15.9994 0 1853 208 LEU N NH1 -0.350000 14.0067 0 1854 208 LEU H H 0.250000 1.00800 0 1855 208 LEU CA CH1E 0.100000 13.0190 0 1856 208 LEU CB CH2E 0.000000E+00 14.0270 0 1857 208 LEU CG CH1E 0.000000E+00 13.0190 0 1858 208 LEU CD1 CH3E 0.000000E+00 15.0350 0 1859 208 LEU CD2 CH3E 0.000000E+00 15.0350 0 1860 208 LEU C C 0.550000 12.0110 0 1861 208 LEU O O -0.550000 15.9994 0 1862 209 ALA N NH1 -0.350000 14.0067 0 1863 209 ALA H H 0.250000 1.00800 0 1864 209 ALA CA CH1E 0.100000 13.0190 0 1865 209 ALA CB CH3E 0.000000E+00 15.0350 0 1866 209 ALA C C 0.550000 12.0110 0 1867 209 ALA O O -0.550000 15.9994 0 1868 210 GLN N NH1 -0.350000 14.0067 0 1869 210 GLN H H 0.250000 1.00800 0 1870 210 GLN CA CH1E 0.100000 13.0190 0 1871 210 GLN CB CH2E 0.000000E+00 14.0270 0 1872 210 GLN CG CH2E 0.000000E+00 14.0270 0 1873 210 GLN CD C 0.550000 12.0110 0 1874 210 GLN OE1 O -0.550000 15.9994 0 1875 210 GLN NE2 NH2 -0.600000 14.0067 0 1876 210 GLN HE21 H 0.300000 1.00800 0 1877 210 GLN HE22 H 0.300000 1.00800 0 1878 210 GLN C C 0.550000 12.0110 0 1879 210 GLN O O -0.550000 15.9994 0 1880 211 LEU N NH1 -0.350000 14.0067 0 1881 211 LEU H H 0.250000 1.00800 0 1882 211 LEU CA CH1E 0.100000 13.0190 0 1883 211 LEU CB CH2E 0.000000E+00 14.0270 0 1884 211 LEU CG CH1E 0.000000E+00 13.0190 0 1885 211 LEU CD1 CH3E 0.000000E+00 15.0350 0 1886 211 LEU CD2 CH3E 0.000000E+00 15.0350 0 1887 211 LEU C C 0.550000 12.0110 0 1888 211 LEU O O -0.550000 15.9994 0 1889 212 SER N NH1 -0.350000 14.0067 0 1890 212 SER H H 0.250000 1.00800 0 1891 212 SER CA CH1E 0.100000 13.0190 0 1892 212 SER CB CH2E 0.250000 14.0270 0 1893 212 SER OG OH1 -0.650000 15.9994 0 1894 212 SER HG H 0.400000 1.00800 0 1895 212 SER C C 0.550000 12.0110 0 1896 212 SER O O -0.550000 15.9994 0 1897 213 VAL N NH1 -0.350000 14.0067 0 1898 213 VAL H H 0.250000 1.00800 0 1899 213 VAL CA CH1E 0.100000 13.0190 0 1900 213 VAL CB CH1E 0.000000E+00 13.0190 0 1901 213 VAL CG1 CH3E 0.000000E+00 15.0350 0 1902 213 VAL CG2 CH3E 0.000000E+00 15.0350 0 1903 213 VAL C C 0.550000 12.0110 0 1904 213 VAL O O -0.550000 15.9994 0 1905 214 GLU N NH1 -0.350000 14.0067 0 1906 214 GLU H H 0.250000 1.00800 0 1907 214 GLU CA CH1E 0.100000 13.0190 0 1908 214 GLU CB CH2E 0.000000E+00 14.0270 0 1909 214 GLU CG CH2E -0.160000 14.0270 0 1910 214 GLU CD C 0.360000 12.0110 0 1911 214 GLU OE1 OC -0.600000 15.9994 0 1912 214 GLU OE2 OC -0.600000 15.9994 0 1913 214 GLU C C 0.550000 12.0110 0 1914 214 GLU O O -0.550000 15.9994 0 1915 215 LYS N NH1 -0.350000 14.0067 0 1916 215 LYS H H 0.250000 1.00800 0 1917 215 LYS CA CH1E 0.100000 13.0190 0 1918 215 LYS CB CH2E 0.000000E+00 14.0270 0 1919 215 LYS CG CH2E 0.000000E+00 14.0270 0 1920 215 LYS CD CH2E 0.000000E+00 14.0270 0 1921 215 LYS CE CH2E 0.250000 14.0270 0 1922 215 LYS NZ NH3 -0.300000 14.0067 0 1923 215 LYS HZ1 HC 0.350000 1.00800 0 1924 215 LYS HZ2 HC 0.350000 1.00800 0 1925 215 LYS HZ3 HC 0.350000 1.00800 0 1926 215 LYS C C 0.550000 12.0110 0 1927 215 LYS O O -0.550000 15.9994 0 1928 216 GLY N NH1 -0.350000 14.0067 0 1929 216 GLY H H 0.250000 1.00800 0 1930 216 GLY CA CH2G 0.100000 14.0270 0 1931 216 GLY C C 0.550000 12.0110 0 1932 216 GLY O O -0.550000 15.9994 0 1933 217 TRP N NH1 -0.350000 14.0067 0 1934 217 TRP H H 0.250000 1.00800 0 1935 217 TRP CA CH1E 0.100000 13.0190 0 1936 217 TRP CB CH2E 0.000000E+00 14.0270 0 1937 217 TRP CG C5W -0.300000E-01 12.0110 0 1938 217 TRP CD2 CW 0.100000 12.0110 0 1939 217 TRP CE2 CW -0.400000E-01 12.0110 0 1940 217 TRP CE3 CR1E -0.300000E-01 13.0190 0 1941 217 TRP CD1 CR1E 0.600000E-01 13.0190 0 1942 217 TRP NE1 NH1 -0.360000 14.0067 0 1943 217 TRP HE1 H 0.300000 1.00800 0 1944 217 TRP CZ2 CR1W 0.000000E+00 13.0190 0 1945 217 TRP CZ3 CR1E 0.000000E+00 13.0190 0 1946 217 TRP CH2 CR1W 0.000000E+00 13.0190 0 1947 217 TRP C C 0.550000 12.0110 0 1948 217 TRP O O -0.550000 15.9994 0 1949 218 LEU N NH1 -0.350000 14.0067 0 1950 218 LEU H H 0.250000 1.00800 0 1951 218 LEU CA CH1E 0.100000 13.0190 0 1952 218 LEU CB CH2E 0.000000E+00 14.0270 0 1953 218 LEU CG CH1E 0.000000E+00 13.0190 0 1954 218 LEU CD1 CH3E 0.000000E+00 15.0350 0 1955 218 LEU CD2 CH3E 0.000000E+00 15.0350 0 1956 218 LEU C C 0.550000 12.0110 0 1957 218 LEU O O -0.550000 15.9994 0 1958 219 PRO N N -0.200000 14.0067 0 1959 219 PRO CD CH2P 0.100000 14.0270 0 1960 219 PRO CA CH1E 0.100000 13.0190 0 1961 219 PRO CB CH2E 0.000000E+00 14.0270 0 1962 219 PRO CG CH2P 0.000000E+00 14.0270 0 1963 219 PRO C C 0.550000 12.0110 0 1964 219 PRO O O -0.550000 15.9994 0 1965 220 LEU N NH1 -0.350000 14.0067 0 1966 220 LEU H H 0.250000 1.00800 0 1967 220 LEU CA CH1E 0.100000 13.0190 0 1968 220 LEU CB CH2E 0.000000E+00 14.0270 0 1969 220 LEU CG CH1E 0.000000E+00 13.0190 0 1970 220 LEU CD1 CH3E 0.000000E+00 15.0350 0 1971 220 LEU CD2 CH3E 0.000000E+00 15.0350 0 1972 220 LEU C C 0.550000 12.0110 0 1973 220 LEU O O -0.550000 15.9994 0 1974 221 PHE N NH1 -0.350000 14.0067 0 1975 221 PHE H H 0.250000 1.00800 0 1976 221 PHE CA CH1E 0.100000 13.0190 0 1977 221 PHE CB CH2E 0.000000E+00 14.0270 0 1978 221 PHE CG CF 0.000000E+00 12.0110 0 1979 221 PHE CD1 CR1E 0.000000E+00 13.0190 0 1980 221 PHE CD2 CR1E 0.000000E+00 13.0190 0 1981 221 PHE CE1 CR1E 0.000000E+00 13.0190 0 1982 221 PHE CE2 CR1E 0.000000E+00 13.0190 0 1983 221 PHE CZ CR1E 0.000000E+00 13.0190 0 1984 221 PHE C C 0.550000 12.0110 0 1985 221 PHE O O -0.550000 15.9994 0 1986 222 ASP N NH1 -0.350000 14.0067 0 1987 222 ASP H H 0.250000 1.00800 0 1988 222 ASP CA CH1E 0.100000 13.0190 0 1989 222 ASP CB CH2E -0.160000 14.0270 0 1990 222 ASP CG C 0.360000 12.0110 0 1991 222 ASP OD1 OC -0.600000 15.9994 0 1992 222 ASP OD2 OC -0.600000 15.9994 0 1993 222 ASP C C 0.550000 12.0110 0 1994 222 ASP O O -0.550000 15.9994 0 1995 223 PHE N NH1 -0.350000 14.0067 0 1996 223 PHE H H 0.250000 1.00800 0 1997 223 PHE CA CH1E 0.100000 13.0190 0 1998 223 PHE CB CH2E 0.000000E+00 14.0270 0 1999 223 PHE CG CF 0.000000E+00 12.0110 0 2000 223 PHE CD1 CR1E 0.000000E+00 13.0190 0 2001 223 PHE CD2 CR1E 0.000000E+00 13.0190 0 2002 223 PHE CE1 CR1E 0.000000E+00 13.0190 0 2003 223 PHE CE2 CR1E 0.000000E+00 13.0190 0 2004 223 PHE CZ CR1E 0.000000E+00 13.0190 0 2005 223 PHE C C 0.550000 12.0110 0 2006 223 PHE O O -0.550000 15.9994 0 2007 224 ALA N NH1 -0.350000 14.0067 0 2008 224 ALA H H 0.250000 1.00800 0 2009 224 ALA CA CH1E 0.100000 13.0190 0 2010 224 ALA CB CH3E 0.000000E+00 15.0350 0 2011 224 ALA C C 0.550000 12.0110 0 2012 224 ALA O O -0.550000 15.9994 0 2013 225 TYR N NH1 -0.350000 14.0067 0 2014 225 TYR H H 0.250000 1.00800 0 2015 225 TYR CA CH1E 0.100000 13.0190 0 2016 225 TYR CB CH2E 0.000000E+00 14.0270 0 2017 225 TYR CG CY 0.000000E+00 12.0110 0 2018 225 TYR CD1 CR1E 0.000000E+00 13.0190 0 2019 225 TYR CE1 CR1E 0.000000E+00 13.0190 0 2020 225 TYR CD2 CR1E 0.000000E+00 13.0190 0 2021 225 TYR CE2 CR1E 0.000000E+00 13.0190 0 2022 225 TYR CZ CY2 0.250000 12.0110 0 2023 225 TYR OH OH1 -0.650000 15.9994 0 2024 225 TYR HH H 0.400000 1.00800 0 2025 225 TYR C C 0.550000 12.0110 0 2026 225 TYR O O -0.550000 15.9994 0 2027 226 GLN N NH1 -0.350000 14.0067 0 2028 226 GLN H H 0.250000 1.00800 0 2029 226 GLN CA CH1E 0.100000 13.0190 0 2030 226 GLN CB CH2E 0.000000E+00 14.0270 0 2031 226 GLN CG CH2E 0.000000E+00 14.0270 0 2032 226 GLN CD C 0.550000 12.0110 0 2033 226 GLN OE1 O -0.550000 15.9994 0 2034 226 GLN NE2 NH2 -0.600000 14.0067 0 2035 226 GLN HE21 H 0.300000 1.00800 0 2036 226 GLN HE22 H 0.300000 1.00800 0 2037 226 GLN C C 0.550000 12.0110 0 2038 226 GLN O O -0.550000 15.9994 0 2039 227 GLY N NH1 -0.350000 14.0067 0 2040 227 GLY H H 0.250000 1.00800 0 2041 227 GLY CA CH2G 0.100000 14.0270 0 2042 227 GLY C C 0.550000 12.0110 0 2043 227 GLY O O -0.550000 15.9994 0 2044 228 PHE N NH1 -0.350000 14.0067 0 2045 228 PHE H H 0.250000 1.00800 0 2046 228 PHE CA CH1E 0.100000 13.0190 0 2047 228 PHE CB CH2E 0.000000E+00 14.0270 0 2048 228 PHE CG CF 0.000000E+00 12.0110 0 2049 228 PHE CD1 CR1E 0.000000E+00 13.0190 0 2050 228 PHE CD2 CR1E 0.000000E+00 13.0190 0 2051 228 PHE CE1 CR1E 0.000000E+00 13.0190 0 2052 228 PHE CE2 CR1E 0.000000E+00 13.0190 0 2053 228 PHE CZ CR1E 0.000000E+00 13.0190 0 2054 228 PHE C C 0.550000 12.0110 0 2055 228 PHE O O -0.550000 15.9994 0 2056 229 ALA N NH1 -0.350000 14.0067 0 2057 229 ALA H H 0.250000 1.00800 0 2058 229 ALA CA CH1E 0.100000 13.0190 0 2059 229 ALA CB CH3E 0.000000E+00 15.0350 0 2060 229 ALA C C 0.550000 12.0110 0 2061 229 ALA O O -0.550000 15.9994 0 2062 230 ARG N NH1 -0.350000 14.0067 0 2063 230 ARG H H 0.250000 1.00800 0 2064 230 ARG CA CH1E 0.100000 13.0190 0 2065 230 ARG CB CH2E 0.000000E+00 14.0270 0 2066 230 ARG CG CH2E 0.000000E+00 14.0270 0 2067 230 ARG CD CH2E 0.100000 14.0270 0 2068 230 ARG NE NH1 -0.400000 14.0067 0 2069 230 ARG HE H 0.300000 1.00800 0 2070 230 ARG CZ C 0.500000 12.0110 0 2071 230 ARG NH1 NC2 -0.450000 14.0067 0 2072 230 ARG HH11 HC 0.350000 1.00800 0 2073 230 ARG HH12 HC 0.350000 1.00800 0 2074 230 ARG NH2 NC2 -0.450000 14.0067 0 2075 230 ARG HH21 HC 0.350000 1.00800 0 2076 230 ARG HH22 HC 0.350000 1.00800 0 2077 230 ARG C C 0.550000 12.0110 0 2078 230 ARG O O -0.550000 15.9994 0 2079 231 GLY N NH1 -0.350000 14.0067 0 2080 231 GLY H H 0.250000 1.00800 0 2081 231 GLY CA CH2G 0.100000 14.0270 0 2082 231 GLY C C 0.550000 12.0110 0 2083 231 GLY O O -0.550000 15.9994 0 2084 233 LEU N NH1 -0.350000 14.0067 0 2085 233 LEU H H 0.250000 1.00800 0 2086 233 LEU CA CH1E 0.100000 13.0190 0 2087 233 LEU CB CH2E 0.000000E+00 14.0270 0 2088 233 LEU CG CH1E 0.000000E+00 13.0190 0 2089 233 LEU CD1 CH3E 0.000000E+00 15.0350 0 2090 233 LEU CD2 CH3E 0.000000E+00 15.0350 0 2091 233 LEU C C 0.550000 12.0110 0 2092 233 LEU O O -0.550000 15.9994 0 2093 234 GLU N NH1 -0.350000 14.0067 0 2094 234 GLU H H 0.250000 1.00800 0 2095 234 GLU CA CH1E 0.100000 13.0190 0 2096 234 GLU CB CH2E 0.000000E+00 14.0270 0 2097 234 GLU CG CH2E -0.160000 14.0270 0 2098 234 GLU CD C 0.360000 12.0110 0 2099 234 GLU OE1 OC -0.600000 15.9994 0 2100 234 GLU OE2 OC -0.600000 15.9994 0 2101 234 GLU C C 0.550000 12.0110 0 2102 234 GLU O O -0.550000 15.9994 0 2103 235 GLU N NH1 -0.350000 14.0067 0 2104 235 GLU H H 0.250000 1.00800 0 2105 235 GLU CA CH1E 0.100000 13.0190 0 2106 235 GLU CB CH2E 0.000000E+00 14.0270 0 2107 235 GLU CG CH2E -0.160000 14.0270 0 2108 235 GLU CD C 0.360000 12.0110 0 2109 235 GLU OE1 OC -0.600000 15.9994 0 2110 235 GLU OE2 OC -0.600000 15.9994 0 2111 235 GLU C C 0.550000 12.0110 0 2112 235 GLU O O -0.550000 15.9994 0 2113 236 ASP N NH1 -0.350000 14.0067 0 2114 236 ASP H H 0.250000 1.00800 0 2115 236 ASP CA CH1E 0.100000 13.0190 0 2116 236 ASP CB CH2E -0.160000 14.0270 0 2117 236 ASP CG C 0.360000 12.0110 0 2118 236 ASP OD1 OC -0.600000 15.9994 0 2119 236 ASP OD2 OC -0.600000 15.9994 0 2120 236 ASP C C 0.550000 12.0110 0 2121 236 ASP O O -0.550000 15.9994 0 2122 237 ALA N NH1 -0.350000 14.0067 0 2123 237 ALA H H 0.250000 1.00800 0 2124 237 ALA CA CH1E 0.100000 13.0190 0 2125 237 ALA CB CH3E 0.000000E+00 15.0350 0 2126 237 ALA C C 0.550000 12.0110 0 2127 237 ALA O O -0.550000 15.9994 0 2128 238 GLU N NH1 -0.350000 14.0067 0 2129 238 GLU H H 0.250000 1.00800 0 2130 238 GLU CA CH1E 0.100000 13.0190 0 2131 238 GLU CB CH2E 0.000000E+00 14.0270 0 2132 238 GLU CG CH2E -0.160000 14.0270 0 2133 238 GLU CD C 0.360000 12.0110 0 2134 238 GLU OE1 OC -0.600000 15.9994 0 2135 238 GLU OE2 OC -0.600000 15.9994 0 2136 238 GLU C C 0.550000 12.0110 0 2137 238 GLU O O -0.550000 15.9994 0 2138 239 GLY N NH1 -0.350000 14.0067 0 2139 239 GLY H H 0.250000 1.00800 0 2140 239 GLY CA CH2G 0.100000 14.0270 0 2141 239 GLY C C 0.550000 12.0110 0 2142 239 GLY O O -0.550000 15.9994 0 2143 240 LEU N NH1 -0.350000 14.0067 0 2144 240 LEU H H 0.250000 1.00800 0 2145 240 LEU CA CH1E 0.100000 13.0190 0 2146 240 LEU CB CH2E 0.000000E+00 14.0270 0 2147 240 LEU CG CH1E 0.000000E+00 13.0190 0 2148 240 LEU CD1 CH3E 0.000000E+00 15.0350 0 2149 240 LEU CD2 CH3E 0.000000E+00 15.0350 0 2150 240 LEU C C 0.550000 12.0110 0 2151 240 LEU O O -0.550000 15.9994 0 2152 241 ARG N NH1 -0.350000 14.0067 0 2153 241 ARG H H 0.250000 1.00800 0 2154 241 ARG CA CH1E 0.100000 13.0190 0 2155 241 ARG CB CH2E 0.000000E+00 14.0270 0 2156 241 ARG CG CH2E 0.000000E+00 14.0270 0 2157 241 ARG CD CH2E 0.100000 14.0270 0 2158 241 ARG NE NH1 -0.400000 14.0067 0 2159 241 ARG HE H 0.300000 1.00800 0 2160 241 ARG CZ C 0.500000 12.0110 0 2161 241 ARG NH1 NC2 -0.450000 14.0067 0 2162 241 ARG HH11 HC 0.350000 1.00800 0 2163 241 ARG HH12 HC 0.350000 1.00800 0 2164 241 ARG NH2 NC2 -0.450000 14.0067 0 2165 241 ARG HH21 HC 0.350000 1.00800 0 2166 241 ARG HH22 HC 0.350000 1.00800 0 2167 241 ARG C C 0.550000 12.0110 0 2168 241 ARG O O -0.550000 15.9994 0 2169 242 ALA N NH1 -0.350000 14.0067 0 2170 242 ALA H H 0.250000 1.00800 0 2171 242 ALA CA CH1E 0.100000 13.0190 0 2172 242 ALA CB CH3E 0.000000E+00 15.0350 0 2173 242 ALA C C 0.550000 12.0110 0 2174 242 ALA O O -0.550000 15.9994 0 2175 243 PHE N NH1 -0.350000 14.0067 0 2176 243 PHE H H 0.250000 1.00800 0 2177 243 PHE CA CH1E 0.100000 13.0190 0 2178 243 PHE CB CH2E 0.000000E+00 14.0270 0 2179 243 PHE CG CF 0.000000E+00 12.0110 0 2180 243 PHE CD1 CR1E 0.000000E+00 13.0190 0 2181 243 PHE CD2 CR1E 0.000000E+00 13.0190 0 2182 243 PHE CE1 CR1E 0.000000E+00 13.0190 0 2183 243 PHE CE2 CR1E 0.000000E+00 13.0190 0 2184 243 PHE CZ CR1E 0.000000E+00 13.0190 0 2185 243 PHE C C 0.550000 12.0110 0 2186 243 PHE O O -0.550000 15.9994 0 2187 244 ALA N NH1 -0.350000 14.0067 0 2188 244 ALA H H 0.250000 1.00800 0 2189 244 ALA CA CH1E 0.100000 13.0190 0 2190 244 ALA CB CH3E 0.000000E+00 15.0350 0 2191 244 ALA C C 0.550000 12.0110 0 2192 244 ALA O O -0.550000 15.9994 0 2193 245 ALA N NH1 -0.350000 14.0067 0 2194 245 ALA H H 0.250000 1.00800 0 2195 245 ALA CA CH1E 0.100000 13.0190 0 2196 245 ALA CB CH3E 0.000000E+00 15.0350 0 2197 245 ALA C C 0.550000 12.0110 0 2198 245 ALA O O -0.550000 15.9994 0 2199 246 MET N NH1 -0.350000 14.0067 0 2200 246 MET H H 0.250000 1.00800 0 2201 246 MET CA CH1E 0.100000 13.0190 0 2202 246 MET CB CH2E 0.000000E+00 14.0270 0 2203 246 MET CG CH2E 0.600000E-01 14.0270 0 2204 246 MET SD SM -0.120000 32.0600 0 2205 246 MET CE CH3E 0.600000E-01 15.0350 0 2206 246 MET C C 0.550000 12.0110 0 2207 246 MET O O -0.550000 15.9994 0 2208 247 HIS N NH1 -0.350000 14.0067 0 2209 247 HIS H H 0.250000 1.00800 0 2210 247 HIS CA CH1E 0.100000 13.0190 0 2211 247 HIS CB CH2E 0.100000 14.0270 0 2212 247 HIS CG C5 0.150000 12.0110 0 2213 247 HIS CD2 CR1H 0.200000 13.0190 0 2214 247 HIS ND1 NH1 -0.300000 14.0067 0 2215 247 HIS HD1 H 0.350000 1.00800 0 2216 247 HIS CE1 CRHH 0.450000 13.0190 0 2217 247 HIS NE2 NH1 -0.300000 14.0067 0 2218 247 HIS HE2 H 0.350000 1.00800 0 2219 247 HIS C C 0.550000 12.0110 0 2220 247 HIS O O -0.550000 15.9994 0 2221 248 LYS N NH1 -0.350000 14.0067 0 2222 248 LYS H H 0.250000 1.00800 0 2223 248 LYS CA CH1E 0.100000 13.0190 0 2224 248 LYS CB CH2E 0.000000E+00 14.0270 0 2225 248 LYS CG CH2E 0.000000E+00 14.0270 0 2226 248 LYS CD CH2E 0.000000E+00 14.0270 0 2227 248 LYS CE CH2E 0.250000 14.0270 0 2228 248 LYS NZ NH3 -0.300000 14.0067 0 2229 248 LYS HZ1 HC 0.350000 1.00800 0 2230 248 LYS HZ2 HC 0.350000 1.00800 0 2231 248 LYS HZ3 HC 0.350000 1.00800 0 2232 248 LYS C C 0.550000 12.0110 0 2233 248 LYS O O -0.550000 15.9994 0 2234 249 GLU N NH1 -0.350000 14.0067 0 2235 249 GLU H H 0.250000 1.00800 0 2236 249 GLU CA CH1E 0.100000 13.0190 0 2237 249 GLU CB CH2E 0.000000E+00 14.0270 0 2238 249 GLU CG CH2E -0.160000 14.0270 0 2239 249 GLU CD C 0.360000 12.0110 0 2240 249 GLU OE1 OC -0.600000 15.9994 0 2241 249 GLU OE2 OC -0.600000 15.9994 0 2242 249 GLU C C 0.550000 12.0110 0 2243 249 GLU O O -0.550000 15.9994 0 2244 250 LEU N NH1 -0.350000 14.0067 0 2245 250 LEU H H 0.250000 1.00800 0 2246 250 LEU CA CH1E 0.100000 13.0190 0 2247 250 LEU CB CH2E 0.000000E+00 14.0270 0 2248 250 LEU CG CH1E 0.000000E+00 13.0190 0 2249 250 LEU CD1 CH3E 0.000000E+00 15.0350 0 2250 250 LEU CD2 CH3E 0.000000E+00 15.0350 0 2251 250 LEU C C 0.550000 12.0110 0 2252 250 LEU O O -0.550000 15.9994 0 2253 251 ILE N NH1 -0.350000 14.0067 0 2254 251 ILE H H 0.250000 1.00800 0 2255 251 ILE CA CH1E 0.100000 13.0190 0 2256 251 ILE CB CH1E 0.000000E+00 13.0190 0 2257 251 ILE CG2 CH3E 0.000000E+00 15.0350 0 2258 251 ILE CG1 CH2E 0.000000E+00 14.0270 0 2259 251 ILE CD1 CH3E 0.000000E+00 15.0350 0 2260 251 ILE C C 0.550000 12.0110 0 2261 251 ILE O O -0.550000 15.9994 0 2262 252 VAL N NH1 -0.350000 14.0067 0 2263 252 VAL H H 0.250000 1.00800 0 2264 252 VAL CA CH1E 0.100000 13.0190 0 2265 252 VAL CB CH1E 0.000000E+00 13.0190 0 2266 252 VAL CG1 CH3E 0.000000E+00 15.0350 0 2267 252 VAL CG2 CH3E 0.000000E+00 15.0350 0 2268 252 VAL C C 0.550000 12.0110 0 2269 252 VAL O O -0.550000 15.9994 0 2270 253 ALA N NH1 -0.350000 14.0067 0 2271 253 ALA H H 0.250000 1.00800 0 2272 253 ALA CA CH1E 0.100000 13.0190 0 2273 253 ALA CB CH3E 0.000000E+00 15.0350 0 2274 253 ALA C C 0.550000 12.0110 0 2275 253 ALA O O -0.550000 15.9994 0 2276 254 SER N NH1 -0.350000 14.0067 0 2277 254 SER H H 0.250000 1.00800 0 2278 254 SER CA CH1E 0.100000 13.0190 0 2279 254 SER CB CH2E 0.250000 14.0270 0 2280 254 SER OG OH1 -0.650000 15.9994 0 2281 254 SER HG H 0.400000 1.00800 0 2282 254 SER C C 0.550000 12.0110 0 2283 254 SER O O -0.550000 15.9994 0 2284 255 SER N NH1 -0.350000 14.0067 0 2285 255 SER H H 0.250000 1.00800 0 2286 255 SER CA CH1E 0.100000 13.0190 0 2287 255 SER CB CH2E 0.250000 14.0270 0 2288 255 SER OG OH1 -0.650000 15.9994 0 2289 255 SER HG H 0.400000 1.00800 0 2290 255 SER C C 0.550000 12.0110 0 2291 255 SER O O -0.550000 15.9994 0 2292 256 TYR N NH1 -0.350000 14.0067 0 2293 256 TYR H H 0.250000 1.00800 0 2294 256 TYR CA CH1E 0.100000 13.0190 0 2295 256 TYR CB CH2E 0.000000E+00 14.0270 0 2296 256 TYR CG CY 0.000000E+00 12.0110 0 2297 256 TYR CD1 CR1E 0.000000E+00 13.0190 0 2298 256 TYR CE1 CR1E 0.000000E+00 13.0190 0 2299 256 TYR CD2 CR1E 0.000000E+00 13.0190 0 2300 256 TYR CE2 CR1E 0.000000E+00 13.0190 0 2301 256 TYR CZ CY2 0.250000 12.0110 0 2302 256 TYR OH OH1 -0.650000 15.9994 0 2303 256 TYR HH H 0.400000 1.00800 0 2304 256 TYR C C 0.550000 12.0110 0 2305 256 TYR O O -0.550000 15.9994 0 2306 257 SER N NH1 -0.350000 14.0067 0 2307 257 SER H H 0.250000 1.00800 0 2308 257 SER CA CH1E 0.100000 13.0190 0 2309 257 SER CB CH2E 0.250000 14.0270 0 2310 257 SER OG OH1 -0.650000 15.9994 0 2311 257 SER HG H 0.400000 1.00800 0 2312 257 SER C C 0.550000 12.0110 0 2313 257 SER O O -0.550000 15.9994 0 2314 258 ALA N NH1 -0.350000 14.0067 0 2315 258 ALA H H 0.250000 1.00800 0 2316 258 ALA CA CH1E 0.100000 13.0190 0 2317 258 ALA CB CH3E 0.000000E+00 15.0350 0 2318 258 ALA C C 0.550000 12.0110 0 2319 258 ALA O O -0.550000 15.9994 0 2320 259 ASN N NH1 -0.350000 14.0067 0 2321 259 ASN H H 0.250000 1.00800 0 2322 259 ASN CA CH1E 0.100000 13.0190 0 2323 259 ASN CB CH2E 0.000000E+00 14.0270 0 2324 259 ASN CG C 0.550000 12.0110 0 2325 259 ASN OD1 O -0.550000 15.9994 0 2326 259 ASN ND2 NH2 -0.600000 14.0067 0 2327 259 ASN HD21 H 0.300000 1.00800 0 2328 259 ASN HD22 H 0.300000 1.00800 0 2329 259 ASN C C 0.550000 12.0110 0 2330 259 ASN O O -0.550000 15.9994 0 2331 260 PHE N NH1 -0.350000 14.0067 0 2332 260 PHE H H 0.250000 1.00800 0 2333 260 PHE CA CH1E 0.100000 13.0190 0 2334 260 PHE CB CH2E 0.000000E+00 14.0270 0 2335 260 PHE CG CF 0.000000E+00 12.0110 0 2336 260 PHE CD1 CR1E 0.000000E+00 13.0190 0 2337 260 PHE CD2 CR1E 0.000000E+00 13.0190 0 2338 260 PHE CE1 CR1E 0.000000E+00 13.0190 0 2339 260 PHE CE2 CR1E 0.000000E+00 13.0190 0 2340 260 PHE CZ CR1E 0.000000E+00 13.0190 0 2341 260 PHE C C 0.550000 12.0110 0 2342 260 PHE O O -0.550000 15.9994 0 2343 261 GLY N NH1 -0.350000 14.0067 0 2344 261 GLY H H 0.250000 1.00800 0 2345 261 GLY CA CH2G 0.100000 14.0270 0 2346 261 GLY C C 0.550000 12.0110 0 2347 261 GLY O O -0.550000 15.9994 0 2348 262 LEU N NH1 -0.350000 14.0067 0 2349 262 LEU H H 0.250000 1.00800 0 2350 262 LEU CA CH1E 0.100000 13.0190 0 2351 262 LEU CB CH2E 0.000000E+00 14.0270 0 2352 262 LEU CG CH1E 0.000000E+00 13.0190 0 2353 262 LEU CD1 CH3E 0.000000E+00 15.0350 0 2354 262 LEU CD2 CH3E 0.000000E+00 15.0350 0 2355 262 LEU C C 0.550000 12.0110 0 2356 262 LEU O O -0.550000 15.9994 0 2357 263 TYR N NH1 -0.350000 14.0067 0 2358 263 TYR H H 0.250000 1.00800 0 2359 263 TYR CA CH1E 0.100000 13.0190 0 2360 263 TYR CB CH2E 0.000000E+00 14.0270 0 2361 263 TYR CG CY 0.000000E+00 12.0110 0 2362 263 TYR CD1 CR1E 0.000000E+00 13.0190 0 2363 263 TYR CE1 CR1E 0.000000E+00 13.0190 0 2364 263 TYR CD2 CR1E 0.000000E+00 13.0190 0 2365 263 TYR CE2 CR1E 0.000000E+00 13.0190 0 2366 263 TYR CZ CY2 0.250000 12.0110 0 2367 263 TYR OH OH1 -0.650000 15.9994 0 2368 263 TYR HH H 0.400000 1.00800 0 2369 263 TYR C C 0.550000 12.0110 0 2370 263 TYR O O -0.550000 15.9994 0 2371 264 ASN N NH1 -0.350000 14.0067 0 2372 264 ASN H H 0.250000 1.00800 0 2373 264 ASN CA CH1E 0.100000 13.0190 0 2374 264 ASN CB CH2E 0.000000E+00 14.0270 0 2375 264 ASN CG C 0.550000 12.0110 0 2376 264 ASN OD1 O -0.550000 15.9994 0 2377 264 ASN ND2 NH2 -0.600000 14.0067 0 2378 264 ASN HD21 H 0.300000 1.00800 0 2379 264 ASN HD22 H 0.300000 1.00800 0 2380 264 ASN C C 0.550000 12.0110 0 2381 264 ASN O O -0.550000 15.9994 0 2382 265 GLU N NH1 -0.350000 14.0067 0 2383 265 GLU H H 0.250000 1.00800 0 2384 265 GLU CA CH1E 0.100000 13.0190 0 2385 265 GLU CB CH2E 0.000000E+00 14.0270 0 2386 265 GLU CG CH2E -0.160000 14.0270 0 2387 265 GLU CD C 0.360000 12.0110 0 2388 265 GLU OE1 OC -0.600000 15.9994 0 2389 265 GLU OE2 OC -0.600000 15.9994 0 2390 265 GLU C C 0.550000 12.0110 0 2391 265 GLU O O -0.550000 15.9994 0 2392 266 ARG N NH1 -0.350000 14.0067 0 2393 266 ARG H H 0.250000 1.00800 0 2394 266 ARG CA CH1E 0.100000 13.0190 0 2395 266 ARG CB CH2E 0.000000E+00 14.0270 0 2396 266 ARG CG CH2E 0.000000E+00 14.0270 0 2397 266 ARG CD CH2E 0.100000 14.0270 0 2398 266 ARG NE NH1 -0.400000 14.0067 0 2399 266 ARG HE H 0.300000 1.00800 0 2400 266 ARG CZ C 0.500000 12.0110 0 2401 266 ARG NH1 NC2 -0.450000 14.0067 0 2402 266 ARG HH11 HC 0.350000 1.00800 0 2403 266 ARG HH12 HC 0.350000 1.00800 0 2404 266 ARG NH2 NC2 -0.450000 14.0067 0 2405 266 ARG HH21 HC 0.350000 1.00800 0 2406 266 ARG HH22 HC 0.350000 1.00800 0 2407 266 ARG C C 0.550000 12.0110 0 2408 266 ARG O O -0.550000 15.9994 0 2409 267 VAL N NH1 -0.350000 14.0067 0 2410 267 VAL H H 0.250000 1.00800 0 2411 267 VAL CA CH1E 0.100000 13.0190 0 2412 267 VAL CB CH1E 0.000000E+00 13.0190 0 2413 267 VAL CG1 CH3E 0.000000E+00 15.0350 0 2414 267 VAL CG2 CH3E 0.000000E+00 15.0350 0 2415 267 VAL C C 0.550000 12.0110 0 2416 267 VAL O O -0.550000 15.9994 0 2417 268 GLY N NH1 -0.350000 14.0067 0 2418 268 GLY H H 0.250000 1.00800 0 2419 268 GLY CA CH2G 0.100000 14.0270 0 2420 268 GLY C C 0.550000 12.0110 0 2421 268 GLY O O -0.550000 15.9994 0 2422 269 ALA N NH1 -0.350000 14.0067 0 2423 269 ALA H H 0.250000 1.00800 0 2424 269 ALA CA CH1E 0.100000 13.0190 0 2425 269 ALA CB CH3E 0.000000E+00 15.0350 0 2426 269 ALA C C 0.550000 12.0110 0 2427 269 ALA O O -0.550000 15.9994 0 2428 270 CYS N NH1 -0.350000 14.0067 0 2429 270 CYS H H 0.250000 1.00800 0 2430 270 CYS CA CH1E 0.100000 13.0190 0 2431 270 CYS CB CH2E 0.190000 14.0270 0 2432 270 CYS SG SH1E -0.190000 33.0680 0 2433 270 CYS C C 0.550000 12.0110 0 2434 270 CYS O O -0.550000 15.9994 0 2435 271 THR N NH1 -0.350000 14.0067 0 2436 271 THR H H 0.250000 1.00800 0 2437 271 THR CA CH1E 0.100000 13.0190 0 2438 271 THR CB CH1E 0.250000 13.0190 0 2439 271 THR OG1 OH1 -0.650000 15.9994 0 2440 271 THR HG1 H 0.400000 1.00800 0 2441 271 THR CG2 CH3E 0.000000E+00 15.0350 0 2442 271 THR C C 0.550000 12.0110 0 2443 271 THR O O -0.550000 15.9994 0 2444 272 LEU N NH1 -0.350000 14.0067 0 2445 272 LEU H H 0.250000 1.00800 0 2446 272 LEU CA CH1E 0.100000 13.0190 0 2447 272 LEU CB CH2E 0.000000E+00 14.0270 0 2448 272 LEU CG CH1E 0.000000E+00 13.0190 0 2449 272 LEU CD1 CH3E 0.000000E+00 15.0350 0 2450 272 LEU CD2 CH3E 0.000000E+00 15.0350 0 2451 272 LEU C C 0.550000 12.0110 0 2452 272 LEU O O -0.550000 15.9994 0 2453 273 VAL N NH1 -0.350000 14.0067 0 2454 273 VAL H H 0.250000 1.00800 0 2455 273 VAL CA CH1E 0.100000 13.0190 0 2456 273 VAL CB CH1E 0.000000E+00 13.0190 0 2457 273 VAL CG1 CH3E 0.000000E+00 15.0350 0 2458 273 VAL CG2 CH3E 0.000000E+00 15.0350 0 2459 273 VAL C C 0.550000 12.0110 0 2460 273 VAL O O -0.550000 15.9994 0 2461 274 ALA N NH1 -0.350000 14.0067 0 2462 274 ALA H H 0.250000 1.00800 0 2463 274 ALA CA CH1E 0.100000 13.0190 0 2464 274 ALA CB CH3E 0.000000E+00 15.0350 0 2465 274 ALA C C 0.550000 12.0110 0 2466 274 ALA O O -0.550000 15.9994 0 2467 275 ALA N NH1 -0.350000 14.0067 0 2468 275 ALA H H 0.250000 1.00800 0 2469 275 ALA CA CH1E 0.100000 13.0190 0 2470 275 ALA CB CH3E 0.000000E+00 15.0350 0 2471 275 ALA C C 0.550000 12.0110 0 2472 275 ALA O O -0.550000 15.9994 0 2473 276 ASP N NH1 -0.350000 14.0067 0 2474 276 ASP H H 0.250000 1.00800 0 2475 276 ASP CA CH1E 0.100000 13.0190 0 2476 276 ASP CB CH2E -0.160000 14.0270 0 2477 276 ASP CG C 0.360000 12.0110 0 2478 276 ASP OD1 OC -0.600000 15.9994 0 2479 276 ASP OD2 OC -0.600000 15.9994 0 2480 276 ASP C C 0.550000 12.0110 0 2481 276 ASP O O -0.550000 15.9994 0 2482 277 SER N NH1 -0.350000 14.0067 0 2483 277 SER H H 0.250000 1.00800 0 2484 277 SER CA CH1E 0.100000 13.0190 0 2485 277 SER CB CH2E 0.250000 14.0270 0 2486 277 SER OG OH1 -0.650000 15.9994 0 2487 277 SER HG H 0.400000 1.00800 0 2488 277 SER C C 0.550000 12.0110 0 2489 277 SER O O -0.550000 15.9994 0 2490 278 GLU N NH1 -0.350000 14.0067 0 2491 278 GLU H H 0.250000 1.00800 0 2492 278 GLU CA CH1E 0.100000 13.0190 0 2493 278 GLU CB CH2E 0.000000E+00 14.0270 0 2494 278 GLU CG CH2E -0.160000 14.0270 0 2495 278 GLU CD C 0.360000 12.0110 0 2496 278 GLU OE1 OC -0.600000 15.9994 0 2497 278 GLU OE2 OC -0.600000 15.9994 0 2498 278 GLU C C 0.550000 12.0110 0 2499 278 GLU O O -0.550000 15.9994 0 2500 279 THR N NH1 -0.350000 14.0067 0 2501 279 THR H H 0.250000 1.00800 0 2502 279 THR CA CH1E 0.100000 13.0190 0 2503 279 THR CB CH1E 0.250000 13.0190 0 2504 279 THR OG1 OH1 -0.650000 15.9994 0 2505 279 THR HG1 H 0.400000 1.00800 0 2506 279 THR CG2 CH3E 0.000000E+00 15.0350 0 2507 279 THR C C 0.550000 12.0110 0 2508 279 THR O O -0.550000 15.9994 0 2509 280 VAL N NH1 -0.350000 14.0067 0 2510 280 VAL H H 0.250000 1.00800 0 2511 280 VAL CA CH1E 0.100000 13.0190 0 2512 280 VAL CB CH1E 0.000000E+00 13.0190 0 2513 280 VAL CG1 CH3E 0.000000E+00 15.0350 0 2514 280 VAL CG2 CH3E 0.000000E+00 15.0350 0 2515 280 VAL C C 0.550000 12.0110 0 2516 280 VAL O O -0.550000 15.9994 0 2517 281 ASP N NH1 -0.350000 14.0067 0 2518 281 ASP H H 0.250000 1.00800 0 2519 281 ASP CA CH1E 0.100000 13.0190 0 2520 281 ASP CB CH2E -0.160000 14.0270 0 2521 281 ASP CG C 0.360000 12.0110 0 2522 281 ASP OD1 OC -0.600000 15.9994 0 2523 281 ASP OD2 OC -0.600000 15.9994 0 2524 281 ASP C C 0.550000 12.0110 0 2525 281 ASP O O -0.550000 15.9994 0 2526 282 ARG N NH1 -0.350000 14.0067 0 2527 282 ARG H H 0.250000 1.00800 0 2528 282 ARG CA CH1E 0.100000 13.0190 0 2529 282 ARG CB CH2E 0.000000E+00 14.0270 0 2530 282 ARG CG CH2E 0.000000E+00 14.0270 0 2531 282 ARG CD CH2E 0.100000 14.0270 0 2532 282 ARG NE NH1 -0.400000 14.0067 0 2533 282 ARG HE H 0.300000 1.00800 0 2534 282 ARG CZ C 0.500000 12.0110 0 2535 282 ARG NH1 NC2 -0.450000 14.0067 0 2536 282 ARG HH11 HC 0.350000 1.00800 0 2537 282 ARG HH12 HC 0.350000 1.00800 0 2538 282 ARG NH2 NC2 -0.450000 14.0067 0 2539 282 ARG HH21 HC 0.350000 1.00800 0 2540 282 ARG HH22 HC 0.350000 1.00800 0 2541 282 ARG C C 0.550000 12.0110 0 2542 282 ARG O O -0.550000 15.9994 0 2543 283 ALA N NH1 -0.350000 14.0067 0 2544 283 ALA H H 0.250000 1.00800 0 2545 283 ALA CA CH1E 0.100000 13.0190 0 2546 283 ALA CB CH3E 0.000000E+00 15.0350 0 2547 283 ALA C C 0.550000 12.0110 0 2548 283 ALA O O -0.550000 15.9994 0 2549 284 PHE N NH1 -0.350000 14.0067 0 2550 284 PHE H H 0.250000 1.00800 0 2551 284 PHE CA CH1E 0.100000 13.0190 0 2552 284 PHE CB CH2E 0.000000E+00 14.0270 0 2553 284 PHE CG CF 0.000000E+00 12.0110 0 2554 284 PHE CD1 CR1E 0.000000E+00 13.0190 0 2555 284 PHE CD2 CR1E 0.000000E+00 13.0190 0 2556 284 PHE CE1 CR1E 0.000000E+00 13.0190 0 2557 284 PHE CE2 CR1E 0.000000E+00 13.0190 0 2558 284 PHE CZ CR1E 0.000000E+00 13.0190 0 2559 284 PHE C C 0.550000 12.0110 0 2560 284 PHE O O -0.550000 15.9994 0 2561 285 SER N NH1 -0.350000 14.0067 0 2562 285 SER H H 0.250000 1.00800 0 2563 285 SER CA CH1E 0.100000 13.0190 0 2564 285 SER CB CH2E 0.250000 14.0270 0 2565 285 SER OG OH1 -0.650000 15.9994 0 2566 285 SER HG H 0.400000 1.00800 0 2567 285 SER C C 0.550000 12.0110 0 2568 285 SER O O -0.550000 15.9994 0 2569 286 GLN N NH1 -0.350000 14.0067 0 2570 286 GLN H H 0.250000 1.00800 0 2571 286 GLN CA CH1E 0.100000 13.0190 0 2572 286 GLN CB CH2E 0.000000E+00 14.0270 0 2573 286 GLN CG CH2E 0.000000E+00 14.0270 0 2574 286 GLN CD C 0.550000 12.0110 0 2575 286 GLN OE1 O -0.550000 15.9994 0 2576 286 GLN NE2 NH2 -0.600000 14.0067 0 2577 286 GLN HE21 H 0.300000 1.00800 0 2578 286 GLN HE22 H 0.300000 1.00800 0 2579 286 GLN C C 0.550000 12.0110 0 2580 286 GLN O O -0.550000 15.9994 0 2581 287 MET N NH1 -0.350000 14.0067 0 2582 287 MET H H 0.250000 1.00800 0 2583 287 MET CA CH1E 0.100000 13.0190 0 2584 287 MET CB CH2E 0.000000E+00 14.0270 0 2585 287 MET CG CH2E 0.600000E-01 14.0270 0 2586 287 MET SD SM -0.120000 32.0600 0 2587 287 MET CE CH3E 0.600000E-01 15.0350 0 2588 287 MET C C 0.550000 12.0110 0 2589 287 MET O O -0.550000 15.9994 0 2590 288 LYS N NH1 -0.350000 14.0067 0 2591 288 LYS H H 0.250000 1.00800 0 2592 288 LYS CA CH1E 0.100000 13.0190 0 2593 288 LYS CB CH2E 0.000000E+00 14.0270 0 2594 288 LYS CG CH2E 0.000000E+00 14.0270 0 2595 288 LYS CD CH2E 0.000000E+00 14.0270 0 2596 288 LYS CE CH2E 0.250000 14.0270 0 2597 288 LYS NZ NH3 -0.300000 14.0067 0 2598 288 LYS HZ1 HC 0.350000 1.00800 0 2599 288 LYS HZ2 HC 0.350000 1.00800 0 2600 288 LYS HZ3 HC 0.350000 1.00800 0 2601 288 LYS C C 0.550000 12.0110 0 2602 288 LYS O O -0.550000 15.9994 0 2603 289 ALA N NH1 -0.350000 14.0067 0 2604 289 ALA H H 0.250000 1.00800 0 2605 289 ALA CA CH1E 0.100000 13.0190 0 2606 289 ALA CB CH3E 0.000000E+00 15.0350 0 2607 289 ALA C C 0.550000 12.0110 0 2608 289 ALA O O -0.550000 15.9994 0 2609 290 ALA N NH1 -0.350000 14.0067 0 2610 290 ALA H H 0.250000 1.00800 0 2611 290 ALA CA CH1E 0.100000 13.0190 0 2612 290 ALA CB CH3E 0.000000E+00 15.0350 0 2613 290 ALA C C 0.550000 12.0110 0 2614 290 ALA O O -0.550000 15.9994 0 2615 291 ILE N NH1 -0.350000 14.0067 0 2616 291 ILE H H 0.250000 1.00800 0 2617 291 ILE CA CH1E 0.100000 13.0190 0 2618 291 ILE CB CH1E 0.000000E+00 13.0190 0 2619 291 ILE CG2 CH3E 0.000000E+00 15.0350 0 2620 291 ILE CG1 CH2E 0.000000E+00 14.0270 0 2621 291 ILE CD1 CH3E 0.000000E+00 15.0350 0 2622 291 ILE C C 0.550000 12.0110 0 2623 291 ILE O O -0.550000 15.9994 0 2624 292 ARG N NH1 -0.350000 14.0067 0 2625 292 ARG H H 0.250000 1.00800 0 2626 292 ARG CA CH1E 0.100000 13.0190 0 2627 292 ARG CB CH2E 0.000000E+00 14.0270 0 2628 292 ARG CG CH2E 0.000000E+00 14.0270 0 2629 292 ARG CD CH2E 0.100000 14.0270 0 2630 292 ARG NE NH1 -0.400000 14.0067 0 2631 292 ARG HE H 0.300000 1.00800 0 2632 292 ARG CZ C 0.500000 12.0110 0 2633 292 ARG NH1 NC2 -0.450000 14.0067 0 2634 292 ARG HH11 HC 0.350000 1.00800 0 2635 292 ARG HH12 HC 0.350000 1.00800 0 2636 292 ARG NH2 NC2 -0.450000 14.0067 0 2637 292 ARG HH21 HC 0.350000 1.00800 0 2638 292 ARG HH22 HC 0.350000 1.00800 0 2639 292 ARG C C 0.550000 12.0110 0 2640 292 ARG O O -0.550000 15.9994 0 2641 293 ALA N NH1 -0.350000 14.0067 0 2642 293 ALA H H 0.250000 1.00800 0 2643 293 ALA CA CH1E 0.100000 13.0190 0 2644 293 ALA CB CH3E 0.000000E+00 15.0350 0 2645 293 ALA C C 0.550000 12.0110 0 2646 293 ALA O O -0.550000 15.9994 0 2647 294 ASN N NH1 -0.350000 14.0067 0 2648 294 ASN H H 0.250000 1.00800 0 2649 294 ASN CA CH1E 0.100000 13.0190 0 2650 294 ASN CB CH2E 0.000000E+00 14.0270 0 2651 294 ASN CG C 0.550000 12.0110 0 2652 294 ASN OD1 O -0.550000 15.9994 0 2653 294 ASN ND2 NH2 -0.600000 14.0067 0 2654 294 ASN HD21 H 0.300000 1.00800 0 2655 294 ASN HD22 H 0.300000 1.00800 0 2656 294 ASN C C 0.550000 12.0110 0 2657 294 ASN O O -0.550000 15.9994 0 2658 295 TYR N NH1 -0.350000 14.0067 0 2659 295 TYR H H 0.250000 1.00800 0 2660 295 TYR CA CH1E 0.100000 13.0190 0 2661 295 TYR CB CH2E 0.000000E+00 14.0270 0 2662 295 TYR CG CY 0.000000E+00 12.0110 0 2663 295 TYR CD1 CR1E 0.000000E+00 13.0190 0 2664 295 TYR CE1 CR1E 0.000000E+00 13.0190 0 2665 295 TYR CD2 CR1E 0.000000E+00 13.0190 0 2666 295 TYR CE2 CR1E 0.000000E+00 13.0190 0 2667 295 TYR CZ CY2 0.250000 12.0110 0 2668 295 TYR OH OH1 -0.650000 15.9994 0 2669 295 TYR HH H 0.400000 1.00800 0 2670 295 TYR C C 0.550000 12.0110 0 2671 295 TYR O O -0.550000 15.9994 0 2672 296 SER N NH1 -0.350000 14.0067 0 2673 296 SER H H 0.250000 1.00800 0 2674 296 SER CA CH1E 0.100000 13.0190 0 2675 296 SER CB CH2E 0.250000 14.0270 0 2676 296 SER OG OH1 -0.650000 15.9994 0 2677 296 SER HG H 0.400000 1.00800 0 2678 296 SER C C 0.550000 12.0110 0 2679 296 SER O O -0.550000 15.9994 0 2680 297 ASN N NH1 -0.350000 14.0067 0 2681 297 ASN H H 0.250000 1.00800 0 2682 297 ASN CA CH1E 0.100000 13.0190 0 2683 297 ASN CB CH2E 0.000000E+00 14.0270 0 2684 297 ASN CG C 0.550000 12.0110 0 2685 297 ASN OD1 O -0.550000 15.9994 0 2686 297 ASN ND2 NH2 -0.600000 14.0067 0 2687 297 ASN HD21 H 0.300000 1.00800 0 2688 297 ASN HD22 H 0.300000 1.00800 0 2689 297 ASN C C 0.550000 12.0110 0 2690 297 ASN O O -0.550000 15.9994 0 2691 298 PRO N N -0.200000 14.0067 0 2692 298 PRO CD CH2P 0.100000 14.0270 0 2693 298 PRO CA CH1E 0.100000 13.0190 0 2694 298 PRO CB CH2E 0.000000E+00 14.0270 0 2695 298 PRO CG CH2P 0.000000E+00 14.0270 0 2696 298 PRO C C 0.550000 12.0110 0 2697 298 PRO O O -0.550000 15.9994 0 2698 299 PRO N N -0.200000 14.0067 0 2699 299 PRO CD CH2P 0.100000 14.0270 0 2700 299 PRO CA CH1E 0.100000 13.0190 0 2701 299 PRO CB CH2E 0.000000E+00 14.0270 0 2702 299 PRO CG CH2P 0.000000E+00 14.0270 0 2703 299 PRO C C 0.550000 12.0110 0 2704 299 PRO O O -0.550000 15.9994 0 2705 300 ALA N NH1 -0.350000 14.0067 0 2706 300 ALA H H 0.250000 1.00800 0 2707 300 ALA CA CH1E 0.100000 13.0190 0 2708 300 ALA CB CH3E 0.000000E+00 15.0350 0 2709 300 ALA C C 0.550000 12.0110 0 2710 300 ALA O O -0.550000 15.9994 0 2711 301 HIS N NH1 -0.350000 14.0067 0 2712 301 HIS H H 0.250000 1.00800 0 2713 301 HIS CA CH1E 0.100000 13.0190 0 2714 301 HIS CB CH2E 0.100000 14.0270 0 2715 301 HIS CG C5 0.150000 12.0110 0 2716 301 HIS CD2 CR1H 0.200000 13.0190 0 2717 301 HIS ND1 NH1 -0.300000 14.0067 0 2718 301 HIS HD1 H 0.350000 1.00800 0 2719 301 HIS CE1 CRHH 0.450000 13.0190 0 2720 301 HIS NE2 NH1 -0.300000 14.0067 0 2721 301 HIS HE2 H 0.350000 1.00800 0 2722 301 HIS C C 0.550000 12.0110 0 2723 301 HIS O O -0.550000 15.9994 0 2724 302 GLY N NH1 -0.350000 14.0067 0 2725 302 GLY H H 0.250000 1.00800 0 2726 302 GLY CA CH2G 0.100000 14.0270 0 2727 302 GLY C C 0.550000 12.0110 0 2728 302 GLY O O -0.550000 15.9994 0 2729 303 ALA N NH1 -0.350000 14.0067 0 2730 303 ALA H H 0.250000 1.00800 0 2731 303 ALA CA CH1E 0.100000 13.0190 0 2732 303 ALA CB CH3E 0.000000E+00 15.0350 0 2733 303 ALA C C 0.550000 12.0110 0 2734 303 ALA O O -0.550000 15.9994 0 2735 304 SER N NH1 -0.350000 14.0067 0 2736 304 SER H H 0.250000 1.00800 0 2737 304 SER CA CH1E 0.100000 13.0190 0 2738 304 SER CB CH2E 0.250000 14.0270 0 2739 304 SER OG OH1 -0.650000 15.9994 0 2740 304 SER HG H 0.400000 1.00800 0 2741 304 SER C C 0.550000 12.0110 0 2742 304 SER O O -0.550000 15.9994 0 2743 305 VAL N NH1 -0.350000 14.0067 0 2744 305 VAL H H 0.250000 1.00800 0 2745 305 VAL CA CH1E 0.100000 13.0190 0 2746 305 VAL CB CH1E 0.000000E+00 13.0190 0 2747 305 VAL CG1 CH3E 0.000000E+00 15.0350 0 2748 305 VAL CG2 CH3E 0.000000E+00 15.0350 0 2749 305 VAL C C 0.550000 12.0110 0 2750 305 VAL O O -0.550000 15.9994 0 2751 306 VAL N NH1 -0.350000 14.0067 0 2752 306 VAL H H 0.250000 1.00800 0 2753 306 VAL CA CH1E 0.100000 13.0190 0 2754 306 VAL CB CH1E 0.000000E+00 13.0190 0 2755 306 VAL CG1 CH3E 0.000000E+00 15.0350 0 2756 306 VAL CG2 CH3E 0.000000E+00 15.0350 0 2757 306 VAL C C 0.550000 12.0110 0 2758 306 VAL O O -0.550000 15.9994 0 2759 307 ALA N NH1 -0.350000 14.0067 0 2760 307 ALA H H 0.250000 1.00800 0 2761 307 ALA CA CH1E 0.100000 13.0190 0 2762 307 ALA CB CH3E 0.000000E+00 15.0350 0 2763 307 ALA C C 0.550000 12.0110 0 2764 307 ALA O O -0.550000 15.9994 0 2765 308 THR N NH1 -0.350000 14.0067 0 2766 308 THR H H 0.250000 1.00800 0 2767 308 THR CA CH1E 0.100000 13.0190 0 2768 308 THR CB CH1E 0.250000 13.0190 0 2769 308 THR OG1 OH1 -0.650000 15.9994 0 2770 308 THR HG1 H 0.400000 1.00800 0 2771 308 THR CG2 CH3E 0.000000E+00 15.0350 0 2772 308 THR C C 0.550000 12.0110 0 2773 308 THR O O -0.550000 15.9994 0 2774 309 ILE N NH1 -0.350000 14.0067 0 2775 309 ILE H H 0.250000 1.00800 0 2776 309 ILE CA CH1E 0.100000 13.0190 0 2777 309 ILE CB CH1E 0.000000E+00 13.0190 0 2778 309 ILE CG2 CH3E 0.000000E+00 15.0350 0 2779 309 ILE CG1 CH2E 0.000000E+00 14.0270 0 2780 309 ILE CD1 CH3E 0.000000E+00 15.0350 0 2781 309 ILE C C 0.550000 12.0110 0 2782 309 ILE O O -0.550000 15.9994 0 2783 310 LEU N NH1 -0.350000 14.0067 0 2784 310 LEU H H 0.250000 1.00800 0 2785 310 LEU CA CH1E 0.100000 13.0190 0 2786 310 LEU CB CH2E 0.000000E+00 14.0270 0 2787 310 LEU CG CH1E 0.000000E+00 13.0190 0 2788 310 LEU CD1 CH3E 0.000000E+00 15.0350 0 2789 310 LEU CD2 CH3E 0.000000E+00 15.0350 0 2790 310 LEU C C 0.550000 12.0110 0 2791 310 LEU O O -0.550000 15.9994 0 2792 311 SER N NH1 -0.350000 14.0067 0 2793 311 SER H H 0.250000 1.00800 0 2794 311 SER CA CH1E 0.100000 13.0190 0 2795 311 SER CB CH2E 0.250000 14.0270 0 2796 311 SER OG OH1 -0.650000 15.9994 0 2797 311 SER HG H 0.400000 1.00800 0 2798 311 SER C C 0.550000 12.0110 0 2799 311 SER O O -0.550000 15.9994 0 2800 312 ASN N NH1 -0.350000 14.0067 0 2801 312 ASN H H 0.250000 1.00800 0 2802 312 ASN CA CH1E 0.100000 13.0190 0 2803 312 ASN CB CH2E 0.000000E+00 14.0270 0 2804 312 ASN CG C 0.550000 12.0110 0 2805 312 ASN OD1 O -0.550000 15.9994 0 2806 312 ASN ND2 NH2 -0.600000 14.0067 0 2807 312 ASN HD21 H 0.300000 1.00800 0 2808 312 ASN HD22 H 0.300000 1.00800 0 2809 312 ASN C C 0.550000 12.0110 0 2810 312 ASN O O -0.550000 15.9994 0 2811 313 ASP N NH1 -0.350000 14.0067 0 2812 313 ASP H H 0.250000 1.00800 0 2813 313 ASP CA CH1E 0.100000 13.0190 0 2814 313 ASP CB CH2E -0.160000 14.0270 0 2815 313 ASP CG C 0.360000 12.0110 0 2816 313 ASP OD1 OC -0.600000 15.9994 0 2817 313 ASP OD2 OC -0.600000 15.9994 0 2818 313 ASP C C 0.550000 12.0110 0 2819 313 ASP O O -0.550000 15.9994 0 2820 314 ALA N NH1 -0.350000 14.0067 0 2821 314 ALA H H 0.250000 1.00800 0 2822 314 ALA CA CH1E 0.100000 13.0190 0 2823 314 ALA CB CH3E 0.000000E+00 15.0350 0 2824 314 ALA C C 0.550000 12.0110 0 2825 314 ALA O O -0.550000 15.9994 0 2826 315 LEU N NH1 -0.350000 14.0067 0 2827 315 LEU H H 0.250000 1.00800 0 2828 315 LEU CA CH1E 0.100000 13.0190 0 2829 315 LEU CB CH2E 0.000000E+00 14.0270 0 2830 315 LEU CG CH1E 0.000000E+00 13.0190 0 2831 315 LEU CD1 CH3E 0.000000E+00 15.0350 0 2832 315 LEU CD2 CH3E 0.000000E+00 15.0350 0 2833 315 LEU C C 0.550000 12.0110 0 2834 315 LEU O O -0.550000 15.9994 0 2835 316 ARG N NH1 -0.350000 14.0067 0 2836 316 ARG H H 0.250000 1.00800 0 2837 316 ARG CA CH1E 0.100000 13.0190 0 2838 316 ARG CB CH2E 0.000000E+00 14.0270 0 2839 316 ARG CG CH2E 0.000000E+00 14.0270 0 2840 316 ARG CD CH2E 0.100000 14.0270 0 2841 316 ARG NE NH1 -0.400000 14.0067 0 2842 316 ARG HE H 0.300000 1.00800 0 2843 316 ARG CZ C 0.500000 12.0110 0 2844 316 ARG NH1 NC2 -0.450000 14.0067 0 2845 316 ARG HH11 HC 0.350000 1.00800 0 2846 316 ARG HH12 HC 0.350000 1.00800 0 2847 316 ARG NH2 NC2 -0.450000 14.0067 0 2848 316 ARG HH21 HC 0.350000 1.00800 0 2849 316 ARG HH22 HC 0.350000 1.00800 0 2850 316 ARG C C 0.550000 12.0110 0 2851 316 ARG O O -0.550000 15.9994 0 2852 317 ALA N NH1 -0.350000 14.0067 0 2853 317 ALA H H 0.250000 1.00800 0 2854 317 ALA CA CH1E 0.100000 13.0190 0 2855 317 ALA CB CH3E 0.000000E+00 15.0350 0 2856 317 ALA C C 0.550000 12.0110 0 2857 317 ALA O O -0.550000 15.9994 0 2858 318 ILE N NH1 -0.350000 14.0067 0 2859 318 ILE H H 0.250000 1.00800 0 2860 318 ILE CA CH1E 0.100000 13.0190 0 2861 318 ILE CB CH1E 0.000000E+00 13.0190 0 2862 318 ILE CG2 CH3E 0.000000E+00 15.0350 0 2863 318 ILE CG1 CH2E 0.000000E+00 14.0270 0 2864 318 ILE CD1 CH3E 0.000000E+00 15.0350 0 2865 318 ILE C C 0.550000 12.0110 0 2866 318 ILE O O -0.550000 15.9994 0 2867 319 TRP N NH1 -0.350000 14.0067 0 2868 319 TRP H H 0.250000 1.00800 0 2869 319 TRP CA CH1E 0.100000 13.0190 0 2870 319 TRP CB CH2E 0.000000E+00 14.0270 0 2871 319 TRP CG C5W -0.300000E-01 12.0110 0 2872 319 TRP CD2 CW 0.100000 12.0110 0 2873 319 TRP CE2 CW -0.400000E-01 12.0110 0 2874 319 TRP CE3 CR1E -0.300000E-01 13.0190 0 2875 319 TRP CD1 CR1E 0.600000E-01 13.0190 0 2876 319 TRP NE1 NH1 -0.360000 14.0067 0 2877 319 TRP HE1 H 0.300000 1.00800 0 2878 319 TRP CZ2 CR1W 0.000000E+00 13.0190 0 2879 319 TRP CZ3 CR1E 0.000000E+00 13.0190 0 2880 319 TRP CH2 CR1W 0.000000E+00 13.0190 0 2881 319 TRP C C 0.550000 12.0110 0 2882 319 TRP O O -0.550000 15.9994 0 2883 320 GLU N NH1 -0.350000 14.0067 0 2884 320 GLU H H 0.250000 1.00800 0 2885 320 GLU CA CH1E 0.100000 13.0190 0 2886 320 GLU CB CH2E 0.000000E+00 14.0270 0 2887 320 GLU CG CH2E -0.160000 14.0270 0 2888 320 GLU CD C 0.360000 12.0110 0 2889 320 GLU OE1 OC -0.600000 15.9994 0 2890 320 GLU OE2 OC -0.600000 15.9994 0 2891 320 GLU C C 0.550000 12.0110 0 2892 320 GLU O O -0.550000 15.9994 0 2893 321 GLN N NH1 -0.350000 14.0067 0 2894 321 GLN H H 0.250000 1.00800 0 2895 321 GLN CA CH1E 0.100000 13.0190 0 2896 321 GLN CB CH2E 0.000000E+00 14.0270 0 2897 321 GLN CG CH2E 0.000000E+00 14.0270 0 2898 321 GLN CD C 0.550000 12.0110 0 2899 321 GLN OE1 O -0.550000 15.9994 0 2900 321 GLN NE2 NH2 -0.600000 14.0067 0 2901 321 GLN HE21 H 0.300000 1.00800 0 2902 321 GLN HE22 H 0.300000 1.00800 0 2903 321 GLN C C 0.550000 12.0110 0 2904 321 GLN O O -0.550000 15.9994 0 2905 322 GLU N NH1 -0.350000 14.0067 0 2906 322 GLU H H 0.250000 1.00800 0 2907 322 GLU CA CH1E 0.100000 13.0190 0 2908 322 GLU CB CH2E 0.000000E+00 14.0270 0 2909 322 GLU CG CH2E -0.160000 14.0270 0 2910 322 GLU CD C 0.360000 12.0110 0 2911 322 GLU OE1 OC -0.600000 15.9994 0 2912 322 GLU OE2 OC -0.600000 15.9994 0 2913 322 GLU C C 0.550000 12.0110 0 2914 322 GLU O O -0.550000 15.9994 0 2915 323 LEU N NH1 -0.350000 14.0067 0 2916 323 LEU H H 0.250000 1.00800 0 2917 323 LEU CA CH1E 0.100000 13.0190 0 2918 323 LEU CB CH2E 0.000000E+00 14.0270 0 2919 323 LEU CG CH1E 0.000000E+00 13.0190 0 2920 323 LEU CD1 CH3E 0.000000E+00 15.0350 0 2921 323 LEU CD2 CH3E 0.000000E+00 15.0350 0 2922 323 LEU C C 0.550000 12.0110 0 2923 323 LEU O O -0.550000 15.9994 0 2924 324 THR N NH1 -0.350000 14.0067 0 2925 324 THR H H 0.250000 1.00800 0 2926 324 THR CA CH1E 0.100000 13.0190 0 2927 324 THR CB CH1E 0.250000 13.0190 0 2928 324 THR OG1 OH1 -0.650000 15.9994 0 2929 324 THR HG1 H 0.400000 1.00800 0 2930 324 THR CG2 CH3E 0.000000E+00 15.0350 0 2931 324 THR C C 0.550000 12.0110 0 2932 324 THR O O -0.550000 15.9994 0 2933 325 ASP N NH1 -0.350000 14.0067 0 2934 325 ASP H H 0.250000 1.00800 0 2935 325 ASP CA CH1E 0.100000 13.0190 0 2936 325 ASP CB CH2E -0.160000 14.0270 0 2937 325 ASP CG C 0.360000 12.0110 0 2938 325 ASP OD1 OC -0.600000 15.9994 0 2939 325 ASP OD2 OC -0.600000 15.9994 0 2940 325 ASP C C 0.550000 12.0110 0 2941 325 ASP O O -0.550000 15.9994 0 2942 326 MET N NH1 -0.350000 14.0067 0 2943 326 MET H H 0.250000 1.00800 0 2944 326 MET CA CH1E 0.100000 13.0190 0 2945 326 MET CB CH2E 0.000000E+00 14.0270 0 2946 326 MET CG CH2E 0.600000E-01 14.0270 0 2947 326 MET SD SM -0.120000 32.0600 0 2948 326 MET CE CH3E 0.600000E-01 15.0350 0 2949 326 MET C C 0.550000 12.0110 0 2950 326 MET O O -0.550000 15.9994 0 2951 327 ARG N NH1 -0.350000 14.0067 0 2952 327 ARG H H 0.250000 1.00800 0 2953 327 ARG CA CH1E 0.100000 13.0190 0 2954 327 ARG CB CH2E 0.000000E+00 14.0270 0 2955 327 ARG CG CH2E 0.000000E+00 14.0270 0 2956 327 ARG CD CH2E 0.100000 14.0270 0 2957 327 ARG NE NH1 -0.400000 14.0067 0 2958 327 ARG HE H 0.300000 1.00800 0 2959 327 ARG CZ C 0.500000 12.0110 0 2960 327 ARG NH1 NC2 -0.450000 14.0067 0 2961 327 ARG HH11 HC 0.350000 1.00800 0 2962 327 ARG HH12 HC 0.350000 1.00800 0 2963 327 ARG NH2 NC2 -0.450000 14.0067 0 2964 327 ARG HH21 HC 0.350000 1.00800 0 2965 327 ARG HH22 HC 0.350000 1.00800 0 2966 327 ARG C C 0.550000 12.0110 0 2967 327 ARG O O -0.550000 15.9994 0 2968 328 GLN N NH1 -0.350000 14.0067 0 2969 328 GLN H H 0.250000 1.00800 0 2970 328 GLN CA CH1E 0.100000 13.0190 0 2971 328 GLN CB CH2E 0.000000E+00 14.0270 0 2972 328 GLN CG CH2E 0.000000E+00 14.0270 0 2973 328 GLN CD C 0.550000 12.0110 0 2974 328 GLN OE1 O -0.550000 15.9994 0 2975 328 GLN NE2 NH2 -0.600000 14.0067 0 2976 328 GLN HE21 H 0.300000 1.00800 0 2977 328 GLN HE22 H 0.300000 1.00800 0 2978 328 GLN C C 0.550000 12.0110 0 2979 328 GLN O O -0.550000 15.9994 0 2980 329 ARG N NH1 -0.350000 14.0067 0 2981 329 ARG H H 0.250000 1.00800 0 2982 329 ARG CA CH1E 0.100000 13.0190 0 2983 329 ARG CB CH2E 0.000000E+00 14.0270 0 2984 329 ARG CG CH2E 0.000000E+00 14.0270 0 2985 329 ARG CD CH2E 0.100000 14.0270 0 2986 329 ARG NE NH1 -0.400000 14.0067 0 2987 329 ARG HE H 0.300000 1.00800 0 2988 329 ARG CZ C 0.500000 12.0110 0 2989 329 ARG NH1 NC2 -0.450000 14.0067 0 2990 329 ARG HH11 HC 0.350000 1.00800 0 2991 329 ARG HH12 HC 0.350000 1.00800 0 2992 329 ARG NH2 NC2 -0.450000 14.0067 0 2993 329 ARG HH21 HC 0.350000 1.00800 0 2994 329 ARG HH22 HC 0.350000 1.00800 0 2995 329 ARG C C 0.550000 12.0110 0 2996 329 ARG O O -0.550000 15.9994 0 2997 330 ILE N NH1 -0.350000 14.0067 0 2998 330 ILE H H 0.250000 1.00800 0 2999 330 ILE CA CH1E 0.100000 13.0190 0 3000 330 ILE CB CH1E 0.000000E+00 13.0190 0 3001 330 ILE CG2 CH3E 0.000000E+00 15.0350 0 3002 330 ILE CG1 CH2E 0.000000E+00 14.0270 0 3003 330 ILE CD1 CH3E 0.000000E+00 15.0350 0 3004 330 ILE C C 0.550000 12.0110 0 3005 330 ILE O O -0.550000 15.9994 0 3006 331 GLN N NH1 -0.350000 14.0067 0 3007 331 GLN H H 0.250000 1.00800 0 3008 331 GLN CA CH1E 0.100000 13.0190 0 3009 331 GLN CB CH2E 0.000000E+00 14.0270 0 3010 331 GLN CG CH2E 0.000000E+00 14.0270 0 3011 331 GLN CD C 0.550000 12.0110 0 3012 331 GLN OE1 O -0.550000 15.9994 0 3013 331 GLN NE2 NH2 -0.600000 14.0067 0 3014 331 GLN HE21 H 0.300000 1.00800 0 3015 331 GLN HE22 H 0.300000 1.00800 0 3016 331 GLN C C 0.550000 12.0110 0 3017 331 GLN O O -0.550000 15.9994 0 3018 332 ARG N NH1 -0.350000 14.0067 0 3019 332 ARG H H 0.250000 1.00800 0 3020 332 ARG CA CH1E 0.100000 13.0190 0 3021 332 ARG CB CH2E 0.000000E+00 14.0270 0 3022 332 ARG CG CH2E 0.000000E+00 14.0270 0 3023 332 ARG CD CH2E 0.100000 14.0270 0 3024 332 ARG NE NH1 -0.400000 14.0067 0 3025 332 ARG HE H 0.300000 1.00800 0 3026 332 ARG CZ C 0.500000 12.0110 0 3027 332 ARG NH1 NC2 -0.450000 14.0067 0 3028 332 ARG HH11 HC 0.350000 1.00800 0 3029 332 ARG HH12 HC 0.350000 1.00800 0 3030 332 ARG NH2 NC2 -0.450000 14.0067 0 3031 332 ARG HH21 HC 0.350000 1.00800 0 3032 332 ARG HH22 HC 0.350000 1.00800 0 3033 332 ARG C C 0.550000 12.0110 0 3034 332 ARG O O -0.550000 15.9994 0 3035 333 MET N NH1 -0.350000 14.0067 0 3036 333 MET H H 0.250000 1.00800 0 3037 333 MET CA CH1E 0.100000 13.0190 0 3038 333 MET CB CH2E 0.000000E+00 14.0270 0 3039 333 MET CG CH2E 0.600000E-01 14.0270 0 3040 333 MET SD SM -0.120000 32.0600 0 3041 333 MET CE CH3E 0.600000E-01 15.0350 0 3042 333 MET C C 0.550000 12.0110 0 3043 333 MET O O -0.550000 15.9994 0 3044 334 ARG N NH1 -0.350000 14.0067 0 3045 334 ARG H H 0.250000 1.00800 0 3046 334 ARG CA CH1E 0.100000 13.0190 0 3047 334 ARG CB CH2E 0.000000E+00 14.0270 0 3048 334 ARG CG CH2E 0.000000E+00 14.0270 0 3049 334 ARG CD CH2E 0.100000 14.0270 0 3050 334 ARG NE NH1 -0.400000 14.0067 0 3051 334 ARG HE H 0.300000 1.00800 0 3052 334 ARG CZ C 0.500000 12.0110 0 3053 334 ARG NH1 NC2 -0.450000 14.0067 0 3054 334 ARG HH11 HC 0.350000 1.00800 0 3055 334 ARG HH12 HC 0.350000 1.00800 0 3056 334 ARG NH2 NC2 -0.450000 14.0067 0 3057 334 ARG HH21 HC 0.350000 1.00800 0 3058 334 ARG HH22 HC 0.350000 1.00800 0 3059 334 ARG C C 0.550000 12.0110 0 3060 334 ARG O O -0.550000 15.9994 0 3061 335 GLN N NH1 -0.350000 14.0067 0 3062 335 GLN H H 0.250000 1.00800 0 3063 335 GLN CA CH1E 0.100000 13.0190 0 3064 335 GLN CB CH2E 0.000000E+00 14.0270 0 3065 335 GLN CG CH2E 0.000000E+00 14.0270 0 3066 335 GLN CD C 0.550000 12.0110 0 3067 335 GLN OE1 O -0.550000 15.9994 0 3068 335 GLN NE2 NH2 -0.600000 14.0067 0 3069 335 GLN HE21 H 0.300000 1.00800 0 3070 335 GLN HE22 H 0.300000 1.00800 0 3071 335 GLN C C 0.550000 12.0110 0 3072 335 GLN O O -0.550000 15.9994 0 3073 336 LEU N NH1 -0.350000 14.0067 0 3074 336 LEU H H 0.250000 1.00800 0 3075 336 LEU CA CH1E 0.100000 13.0190 0 3076 336 LEU CB CH2E 0.000000E+00 14.0270 0 3077 336 LEU CG CH1E 0.000000E+00 13.0190 0 3078 336 LEU CD1 CH3E 0.000000E+00 15.0350 0 3079 336 LEU CD2 CH3E 0.000000E+00 15.0350 0 3080 336 LEU C C 0.550000 12.0110 0 3081 336 LEU O O -0.550000 15.9994 0 3082 337 PHE N NH1 -0.350000 14.0067 0 3083 337 PHE H H 0.250000 1.00800 0 3084 337 PHE CA CH1E 0.100000 13.0190 0 3085 337 PHE CB CH2E 0.000000E+00 14.0270 0 3086 337 PHE CG CF 0.000000E+00 12.0110 0 3087 337 PHE CD1 CR1E 0.000000E+00 13.0190 0 3088 337 PHE CD2 CR1E 0.000000E+00 13.0190 0 3089 337 PHE CE1 CR1E 0.000000E+00 13.0190 0 3090 337 PHE CE2 CR1E 0.000000E+00 13.0190 0 3091 337 PHE CZ CR1E 0.000000E+00 13.0190 0 3092 337 PHE C C 0.550000 12.0110 0 3093 337 PHE O O -0.550000 15.9994 0 3094 338 VAL N NH1 -0.350000 14.0067 0 3095 338 VAL H H 0.250000 1.00800 0 3096 338 VAL CA CH1E 0.100000 13.0190 0 3097 338 VAL CB CH1E 0.000000E+00 13.0190 0 3098 338 VAL CG1 CH3E 0.000000E+00 15.0350 0 3099 338 VAL CG2 CH3E 0.000000E+00 15.0350 0 3100 338 VAL C C 0.550000 12.0110 0 3101 338 VAL O O -0.550000 15.9994 0 3102 339 ASN N NH1 -0.350000 14.0067 0 3103 339 ASN H H 0.250000 1.00800 0 3104 339 ASN CA CH1E 0.100000 13.0190 0 3105 339 ASN CB CH2E 0.000000E+00 14.0270 0 3106 339 ASN CG C 0.550000 12.0110 0 3107 339 ASN OD1 O -0.550000 15.9994 0 3108 339 ASN ND2 NH2 -0.600000 14.0067 0 3109 339 ASN HD21 H 0.300000 1.00800 0 3110 339 ASN HD22 H 0.300000 1.00800 0 3111 339 ASN C C 0.550000 12.0110 0 3112 339 ASN O O -0.550000 15.9994 0 3113 340 THR N NH1 -0.350000 14.0067 0 3114 340 THR H H 0.250000 1.00800 0 3115 340 THR CA CH1E 0.100000 13.0190 0 3116 340 THR CB CH1E 0.250000 13.0190 0 3117 340 THR OG1 OH1 -0.650000 15.9994 0 3118 340 THR HG1 H 0.400000 1.00800 0 3119 340 THR CG2 CH3E 0.000000E+00 15.0350 0 3120 340 THR C C 0.550000 12.0110 0 3121 340 THR O O -0.550000 15.9994 0 3122 341 LEU N NH1 -0.350000 14.0067 0 3123 341 LEU H H 0.250000 1.00800 0 3124 341 LEU CA CH1E 0.100000 13.0190 0 3125 341 LEU CB CH2E 0.000000E+00 14.0270 0 3126 341 LEU CG CH1E 0.000000E+00 13.0190 0 3127 341 LEU CD1 CH3E 0.000000E+00 15.0350 0 3128 341 LEU CD2 CH3E 0.000000E+00 15.0350 0 3129 341 LEU C C 0.550000 12.0110 0 3130 341 LEU O O -0.550000 15.9994 0 3131 342 GLN N NH1 -0.350000 14.0067 0 3132 342 GLN H H 0.250000 1.00800 0 3133 342 GLN CA CH1E 0.100000 13.0190 0 3134 342 GLN CB CH2E 0.000000E+00 14.0270 0 3135 342 GLN CG CH2E 0.000000E+00 14.0270 0 3136 342 GLN CD C 0.550000 12.0110 0 3137 342 GLN OE1 O -0.550000 15.9994 0 3138 342 GLN NE2 NH2 -0.600000 14.0067 0 3139 342 GLN HE21 H 0.300000 1.00800 0 3140 342 GLN HE22 H 0.300000 1.00800 0 3141 342 GLN C C 0.550000 12.0110 0 3142 342 GLN O O -0.550000 15.9994 0 3143 343 GLU N NH1 -0.350000 14.0067 0 3144 343 GLU H H 0.250000 1.00800 0 3145 343 GLU CA CH1E 0.100000 13.0190 0 3146 343 GLU CB CH2E 0.000000E+00 14.0270 0 3147 343 GLU CG CH2E -0.160000 14.0270 0 3148 343 GLU CD C 0.360000 12.0110 0 3149 343 GLU OE1 OC -0.600000 15.9994 0 3150 343 GLU OE2 OC -0.600000 15.9994 0 3151 343 GLU C C 0.550000 12.0110 0 3152 343 GLU O O -0.550000 15.9994 0 3153 344 LYS N NH1 -0.350000 14.0067 0 3154 344 LYS H H 0.250000 1.00800 0 3155 344 LYS CA CH1E 0.100000 13.0190 0 3156 344 LYS CB CH2E 0.000000E+00 14.0270 0 3157 344 LYS CG CH2E 0.000000E+00 14.0270 0 3158 344 LYS CD CH2E 0.000000E+00 14.0270 0 3159 344 LYS CE CH2E 0.250000 14.0270 0 3160 344 LYS NZ NH3 -0.300000 14.0067 0 3161 344 LYS HZ1 HC 0.350000 1.00800 0 3162 344 LYS HZ2 HC 0.350000 1.00800 0 3163 344 LYS HZ3 HC 0.350000 1.00800 0 3164 344 LYS C C 0.550000 12.0110 0 3165 344 LYS O O -0.550000 15.9994 0 3166 345 GLY N NH1 -0.350000 14.0067 0 3167 345 GLY H H 0.250000 1.00800 0 3168 345 GLY CA CH2G 0.100000 14.0270 0 3169 345 GLY C C 0.550000 12.0110 0 3170 345 GLY O O -0.550000 15.9994 0 3171 346 ALA N NH1 -0.350000 14.0067 0 3172 346 ALA H H 0.250000 1.00800 0 3173 346 ALA CA CH1E 0.100000 13.0190 0 3174 346 ALA CB CH3E 0.000000E+00 15.0350 0 3175 346 ALA C C 0.550000 12.0110 0 3176 346 ALA O O -0.550000 15.9994 0 3177 347 ASN N NH1 -0.350000 14.0067 0 3178 347 ASN H H 0.250000 1.00800 0 3179 347 ASN CA CH1E 0.100000 13.0190 0 3180 347 ASN CB CH2E 0.000000E+00 14.0270 0 3181 347 ASN CG C 0.550000 12.0110 0 3182 347 ASN OD1 O -0.550000 15.9994 0 3183 347 ASN ND2 NH2 -0.600000 14.0067 0 3184 347 ASN HD21 H 0.300000 1.00800 0 3185 347 ASN HD22 H 0.300000 1.00800 0 3186 347 ASN C C 0.550000 12.0110 0 3187 347 ASN O O -0.550000 15.9994 0 3188 348 ARG N NH1 -0.350000 14.0067 0 3189 348 ARG H H 0.250000 1.00800 0 3190 348 ARG CA CH1E 0.100000 13.0190 0 3191 348 ARG CB CH2E 0.000000E+00 14.0270 0 3192 348 ARG CG CH2E 0.000000E+00 14.0270 0 3193 348 ARG CD CH2E 0.100000 14.0270 0 3194 348 ARG NE NH1 -0.400000 14.0067 0 3195 348 ARG HE H 0.300000 1.00800 0 3196 348 ARG CZ C 0.500000 12.0110 0 3197 348 ARG NH1 NC2 -0.450000 14.0067 0 3198 348 ARG HH11 HC 0.350000 1.00800 0 3199 348 ARG HH12 HC 0.350000 1.00800 0 3200 348 ARG NH2 NC2 -0.450000 14.0067 0 3201 348 ARG HH21 HC 0.350000 1.00800 0 3202 348 ARG HH22 HC 0.350000 1.00800 0 3203 348 ARG C C 0.550000 12.0110 0 3204 348 ARG O O -0.550000 15.9994 0 3205 349 ASP N NH1 -0.350000 14.0067 0 3206 349 ASP H H 0.250000 1.00800 0 3207 349 ASP CA CH1E 0.100000 13.0190 0 3208 349 ASP CB CH2E -0.160000 14.0270 0 3209 349 ASP CG C 0.360000 12.0110 0 3210 349 ASP OD1 OC -0.600000 15.9994 0 3211 349 ASP OD2 OC -0.600000 15.9994 0 3212 349 ASP C C 0.550000 12.0110 0 3213 349 ASP O O -0.550000 15.9994 0 3214 350 PHE N NH1 -0.350000 14.0067 0 3215 350 PHE H H 0.250000 1.00800 0 3216 350 PHE CA CH1E 0.100000 13.0190 0 3217 350 PHE CB CH2E 0.000000E+00 14.0270 0 3218 350 PHE CG CF 0.000000E+00 12.0110 0 3219 350 PHE CD1 CR1E 0.000000E+00 13.0190 0 3220 350 PHE CD2 CR1E 0.000000E+00 13.0190 0 3221 350 PHE CE1 CR1E 0.000000E+00 13.0190 0 3222 350 PHE CE2 CR1E 0.000000E+00 13.0190 0 3223 350 PHE CZ CR1E 0.000000E+00 13.0190 0 3224 350 PHE C C 0.550000 12.0110 0 3225 350 PHE O O -0.550000 15.9994 0 3226 351 SER N NH1 -0.350000 14.0067 0 3227 351 SER H H 0.250000 1.00800 0 3228 351 SER CA CH1E 0.100000 13.0190 0 3229 351 SER CB CH2E 0.250000 14.0270 0 3230 351 SER OG OH1 -0.650000 15.9994 0 3231 351 SER HG H 0.400000 1.00800 0 3232 351 SER C C 0.550000 12.0110 0 3233 351 SER O O -0.550000 15.9994 0 3234 352 PHE N NH1 -0.350000 14.0067 0 3235 352 PHE H H 0.250000 1.00800 0 3236 352 PHE CA CH1E 0.100000 13.0190 0 3237 352 PHE CB CH2E 0.000000E+00 14.0270 0 3238 352 PHE CG CF 0.000000E+00 12.0110 0 3239 352 PHE CD1 CR1E 0.000000E+00 13.0190 0 3240 352 PHE CD2 CR1E 0.000000E+00 13.0190 0 3241 352 PHE CE1 CR1E 0.000000E+00 13.0190 0 3242 352 PHE CE2 CR1E 0.000000E+00 13.0190 0 3243 352 PHE CZ CR1E 0.000000E+00 13.0190 0 3244 352 PHE C C 0.550000 12.0110 0 3245 352 PHE O O -0.550000 15.9994 0 3246 353 ILE N NH1 -0.350000 14.0067 0 3247 353 ILE H H 0.250000 1.00800 0 3248 353 ILE CA CH1E 0.100000 13.0190 0 3249 353 ILE CB CH1E 0.000000E+00 13.0190 0 3250 353 ILE CG2 CH3E 0.000000E+00 15.0350 0 3251 353 ILE CG1 CH2E 0.000000E+00 14.0270 0 3252 353 ILE CD1 CH3E 0.000000E+00 15.0350 0 3253 353 ILE C C 0.550000 12.0110 0 3254 353 ILE O O -0.550000 15.9994 0 3255 354 ILE N NH1 -0.350000 14.0067 0 3256 354 ILE H H 0.250000 1.00800 0 3257 354 ILE CA CH1E 0.100000 13.0190 0 3258 354 ILE CB CH1E 0.000000E+00 13.0190 0 3259 354 ILE CG2 CH3E 0.000000E+00 15.0350 0 3260 354 ILE CG1 CH2E 0.000000E+00 14.0270 0 3261 354 ILE CD1 CH3E 0.000000E+00 15.0350 0 3262 354 ILE C C 0.550000 12.0110 0 3263 354 ILE O O -0.550000 15.9994 0 3264 355 LYS N NH1 -0.350000 14.0067 0 3265 355 LYS H H 0.250000 1.00800 0 3266 355 LYS CA CH1E 0.100000 13.0190 0 3267 355 LYS CB CH2E 0.000000E+00 14.0270 0 3268 355 LYS CG CH2E 0.000000E+00 14.0270 0 3269 355 LYS CD CH2E 0.000000E+00 14.0270 0 3270 355 LYS CE CH2E 0.250000 14.0270 0 3271 355 LYS NZ NH3 -0.300000 14.0067 0 3272 355 LYS HZ1 HC 0.350000 1.00800 0 3273 355 LYS HZ2 HC 0.350000 1.00800 0 3274 355 LYS HZ3 HC 0.350000 1.00800 0 3275 355 LYS C C 0.550000 12.0110 0 3276 355 LYS O O -0.550000 15.9994 0 3277 356 GLN N NH1 -0.350000 14.0067 0 3278 356 GLN H H 0.250000 1.00800 0 3279 356 GLN CA CH1E 0.100000 13.0190 0 3280 356 GLN CB CH2E 0.000000E+00 14.0270 0 3281 356 GLN CG CH2E 0.000000E+00 14.0270 0 3282 356 GLN CD C 0.550000 12.0110 0 3283 356 GLN OE1 O -0.550000 15.9994 0 3284 356 GLN NE2 NH2 -0.600000 14.0067 0 3285 356 GLN HE21 H 0.300000 1.00800 0 3286 356 GLN HE22 H 0.300000 1.00800 0 3287 356 GLN C C 0.550000 12.0110 0 3288 356 GLN O O -0.550000 15.9994 0 3289 357 ASN N NH1 -0.350000 14.0067 0 3290 357 ASN H H 0.250000 1.00800 0 3291 357 ASN CA CH1E 0.100000 13.0190 0 3292 357 ASN CB CH2E 0.000000E+00 14.0270 0 3293 357 ASN CG C 0.550000 12.0110 0 3294 357 ASN OD1 O -0.550000 15.9994 0 3295 357 ASN ND2 NH2 -0.600000 14.0067 0 3296 357 ASN HD21 H 0.300000 1.00800 0 3297 357 ASN HD22 H 0.300000 1.00800 0 3298 357 ASN C C 0.550000 12.0110 0 3299 357 ASN O O -0.550000 15.9994 0 3300 358 GLY N NH1 -0.350000 14.0067 0 3301 358 GLY H H 0.250000 1.00800 0 3302 358 GLY CA CH2G 0.100000 14.0270 0 3303 358 GLY C C 0.550000 12.0110 0 3304 358 GLY O O -0.550000 15.9994 0 3305 359 MET N NH1 -0.350000 14.0067 0 3306 359 MET H H 0.250000 1.00800 0 3307 359 MET CA CH1E 0.100000 13.0190 0 3308 359 MET CB CH2E 0.000000E+00 14.0270 0 3309 359 MET CG CH2E 0.600000E-01 14.0270 0 3310 359 MET SD SM -0.120000 32.0600 0 3311 359 MET CE CH3E 0.600000E-01 15.0350 0 3312 359 MET C C 0.550000 12.0110 0 3313 359 MET O O -0.550000 15.9994 0 3314 360 PHE N NH1 -0.350000 14.0067 0 3315 360 PHE H H 0.250000 1.00800 0 3316 360 PHE CA CH1E 0.100000 13.0190 0 3317 360 PHE CB CH2E 0.000000E+00 14.0270 0 3318 360 PHE CG CF 0.000000E+00 12.0110 0 3319 360 PHE CD1 CR1E 0.000000E+00 13.0190 0 3320 360 PHE CD2 CR1E 0.000000E+00 13.0190 0 3321 360 PHE CE1 CR1E 0.000000E+00 13.0190 0 3322 360 PHE CE2 CR1E 0.000000E+00 13.0190 0 3323 360 PHE CZ CR1E 0.000000E+00 13.0190 0 3324 360 PHE C C 0.550000 12.0110 0 3325 360 PHE O O -0.550000 15.9994 0 3326 361 SER N NH1 -0.350000 14.0067 0 3327 361 SER H H 0.250000 1.00800 0 3328 361 SER CA CH1E 0.100000 13.0190 0 3329 361 SER CB CH2E 0.250000 14.0270 0 3330 361 SER OG OH1 -0.650000 15.9994 0 3331 361 SER HG H 0.400000 1.00800 0 3332 361 SER C C 0.550000 12.0110 0 3333 361 SER O O -0.550000 15.9994 0 3334 362 PHE N NH1 -0.350000 14.0067 0 3335 362 PHE H H 0.250000 1.00800 0 3336 362 PHE CA CH1E 0.100000 13.0190 0 3337 362 PHE CB CH2E 0.000000E+00 14.0270 0 3338 362 PHE CG CF 0.000000E+00 12.0110 0 3339 362 PHE CD1 CR1E 0.000000E+00 13.0190 0 3340 362 PHE CD2 CR1E 0.000000E+00 13.0190 0 3341 362 PHE CE1 CR1E 0.000000E+00 13.0190 0 3342 362 PHE CE2 CR1E 0.000000E+00 13.0190 0 3343 362 PHE CZ CR1E 0.000000E+00 13.0190 0 3344 362 PHE C C 0.550000 12.0110 0 3345 362 PHE O O -0.550000 15.9994 0 3346 363 SER N NH1 -0.350000 14.0067 0 3347 363 SER H H 0.250000 1.00800 0 3348 363 SER CA CH1E 0.100000 13.0190 0 3349 363 SER CB CH2E 0.250000 14.0270 0 3350 363 SER OG OH1 -0.650000 15.9994 0 3351 363 SER HG H 0.400000 1.00800 0 3352 363 SER C C 0.550000 12.0110 0 3353 363 SER O O -0.550000 15.9994 0 3354 364 GLY N NH1 -0.350000 14.0067 0 3355 364 GLY H H 0.250000 1.00800 0 3356 364 GLY CA CH2G 0.100000 14.0270 0 3357 364 GLY C C 0.550000 12.0110 0 3358 364 GLY O O -0.550000 15.9994 0 3359 365 LEU N NH1 -0.350000 14.0067 0 3360 365 LEU H H 0.250000 1.00800 0 3361 365 LEU CA CH1E 0.100000 13.0190 0 3362 365 LEU CB CH2E 0.000000E+00 14.0270 0 3363 365 LEU CG CH1E 0.000000E+00 13.0190 0 3364 365 LEU CD1 CH3E 0.000000E+00 15.0350 0 3365 365 LEU CD2 CH3E 0.000000E+00 15.0350 0 3366 365 LEU C C 0.550000 12.0110 0 3367 365 LEU O O -0.550000 15.9994 0 3368 366 THR N NH1 -0.350000 14.0067 0 3369 366 THR H H 0.250000 1.00800 0 3370 366 THR CA CH1E 0.100000 13.0190 0 3371 366 THR CB CH1E 0.250000 13.0190 0 3372 366 THR OG1 OH1 -0.650000 15.9994 0 3373 366 THR HG1 H 0.400000 1.00800 0 3374 366 THR CG2 CH3E 0.000000E+00 15.0350 0 3375 366 THR C C 0.550000 12.0110 0 3376 366 THR O O -0.550000 15.9994 0 3377 367 LYS N NH1 -0.350000 14.0067 0 3378 367 LYS H H 0.250000 1.00800 0 3379 367 LYS CA CH1E 0.100000 13.0190 0 3380 367 LYS CB CH2E 0.000000E+00 14.0270 0 3381 367 LYS CG CH2E 0.000000E+00 14.0270 0 3382 367 LYS CD CH2E 0.000000E+00 14.0270 0 3383 367 LYS CE CH2E 0.250000 14.0270 0 3384 367 LYS NZ NH3 -0.300000 14.0067 0 3385 367 LYS HZ1 HC 0.350000 1.00800 0 3386 367 LYS HZ2 HC 0.350000 1.00800 0 3387 367 LYS HZ3 HC 0.350000 1.00800 0 3388 367 LYS C C 0.550000 12.0110 0 3389 367 LYS O O -0.550000 15.9994 0 3390 368 GLU N NH1 -0.350000 14.0067 0 3391 368 GLU H H 0.250000 1.00800 0 3392 368 GLU CA CH1E 0.100000 13.0190 0 3393 368 GLU CB CH2E 0.000000E+00 14.0270 0 3394 368 GLU CG CH2E -0.160000 14.0270 0 3395 368 GLU CD C 0.360000 12.0110 0 3396 368 GLU OE1 OC -0.600000 15.9994 0 3397 368 GLU OE2 OC -0.600000 15.9994 0 3398 368 GLU C C 0.550000 12.0110 0 3399 368 GLU O O -0.550000 15.9994 0 3400 369 GLN N NH1 -0.350000 14.0067 0 3401 369 GLN H H 0.250000 1.00800 0 3402 369 GLN CA CH1E 0.100000 13.0190 0 3403 369 GLN CB CH2E 0.000000E+00 14.0270 0 3404 369 GLN CG CH2E 0.000000E+00 14.0270 0 3405 369 GLN CD C 0.550000 12.0110 0 3406 369 GLN OE1 O -0.550000 15.9994 0 3407 369 GLN NE2 NH2 -0.600000 14.0067 0 3408 369 GLN HE21 H 0.300000 1.00800 0 3409 369 GLN HE22 H 0.300000 1.00800 0 3410 369 GLN C C 0.550000 12.0110 0 3411 369 GLN O O -0.550000 15.9994 0 3412 370 VAL N NH1 -0.350000 14.0067 0 3413 370 VAL H H 0.250000 1.00800 0 3414 370 VAL CA CH1E 0.100000 13.0190 0 3415 370 VAL CB CH1E 0.000000E+00 13.0190 0 3416 370 VAL CG1 CH3E 0.000000E+00 15.0350 0 3417 370 VAL CG2 CH3E 0.000000E+00 15.0350 0 3418 370 VAL C C 0.550000 12.0110 0 3419 370 VAL O O -0.550000 15.9994 0 3420 371 LEU N NH1 -0.350000 14.0067 0 3421 371 LEU H H 0.250000 1.00800 0 3422 371 LEU CA CH1E 0.100000 13.0190 0 3423 371 LEU CB CH2E 0.000000E+00 14.0270 0 3424 371 LEU CG CH1E 0.000000E+00 13.0190 0 3425 371 LEU CD1 CH3E 0.000000E+00 15.0350 0 3426 371 LEU CD2 CH3E 0.000000E+00 15.0350 0 3427 371 LEU C C 0.550000 12.0110 0 3428 371 LEU O O -0.550000 15.9994 0 3429 372 ARG N NH1 -0.350000 14.0067 0 3430 372 ARG H H 0.250000 1.00800 0 3431 372 ARG CA CH1E 0.100000 13.0190 0 3432 372 ARG CB CH2E 0.000000E+00 14.0270 0 3433 372 ARG CG CH2E 0.000000E+00 14.0270 0 3434 372 ARG CD CH2E 0.100000 14.0270 0 3435 372 ARG NE NH1 -0.400000 14.0067 0 3436 372 ARG HE H 0.300000 1.00800 0 3437 372 ARG CZ C 0.500000 12.0110 0 3438 372 ARG NH1 NC2 -0.450000 14.0067 0 3439 372 ARG HH11 HC 0.350000 1.00800 0 3440 372 ARG HH12 HC 0.350000 1.00800 0 3441 372 ARG NH2 NC2 -0.450000 14.0067 0 3442 372 ARG HH21 HC 0.350000 1.00800 0 3443 372 ARG HH22 HC 0.350000 1.00800 0 3444 372 ARG C C 0.550000 12.0110 0 3445 372 ARG O O -0.550000 15.9994 0 3446 373 LEU N NH1 -0.350000 14.0067 0 3447 373 LEU H H 0.250000 1.00800 0 3448 373 LEU CA CH1E 0.100000 13.0190 0 3449 373 LEU CB CH2E 0.000000E+00 14.0270 0 3450 373 LEU CG CH1E 0.000000E+00 13.0190 0 3451 373 LEU CD1 CH3E 0.000000E+00 15.0350 0 3452 373 LEU CD2 CH3E 0.000000E+00 15.0350 0 3453 373 LEU C C 0.550000 12.0110 0 3454 373 LEU O O -0.550000 15.9994 0 3455 374 ARG N NH1 -0.350000 14.0067 0 3456 374 ARG H H 0.250000 1.00800 0 3457 374 ARG CA CH1E 0.100000 13.0190 0 3458 374 ARG CB CH2E 0.000000E+00 14.0270 0 3459 374 ARG CG CH2E 0.000000E+00 14.0270 0 3460 374 ARG CD CH2E 0.100000 14.0270 0 3461 374 ARG NE NH1 -0.400000 14.0067 0 3462 374 ARG HE H 0.300000 1.00800 0 3463 374 ARG CZ C 0.500000 12.0110 0 3464 374 ARG NH1 NC2 -0.450000 14.0067 0 3465 374 ARG HH11 HC 0.350000 1.00800 0 3466 374 ARG HH12 HC 0.350000 1.00800 0 3467 374 ARG NH2 NC2 -0.450000 14.0067 0 3468 374 ARG HH21 HC 0.350000 1.00800 0 3469 374 ARG HH22 HC 0.350000 1.00800 0 3470 374 ARG C C 0.550000 12.0110 0 3471 374 ARG O O -0.550000 15.9994 0 3472 375 GLU N NH1 -0.350000 14.0067 0 3473 375 GLU H H 0.250000 1.00800 0 3474 375 GLU CA CH1E 0.100000 13.0190 0 3475 375 GLU CB CH2E 0.000000E+00 14.0270 0 3476 375 GLU CG CH2E -0.160000 14.0270 0 3477 375 GLU CD C 0.360000 12.0110 0 3478 375 GLU OE1 OC -0.600000 15.9994 0 3479 375 GLU OE2 OC -0.600000 15.9994 0 3480 375 GLU C C 0.550000 12.0110 0 3481 375 GLU O O -0.550000 15.9994 0 3482 376 GLU N NH1 -0.350000 14.0067 0 3483 376 GLU H H 0.250000 1.00800 0 3484 376 GLU CA CH1E 0.100000 13.0190 0 3485 376 GLU CB CH2E 0.000000E+00 14.0270 0 3486 376 GLU CG CH2E -0.160000 14.0270 0 3487 376 GLU CD C 0.360000 12.0110 0 3488 376 GLU OE1 OC -0.600000 15.9994 0 3489 376 GLU OE2 OC -0.600000 15.9994 0 3490 376 GLU C C 0.550000 12.0110 0 3491 376 GLU O O -0.550000 15.9994 0 3492 377 PHE N NH1 -0.350000 14.0067 0 3493 377 PHE H H 0.250000 1.00800 0 3494 377 PHE CA CH1E 0.100000 13.0190 0 3495 377 PHE CB CH2E 0.000000E+00 14.0270 0 3496 377 PHE CG CF 0.000000E+00 12.0110 0 3497 377 PHE CD1 CR1E 0.000000E+00 13.0190 0 3498 377 PHE CD2 CR1E 0.000000E+00 13.0190 0 3499 377 PHE CE1 CR1E 0.000000E+00 13.0190 0 3500 377 PHE CE2 CR1E 0.000000E+00 13.0190 0 3501 377 PHE CZ CR1E 0.000000E+00 13.0190 0 3502 377 PHE C C 0.550000 12.0110 0 3503 377 PHE O O -0.550000 15.9994 0 3504 378 GLY N NH1 -0.350000 14.0067 0 3505 378 GLY H H 0.250000 1.00800 0 3506 378 GLY CA CH2G 0.100000 14.0270 0 3507 378 GLY C C 0.550000 12.0110 0 3508 378 GLY O O -0.550000 15.9994 0 3509 379 VAL N NH1 -0.350000 14.0067 0 3510 379 VAL H H 0.250000 1.00800 0 3511 379 VAL CA CH1E 0.100000 13.0190 0 3512 379 VAL CB CH1E 0.000000E+00 13.0190 0 3513 379 VAL CG1 CH3E 0.000000E+00 15.0350 0 3514 379 VAL CG2 CH3E 0.000000E+00 15.0350 0 3515 379 VAL C C 0.550000 12.0110 0 3516 379 VAL O O -0.550000 15.9994 0 3517 380 TYR N NH1 -0.350000 14.0067 0 3518 380 TYR H H 0.250000 1.00800 0 3519 380 TYR CA CH1E 0.100000 13.0190 0 3520 380 TYR CB CH2E 0.000000E+00 14.0270 0 3521 380 TYR CG CY 0.000000E+00 12.0110 0 3522 380 TYR CD1 CR1E 0.000000E+00 13.0190 0 3523 380 TYR CE1 CR1E 0.000000E+00 13.0190 0 3524 380 TYR CD2 CR1E 0.000000E+00 13.0190 0 3525 380 TYR CE2 CR1E 0.000000E+00 13.0190 0 3526 380 TYR CZ CY2 0.250000 12.0110 0 3527 380 TYR OH OH1 -0.650000 15.9994 0 3528 380 TYR HH H 0.400000 1.00800 0 3529 380 TYR C C 0.550000 12.0110 0 3530 380 TYR O O -0.550000 15.9994 0 3531 381 ALA N NH1 -0.350000 14.0067 0 3532 381 ALA H H 0.250000 1.00800 0 3533 381 ALA CA CH1E 0.100000 13.0190 0 3534 381 ALA CB CH3E 0.000000E+00 15.0350 0 3535 381 ALA C C 0.550000 12.0110 0 3536 381 ALA O O -0.550000 15.9994 0 3537 382 VAL N NH1 -0.350000 14.0067 0 3538 382 VAL H H 0.250000 1.00800 0 3539 382 VAL CA CH1E 0.100000 13.0190 0 3540 382 VAL CB CH1E 0.000000E+00 13.0190 0 3541 382 VAL CG1 CH3E 0.000000E+00 15.0350 0 3542 382 VAL CG2 CH3E 0.000000E+00 15.0350 0 3543 382 VAL C C 0.550000 12.0110 0 3544 382 VAL O O -0.550000 15.9994 0 3545 383 ALA N NH1 -0.350000 14.0067 0 3546 383 ALA H H 0.250000 1.00800 0 3547 383 ALA CA CH1E 0.100000 13.0190 0 3548 383 ALA CB CH3E 0.000000E+00 15.0350 0 3549 383 ALA C C 0.550000 12.0110 0 3550 383 ALA O O -0.550000 15.9994 0 3551 384 SER N NH1 -0.350000 14.0067 0 3552 384 SER H H 0.250000 1.00800 0 3553 384 SER CA CH1E 0.100000 13.0190 0 3554 384 SER CB CH2E 0.250000 14.0270 0 3555 384 SER OG OH1 -0.650000 15.9994 0 3556 384 SER HG H 0.400000 1.00800 0 3557 384 SER C C 0.550000 12.0110 0 3558 384 SER O O -0.550000 15.9994 0 3559 385 GLY N NH1 -0.350000 14.0067 0 3560 385 GLY H H 0.250000 1.00800 0 3561 385 GLY CA CH2G 0.100000 14.0270 0 3562 385 GLY C C 0.550000 12.0110 0 3563 385 GLY O O -0.550000 15.9994 0 3564 386 ARG N NH1 -0.350000 14.0067 0 3565 386 ARG H H 0.250000 1.00800 0 3566 386 ARG CA CH1E 0.100000 13.0190 0 3567 386 ARG CB CH2E 0.000000E+00 14.0270 0 3568 386 ARG CG CH2E 0.000000E+00 14.0270 0 3569 386 ARG CD CH2E 0.100000 14.0270 0 3570 386 ARG NE NH1 -0.400000 14.0067 0 3571 386 ARG HE H 0.300000 1.00800 0 3572 386 ARG CZ C 0.500000 12.0110 0 3573 386 ARG NH1 NC2 -0.450000 14.0067 0 3574 386 ARG HH11 HC 0.350000 1.00800 0 3575 386 ARG HH12 HC 0.350000 1.00800 0 3576 386 ARG NH2 NC2 -0.450000 14.0067 0 3577 386 ARG HH21 HC 0.350000 1.00800 0 3578 386 ARG HH22 HC 0.350000 1.00800 0 3579 386 ARG C C 0.550000 12.0110 0 3580 386 ARG O O -0.550000 15.9994 0 3581 387 VAL N NH1 -0.350000 14.0067 0 3582 387 VAL H H 0.250000 1.00800 0 3583 387 VAL CA CH1E 0.100000 13.0190 0 3584 387 VAL CB CH1E 0.000000E+00 13.0190 0 3585 387 VAL CG1 CH3E 0.000000E+00 15.0350 0 3586 387 VAL CG2 CH3E 0.000000E+00 15.0350 0 3587 387 VAL C C 0.550000 12.0110 0 3588 387 VAL O O -0.550000 15.9994 0 3589 388 ASN N NH1 -0.350000 14.0067 0 3590 388 ASN H H 0.250000 1.00800 0 3591 388 ASN CA CH1E 0.100000 13.0190 0 3592 388 ASN CB CH2E 0.000000E+00 14.0270 0 3593 388 ASN CG C 0.550000 12.0110 0 3594 388 ASN OD1 O -0.550000 15.9994 0 3595 388 ASN ND2 NH2 -0.600000 14.0067 0 3596 388 ASN HD21 H 0.300000 1.00800 0 3597 388 ASN HD22 H 0.300000 1.00800 0 3598 388 ASN C C 0.550000 12.0110 0 3599 388 ASN O O -0.550000 15.9994 0 3600 389 VAL N NH1 -0.350000 14.0067 0 3601 389 VAL H H 0.250000 1.00800 0 3602 389 VAL CA CH1E 0.100000 13.0190 0 3603 389 VAL CB CH1E 0.000000E+00 13.0190 0 3604 389 VAL CG1 CH3E 0.000000E+00 15.0350 0 3605 389 VAL CG2 CH3E 0.000000E+00 15.0350 0 3606 389 VAL C C 0.550000 12.0110 0 3607 389 VAL O O -0.550000 15.9994 0 3608 390 ALA N NH1 -0.350000 14.0067 0 3609 390 ALA H H 0.250000 1.00800 0 3610 390 ALA CA CH1E 0.100000 13.0190 0 3611 390 ALA CB CH3E 0.000000E+00 15.0350 0 3612 390 ALA C C 0.550000 12.0110 0 3613 390 ALA O O -0.550000 15.9994 0 3614 391 GLY N NH1 -0.350000 14.0067 0 3615 391 GLY H H 0.250000 1.00800 0 3616 391 GLY CA CH2G 0.100000 14.0270 0 3617 391 GLY C C 0.550000 12.0110 0 3618 391 GLY O O -0.550000 15.9994 0 3619 392 MET N NH1 -0.350000 14.0067 0 3620 392 MET H H 0.250000 1.00800 0 3621 392 MET CA CH1E 0.100000 13.0190 0 3622 392 MET CB CH2E 0.000000E+00 14.0270 0 3623 392 MET CG CH2E 0.600000E-01 14.0270 0 3624 392 MET SD SM -0.120000 32.0600 0 3625 392 MET CE CH3E 0.600000E-01 15.0350 0 3626 392 MET C C 0.550000 12.0110 0 3627 392 MET O O -0.550000 15.9994 0 3628 393 THR N NH1 -0.350000 14.0067 0 3629 393 THR H H 0.250000 1.00800 0 3630 393 THR CA CH1E 0.100000 13.0190 0 3631 393 THR CB CH1E 0.250000 13.0190 0 3632 393 THR OG1 OH1 -0.650000 15.9994 0 3633 393 THR HG1 H 0.400000 1.00800 0 3634 393 THR CG2 CH3E 0.000000E+00 15.0350 0 3635 393 THR C C 0.550000 12.0110 0 3636 393 THR O O -0.550000 15.9994 0 3637 394 PRO N N -0.200000 14.0067 0 3638 394 PRO CD CH2P 0.100000 14.0270 0 3639 394 PRO CA CH1E 0.100000 13.0190 0 3640 394 PRO CB CH2E 0.000000E+00 14.0270 0 3641 394 PRO CG CH2P 0.000000E+00 14.0270 0 3642 394 PRO C C 0.550000 12.0110 0 3643 394 PRO O O -0.550000 15.9994 0 3644 395 ASP N NH1 -0.350000 14.0067 0 3645 395 ASP H H 0.250000 1.00800 0 3646 395 ASP CA CH1E 0.100000 13.0190 0 3647 395 ASP CB CH2E -0.160000 14.0270 0 3648 395 ASP CG C 0.360000 12.0110 0 3649 395 ASP OD1 OC -0.600000 15.9994 0 3650 395 ASP OD2 OC -0.600000 15.9994 0 3651 395 ASP C C 0.550000 12.0110 0 3652 395 ASP O O -0.550000 15.9994 0 3653 396 ASN N NH1 -0.350000 14.0067 0 3654 396 ASN H H 0.250000 1.00800 0 3655 396 ASN CA CH1E 0.100000 13.0190 0 3656 396 ASN CB CH2E 0.000000E+00 14.0270 0 3657 396 ASN CG C 0.550000 12.0110 0 3658 396 ASN OD1 O -0.550000 15.9994 0 3659 396 ASN ND2 NH2 -0.600000 14.0067 0 3660 396 ASN HD21 H 0.300000 1.00800 0 3661 396 ASN HD22 H 0.300000 1.00800 0 3662 396 ASN C C 0.550000 12.0110 0 3663 396 ASN O O -0.550000 15.9994 0 3664 397 MET N NH1 -0.350000 14.0067 0 3665 397 MET H H 0.250000 1.00800 0 3666 397 MET CA CH1E 0.100000 13.0190 0 3667 397 MET CB CH2E 0.000000E+00 14.0270 0 3668 397 MET CG CH2E 0.600000E-01 14.0270 0 3669 397 MET SD SM -0.120000 32.0600 0 3670 397 MET CE CH3E 0.600000E-01 15.0350 0 3671 397 MET C C 0.550000 12.0110 0 3672 397 MET O O -0.550000 15.9994 0 3673 398 ALA N NH1 -0.350000 14.0067 0 3674 398 ALA H H 0.250000 1.00800 0 3675 398 ALA CA CH1E 0.100000 13.0190 0 3676 398 ALA CB CH3E 0.000000E+00 15.0350 0 3677 398 ALA C C 0.550000 12.0110 0 3678 398 ALA O O -0.550000 15.9994 0 3679 399 PRO N N -0.200000 14.0067 0 3680 399 PRO CD CH2P 0.100000 14.0270 0 3681 399 PRO CA CH1E 0.100000 13.0190 0 3682 399 PRO CB CH2E 0.000000E+00 14.0270 0 3683 399 PRO CG CH2P 0.000000E+00 14.0270 0 3684 399 PRO C C 0.550000 12.0110 0 3685 399 PRO O O -0.550000 15.9994 0 3686 400 LEU N NH1 -0.350000 14.0067 0 3687 400 LEU H H 0.250000 1.00800 0 3688 400 LEU CA CH1E 0.100000 13.0190 0 3689 400 LEU CB CH2E 0.000000E+00 14.0270 0 3690 400 LEU CG CH1E 0.000000E+00 13.0190 0 3691 400 LEU CD1 CH3E 0.000000E+00 15.0350 0 3692 400 LEU CD2 CH3E 0.000000E+00 15.0350 0 3693 400 LEU C C 0.550000 12.0110 0 3694 400 LEU O O -0.550000 15.9994 0 3695 401 CYS N NH1 -0.350000 14.0067 0 3696 401 CYS H H 0.250000 1.00800 0 3697 401 CYS CA CH1E 0.100000 13.0190 0 3698 401 CYS CB CH2E 0.190000 14.0270 0 3699 401 CYS SG SH1E -0.190000 33.0680 0 3700 401 CYS C C 0.550000 12.0110 0 3701 401 CYS O O -0.550000 15.9994 0 3702 402 GLU N NH1 -0.350000 14.0067 0 3703 402 GLU H H 0.250000 1.00800 0 3704 402 GLU CA CH1E 0.100000 13.0190 0 3705 402 GLU CB CH2E 0.000000E+00 14.0270 0 3706 402 GLU CG CH2E -0.160000 14.0270 0 3707 402 GLU CD C 0.360000 12.0110 0 3708 402 GLU OE1 OC -0.600000 15.9994 0 3709 402 GLU OE2 OC -0.600000 15.9994 0 3710 402 GLU C C 0.550000 12.0110 0 3711 402 GLU O O -0.550000 15.9994 0 3712 403 ALA N NH1 -0.350000 14.0067 0 3713 403 ALA H H 0.250000 1.00800 0 3714 403 ALA CA CH1E 0.100000 13.0190 0 3715 403 ALA CB CH3E 0.000000E+00 15.0350 0 3716 403 ALA C C 0.550000 12.0110 0 3717 403 ALA O O -0.550000 15.9994 0 3718 404 ILE N NH1 -0.350000 14.0067 0 3719 404 ILE H H 0.250000 1.00800 0 3720 404 ILE CA CH1E 0.100000 13.0190 0 3721 404 ILE CB CH1E 0.000000E+00 13.0190 0 3722 404 ILE CG2 CH3E 0.000000E+00 15.0350 0 3723 404 ILE CG1 CH2E 0.000000E+00 14.0270 0 3724 404 ILE CD1 CH3E 0.000000E+00 15.0350 0 3725 404 ILE C C 0.550000 12.0110 0 3726 404 ILE O O -0.550000 15.9994 0 3727 405 VAL N NH1 -0.350000 14.0067 0 3728 405 VAL H H 0.250000 1.00800 0 3729 405 VAL CA CH1E 0.100000 13.0190 0 3730 405 VAL CB CH1E 0.000000E+00 13.0190 0 3731 405 VAL CG1 CH3E 0.000000E+00 15.0350 0 3732 405 VAL CG2 CH3E 0.000000E+00 15.0350 0 3733 405 VAL C C 0.550000 12.0110 0 3734 405 VAL O O -0.550000 15.9994 0 3735 406 ALA N NH1 -0.350000 14.0067 0 3736 406 ALA H H 0.250000 1.00800 0 3737 406 ALA CA CH1E 0.100000 13.0190 0 3738 406 ALA CB CH3E 0.000000E+00 15.0350 0 3739 406 ALA C C 0.550000 12.0110 0 3740 406 ALA O O -0.550000 15.9994 0 3741 408 VAL N NH1 -0.350000 14.0067 0 3742 408 VAL H H 0.250000 1.00800 0 3743 408 VAL CA CH1E 0.100000 13.0190 0 3744 408 VAL CB CH1E 0.000000E+00 13.0190 0 3745 408 VAL CG1 CH3E 0.000000E+00 15.0350 0 3746 408 VAL CG2 CH3E 0.000000E+00 15.0350 0 3747 408 VAL C C 0.550000 12.0110 0 3748 408 VAL O O -0.550000 15.9994 0 3749 409 LEU N NH1 -0.350000 14.0067 0 3750 409 LEU H H 0.250000 1.00800 0 3751 409 LEU CA CH1E 0.100000 13.0190 0 3752 409 LEU CB CH2E 0.000000E+00 14.0270 0 3753 409 LEU CG CH1E 0.000000E+00 13.0190 0 3754 409 LEU CD1 CH3E 0.000000E+00 15.0350 0 3755 409 LEU CD2 CH3E 0.000000E+00 15.0350 0 3756 409 LEU C C 0.140000 12.0110 0 3757 409 LEU O OC -0.570000 15.9994 0 3758 409 LEU OT OC -0.570000 15.9994 0 3759 413 PMP P P 0.000000E+00 30.9740 0 3760 413 PMP OP1 O 0.000000E+00 15.9994 0 3761 413 PMP OP2 O 0.000000E+00 15.9994 0 3762 413 PMP OP3 O 0.000000E+00 15.9994 0 3763 413 PMP OP4 O 0.000000E+00 15.9994 0 3764 413 PMP C5A CH2E 0.000000E+00 14.0270 0 3765 413 PMP C5 C 0.000000E+00 12.0110 0 3766 413 PMP N1 NH2 0.000000E+00 14.0067 0 3767 413 PMP C6 CH1E 0.000000E+00 13.0190 0 3768 413 PMP C2 C 0.000000E+00 12.0110 0 3769 413 PMP C2A CH3E 0.000000E+00 15.0350 0 3770 413 PMP C3 C 0.000000E+00 12.0110 0 3771 413 PMP O3 O 0.000000E+00 15.9994 0 3772 413 PMP H3 H 0.000000E+00 1.00800 0 3773 413 PMP C4 C 0.000000E+00 12.0110 0 3774 413 PMP C4A CH2E 0.000000E+00 14.0270 0 3775 413 PMP N4 MMM 0.000000E+00 9999.00 0 3776 413 PMP H41 H 0.000000E+00 1.00800 0 3777 413 PMP H42 H 0.000000E+00 1.00800 0 3838 !NBOND: bonds 9 11 11 5 5 6 11 1 1 2 2 3 3 4 7 9 8 9 10 9 12 14 14 22 22 23 12 13 14 15 15 16 16 17 16 18 17 19 18 20 19 21 20 21 5 12 24 26 26 32 32 33 24 25 26 27 27 28 28 29 29 30 29 31 22 24 34 36 36 43 43 44 34 35 36 37 37 38 38 39 38 40 40 41 40 42 32 34 45 47 47 52 52 53 45 46 47 48 48 50 48 49 50 51 43 45 54 56 56 61 61 62 54 55 56 57 57 58 57 60 58 59 52 54 63 65 65 67 67 68 63 64 65 66 61 63 69 71 71 73 73 74 69 70 71 72 67 69 75 77 77 80 80 81 75 76 77 78 78 79 79 76 73 75 82 84 84 86 86 87 82 83 84 85 80 82 88 90 90 95 95 96 88 89 90 91 91 92 92 93 92 94 86 88 97 99 99 102 102 103 97 98 99 100 100 101 101 98 95 97 104 106 106 111 111 112 104 105 106 107 107 109 107 108 109 110 102 104 113 115 115 120 120 121 113 114 115 116 116 117 117 118 117 119 111 113 122 124 124 125 125 126 122 123 120 122 127 129 129 134 134 135 127 128 129 130 130 131 131 132 131 133 125 127 136 138 138 140 140 141 136 137 138 139 134 136 142 144 144 149 149 150 142 143 144 145 145 146 146 147 146 148 140 142 151 153 153 158 158 159 151 152 153 154 154 155 155 156 155 157 149 151 160 162 162 170 170 171 160 161 162 163 163 164 164 165 164 166 165 167 166 168 167 169 168 169 158 160 172 174 174 187 187 188 172 173 174 175 175 176 176 177 177 178 178 179 178 180 180 181 180 184 181 182 181 183 184 185 184 186 170 172 189 191 191 193 193 194 189 190 191 192 187 189 195 197 197 202 202 203 195 196 197 198 198 199 199 200 199 201 193 195 204 206 206 212 212 213 204 205 206 207 207 208 208 209 209 210 209 211 202 204 214 216 216 229 229 230 214 215 216 217 217 218 218 219 219 220 220 221 220 222 222 223 222 226 223 224 223 225 226 227 226 228 212 214 231 233 233 236 236 237 231 232 233 234 234 235 235 232 229 231 238 240 240 241 241 242 238 239 236 238 243 245 245 254 254 255 243 244 245 246 246 247 247 248 248 249 249 250 250 251 250 252 250 253 241 243 256 258 258 263 263 264 256 257 258 259 259 261 259 260 261 262 254 256 265 267 267 274 274 275 265 266 267 268 268 269 269 270 269 271 271 272 271 273 263 265 276 278 278 283 283 284 276 277 278 279 279 280 280 281 280 282 274 276 285 287 287 288 288 289 285 286 283 285 290 292 292 297 297 298 290 291 292 293 293 295 293 294 295 296 288 290 299 301 301 302 302 303 299 300 297 299 304 306 306 310 310 311 304 305 306 307 307 308 307 309 302 304 312 314 314 324 324 325 312 313 314 315 315 316 316 317 316 319 317 318 319 320 318 321 320 321 321 322 322 323 310 312 326 328 328 337 337 338 326 327 328 329 329 330 330 331 331 332 332 333 333 334 333 335 333 336 324 326 339 341 341 346 346 347 339 340 341 342 342 343 343 344 343 345 337 339 348 350 350 356 356 357 348 349 350 351 351 352 352 353 353 354 353 355 346 348 358 360 360 365 365 366 358 359 360 361 361 362 361 364 362 363 356 358 367 369 369 370 370 371 367 368 365 367 372 374 374 383 383 384 372 373 374 375 375 376 376 377 377 378 378 379 379 380 379 381 379 382 370 372 385 387 387 392 392 393 385 386 387 388 388 389 388 391 389 390 383 385 394 396 396 399 399 400 394 395 396 397 397 398 398 395 392 394 401 403 403 407 407 408 401 402 403 404 404 405 404 406 399 401 409 411 411 416 416 417 409 410 411 412 412 413 413 414 413 415 407 409 418 420 420 425 425 426 418 419 420 421 421 422 421 424 422 423 416 418 427 429 429 433 433 434 427 428 429 430 430 431 431 432 425 427 435 437 437 441 441 442 435 436 437 438 438 439 438 440 433 435 443 445 445 454 454 455 443 444 445 446 446 447 447 448 448 449 449 450 450 451 450 452 450 453 441 443 456 458 458 467 467 468 456 457 458 459 459 460 460 461 461 462 462 463 463 464 463 465 463 466 454 456 469 471 471 473 473 474 469 470 471 472 467 469 475 477 477 483 483 484 475 476 477 478 478 479 479 480 480 481 480 482 473 475 485 487 487 495 495 496 485 486 487 488 488 489 489 490 490 491 490 492 492 493 492 494 483 485 497 499 499 509 509 510 497 498 499 500 500 501 501 502 501 504 502 503 504 505 503 506 505 506 506 507 507 508 495 497 511 513 513 518 518 519 511 512 513 514 514 515 515 516 515 517 509 511 520 522 522 527 527 528 520 521 522 523 523 524 524 525 524 526 518 520 529 531 531 537 537 538 529 530 531 532 532 533 533 534 534 535 534 536 527 529 539 541 541 548 548 549 539 540 541 542 542 543 543 544 543 545 545 546 545 547 537 539 550 552 552 558 558 559 550 551 552 553 553 554 554 555 555 556 555 557 548 550 560 562 562 567 567 568 560 561 562 563 563 564 563 566 564 565 558 560 569 571 571 576 576 577 569 570 571 572 572 573 572 575 573 574 567 569 578 580 580 589 589 590 578 579 580 581 581 582 582 583 583 584 584 585 585 586 585 587 585 588 576 578 591 593 593 600 600 601 591 592 593 594 594 595 595 596 595 597 597 598 597 599 589 591 602 604 604 614 614 615 602 603 604 605 605 606 606 607 606 609 607 608 609 610 608 611 610 611 611 612 612 613 600 602 616 618 618 623 623 624 616 617 618 619 619 620 620 621 620 622 614 616 625 627 627 628 628 629 625 626 623 625 630 632 632 637 637 638 630 631 632 633 633 635 633 634 635 636 628 630 639 641 641 646 646 647 639 640 641 642 642 643 643 644 643 645 637 639 648 650 650 651 651 652 648 649 646 648 653 655 655 660 660 661 653 654 655 656 656 658 656 657 658 659 651 653 662 664 664 667 667 668 662 663 664 665 665 666 666 663 660 662 669 671 671 677 677 678 669 670 671 672 672 673 673 674 674 675 674 676 667 669 679 681 681 689 689 690 679 680 681 682 682 683 683 684 683 685 684 686 685 687 686 688 687 688 677 679 691 693 693 694 694 695 691 692 689 691 696 698 698 711 711 712 696 697 698 699 699 700 700 701 701 702 702 703 702 704 704 705 704 708 705 706 705 707 708 709 708 710 694 696 713 715 715 718 718 719 713 714 715 716 716 717 711 713 720 722 722 727 727 728 720 721 722 723 723 724 723 726 724 725 718 720 729 731 731 739 739 740 729 730 731 732 732 733 733 734 734 735 734 736 736 737 736 738 727 729 741 743 743 749 749 750 741 742 743 744 744 745 745 746 746 747 746 748 739 741 751 753 753 758 758 759 751 752 753 754 754 755 755 756 755 757 749 751 760 762 762 767 767 768 760 761 762 763 763 764 764 765 764 766 758 760 769 771 771 779 779 780 769 770 771 772 772 773 773 774 773 775 774 776 775 777 776 778 777 778 767 769 781 783 783 784 784 785 781 782 779 781 786 788 788 797 797 798 786 787 788 789 789 790 790 791 791 792 792 793 793 794 793 795 793 796 784 786 799 801 801 802 802 803 799 800 797 799 804 806 806 810 810 811 804 805 806 807 807 808 808 809 802 804 812 814 814 816 816 817 812 813 814 815 810 812 818 820 820 825 825 826 818 819 820 821 821 822 822 823 822 824 816 818 827 829 829 834 834 835 827 828 829 830 830 832 830 831 832 833 825 827 836 838 838 845 845 846 836 837 838 839 839 840 840 841 840 842 842 843 842 844 834 836 847 849 849 854 854 855 847 848 849 850 850 851 851 852 851 853 845 847 856 858 858 867 867 868 856 857 858 859 859 860 860 861 861 862 862 863 863 864 863 865 863 866 854 856 869 871 871 884 884 885 869 870 871 872 872 873 873 874 874 875 875 876 875 877 877 878 877 881 878 879 878 880 881 882 881 883 867 869 886 888 888 890 890 891 886 887 888 889 884 886 892 894 894 907 907 908 892 893 894 895 895 896 896 897 897 898 898 899 898 900 900 901 900 904 901 902 901 903 904 905 904 906 890 892 909 911 911 916 916 917 909 910 911 912 912 913 912 915 913 914 907 909 918 920 920 922 922 923 918 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1028 1037 1039 1039 1047 1047 1048 1037 1038 1039 1040 1040 1041 1041 1042 1041 1043 1042 1044 1043 1045 1044 1046 1045 1046 1035 1037 1049 1051 1051 1056 1056 1057 1049 1050 1051 1052 1052 1053 1053 1054 1053 1055 1047 1049 1058 1060 1060 1062 1062 1063 1058 1059 1060 1061 1056 1058 1064 1066 1066 1075 1075 1076 1064 1065 1066 1067 1067 1068 1068 1069 1069 1070 1070 1071 1071 1072 1071 1073 1071 1074 1062 1064 1077 1079 1079 1086 1086 1087 1077 1078 1079 1080 1080 1081 1081 1082 1081 1083 1083 1084 1083 1085 1075 1077 1088 1090 1090 1095 1095 1096 1088 1089 1090 1091 1091 1092 1091 1094 1092 1093 1086 1088 1097 1099 1099 1103 1103 1104 1097 1098 1099 1100 1100 1101 1101 1102 1095 1097 1105 1107 1107 1111 1111 1112 1105 1106 1107 1108 1108 1109 1108 1110 1103 1105 1113 1115 1115 1124 1124 1125 1113 1114 1115 1116 1116 1117 1117 1118 1118 1119 1119 1120 1120 1121 1120 1122 1120 1123 1111 1113 1126 1128 1128 1141 1141 1142 1126 1127 1128 1129 1129 1130 1130 1131 1131 1132 1132 1133 1132 1134 1134 1135 1134 1138 1135 1136 1135 1137 1138 1139 1138 1140 1124 1126 1143 1145 1145 1149 1149 1150 1143 1144 1145 1146 1146 1147 1146 1148 1141 1143 1151 1153 1153 1165 1165 1166 1151 1152 1153 1154 1154 1155 1155 1159 1155 1156 1159 1160 1156 1157 1160 1161 1160 1157 1156 1158 1157 1162 1158 1163 1162 1164 1163 1164 1149 1151 1167 1169 1169 1173 1173 1174 1167 1168 1169 1170 1170 1171 1170 1172 1165 1167 1175 1177 1177 1181 1181 1182 1175 1176 1177 1178 1178 1179 1179 1180 1173 1175 1183 1185 1185 1192 1192 1193 1183 1184 1185 1186 1186 1187 1187 1188 1187 1189 1189 1190 1189 1191 1181 1183 1194 1196 1196 1199 1199 1200 1194 1195 1196 1197 1197 1198 1198 1195 1192 1194 1201 1203 1203 1207 1207 1208 1201 1202 1203 1204 1204 1205 1205 1206 1199 1201 1209 1211 1211 1223 1223 1224 1209 1210 1211 1212 1212 1213 1213 1217 1213 1214 1217 1218 1214 1215 1218 1219 1218 1215 1214 1216 1215 1220 1216 1221 1220 1222 1221 1222 1207 1209 1225 1227 1227 1230 1230 1231 1225 1226 1227 1228 1228 1229 1229 1226 1223 1225 1232 1234 1234 1241 1241 1242 1232 1233 1234 1235 1235 1236 1236 1237 1236 1238 1238 1239 1238 1240 1230 1232 1243 1245 1245 1254 1254 1255 1243 1244 1245 1246 1246 1247 1247 1249 1247 1248 1249 1250 1249 1251 1248 1252 1251 1252 1252 1253 1241 1243 1256 1258 1258 1267 1267 1268 1256 1257 1258 1259 1259 1260 1260 1261 1261 1262 1262 1263 1263 1264 1263 1265 1263 1266 1254 1256 1269 1271 1271 1275 1275 1276 1269 1270 1271 1272 1272 1273 1273 1274 1267 1269 1277 1279 1279 1283 1283 1284 1277 1278 1279 1280 1280 1281 1280 1282 1275 1277 1285 1287 1287 1295 1295 1296 1285 1286 1287 1288 1288 1289 1289 1290 1289 1291 1290 1292 1291 1293 1292 1294 1293 1294 1283 1285 1297 1299 1299 1306 1306 1307 1297 1298 1299 1300 1300 1301 1301 1302 1301 1303 1303 1304 1303 1305 1295 1297 1308 1310 1310 1314 1314 1315 1308 1309 1310 1311 1311 1312 1312 1313 1306 1308 1316 1318 1318 1320 1320 1321 1316 1317 1318 1319 1314 1316 1322 1324 1324 1325 1325 1326 1322 1323 1320 1322 1327 1329 1329 1334 1334 1335 1327 1328 1329 1330 1330 1331 1331 1332 1331 1333 1325 1327 1336 1338 1338 1344 1344 1345 1336 1337 1338 1339 1339 1340 1340 1341 1341 1342 1341 1343 1334 1336 1346 1348 1348 1352 1352 1353 1346 1347 1348 1349 1349 1350 1349 1351 1344 1346 1354 1356 1356 1369 1369 1370 1354 1355 1356 1357 1357 1358 1358 1359 1359 1360 1360 1361 1360 1362 1362 1363 1362 1366 1363 1364 1363 1365 1366 1367 1366 1368 1352 1354 1371 1373 1373 1379 1379 1380 1371 1372 1373 1374 1374 1375 1375 1376 1376 1377 1376 1378 1369 1371 1381 1383 1383 1393 1393 1394 1381 1382 1383 1384 1384 1385 1385 1386 1385 1388 1386 1387 1388 1389 1387 1390 1389 1390 1390 1391 1391 1392 1379 1381 1395 1397 1397 1399 1399 1400 1395 1396 1397 1398 1393 1395 1401 1403 1403 1413 1413 1414 1401 1402 1403 1404 1404 1405 1405 1406 1405 1408 1406 1407 1408 1409 1407 1410 1409 1410 1410 1411 1411 1412 1399 1401 1415 1417 1417 1427 1427 1428 1415 1416 1417 1418 1418 1419 1419 1420 1419 1422 1420 1421 1422 1423 1421 1424 1423 1424 1424 1425 1425 1426 1413 1415 1429 1431 1431 1436 1436 1437 1429 1430 1431 1432 1432 1433 1433 1434 1433 1435 1427 1429 1438 1440 1440 1442 1442 1443 1438 1439 1440 1441 1436 1438 1444 1446 1446 1452 1452 1453 1444 1445 1446 1447 1447 1448 1448 1449 1449 1450 1449 1451 1442 1444 1454 1456 1456 1463 1463 1464 1454 1455 1456 1457 1457 1458 1458 1459 1458 1460 1460 1461 1460 1462 1452 1454 1465 1467 1467 1476 1476 1477 1465 1466 1467 1468 1468 1469 1469 1471 1469 1470 1471 1472 1471 1473 1470 1474 1473 1474 1474 1475 1463 1465 1478 1480 1480 1485 1485 1486 1478 1479 1480 1481 1481 1482 1481 1484 1482 1483 1476 1478 1487 1489 1489 1494 1494 1495 1487 1488 1489 1490 1490 1491 1491 1492 1491 1493 1485 1487 1496 1498 1498 1503 1503 1504 1496 1497 1498 1499 1499 1500 1500 1501 1500 1502 1494 1496 1505 1507 1507 1515 1515 1516 1505 1506 1507 1508 1508 1509 1509 1510 1509 1511 1510 1512 1511 1513 1512 1514 1513 1514 1503 1505 1517 1519 1519 1524 1524 1525 1517 1518 1519 1520 1520 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3693 3693 3694 3686 3687 3688 3689 3689 3690 3690 3691 3690 3692 3684 3686 3695 3697 3697 3700 3700 3701 3695 3696 3697 3698 3698 3699 3693 3695 3702 3704 3704 3710 3710 3711 3702 3703 3704 3705 3705 3706 3706 3707 3707 3708 3707 3709 3700 3702 3712 3714 3714 3716 3716 3717 3712 3713 3714 3715 3710 3712 3718 3720 3720 3725 3725 3726 3718 3719 3720 3721 3721 3723 3721 3722 3723 3724 3716 3718 3727 3729 3729 3733 3733 3734 3727 3728 3729 3730 3730 3731 3730 3732 3725 3727 3735 3737 3737 3739 3739 3740 3735 3736 3737 3738 3733 3735 3741 3743 3743 3747 3747 3748 3741 3742 3743 3744 3744 3745 3744 3746 3739 3741 3749 3751 3751 3756 3749 3750 3751 3752 3752 3753 3753 3754 3753 3755 3747 3749 3756 3757 3756 3758 3759 3760 3759 3761 3759 3762 3759 3763 3763 3764 3764 3765 3766 3768 3766 3767 3768 3769 3768 3770 3770 3771 3771 3772 3770 3773 3773 3774 3774 3775 3775 3776 3775 3777 3773 3765 3765 3767 5514 !NTHETA: angles 9 11 5 9 11 1 11 5 6 5 11 1 11 1 2 1 2 3 2 3 4 7 9 8 8 9 10 8 9 11 7 9 10 7 9 11 10 9 11 12 14 22 14 12 13 12 14 15 14 22 23 22 14 15 14 15 16 15 16 17 15 16 18 17 16 18 16 17 19 16 18 20 17 19 21 18 20 21 19 21 20 11 5 12 6 5 12 5 12 14 5 12 13 24 26 32 26 24 25 24 26 27 26 32 33 32 26 27 26 27 28 27 28 29 28 29 30 28 29 31 30 29 31 14 22 24 23 22 24 22 24 26 22 24 25 34 36 43 36 34 35 34 36 37 36 43 44 43 36 37 36 37 38 37 38 39 37 38 40 39 38 40 38 40 41 38 40 42 41 40 42 26 32 34 33 32 34 32 34 36 32 34 35 45 47 52 47 45 46 45 47 48 47 52 53 52 47 48 47 48 50 47 48 49 50 48 49 48 50 51 36 43 45 44 43 45 43 45 47 43 45 46 54 56 61 56 54 55 54 56 57 56 61 62 61 56 57 56 57 58 56 57 60 58 57 60 57 58 59 47 52 54 53 52 54 52 54 56 52 54 55 63 65 67 65 63 64 63 65 66 65 67 68 67 65 66 56 61 63 62 61 63 61 63 65 61 63 64 69 71 73 71 69 70 69 71 72 71 73 74 73 71 72 65 67 69 68 67 69 67 69 71 67 69 70 75 77 80 77 75 76 75 77 78 77 80 81 80 77 78 75 76 79 77 78 79 78 79 76 71 73 75 74 73 75 73 75 77 73 75 76 82 84 86 84 82 83 82 84 85 84 86 87 86 84 85 77 80 82 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3695 3696 3695 3697 3698 3697 3700 3701 3700 3697 3698 3697 3698 3699 3688 3693 3695 3694 3693 3695 3693 3695 3697 3693 3695 3696 3702 3704 3710 3704 3702 3703 3702 3704 3705 3704 3710 3711 3710 3704 3705 3704 3705 3706 3705 3706 3707 3706 3707 3708 3706 3707 3709 3708 3707 3709 3697 3700 3702 3701 3700 3702 3700 3702 3704 3700 3702 3703 3712 3714 3716 3714 3712 3713 3712 3714 3715 3714 3716 3717 3716 3714 3715 3704 3710 3712 3711 3710 3712 3710 3712 3714 3710 3712 3713 3718 3720 3725 3720 3718 3719 3718 3720 3721 3720 3725 3726 3725 3720 3721 3720 3721 3723 3720 3721 3722 3723 3721 3722 3721 3723 3724 3714 3716 3718 3717 3716 3718 3716 3718 3720 3716 3718 3719 3727 3729 3733 3729 3727 3728 3727 3729 3730 3729 3733 3734 3733 3729 3730 3729 3730 3731 3729 3730 3732 3731 3730 3732 3720 3725 3727 3726 3725 3727 3725 3727 3729 3725 3727 3728 3735 3737 3739 3737 3735 3736 3735 3737 3738 3737 3739 3740 3739 3737 3738 3729 3733 3735 3734 3733 3735 3733 3735 3737 3733 3735 3736 3741 3743 3747 3743 3741 3742 3741 3743 3744 3743 3747 3748 3747 3743 3744 3743 3744 3745 3743 3744 3746 3745 3744 3746 3737 3739 3741 3740 3739 3741 3739 3741 3743 3739 3741 3742 3749 3751 3756 3751 3749 3750 3749 3751 3752 3756 3751 3752 3751 3752 3753 3752 3753 3754 3752 3753 3755 3754 3753 3755 3743 3747 3749 3748 3747 3749 3747 3749 3751 3747 3749 3750 3751 3756 3757 3751 3756 3758 3757 3756 3758 3760 3759 3761 3760 3759 3762 3760 3759 3763 3761 3759 3762 3761 3759 3763 3762 3759 3763 3759 3763 3764 3763 3764 3765 3764 3765 3773 3764 3765 3767 3768 3766 3767 3766 3768 3769 3766 3768 3770 3766 3767 3765 3769 3768 3770 3768 3770 3771 3768 3770 3773 3770 3771 3772 3771 3770 3773 3770 3773 3774 3770 3773 3765 3773 3774 3775 3774 3773 3765 3774 3775 3776 3774 3775 3777 3776 3775 3777 3773 3765 3767 2186 !NPHI: dihedrals 9 11 1 2 11 1 2 3 1 2 3 4 8 9 11 5 7 9 11 5 10 9 11 5 12 14 15 16 14 15 16 17 5 12 14 22 9 11 5 12 11 5 12 14 24 26 27 28 26 27 28 29 27 28 29 30 22 24 26 32 12 14 22 24 14 22 24 26 34 36 37 38 36 37 38 39 37 38 40 41 32 34 36 43 24 26 32 34 26 32 34 36 45 47 48 50 47 48 50 51 43 45 47 52 34 36 43 45 36 43 45 47 54 56 57 58 56 57 58 59 52 54 56 61 45 47 52 54 47 52 54 56 61 63 65 67 54 56 61 63 56 61 63 65 67 69 71 73 63 65 67 69 65 67 69 71 75 77 78 79 77 78 79 76 78 79 76 75 79 76 75 77 73 75 77 80 69 71 73 75 71 73 75 77 80 82 84 86 75 77 80 82 77 80 82 84 88 90 91 92 90 91 92 93 86 88 90 95 82 84 86 88 84 86 88 90 97 99 100 101 99 100 101 98 100 101 98 97 101 98 97 99 95 97 99 102 88 90 95 97 90 95 97 99 104 106 107 109 106 107 109 110 102 104 106 111 97 99 102 104 99 102 104 106 113 115 116 117 115 116 117 119 111 113 115 120 104 106 111 113 106 111 113 115 120 122 124 125 113 115 120 122 115 120 122 124 127 129 130 131 129 130 131 133 125 127 129 134 122 124 125 127 124 125 127 129 134 136 138 140 127 129 134 136 129 134 136 138 142 144 145 146 144 145 146 147 140 142 144 149 136 138 140 142 138 140 142 144 151 153 154 155 153 154 155 157 149 151 153 158 142 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674 672 673 674 675 667 669 671 677 662 664 667 669 664 667 669 671 679 681 682 683 681 682 683 684 677 679 681 689 669 671 677 679 671 677 679 681 689 691 693 694 679 681 689 691 681 689 691 693 696 698 699 700 698 699 700 701 699 700 701 702 700 701 702 704 701 702 704 705 702 704 705 706 702 704 708 709 702 704 705 707 702 704 708 710 694 696 698 711 691 693 694 696 693 694 696 698 713 715 716 717 711 713 715 718 696 698 711 713 698 711 713 715 720 722 723 724 722 723 724 725 718 720 722 727 713 715 718 720 715 718 720 722 729 731 732 733 731 732 733 734 732 733 734 735 733 734 736 737 727 729 731 739 720 722 727 729 722 727 729 731 741 743 744 745 743 744 745 746 744 745 746 747 739 741 743 749 729 731 739 741 731 739 741 743 751 753 754 755 753 754 755 757 749 751 753 758 741 743 749 751 743 749 751 753 760 762 763 764 762 763 764 766 758 760 762 767 751 753 758 760 753 758 760 762 769 771 772 773 771 772 773 774 767 769 771 779 760 762 767 769 762 767 769 771 779 781 783 784 769 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14 13 26 24 32 27 29 30 31 28 22 14 24 23 24 22 26 25 36 34 43 37 38 39 40 37 40 41 42 38 32 26 34 33 34 32 36 35 47 45 52 48 48 50 49 47 43 36 45 44 45 43 47 46 56 54 61 57 57 58 60 56 52 47 54 53 54 52 56 55 65 63 67 66 61 56 63 62 63 61 65 64 71 69 73 72 67 65 69 68 69 67 71 70 77 75 80 78 73 71 75 74 75 77 76 73 84 82 86 85 80 77 82 81 82 80 84 83 90 88 95 91 92 93 94 91 86 84 88 87 88 86 90 89 99 97 102 100 95 90 97 96 97 99 98 95 106 104 111 107 107 109 108 106 102 99 104 103 104 102 106 105 115 113 120 116 117 119 118 116 111 106 113 112 113 111 115 114 120 115 122 121 122 120 124 123 129 127 134 130 131 133 132 130 125 124 127 126 127 125 129 128 138 136 140 139 134 129 136 135 136 134 138 137 144 142 149 145 146 147 148 145 140 138 142 141 142 140 144 143 153 151 158 154 155 157 156 154 149 144 151 150 151 149 153 152 162 160 170 163 164 165 166 163 164 165 167 169 165 167 169 168 167 169 168 166 169 168 166 164 168 166 164 165 166 164 165 167 158 153 160 159 160 158 162 161 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3661 3664 3665 3673 3674 3686 3687 3695 3696 3702 3703 3712 3713 3718 3719 3727 3728 3735 3736 3741 3742 3749 3750 584 !NACC: acceptors 6 5 23 22 30 29 31 29 33 32 39 38 44 43 53 52 58 0 62 61 68 67 74 73 81 80 87 86 93 92 94 92 96 95 103 102 112 111 121 120 126 125 135 134 141 140 147 146 148 146 150 149 159 158 171 170 188 187 194 193 200 199 201 199 203 202 210 209 211 209 213 212 230 229 237 236 242 241 255 254 264 263 270 269 275 274 284 283 289 288 298 297 303 302 311 310 322 0 325 324 338 337 344 343 345 343 347 346 354 353 355 353 357 356 362 0 366 365 371 370 384 383 389 0 393 392 400 399 408 407 417 416 422 0 426 425 431 0 434 433 442 441 455 454 468 467 474 473 481 480 482 480 484 483 491 490 496 495 507 0 510 509 519 518 528 527 535 534 536 534 538 537 544 543 549 548 556 555 557 555 559 558 564 0 568 567 573 0 577 576 590 589 596 595 601 600 612 0 615 614 624 623 629 628 638 637 644 643 645 643 647 646 652 651 661 660 668 667 675 674 676 674 678 677 690 689 695 694 712 711 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