USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 371 THR OG1 : rot 180:sc= 0.215 USER MOD Set 1.2: A 376 THR OG1 : rot -161:sc= -1.89! USER MOD Set 2.1: A 363 LYS NZ :NH3+ 174:sc= 0.852 (180deg=0) USER MOD Set 2.2: A 382 THR OG1 : rot -119:sc= 0.762 USER MOD Set 3.1: A 341 CYS SG : rot -162:sc= -1.93! USER MOD Set 3.2: A 346 CYS SG : rot -129:sc= 1.59 USER MOD Set 3.3: A 348 THR OG1 : rot 83:sc= 1.41 USER MOD Set 3.4: A 385 CYS SG : rot -141:sc= -1.96! USER MOD Set 3.5: A 388 HIS : no HD1:sc= -1.21 K(o=-2.1,f=-7!) USER MOD Set 4.1: A 327 CYS SG : rot 167:sc= -1.51! USER MOD Set 4.2: A 330 CYS SG : rot -57:sc= -2.09! USER MOD Set 4.3: A 351 HIS : no HD1:sc= -1.1 K(o=-8.3,f=-20!) USER MOD Set 4.4: A 354 CYS SG : rot -115:sc= -3.55! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 120:sc= -0.133 USER MOD Single : A 331 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0658) USER MOD Single : A 332 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 36:sc= 0.0671 USER MOD Single : A 340 GLN : amide:sc= 0.224 K(o=0.22,f=-0.53) USER MOD Single : A 342 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-4.3!) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.51) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 150:sc= 0 (180deg=-1.24) USER MOD Single : A 364 MET CE :methyl -138:sc= 0 (180deg=-0.431) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 THR OG1 : rot 27:sc= 0.0379 USER MOD Single : A 378 SER OG : rot 141:sc= 1.21 USER MOD Single : A 381 LYS NZ :NH3+ 164:sc=-0.00889 (180deg=-0.192) USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot -90:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.631 10.416 -7.304 1.00 0.00 N ATOM 160 CA LEU A 325 -1.462 9.047 -7.781 1.00 0.00 C ATOM 161 C LEU A 325 -2.695 8.189 -7.500 1.00 0.00 C ATOM 162 O LEU A 325 -3.147 8.057 -6.362 1.00 0.00 O ATOM 163 CB LEU A 325 -0.201 8.402 -7.171 1.00 0.00 C ATOM 164 CG LEU A 325 -0.216 8.160 -5.651 1.00 0.00 C ATOM 165 CD1 LEU A 325 0.902 7.208 -5.260 1.00 0.00 C ATOM 166 CD2 LEU A 325 -0.070 9.462 -4.874 1.00 0.00 C ATOM 0 HA LEU A 325 -1.337 9.097 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.034 7.446 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.654 9.036 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.180 7.718 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 325 0.881 7.045 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.766 6.256 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.862 7.639 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.085 9.251 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.874 9.939 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -0.895 10.129 -5.124 1.00 0.00 H new ATOM 178 N THR A 326 -3.238 7.629 -8.566 1.00 0.00 N ATOM 179 CA THR A 326 -4.395 6.760 -8.483 1.00 0.00 C ATOM 180 C THR A 326 -3.982 5.321 -8.778 1.00 0.00 C ATOM 181 O THR A 326 -3.009 5.076 -9.494 1.00 0.00 O ATOM 182 CB THR A 326 -5.505 7.208 -9.457 1.00 0.00 C ATOM 183 OG1 THR A 326 -5.677 8.631 -9.353 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.831 6.511 -9.146 1.00 0.00 C ATOM 0 H THR A 326 -2.888 7.765 -9.514 1.00 0.00 H new ATOM 0 HA THR A 326 -4.796 6.821 -7.471 1.00 0.00 H new ATOM 0 HB THR A 326 -5.207 6.935 -10.469 1.00 0.00 H new ATOM 0 HG1 THR A 326 -6.380 8.922 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 326 -7.593 6.848 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.705 5.432 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 326 -7.141 6.756 -8.130 1.00 0.00 H new ATOM 192 N CYS A 327 -4.715 4.384 -8.212 1.00 0.00 N ATOM 193 CA CYS A 327 -4.394 2.974 -8.336 1.00 0.00 C ATOM 194 C CYS A 327 -4.876 2.452 -9.689 1.00 0.00 C ATOM 195 O CYS A 327 -5.912 2.889 -10.192 1.00 0.00 O ATOM 196 CB CYS A 327 -5.083 2.224 -7.186 1.00 0.00 C ATOM 197 SG CYS A 327 -4.839 0.431 -7.157 1.00 0.00 S ATOM 0 H CYS A 327 -5.547 4.576 -7.655 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.317 2.819 -8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.725 2.636 -6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -6.153 2.425 -7.236 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.235 -0.042 -6.013 1.00 0.00 H new ATOM 202 N TYR A 328 -4.096 1.561 -10.303 1.00 0.00 N ATOM 203 CA TYR A 328 -4.478 0.986 -11.591 1.00 0.00 C ATOM 204 C TYR A 328 -5.282 -0.295 -11.384 1.00 0.00 C ATOM 205 O TYR A 328 -6.154 -0.632 -12.187 1.00 0.00 O ATOM 206 CB TYR A 328 -3.248 0.735 -12.485 1.00 0.00 C ATOM 207 CG TYR A 328 -2.346 -0.405 -12.050 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.502 -0.280 -10.956 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.331 -1.604 -12.753 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.672 -1.316 -10.573 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.506 -2.645 -12.373 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.679 -2.497 -11.281 1.00 0.00 C ATOM 213 OH TYR A 328 0.147 -3.530 -10.895 1.00 0.00 O ATOM 0 H TYR A 328 -3.206 1.226 -9.934 1.00 0.00 H new ATOM 0 HA TYR A 328 -5.110 1.708 -12.109 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.593 0.536 -13.500 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.656 1.649 -12.523 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.494 0.642 -10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.976 -1.724 -13.611 1.00 0.00 H new ATOM 0 HE1 TYR A 328 -0.019 -1.200 -9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.509 -3.571 -12.929 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.394 -4.316 -10.673 1.00 0.00 H new ATOM 223 N LEU A 329 -4.992 -0.999 -10.295 1.00 0.00 N ATOM 224 CA LEU A 329 -5.793 -2.149 -9.900 1.00 0.00 C ATOM 225 C LEU A 329 -6.909 -1.678 -8.977 1.00 0.00 C ATOM 226 O LEU A 329 -6.703 -1.563 -7.752 1.00 0.00 O ATOM 227 CB LEU A 329 -4.930 -3.211 -9.211 1.00 0.00 C ATOM 228 CG LEU A 329 -3.874 -3.876 -10.097 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.006 -4.817 -9.275 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.529 -4.627 -11.247 1.00 0.00 C ATOM 0 H LEU A 329 -4.210 -0.793 -9.673 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.224 -2.609 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.428 -2.751 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.586 -3.985 -8.813 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.240 -3.095 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.260 -5.281 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.504 -4.255 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.630 -5.590 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.759 -5.092 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.189 -5.398 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.108 -3.931 -11.853 1.00 0.00 H new ATOM 242 N CYS A 330 -8.066 -1.413 -9.599 1.00 0.00 N ATOM 243 CA CYS A 330 -9.228 -0.725 -9.007 1.00 0.00 C ATOM 244 C CYS A 330 -9.147 0.767 -9.311 1.00 0.00 C ATOM 245 O CYS A 330 -8.060 1.321 -9.461 1.00 0.00 O ATOM 246 CB CYS A 330 -9.392 -0.954 -7.496 1.00 0.00 C ATOM 247 SG CYS A 330 -8.331 0.083 -6.454 1.00 0.00 S ATOM 0 H CYS A 330 -8.227 -1.682 -10.569 1.00 0.00 H new ATOM 0 HA CYS A 330 -10.114 -1.163 -9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.432 -0.773 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.183 -2.001 -7.276 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.087 -0.097 -6.786 1.00 0.00 H new ATOM 252 N LYS A 331 -10.298 1.412 -9.381 1.00 0.00 N ATOM 253 CA LYS A 331 -10.390 2.796 -9.821 1.00 0.00 C ATOM 254 C LYS A 331 -10.662 3.679 -8.617 1.00 0.00 C ATOM 255 O LYS A 331 -11.478 4.598 -8.660 1.00 0.00 O ATOM 256 CB LYS A 331 -11.522 2.926 -10.841 1.00 0.00 C ATOM 257 CG LYS A 331 -11.286 3.992 -11.902 1.00 0.00 C ATOM 258 CD LYS A 331 -10.087 3.662 -12.785 1.00 0.00 C ATOM 259 CE LYS A 331 -10.168 2.255 -13.357 1.00 0.00 C ATOM 260 NZ LYS A 331 -11.431 2.025 -14.106 1.00 0.00 N ATOM 0 H LYS A 331 -11.195 0.993 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 331 -9.456 3.106 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.664 1.964 -11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -12.448 3.154 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -12.177 4.090 -12.522 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -11.126 4.956 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.029 4.382 -13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -9.170 3.765 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -9.319 2.084 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -10.091 1.530 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -11.385 1.106 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -12.233 2.028 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -11.560 2.780 -14.809 1.00 0.00 H new ATOM 274 N GLN A 332 -9.952 3.391 -7.546 1.00 0.00 N ATOM 275 CA GLN A 332 -10.243 3.982 -6.257 1.00 0.00 C ATOM 276 C GLN A 332 -8.999 4.564 -5.618 1.00 0.00 C ATOM 277 O GLN A 332 -8.065 3.838 -5.268 1.00 0.00 O ATOM 278 CB GLN A 332 -10.829 2.927 -5.323 1.00 0.00 C ATOM 279 CG GLN A 332 -12.048 2.220 -5.884 1.00 0.00 C ATOM 280 CD GLN A 332 -12.445 1.022 -5.053 1.00 0.00 C ATOM 281 OE1 GLN A 332 -12.184 1.089 -3.759 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -12.983 0.043 -5.573 1.00 0.00 N flip ATOM 0 H GLN A 332 -9.162 2.745 -7.544 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.961 4.786 -6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.061 2.186 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.098 3.401 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.882 2.920 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.842 1.900 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -13.166 0.034 -6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -13.246 -0.759 -5.000 1.00 0.00 H new ATOM 291 N LYS A 333 -8.981 5.873 -5.494 1.00 0.00 N ATOM 292 CA LYS A 333 -7.995 6.538 -4.661 1.00 0.00 C ATOM 293 C LYS A 333 -8.326 6.269 -3.194 1.00 0.00 C ATOM 294 O LYS A 333 -9.496 6.118 -2.836 1.00 0.00 O ATOM 295 CB LYS A 333 -7.978 8.045 -4.932 1.00 0.00 C ATOM 296 CG LYS A 333 -9.324 8.722 -4.720 1.00 0.00 C ATOM 297 CD LYS A 333 -9.225 10.234 -4.857 1.00 0.00 C ATOM 298 CE LYS A 333 -8.319 10.835 -3.794 1.00 0.00 C ATOM 299 NZ LYS A 333 -8.231 12.310 -3.910 1.00 0.00 N ATOM 0 H LYS A 333 -9.637 6.501 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 333 -7.005 6.146 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -7.240 8.513 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -7.653 8.217 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -10.042 8.338 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -9.705 8.471 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -8.843 10.486 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -10.220 10.673 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -8.695 10.571 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -7.322 10.404 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -7.604 12.680 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -7.848 12.563 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -9.179 12.724 -3.801 1.00 0.00 H new ATOM 313 N GLY A 334 -7.307 6.189 -2.357 1.00 0.00 N ATOM 314 CA GLY A 334 -7.532 5.913 -0.951 1.00 0.00 C ATOM 315 C GLY A 334 -7.932 4.470 -0.697 1.00 0.00 C ATOM 316 O GLY A 334 -7.307 3.558 -1.232 1.00 0.00 O ATOM 0 H GLY A 334 -6.329 6.309 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.625 6.139 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -8.313 6.574 -0.575 1.00 0.00 H new ATOM 320 N VAL A 335 -8.973 4.285 0.127 1.00 0.00 N ATOM 321 CA VAL A 335 -9.512 2.964 0.518 1.00 0.00 C ATOM 322 C VAL A 335 -8.539 2.171 1.401 1.00 0.00 C ATOM 323 O VAL A 335 -8.960 1.423 2.285 1.00 0.00 O ATOM 324 CB VAL A 335 -9.976 2.106 -0.697 1.00 0.00 C ATOM 325 CG1 VAL A 335 -8.927 1.098 -1.147 1.00 0.00 C ATOM 326 CG2 VAL A 335 -11.280 1.399 -0.369 1.00 0.00 C ATOM 0 H VAL A 335 -9.478 5.063 0.552 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.399 3.185 1.112 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.129 2.792 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.308 0.531 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -8.019 1.624 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -8.702 0.416 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -11.596 0.802 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -11.134 0.748 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -12.047 2.139 -0.140 1.00 0.00 H new ATOM 336 N GLY A 336 -7.250 2.344 1.165 1.00 0.00 N ATOM 337 CA GLY A 336 -6.242 1.702 1.972 1.00 0.00 C ATOM 338 C GLY A 336 -4.913 2.402 1.825 1.00 0.00 C ATOM 339 O GLY A 336 -4.849 3.633 1.867 1.00 0.00 O ATOM 0 H GLY A 336 -6.881 2.929 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.548 1.709 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.143 0.658 1.676 1.00 0.00 H new ATOM 343 N ALA A 337 -3.861 1.631 1.618 1.00 0.00 N ATOM 344 CA ALA A 337 -2.531 2.188 1.440 1.00 0.00 C ATOM 345 C ALA A 337 -2.083 2.030 -0.001 1.00 0.00 C ATOM 346 O ALA A 337 -2.425 1.046 -0.668 1.00 0.00 O ATOM 347 CB ALA A 337 -1.538 1.522 2.380 1.00 0.00 C ATOM 0 H ALA A 337 -3.902 0.613 1.569 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.569 3.251 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -0.549 1.954 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -1.851 1.681 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -1.502 0.452 2.173 1.00 0.00 H new ATOM 353 N SER A 338 -1.333 3.004 -0.482 1.00 0.00 N ATOM 354 CA SER A 338 -0.841 2.983 -1.843 1.00 0.00 C ATOM 355 C SER A 338 0.667 2.764 -1.871 1.00 0.00 C ATOM 356 O SER A 338 1.438 3.576 -1.348 1.00 0.00 O ATOM 357 CB SER A 338 -1.213 4.286 -2.552 1.00 0.00 C ATOM 358 OG SER A 338 -0.910 5.411 -1.742 1.00 0.00 O ATOM 0 H SER A 338 -1.051 3.824 0.055 1.00 0.00 H new ATOM 0 HA SER A 338 -1.308 2.151 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.673 4.357 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.276 4.282 -2.792 1.00 0.00 H new ATOM 0 HG SER A 338 -0.089 5.238 -1.236 1.00 0.00 H new ATOM 364 N ILE A 339 1.074 1.656 -2.466 1.00 0.00 N ATOM 365 CA ILE A 339 2.479 1.346 -2.634 1.00 0.00 C ATOM 366 C ILE A 339 2.850 1.585 -4.096 1.00 0.00 C ATOM 367 O ILE A 339 2.078 1.258 -5.004 1.00 0.00 O ATOM 368 CB ILE A 339 2.787 -0.114 -2.180 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.302 -0.406 -2.134 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.068 -1.127 -3.063 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.938 -0.719 -3.477 1.00 0.00 C ATOM 0 H ILE A 339 0.442 0.950 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 339 3.086 1.995 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 339 2.409 -0.214 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.810 0.456 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.474 -1.247 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.301 -2.136 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.992 -0.963 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.396 -1.007 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 339 6.002 -0.909 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.464 -1.601 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.805 0.129 -4.149 1.00 0.00 H new ATOM 383 N GLN A 340 4.001 2.193 -4.325 1.00 0.00 N ATOM 384 CA GLN A 340 4.391 2.582 -5.666 1.00 0.00 C ATOM 385 C GLN A 340 5.558 1.732 -6.157 1.00 0.00 C ATOM 386 O GLN A 340 6.627 1.701 -5.541 1.00 0.00 O ATOM 387 CB GLN A 340 4.749 4.067 -5.691 1.00 0.00 C ATOM 388 CG GLN A 340 4.780 4.667 -7.086 1.00 0.00 C ATOM 389 CD GLN A 340 4.892 6.146 -7.083 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.389 6.759 -6.136 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.486 6.725 -8.173 1.00 0.00 N ATOM 0 H GLN A 340 4.680 2.427 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 340 3.551 2.414 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.027 4.615 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.725 4.204 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.621 4.246 -7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.874 4.379 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 340 4.082 6.168 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.571 7.736 -8.276 1.00 0.00 H new ATOM 400 N CYS A 341 5.328 1.027 -7.257 1.00 0.00 N ATOM 401 CA CYS A 341 6.339 0.176 -7.862 1.00 0.00 C ATOM 402 C CYS A 341 7.457 1.004 -8.455 1.00 0.00 C ATOM 403 O CYS A 341 7.257 2.144 -8.872 1.00 0.00 O ATOM 404 CB CYS A 341 5.730 -0.698 -8.961 1.00 0.00 C ATOM 405 SG CYS A 341 6.943 -1.506 -10.050 1.00 0.00 S ATOM 0 H CYS A 341 4.437 1.030 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 341 6.741 -0.462 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.112 -1.466 -8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.068 -0.083 -9.570 1.00 0.00 H new ATOM 0 HG CYS A 341 6.354 -1.899 -11.140 1.00 0.00 H new ATOM 410 N HIS A 342 8.620 0.389 -8.535 1.00 0.00 N ATOM 411 CA HIS A 342 9.805 1.037 -9.060 1.00 0.00 C ATOM 412 C HIS A 342 10.781 -0.027 -9.539 1.00 0.00 C ATOM 413 O HIS A 342 10.390 -1.173 -9.741 1.00 0.00 O ATOM 414 CB HIS A 342 10.455 1.954 -8.005 1.00 0.00 C ATOM 415 CG HIS A 342 11.012 1.246 -6.803 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.345 1.289 -6.457 1.00 0.00 N ATOM 417 CD2 HIS A 342 10.402 0.510 -5.849 1.00 0.00 C ATOM 418 CE1 HIS A 342 12.529 0.609 -5.343 1.00 0.00 C ATOM 419 NE2 HIS A 342 11.365 0.127 -4.950 1.00 0.00 N ATOM 0 H HIS A 342 8.770 -0.575 -8.238 1.00 0.00 H new ATOM 0 HA HIS A 342 9.523 1.671 -9.901 1.00 0.00 H new ATOM 0 HB2 HIS A 342 11.258 2.517 -8.481 1.00 0.00 H new ATOM 0 HB3 HIS A 342 9.713 2.679 -7.669 1.00 0.00 H new ATOM 0 HD1 HIS A 342 13.075 1.772 -6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 342 9.351 0.268 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 342 13.473 0.470 -4.837 1.00 0.00 H new ATOM 428 N LYS A 343 12.024 0.374 -9.739 1.00 0.00 N ATOM 429 CA LYS A 343 13.110 -0.518 -10.141 1.00 0.00 C ATOM 430 C LYS A 343 14.323 0.359 -10.416 1.00 0.00 C ATOM 431 O LYS A 343 15.308 0.338 -9.679 1.00 0.00 O ATOM 432 CB LYS A 343 12.729 -1.336 -11.393 1.00 0.00 C ATOM 433 CG LYS A 343 13.480 -2.653 -11.539 1.00 0.00 C ATOM 434 CD LYS A 343 14.979 -2.447 -11.658 1.00 0.00 C ATOM 435 CE LYS A 343 15.693 -3.771 -11.817 1.00 0.00 C ATOM 436 NZ LYS A 343 17.170 -3.618 -11.797 1.00 0.00 N ATOM 0 H LYS A 343 12.317 1.344 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 343 13.322 -1.240 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.659 -1.543 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.912 -0.728 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.269 -3.287 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.116 -3.181 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 343 15.196 -1.807 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 343 15.351 -1.932 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.388 -4.445 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.390 -4.235 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 17.617 -4.550 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 17.465 -2.996 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 17.463 -3.200 -10.891 1.00 0.00 H new ATOM 450 N ALA A 344 14.222 1.122 -11.488 1.00 0.00 N ATOM 451 CA ALA A 344 15.123 2.225 -11.759 1.00 0.00 C ATOM 452 C ALA A 344 14.308 3.364 -12.351 1.00 0.00 C ATOM 453 O ALA A 344 14.427 4.516 -11.935 1.00 0.00 O ATOM 454 CB ALA A 344 16.241 1.802 -12.697 1.00 0.00 C ATOM 0 H ALA A 344 13.505 0.992 -12.202 1.00 0.00 H new ATOM 0 HA ALA A 344 15.599 2.552 -10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.901 2.650 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.810 0.991 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.815 1.461 -13.641 1.00 0.00 H new ATOM 460 N ASN A 345 13.459 3.020 -13.319 1.00 0.00 N ATOM 461 CA ASN A 345 12.502 3.964 -13.884 1.00 0.00 C ATOM 462 C ASN A 345 11.113 3.328 -13.966 1.00 0.00 C ATOM 463 O ASN A 345 10.813 2.587 -14.904 1.00 0.00 O ATOM 464 CB ASN A 345 12.942 4.436 -15.275 1.00 0.00 C ATOM 465 CG ASN A 345 14.172 5.323 -15.236 1.00 0.00 C ATOM 466 OD1 ASN A 345 14.063 6.541 -15.092 1.00 0.00 O ATOM 467 ND2 ASN A 345 15.347 4.727 -15.377 1.00 0.00 N ATOM 0 H ASN A 345 13.417 2.087 -13.729 1.00 0.00 H new ATOM 0 HA ASN A 345 12.461 4.832 -13.225 1.00 0.00 H new ATOM 0 HB2 ASN A 345 13.147 3.567 -15.900 1.00 0.00 H new ATOM 0 HB3 ASN A 345 12.123 4.980 -15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 345 16.204 5.280 -15.369 1.00 0.00 H new ATOM 0 HD22 ASN A 345 15.395 3.715 -15.494 1.00 0.00 H new ATOM 474 N CYS A 346 10.285 3.606 -12.964 1.00 0.00 N ATOM 475 CA CYS A 346 8.925 3.074 -12.881 1.00 0.00 C ATOM 476 C CYS A 346 8.233 3.688 -11.670 1.00 0.00 C ATOM 477 O CYS A 346 8.861 3.877 -10.631 1.00 0.00 O ATOM 478 CB CYS A 346 8.936 1.539 -12.768 1.00 0.00 C ATOM 479 SG CYS A 346 7.295 0.754 -12.772 1.00 0.00 S ATOM 0 H CYS A 346 10.538 4.210 -12.182 1.00 0.00 H new ATOM 0 HA CYS A 346 8.383 3.333 -13.791 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.518 1.133 -13.596 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.452 1.261 -11.849 1.00 0.00 H new ATOM 0 HG CYS A 346 7.203 -0.065 -11.766 1.00 0.00 H new ATOM 484 N TYR A 347 6.950 4.001 -11.805 1.00 0.00 N ATOM 485 CA TYR A 347 6.217 4.700 -10.752 1.00 0.00 C ATOM 486 C TYR A 347 4.756 4.249 -10.699 1.00 0.00 C ATOM 487 O TYR A 347 3.853 5.041 -10.414 1.00 0.00 O ATOM 488 CB TYR A 347 6.311 6.215 -10.973 1.00 0.00 C ATOM 489 CG TYR A 347 6.169 6.638 -12.421 1.00 0.00 C ATOM 490 CD1 TYR A 347 4.971 6.477 -13.102 1.00 0.00 C ATOM 491 CD2 TYR A 347 7.237 7.210 -13.099 1.00 0.00 C ATOM 492 CE1 TYR A 347 4.842 6.873 -14.420 1.00 0.00 C ATOM 493 CE2 TYR A 347 7.117 7.605 -14.415 1.00 0.00 C ATOM 494 CZ TYR A 347 5.916 7.436 -15.071 1.00 0.00 C ATOM 495 OH TYR A 347 5.793 7.833 -16.385 1.00 0.00 O ATOM 0 H TYR A 347 6.394 3.783 -12.632 1.00 0.00 H new ATOM 0 HA TYR A 347 6.670 4.452 -9.792 1.00 0.00 H new ATOM 0 HB2 TYR A 347 5.536 6.706 -10.384 1.00 0.00 H new ATOM 0 HB3 TYR A 347 7.270 6.568 -10.595 1.00 0.00 H new ATOM 0 HD1 TYR A 347 4.126 6.035 -12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.178 7.348 -12.587 1.00 0.00 H new ATOM 0 HE1 TYR A 347 3.903 6.741 -14.937 1.00 0.00 H new ATOM 0 HE2 TYR A 347 7.959 8.044 -14.929 1.00 0.00 H new ATOM 0 HH TYR A 347 6.643 8.211 -16.693 1.00 0.00 H new ATOM 505 N THR A 348 4.543 2.969 -10.953 1.00 0.00 N ATOM 506 CA THR A 348 3.205 2.389 -10.954 1.00 0.00 C ATOM 507 C THR A 348 2.610 2.368 -9.543 1.00 0.00 C ATOM 508 O THR A 348 3.158 1.730 -8.647 1.00 0.00 O ATOM 509 CB THR A 348 3.245 0.949 -11.492 1.00 0.00 C ATOM 510 OG1 THR A 348 4.346 0.796 -12.400 1.00 0.00 O ATOM 511 CG2 THR A 348 1.949 0.603 -12.203 1.00 0.00 C ATOM 0 H THR A 348 5.286 2.303 -11.164 1.00 0.00 H new ATOM 0 HA THR A 348 2.581 3.010 -11.597 1.00 0.00 H new ATOM 0 HB THR A 348 3.372 0.272 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.166 0.621 -11.893 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.000 -0.420 -12.575 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.116 0.694 -11.506 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.799 1.286 -13.039 1.00 0.00 H new ATOM 519 N ALA A 349 1.488 3.049 -9.355 1.00 0.00 N ATOM 520 CA ALA A 349 0.860 3.142 -8.042 1.00 0.00 C ATOM 521 C ALA A 349 -0.317 2.179 -7.913 1.00 0.00 C ATOM 522 O ALA A 349 -1.172 2.101 -8.799 1.00 0.00 O ATOM 523 CB ALA A 349 0.402 4.568 -7.784 1.00 0.00 C ATOM 0 H ALA A 349 0.993 3.546 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 349 1.602 2.860 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.066 4.628 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.261 5.238 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.318 4.862 -8.547 1.00 0.00 H new ATOM 529 N PHE A 350 -0.350 1.444 -6.806 1.00 0.00 N ATOM 530 CA PHE A 350 -1.433 0.512 -6.528 1.00 0.00 C ATOM 531 C PHE A 350 -1.593 0.310 -5.027 1.00 0.00 C ATOM 532 O PHE A 350 -0.926 0.967 -4.235 1.00 0.00 O ATOM 533 CB PHE A 350 -1.207 -0.835 -7.235 1.00 0.00 C ATOM 534 CG PHE A 350 0.163 -1.432 -7.036 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.262 -0.910 -7.697 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.346 -2.529 -6.209 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.514 -1.461 -7.536 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.600 -3.085 -6.042 1.00 0.00 C ATOM 539 CZ PHE A 350 2.685 -2.550 -6.706 1.00 0.00 C ATOM 0 H PHE A 350 0.368 1.478 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.354 0.943 -6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.953 -1.546 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.378 -0.702 -8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.136 -0.058 -8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.500 -2.954 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.361 -1.041 -8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.731 -3.938 -5.392 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.666 -2.983 -6.576 1.00 0.00 H new ATOM 549 N HIS A 351 -2.483 -0.595 -4.640 1.00 0.00 N ATOM 550 CA HIS A 351 -2.765 -0.840 -3.228 1.00 0.00 C ATOM 551 C HIS A 351 -2.004 -2.052 -2.722 1.00 0.00 C ATOM 552 O HIS A 351 -1.622 -2.922 -3.506 1.00 0.00 O ATOM 553 CB HIS A 351 -4.259 -1.075 -2.995 1.00 0.00 C ATOM 554 CG HIS A 351 -5.112 0.127 -3.212 1.00 0.00 C ATOM 555 ND1 HIS A 351 -5.981 0.260 -4.287 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.263 1.240 -2.460 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.624 1.418 -4.164 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.206 2.021 -3.072 1.00 0.00 N ATOM 0 H HIS A 351 -3.023 -1.173 -5.284 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.446 0.048 -2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.597 -1.870 -3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.404 -1.429 -1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.737 1.470 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.367 1.800 -4.848 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.533 2.927 -2.735 1.00 0.00 H new ATOM 566 N VAL A 352 -1.814 -2.115 -1.410 1.00 0.00 N ATOM 567 CA VAL A 352 -1.192 -3.273 -0.780 1.00 0.00 C ATOM 568 C VAL A 352 -2.056 -4.514 -0.997 1.00 0.00 C ATOM 569 O VAL A 352 -1.547 -5.600 -1.278 1.00 0.00 O ATOM 570 CB VAL A 352 -0.977 -3.051 0.734 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.272 -4.243 1.371 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.190 -1.772 0.977 1.00 0.00 C ATOM 0 H VAL A 352 -2.082 -1.376 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.216 -3.417 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.956 -2.952 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.135 -4.058 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.877 -5.139 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.700 -4.385 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.047 -1.631 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.781 -1.844 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.739 -0.924 0.569 1.00 0.00 H new ATOM 582 N THR A 353 -3.370 -4.337 -0.893 1.00 0.00 N ATOM 583 CA THR A 353 -4.305 -5.426 -1.131 1.00 0.00 C ATOM 584 C THR A 353 -4.308 -5.826 -2.608 1.00 0.00 C ATOM 585 O THR A 353 -4.540 -6.986 -2.940 1.00 0.00 O ATOM 586 CB THR A 353 -5.742 -5.069 -0.675 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.623 -6.182 -0.881 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.281 -3.854 -1.422 1.00 0.00 C ATOM 0 H THR A 353 -3.809 -3.450 -0.646 1.00 0.00 H new ATOM 0 HA THR A 353 -3.967 -6.272 -0.533 1.00 0.00 H new ATOM 0 HB THR A 353 -5.696 -4.829 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.527 -5.943 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.291 -3.633 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.637 -2.995 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.301 -4.064 -2.491 1.00 0.00 H new ATOM 596 N CYS A 354 -4.015 -4.870 -3.490 1.00 0.00 N ATOM 597 CA CYS A 354 -3.933 -5.155 -4.918 1.00 0.00 C ATOM 598 C CYS A 354 -2.732 -6.047 -5.204 1.00 0.00 C ATOM 599 O CYS A 354 -2.775 -6.909 -6.079 1.00 0.00 O ATOM 600 CB CYS A 354 -3.819 -3.860 -5.732 1.00 0.00 C ATOM 601 SG CYS A 354 -5.254 -2.758 -5.624 1.00 0.00 S ATOM 0 H CYS A 354 -3.832 -3.898 -3.240 1.00 0.00 H new ATOM 0 HA CYS A 354 -4.847 -5.670 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -2.936 -3.315 -5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -3.657 -4.119 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.825 -2.674 -6.789 1.00 0.00 H new ATOM 606 N ALA A 355 -1.663 -5.835 -4.447 1.00 0.00 N ATOM 607 CA ALA A 355 -0.453 -6.628 -4.590 1.00 0.00 C ATOM 608 C ALA A 355 -0.701 -8.066 -4.163 1.00 0.00 C ATOM 609 O ALA A 355 -0.299 -9.006 -4.851 1.00 0.00 O ATOM 610 CB ALA A 355 0.669 -6.017 -3.770 1.00 0.00 C ATOM 0 H ALA A 355 -1.612 -5.116 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.160 -6.630 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.571 -6.618 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.863 -5.002 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.380 -5.992 -2.719 1.00 0.00 H new ATOM 616 N GLN A 356 -1.375 -8.225 -3.030 1.00 0.00 N ATOM 617 CA GLN A 356 -1.738 -9.544 -2.532 1.00 0.00 C ATOM 618 C GLN A 356 -2.716 -10.211 -3.489 1.00 0.00 C ATOM 619 O GLN A 356 -2.637 -11.411 -3.740 1.00 0.00 O ATOM 620 CB GLN A 356 -2.383 -9.439 -1.151 1.00 0.00 C ATOM 621 CG GLN A 356 -1.483 -8.826 -0.097 1.00 0.00 C ATOM 622 CD GLN A 356 -2.199 -8.650 1.226 1.00 0.00 C ATOM 623 OE1 GLN A 356 -3.098 -9.419 1.567 1.00 0.00 O ATOM 624 NE2 GLN A 356 -1.811 -7.635 1.975 1.00 0.00 N ATOM 0 H GLN A 356 -1.682 -7.453 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.830 -10.142 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.292 -8.843 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.683 -10.435 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.608 -9.460 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.123 -7.858 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.062 -7.022 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.260 -7.464 2.874 1.00 0.00 H new ATOM 633 N LYS A 357 -3.634 -9.412 -4.019 1.00 0.00 N ATOM 634 CA LYS A 357 -4.664 -9.904 -4.924 1.00 0.00 C ATOM 635 C LYS A 357 -4.046 -10.437 -6.210 1.00 0.00 C ATOM 636 O LYS A 357 -4.482 -11.456 -6.745 1.00 0.00 O ATOM 637 CB LYS A 357 -5.642 -8.777 -5.258 1.00 0.00 C ATOM 638 CG LYS A 357 -7.046 -9.251 -5.595 1.00 0.00 C ATOM 639 CD LYS A 357 -7.725 -9.888 -4.389 1.00 0.00 C ATOM 640 CE LYS A 357 -7.791 -8.928 -3.207 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.593 -9.482 -2.085 1.00 0.00 N ATOM 0 H LYS A 357 -3.685 -8.410 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.195 -10.717 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.695 -8.094 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.250 -8.209 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.641 -8.408 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.002 -9.972 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.733 -10.200 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -7.181 -10.787 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.781 -8.712 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.226 -7.983 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.613 -8.798 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.564 -9.665 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.164 -10.371 -1.758 1.00 0.00 H new ATOM 655 N ALA A 358 -3.032 -9.738 -6.701 1.00 0.00 N ATOM 656 CA ALA A 358 -2.365 -10.122 -7.938 1.00 0.00 C ATOM 657 C ALA A 358 -1.343 -11.230 -7.705 1.00 0.00 C ATOM 658 O ALA A 358 -1.094 -12.051 -8.588 1.00 0.00 O ATOM 659 CB ALA A 358 -1.698 -8.912 -8.571 1.00 0.00 C ATOM 0 H ALA A 358 -2.652 -8.900 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.123 -10.510 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.203 -9.211 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.451 -8.155 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -0.961 -8.500 -7.881 1.00 0.00 H new ATOM 665 N GLY A 359 -0.758 -11.251 -6.516 1.00 0.00 N ATOM 666 CA GLY A 359 0.272 -12.223 -6.216 1.00 0.00 C ATOM 667 C GLY A 359 1.566 -11.881 -6.917 1.00 0.00 C ATOM 668 O GLY A 359 2.249 -12.756 -7.456 1.00 0.00 O ATOM 0 H GLY A 359 -0.979 -10.611 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.438 -12.261 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.060 -13.215 -6.523 1.00 0.00 H new ATOM 672 N LEU A 360 1.897 -10.599 -6.915 1.00 0.00 N ATOM 673 CA LEU A 360 3.092 -10.118 -7.593 1.00 0.00 C ATOM 674 C LEU A 360 4.340 -10.319 -6.729 1.00 0.00 C ATOM 675 O LEU A 360 4.285 -10.966 -5.679 1.00 0.00 O ATOM 676 CB LEU A 360 2.920 -8.645 -8.003 1.00 0.00 C ATOM 677 CG LEU A 360 2.389 -7.694 -6.917 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.473 -7.323 -5.914 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.804 -6.443 -7.554 1.00 0.00 C ATOM 0 H LEU A 360 1.354 -9.871 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 360 3.232 -10.707 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.885 -8.270 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.242 -8.604 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 360 1.603 -8.217 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 360 3.059 -6.650 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.843 -8.226 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.294 -6.827 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.432 -5.778 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.577 -5.932 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.984 -6.721 -8.216 1.00 0.00 H new ATOM 691 N TYR A 361 5.464 -9.774 -7.176 1.00 0.00 N ATOM 692 CA TYR A 361 6.730 -9.951 -6.475 1.00 0.00 C ATOM 693 C TYR A 361 6.887 -8.919 -5.364 1.00 0.00 C ATOM 694 O TYR A 361 6.757 -7.715 -5.592 1.00 0.00 O ATOM 695 CB TYR A 361 7.906 -9.852 -7.456 1.00 0.00 C ATOM 696 CG TYR A 361 9.263 -10.063 -6.817 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.947 -9.006 -6.233 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.861 -11.315 -6.807 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.185 -9.187 -5.656 1.00 0.00 C ATOM 700 CE2 TYR A 361 11.100 -11.506 -6.229 1.00 0.00 C ATOM 701 CZ TYR A 361 11.758 -10.440 -5.655 1.00 0.00 C ATOM 702 OH TYR A 361 12.996 -10.623 -5.086 1.00 0.00 O ATOM 0 H TYR A 361 5.525 -9.206 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 361 6.729 -10.944 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.769 -10.590 -8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.888 -8.871 -7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.500 -8.023 -6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.350 -12.152 -7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.703 -8.352 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.552 -12.487 -6.227 1.00 0.00 H new ATOM 0 HH TYR A 361 13.257 -11.564 -5.167 1.00 0.00 H new ATOM 712 N MET A 362 7.170 -9.403 -4.166 1.00 0.00 N ATOM 713 CA MET A 362 7.422 -8.538 -3.025 1.00 0.00 C ATOM 714 C MET A 362 8.752 -8.879 -2.371 1.00 0.00 C ATOM 715 O MET A 362 9.011 -10.033 -2.028 1.00 0.00 O ATOM 716 CB MET A 362 6.304 -8.660 -1.987 1.00 0.00 C ATOM 717 CG MET A 362 5.190 -7.638 -2.145 1.00 0.00 C ATOM 718 SD MET A 362 3.970 -7.737 -0.819 1.00 0.00 S ATOM 719 CE MET A 362 3.037 -6.236 -1.109 1.00 0.00 C ATOM 0 H MET A 362 7.231 -10.400 -3.957 1.00 0.00 H new ATOM 0 HA MET A 362 7.455 -7.513 -3.394 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.875 -9.660 -2.048 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.736 -8.559 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.620 -6.637 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.694 -7.791 -3.103 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.006 -6.380 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.482 -5.416 -0.545 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.054 -5.997 -2.172 1.00 0.00 H new ATOM 729 N LYS A 363 9.595 -7.874 -2.224 1.00 0.00 N ATOM 730 CA LYS A 363 10.821 -8.007 -1.461 1.00 0.00 C ATOM 731 C LYS A 363 10.618 -7.341 -0.108 1.00 0.00 C ATOM 732 O LYS A 363 9.858 -6.378 -0.001 1.00 0.00 O ATOM 733 CB LYS A 363 11.993 -7.362 -2.207 1.00 0.00 C ATOM 734 CG LYS A 363 13.343 -7.580 -1.539 1.00 0.00 C ATOM 735 CD LYS A 363 14.134 -6.285 -1.444 1.00 0.00 C ATOM 736 CE LYS A 363 14.533 -5.752 -2.812 1.00 0.00 C ATOM 737 NZ LYS A 363 15.090 -4.378 -2.723 1.00 0.00 N ATOM 0 H LYS A 363 9.450 -6.948 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 363 11.058 -9.062 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 363 12.031 -7.762 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.810 -6.291 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.194 -7.990 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.915 -8.316 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.538 -5.535 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 363 15.030 -6.452 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.272 -6.416 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 363 13.664 -5.751 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 15.444 -4.086 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 14.345 -3.721 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.871 -4.364 -2.036 1.00 0.00 H new ATOM 751 N MET A 364 11.297 -7.833 0.913 1.00 0.00 N ATOM 752 CA MET A 364 11.079 -7.372 2.271 1.00 0.00 C ATOM 753 C MET A 364 12.392 -7.430 3.010 1.00 0.00 C ATOM 754 O MET A 364 12.883 -8.506 3.346 1.00 0.00 O ATOM 755 CB MET A 364 10.032 -8.231 2.994 1.00 0.00 C ATOM 756 CG MET A 364 8.654 -8.201 2.353 1.00 0.00 C ATOM 757 SD MET A 364 7.454 -9.239 3.210 1.00 0.00 S ATOM 758 CE MET A 364 5.994 -8.942 2.213 1.00 0.00 C ATOM 0 H MET A 364 12.009 -8.558 0.825 1.00 0.00 H new ATOM 0 HA MET A 364 10.701 -6.350 2.243 1.00 0.00 H new ATOM 0 HB2 MET A 364 10.383 -9.262 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.948 -7.890 4.026 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.290 -7.174 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.735 -8.529 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.127 -8.823 2.863 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.134 -8.035 1.624 1.00 0.00 H new ATOM 0 HE3 MET A 364 5.832 -9.787 1.544 1.00 0.00 H new ATOM 768 N GLU A 365 12.967 -6.275 3.234 1.00 0.00 N ATOM 769 CA GLU A 365 14.255 -6.193 3.869 1.00 0.00 C ATOM 770 C GLU A 365 14.094 -5.713 5.300 1.00 0.00 C ATOM 771 O GLU A 365 13.519 -4.652 5.547 1.00 0.00 O ATOM 772 CB GLU A 365 15.145 -5.240 3.080 1.00 0.00 C ATOM 773 CG GLU A 365 15.523 -5.745 1.701 1.00 0.00 C ATOM 774 CD GLU A 365 16.402 -4.765 0.946 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.863 -3.821 0.331 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.639 -4.938 0.957 1.00 0.00 O ATOM 0 H GLU A 365 12.559 -5.374 2.984 1.00 0.00 H new ATOM 0 HA GLU A 365 14.720 -7.179 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.633 -4.283 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 365 16.056 -5.055 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 365 16.044 -6.697 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.617 -5.934 1.125 1.00 0.00 H new ATOM 783 N PRO A 366 14.576 -6.497 6.265 1.00 0.00 N ATOM 784 CA PRO A 366 14.520 -6.123 7.664 1.00 0.00 C ATOM 785 C PRO A 366 15.719 -5.276 8.073 1.00 0.00 C ATOM 786 O PRO A 366 16.871 -5.680 7.906 1.00 0.00 O ATOM 787 CB PRO A 366 14.535 -7.472 8.378 1.00 0.00 C ATOM 788 CG PRO A 366 15.294 -8.389 7.471 1.00 0.00 C ATOM 789 CD PRO A 366 15.192 -7.824 6.073 1.00 0.00 C ATOM 0 HA PRO A 366 13.649 -5.512 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 366 15.016 -7.396 9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 366 13.523 -7.838 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 366 16.336 -8.460 7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.880 -9.397 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 366 16.172 -7.744 5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.581 -8.458 5.430 1.00 0.00 H new ATOM 797 N VAL A 367 15.449 -4.096 8.592 1.00 0.00 N ATOM 798 CA VAL A 367 16.504 -3.208 9.025 1.00 0.00 C ATOM 799 C VAL A 367 16.620 -3.268 10.544 1.00 0.00 C ATOM 800 O VAL A 367 15.610 -3.326 11.254 1.00 0.00 O ATOM 801 CB VAL A 367 16.252 -1.754 8.548 1.00 0.00 C ATOM 802 CG1 VAL A 367 15.200 -1.065 9.377 1.00 0.00 C ATOM 803 CG2 VAL A 367 17.540 -0.954 8.526 1.00 0.00 C ATOM 0 H VAL A 367 14.506 -3.731 8.724 1.00 0.00 H new ATOM 0 HA VAL A 367 17.443 -3.534 8.577 1.00 0.00 H new ATOM 0 HB VAL A 367 15.873 -1.811 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 367 15.055 -0.049 9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 367 14.262 -1.615 9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 367 15.521 -1.031 10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 367 17.332 0.061 8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 367 17.966 -0.922 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 367 18.249 -1.425 7.846 1.00 0.00 H new ATOM 813 N LYS A 368 17.841 -3.302 11.043 1.00 0.00 N ATOM 814 CA LYS A 368 18.047 -3.359 12.476 1.00 0.00 C ATOM 815 C LYS A 368 18.316 -1.964 13.008 1.00 0.00 C ATOM 816 O LYS A 368 19.252 -1.291 12.576 1.00 0.00 O ATOM 817 CB LYS A 368 19.195 -4.305 12.840 1.00 0.00 C ATOM 818 CG LYS A 368 19.291 -4.577 14.336 1.00 0.00 C ATOM 819 CD LYS A 368 20.404 -5.558 14.669 1.00 0.00 C ATOM 820 CE LYS A 368 21.774 -4.964 14.398 1.00 0.00 C ATOM 821 NZ LYS A 368 22.869 -5.889 14.796 1.00 0.00 N ATOM 0 H LYS A 368 18.695 -3.291 10.485 1.00 0.00 H new ATOM 0 HA LYS A 368 17.142 -3.753 12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 368 19.061 -5.249 12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 368 20.135 -3.877 12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 368 19.465 -3.639 14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 368 18.340 -4.973 14.694 1.00 0.00 H new ATOM 0 HD2 LYS A 368 20.333 -5.847 15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 368 20.278 -6.466 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 368 21.865 -4.730 13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 368 21.876 -4.025 14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 23.788 -5.446 14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 22.798 -6.093 15.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 22.787 -6.776 14.259 1.00 0.00 H new ATOM 835 N GLU A 369 17.479 -1.536 13.932 1.00 0.00 N ATOM 836 CA GLU A 369 17.553 -0.202 14.492 1.00 0.00 C ATOM 837 C GLU A 369 17.652 -0.255 16.006 1.00 0.00 C ATOM 838 O GLU A 369 17.614 -1.326 16.610 1.00 0.00 O ATOM 839 CB GLU A 369 16.336 0.623 14.086 1.00 0.00 C ATOM 840 CG GLU A 369 16.557 1.521 12.897 1.00 0.00 C ATOM 841 CD GLU A 369 15.293 2.248 12.498 1.00 0.00 C ATOM 842 OE1 GLU A 369 14.402 1.618 11.892 1.00 0.00 O ATOM 843 OE2 GLU A 369 15.178 3.456 12.798 1.00 0.00 O ATOM 0 H GLU A 369 16.726 -2.106 14.317 1.00 0.00 H new ATOM 0 HA GLU A 369 18.451 0.273 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 369 15.511 -0.054 13.865 1.00 0.00 H new ATOM 0 HB3 GLU A 369 16.028 1.234 14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 369 17.336 2.247 13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 369 16.916 0.928 12.056 1.00 0.00 H new ATOM 850 N LEU A 370 17.768 0.913 16.603 1.00 0.00 N ATOM 851 CA LEU A 370 17.937 1.048 18.030 1.00 0.00 C ATOM 852 C LEU A 370 17.586 2.471 18.411 1.00 0.00 C ATOM 853 O LEU A 370 18.448 3.317 18.640 1.00 0.00 O ATOM 854 CB LEU A 370 19.361 0.687 18.463 1.00 0.00 C ATOM 855 CG LEU A 370 19.531 0.488 19.964 1.00 0.00 C ATOM 856 CD1 LEU A 370 20.443 -0.700 20.235 1.00 0.00 C ATOM 857 CD2 LEU A 370 20.091 1.738 20.624 1.00 0.00 C ATOM 0 H LEU A 370 17.747 1.802 16.104 1.00 0.00 H new ATOM 0 HA LEU A 370 17.276 0.353 18.547 1.00 0.00 H new ATOM 0 HB2 LEU A 370 19.663 -0.227 17.951 1.00 0.00 H new ATOM 0 HB3 LEU A 370 20.039 1.475 18.134 1.00 0.00 H new ATOM 0 HG LEU A 370 18.548 0.290 20.392 1.00 0.00 H new ATOM 0 HD11 LEU A 370 20.557 -0.833 21.311 1.00 0.00 H new ATOM 0 HD12 LEU A 370 20.006 -1.600 19.803 1.00 0.00 H new ATOM 0 HD13 LEU A 370 21.420 -0.519 19.786 1.00 0.00 H new ATOM 0 HD21 LEU A 370 20.201 1.566 21.695 1.00 0.00 H new ATOM 0 HD22 LEU A 370 21.064 1.973 20.192 1.00 0.00 H new ATOM 0 HD23 LEU A 370 19.410 2.573 20.459 1.00 0.00 H new ATOM 869 N THR A 371 16.306 2.734 18.390 1.00 0.00 N ATOM 870 CA THR A 371 15.787 4.062 18.663 1.00 0.00 C ATOM 871 C THR A 371 15.549 4.260 20.158 1.00 0.00 C ATOM 872 O THR A 371 14.741 3.557 20.769 1.00 0.00 O ATOM 873 CB THR A 371 14.475 4.294 17.893 1.00 0.00 C ATOM 874 OG1 THR A 371 14.637 3.873 16.532 1.00 0.00 O ATOM 875 CG2 THR A 371 14.070 5.761 17.925 1.00 0.00 C ATOM 0 H THR A 371 15.588 2.039 18.184 1.00 0.00 H new ATOM 0 HA THR A 371 16.531 4.787 18.331 1.00 0.00 H new ATOM 0 HB THR A 371 13.689 3.711 18.373 1.00 0.00 H new ATOM 0 HG1 THR A 371 13.801 4.019 16.043 1.00 0.00 H new ATOM 0 HG21 THR A 371 13.140 5.894 17.373 1.00 0.00 H new ATOM 0 HG22 THR A 371 13.927 6.076 18.958 1.00 0.00 H new ATOM 0 HG23 THR A 371 14.853 6.365 17.467 1.00 0.00 H new ATOM 883 N GLY A 372 16.267 5.212 20.740 1.00 0.00 N ATOM 884 CA GLY A 372 16.108 5.509 22.146 1.00 0.00 C ATOM 885 C GLY A 372 16.870 4.542 23.025 1.00 0.00 C ATOM 886 O GLY A 372 18.041 4.251 22.771 1.00 0.00 O ATOM 0 H GLY A 372 16.960 5.785 20.258 1.00 0.00 H new ATOM 0 HA2 GLY A 372 16.453 6.524 22.342 1.00 0.00 H new ATOM 0 HA3 GLY A 372 15.050 5.476 22.405 1.00 0.00 H new ATOM 890 N GLY A 373 16.205 4.035 24.050 1.00 0.00 N ATOM 891 CA GLY A 373 16.846 3.123 24.970 1.00 0.00 C ATOM 892 C GLY A 373 16.393 1.697 24.756 1.00 0.00 C ATOM 893 O GLY A 373 15.989 1.015 25.699 1.00 0.00 O ATOM 0 H GLY A 373 15.228 4.240 24.261 1.00 0.00 H new ATOM 0 HA2 GLY A 373 17.927 3.183 24.847 1.00 0.00 H new ATOM 0 HA3 GLY A 373 16.625 3.425 25.994 1.00 0.00 H new ATOM 897 N GLY A 374 16.442 1.256 23.510 1.00 0.00 N ATOM 898 CA GLY A 374 16.050 -0.096 23.186 1.00 0.00 C ATOM 899 C GLY A 374 16.180 -0.383 21.706 1.00 0.00 C ATOM 900 O GLY A 374 16.239 0.542 20.895 1.00 0.00 O ATOM 0 H GLY A 374 16.748 1.815 22.713 1.00 0.00 H new ATOM 0 HA2 GLY A 374 16.668 -0.797 23.747 1.00 0.00 H new ATOM 0 HA3 GLY A 374 15.018 -0.259 23.498 1.00 0.00 H new ATOM 904 N THR A 375 16.230 -1.660 21.359 1.00 0.00 N ATOM 905 CA THR A 375 16.317 -2.072 19.966 1.00 0.00 C ATOM 906 C THR A 375 14.968 -1.880 19.273 1.00 0.00 C ATOM 907 O THR A 375 13.914 -1.991 19.905 1.00 0.00 O ATOM 908 CB THR A 375 16.769 -3.547 19.847 1.00 0.00 C ATOM 909 OG1 THR A 375 16.889 -3.922 18.469 1.00 0.00 O ATOM 910 CG2 THR A 375 15.792 -4.482 20.546 1.00 0.00 C ATOM 0 H THR A 375 16.212 -2.432 22.026 1.00 0.00 H new ATOM 0 HA THR A 375 17.063 -1.447 19.476 1.00 0.00 H new ATOM 0 HB THR A 375 17.741 -3.635 20.333 1.00 0.00 H new ATOM 0 HG1 THR A 375 17.088 -3.128 17.930 1.00 0.00 H new ATOM 0 HG21 THR A 375 16.137 -5.511 20.445 1.00 0.00 H new ATOM 0 HG22 THR A 375 15.732 -4.222 21.603 1.00 0.00 H new ATOM 0 HG23 THR A 375 14.806 -4.384 20.092 1.00 0.00 H new ATOM 918 N THR A 376 14.998 -1.574 17.981 1.00 0.00 N ATOM 919 CA THR A 376 13.788 -1.357 17.229 1.00 0.00 C ATOM 920 C THR A 376 13.919 -2.023 15.876 1.00 0.00 C ATOM 921 O THR A 376 14.820 -1.729 15.097 1.00 0.00 O ATOM 922 CB THR A 376 13.477 0.148 17.046 1.00 0.00 C ATOM 923 OG1 THR A 376 14.490 0.776 16.267 1.00 0.00 O ATOM 924 CG2 THR A 376 13.404 0.846 18.381 1.00 0.00 C ATOM 0 H THR A 376 15.856 -1.472 17.439 1.00 0.00 H new ATOM 0 HA THR A 376 12.960 -1.793 17.789 1.00 0.00 H new ATOM 0 HB THR A 376 12.516 0.224 16.538 1.00 0.00 H new ATOM 0 HG1 THR A 376 14.461 1.745 16.412 1.00 0.00 H new ATOM 0 HG21 THR A 376 13.184 1.903 18.228 1.00 0.00 H new ATOM 0 HG22 THR A 376 12.616 0.396 18.985 1.00 0.00 H new ATOM 0 HG23 THR A 376 14.359 0.745 18.897 1.00 0.00 H new ATOM 932 N PHE A 377 13.022 -2.927 15.624 1.00 0.00 N ATOM 933 CA PHE A 377 13.019 -3.689 14.398 1.00 0.00 C ATOM 934 C PHE A 377 12.054 -3.073 13.387 1.00 0.00 C ATOM 935 O PHE A 377 10.866 -2.899 13.674 1.00 0.00 O ATOM 936 CB PHE A 377 12.639 -5.133 14.730 1.00 0.00 C ATOM 937 CG PHE A 377 12.405 -5.991 13.534 1.00 0.00 C ATOM 938 CD1 PHE A 377 13.457 -6.602 12.885 1.00 0.00 C ATOM 939 CD2 PHE A 377 11.123 -6.184 13.074 1.00 0.00 C ATOM 940 CE1 PHE A 377 13.232 -7.402 11.781 1.00 0.00 C ATOM 941 CE2 PHE A 377 10.882 -6.982 11.974 1.00 0.00 C ATOM 942 CZ PHE A 377 11.940 -7.593 11.324 1.00 0.00 C ATOM 0 H PHE A 377 12.263 -3.163 16.263 1.00 0.00 H new ATOM 0 HA PHE A 377 14.009 -3.675 13.942 1.00 0.00 H new ATOM 0 HB2 PHE A 377 13.432 -5.577 15.333 1.00 0.00 H new ATOM 0 HB3 PHE A 377 11.737 -5.128 15.343 1.00 0.00 H new ATOM 0 HD1 PHE A 377 14.465 -6.454 13.243 1.00 0.00 H new ATOM 0 HD2 PHE A 377 10.296 -5.706 13.579 1.00 0.00 H new ATOM 0 HE1 PHE A 377 14.061 -7.876 11.277 1.00 0.00 H new ATOM 0 HE2 PHE A 377 9.872 -7.129 11.622 1.00 0.00 H new ATOM 0 HZ PHE A 377 11.758 -8.218 10.462 1.00 0.00 H new ATOM 952 N SER A 378 12.570 -2.730 12.214 1.00 0.00 N ATOM 953 CA SER A 378 11.749 -2.142 11.161 1.00 0.00 C ATOM 954 C SER A 378 11.888 -2.941 9.868 1.00 0.00 C ATOM 955 O SER A 378 12.926 -3.555 9.616 1.00 0.00 O ATOM 956 CB SER A 378 12.156 -0.683 10.918 1.00 0.00 C ATOM 957 OG SER A 378 12.194 0.051 12.133 1.00 0.00 O ATOM 0 H SER A 378 13.552 -2.848 11.967 1.00 0.00 H new ATOM 0 HA SER A 378 10.708 -2.170 11.482 1.00 0.00 H new ATOM 0 HB2 SER A 378 13.135 -0.651 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 378 11.451 -0.216 10.230 1.00 0.00 H new ATOM 0 HG SER A 378 12.962 0.659 12.124 1.00 0.00 H new ATOM 963 N VAL A 379 10.844 -2.943 9.053 1.00 0.00 N ATOM 964 CA VAL A 379 10.886 -3.639 7.776 1.00 0.00 C ATOM 965 C VAL A 379 10.625 -2.664 6.635 1.00 0.00 C ATOM 966 O VAL A 379 9.834 -1.728 6.771 1.00 0.00 O ATOM 967 CB VAL A 379 9.848 -4.780 7.701 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.067 -5.638 6.461 1.00 0.00 C ATOM 969 CG2 VAL A 379 9.879 -5.636 8.957 1.00 0.00 C ATOM 0 H VAL A 379 9.961 -2.473 9.252 1.00 0.00 H new ATOM 0 HA VAL A 379 11.882 -4.072 7.685 1.00 0.00 H new ATOM 0 HB VAL A 379 8.861 -4.323 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.323 -6.434 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 379 9.971 -5.019 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.065 -6.076 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.137 -6.430 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 379 10.870 -6.075 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 379 9.652 -5.017 9.825 1.00 0.00 H new ATOM 979 N ARG A 380 11.297 -2.884 5.522 1.00 0.00 N ATOM 980 CA ARG A 380 11.084 -2.091 4.317 1.00 0.00 C ATOM 981 C ARG A 380 10.790 -3.016 3.141 1.00 0.00 C ATOM 982 O ARG A 380 11.469 -4.025 2.951 1.00 0.00 O ATOM 983 CB ARG A 380 12.303 -1.204 4.029 1.00 0.00 C ATOM 984 CG ARG A 380 13.606 -1.976 3.917 1.00 0.00 C ATOM 985 CD ARG A 380 14.776 -1.077 3.558 1.00 0.00 C ATOM 986 NE ARG A 380 14.983 -0.003 4.529 1.00 0.00 N ATOM 987 CZ ARG A 380 16.006 0.852 4.482 1.00 0.00 C ATOM 988 NH1 ARG A 380 16.904 0.765 3.509 1.00 0.00 N ATOM 989 NH2 ARG A 380 16.122 1.802 5.402 1.00 0.00 N ATOM 0 H ARG A 380 12.004 -3.613 5.423 1.00 0.00 H new ATOM 0 HA ARG A 380 10.227 -1.435 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.133 -0.658 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 380 12.397 -0.462 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 380 13.812 -2.477 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.502 -2.754 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.683 -1.678 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.606 -0.642 2.573 1.00 0.00 H new ATOM 0 HE ARG A 380 14.306 0.098 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 380 16.813 0.043 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 380 17.685 1.420 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 380 15.428 1.879 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 380 16.905 2.455 5.365 1.00 0.00 H new ATOM 1003 N LYS A 381 9.767 -2.690 2.364 1.00 0.00 N ATOM 1004 CA LYS A 381 9.348 -3.559 1.276 1.00 0.00 C ATOM 1005 C LYS A 381 9.648 -2.941 -0.081 1.00 0.00 C ATOM 1006 O LYS A 381 9.440 -1.747 -0.297 1.00 0.00 O ATOM 1007 CB LYS A 381 7.850 -3.869 1.367 1.00 0.00 C ATOM 1008 CG LYS A 381 7.407 -4.424 2.709 1.00 0.00 C ATOM 1009 CD LYS A 381 5.948 -4.851 2.669 1.00 0.00 C ATOM 1010 CE LYS A 381 5.388 -5.055 4.066 1.00 0.00 C ATOM 1011 NZ LYS A 381 5.212 -3.765 4.783 1.00 0.00 N ATOM 0 H LYS A 381 9.216 -1.837 2.466 1.00 0.00 H new ATOM 0 HA LYS A 381 9.916 -4.484 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.289 -2.957 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.591 -4.585 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.031 -5.276 2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.547 -3.669 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.361 -4.095 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.854 -5.776 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 381 4.429 -5.569 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.058 -5.699 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.590 -3.906 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 6.138 -3.418 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.785 -3.067 4.142 1.00 0.00 H new ATOM 1025 N THR A 382 10.149 -3.761 -0.985 1.00 0.00 N ATOM 1026 CA THR A 382 10.323 -3.365 -2.369 1.00 0.00 C ATOM 1027 C THR A 382 9.397 -4.202 -3.236 1.00 0.00 C ATOM 1028 O THR A 382 9.613 -5.401 -3.403 1.00 0.00 O ATOM 1029 CB THR A 382 11.770 -3.559 -2.855 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.693 -2.950 -1.942 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.957 -2.968 -4.244 1.00 0.00 C ATOM 0 H THR A 382 10.445 -4.716 -0.782 1.00 0.00 H new ATOM 0 HA THR A 382 10.087 -2.304 -2.445 1.00 0.00 H new ATOM 0 HB THR A 382 11.968 -4.630 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.200 -2.252 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.987 -3.117 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.282 -3.462 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.735 -1.901 -4.218 1.00 0.00 H new ATOM 1039 N ALA A 383 8.360 -3.585 -3.767 1.00 0.00 N ATOM 1040 CA ALA A 383 7.383 -4.316 -4.552 1.00 0.00 C ATOM 1041 C ALA A 383 7.323 -3.792 -5.975 1.00 0.00 C ATOM 1042 O ALA A 383 7.520 -2.602 -6.222 1.00 0.00 O ATOM 1043 CB ALA A 383 6.012 -4.243 -3.900 1.00 0.00 C ATOM 0 H ALA A 383 8.172 -2.587 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 383 7.695 -5.360 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.292 -4.797 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.060 -4.678 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.699 -3.202 -3.827 1.00 0.00 H new ATOM 1049 N TYR A 384 7.063 -4.689 -6.907 1.00 0.00 N ATOM 1050 CA TYR A 384 6.923 -4.314 -8.298 1.00 0.00 C ATOM 1051 C TYR A 384 5.492 -4.575 -8.744 1.00 0.00 C ATOM 1052 O TYR A 384 4.855 -5.510 -8.267 1.00 0.00 O ATOM 1053 CB TYR A 384 7.906 -5.096 -9.175 1.00 0.00 C ATOM 1054 CG TYR A 384 9.344 -5.041 -8.691 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.072 -3.854 -8.699 1.00 0.00 C ATOM 1056 CD2 TYR A 384 9.972 -6.186 -8.215 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.380 -3.815 -8.251 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.278 -6.152 -7.765 1.00 0.00 C ATOM 1059 CZ TYR A 384 11.978 -4.966 -7.785 1.00 0.00 C ATOM 1060 OH TYR A 384 13.279 -4.927 -7.333 1.00 0.00 O ATOM 0 H TYR A 384 6.944 -5.685 -6.723 1.00 0.00 H new ATOM 0 HA TYR A 384 7.151 -3.254 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.588 -6.138 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 384 7.860 -4.705 -10.191 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.608 -2.949 -9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.429 -7.119 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.931 -2.886 -8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 384 11.748 -7.053 -7.399 1.00 0.00 H new ATOM 0 HH TYR A 384 13.550 -5.822 -7.038 1.00 0.00 H new ATOM 1070 N CYS A 385 4.989 -3.741 -9.649 1.00 0.00 N ATOM 1071 CA CYS A 385 3.610 -3.880 -10.130 1.00 0.00 C ATOM 1072 C CYS A 385 3.410 -5.218 -10.850 1.00 0.00 C ATOM 1073 O CYS A 385 4.375 -5.868 -11.239 1.00 0.00 O ATOM 1074 CB CYS A 385 3.230 -2.701 -11.046 1.00 0.00 C ATOM 1075 SG CYS A 385 4.404 -2.328 -12.383 1.00 0.00 S ATOM 0 H CYS A 385 5.507 -2.966 -10.064 1.00 0.00 H new ATOM 0 HA CYS A 385 2.948 -3.865 -9.264 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.257 -2.910 -11.490 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.115 -1.809 -10.430 1.00 0.00 H new ATOM 0 HG CYS A 385 4.501 -1.040 -12.529 1.00 0.00 H new ATOM 1080 N ASP A 386 2.157 -5.624 -11.021 1.00 0.00 N ATOM 1081 CA ASP A 386 1.857 -6.944 -11.572 1.00 0.00 C ATOM 1082 C ASP A 386 2.337 -7.066 -13.011 1.00 0.00 C ATOM 1083 O ASP A 386 2.972 -8.050 -13.378 1.00 0.00 O ATOM 1084 CB ASP A 386 0.360 -7.246 -11.492 1.00 0.00 C ATOM 1085 CG ASP A 386 0.033 -8.615 -12.062 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.386 -9.630 -11.429 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.569 -8.677 -13.153 1.00 0.00 O ATOM 0 H ASP A 386 1.337 -5.064 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 386 2.393 -7.676 -10.968 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.034 -7.197 -10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 386 -0.195 -6.483 -12.037 1.00 0.00 H new ATOM 1092 N VAL A 387 2.068 -6.048 -13.820 1.00 0.00 N ATOM 1093 CA VAL A 387 2.504 -6.058 -15.216 1.00 0.00 C ATOM 1094 C VAL A 387 4.012 -5.840 -15.327 1.00 0.00 C ATOM 1095 O VAL A 387 4.563 -5.771 -16.427 1.00 0.00 O ATOM 1096 CB VAL A 387 1.779 -4.992 -16.063 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.279 -5.260 -16.101 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.063 -3.591 -15.533 1.00 0.00 C ATOM 0 H VAL A 387 1.555 -5.212 -13.540 1.00 0.00 H new ATOM 0 HA VAL A 387 2.247 -7.043 -15.606 1.00 0.00 H new ATOM 0 HB VAL A 387 2.162 -5.053 -17.082 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.212 -4.496 -16.704 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.096 -6.241 -16.539 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -0.121 -5.235 -15.087 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.541 -2.857 -16.147 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.716 -3.515 -14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.135 -3.398 -15.570 1.00 0.00 H new ATOM 1108 N HIS A 388 4.671 -5.726 -14.181 1.00 0.00 N ATOM 1109 CA HIS A 388 6.117 -5.594 -14.142 1.00 0.00 C ATOM 1110 C HIS A 388 6.741 -6.980 -14.261 1.00 0.00 C ATOM 1111 O HIS A 388 7.943 -7.119 -14.482 1.00 0.00 O ATOM 1112 CB HIS A 388 6.550 -4.912 -12.840 1.00 0.00 C ATOM 1113 CG HIS A 388 7.882 -4.230 -12.894 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.054 -2.884 -12.593 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.112 -4.709 -13.184 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.345 -2.585 -12.698 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.000 -3.671 -13.051 1.00 0.00 N ATOM 0 H HIS A 388 4.223 -5.723 -13.265 1.00 0.00 H new ATOM 0 HA HIS A 388 6.456 -4.975 -14.973 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.794 -4.177 -12.564 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.573 -5.659 -12.047 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.352 -5.723 -13.468 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.783 -1.614 -12.523 1.00 0.00 H new ATOM 0 HE2 HIS A 388 11.007 -3.731 -13.202 1.00 0.00 H new ATOM 1125 N THR A 389 5.907 -8.004 -14.107 1.00 0.00 N ATOM 1126 CA THR A 389 6.341 -9.375 -14.313 1.00 0.00 C ATOM 1127 C THR A 389 6.337 -9.685 -15.811 1.00 0.00 C ATOM 1128 O THR A 389 5.632 -9.021 -16.571 1.00 0.00 O ATOM 1129 CB THR A 389 5.454 -10.379 -13.541 1.00 0.00 C ATOM 1130 OG1 THR A 389 4.098 -10.321 -14.002 1.00 0.00 O ATOM 1131 CG2 THR A 389 5.499 -10.100 -12.044 1.00 0.00 C ATOM 0 H THR A 389 4.927 -7.907 -13.840 1.00 0.00 H new ATOM 0 HA THR A 389 7.353 -9.481 -13.922 1.00 0.00 H new ATOM 0 HB THR A 389 5.847 -11.379 -13.726 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.603 -9.657 -13.478 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.868 -10.818 -11.521 1.00 0.00 H new ATOM 0 HG22 THR A 389 6.525 -10.191 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 389 5.136 -9.090 -11.851 1.00 0.00 H new ATOM 1139 N PRO A 390 7.123 -10.680 -16.256 1.00 0.00 N ATOM 1140 CA PRO A 390 7.403 -10.907 -17.685 1.00 0.00 C ATOM 1141 C PRO A 390 6.197 -11.256 -18.551 1.00 0.00 C ATOM 1142 O PRO A 390 5.602 -12.325 -18.400 1.00 0.00 O ATOM 1143 CB PRO A 390 8.388 -12.085 -17.682 1.00 0.00 C ATOM 1144 CG PRO A 390 8.927 -12.140 -16.297 1.00 0.00 C ATOM 1145 CD PRO A 390 7.812 -11.669 -15.412 1.00 0.00 C ATOM 0 HA PRO A 390 7.775 -9.983 -18.128 1.00 0.00 H new ATOM 0 HB2 PRO A 390 7.888 -13.017 -17.947 1.00 0.00 H new ATOM 0 HB3 PRO A 390 9.186 -11.933 -18.409 1.00 0.00 H new ATOM 0 HG2 PRO A 390 9.234 -13.153 -16.036 1.00 0.00 H new ATOM 0 HG3 PRO A 390 9.806 -11.504 -16.193 1.00 0.00 H new ATOM 0 HD2 PRO A 390 7.151 -12.486 -15.125 1.00 0.00 H new ATOM 0 HD3 PRO A 390 8.187 -11.223 -14.491 1.00 0.00 H new