USER MOD reduce.3.24.130724 H: found=0, std=0, add=330, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 328 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 284 SER OG : rot 180:sc= 0.427 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.03 K(o=1.5,f=0.85) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.13 USER MOD Set 2.2: A 264 CYS SG : rot 148:sc= 2.02 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -107:sc= 1.1 (180deg=-0.0299) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 2.96 USER MOD Set 2.5: A 296 CYS SG : rot -12:sc= 1.32 USER MOD Single : A 258 GLN : amide:sc= -0.0588 K(o=-0.059,f=0.94) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.86) USER MOD Single : A 277 SER OG : rot -37:sc=0.000513 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.46) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00999 USER MOD Single : A 292 GLN : amide:sc= 1.12 K(o=1.1,f=-0.27) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.097 K(o=-0.097,f=-0.98) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.634 0.666 -5.024 1.00 0.00 N ATOM 195 CA VAL A 255 0.291 1.105 -4.603 1.00 0.00 C ATOM 196 C VAL A 255 0.096 0.814 -3.111 1.00 0.00 C ATOM 197 O VAL A 255 0.470 -0.257 -2.627 1.00 0.00 O ATOM 198 CB VAL A 255 -0.818 0.412 -5.434 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.222 0.948 -5.093 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.582 0.581 -6.946 1.00 0.00 C ATOM 0 HA VAL A 255 0.213 2.178 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.769 -0.645 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -2.966 0.432 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.432 0.774 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.263 2.017 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.379 0.082 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.576 1.642 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.377 0.139 -7.216 1.00 0.00 H new ATOM 210 N TRP A 256 -0.523 1.762 -2.403 1.00 0.00 N ATOM 211 CA TRP A 256 -0.876 1.652 -0.985 1.00 0.00 C ATOM 212 C TRP A 256 -2.339 2.069 -0.738 1.00 0.00 C ATOM 213 O TRP A 256 -2.890 2.907 -1.459 1.00 0.00 O ATOM 214 CB TRP A 256 0.065 2.520 -0.139 1.00 0.00 C ATOM 215 CG TRP A 256 1.524 2.205 -0.121 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.406 2.472 -1.108 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.308 1.635 0.972 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.671 2.100 -0.704 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.673 1.577 0.568 1.00 0.00 C ATOM 220 CE3 TRP A 256 2.007 1.181 2.274 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.687 1.073 1.395 1.00 0.00 C ATOM 222 CZ3 TRP A 256 3.011 0.648 3.106 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.346 0.588 2.670 1.00 0.00 C ATOM 0 H TRP A 256 -0.801 2.654 -2.813 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.767 0.608 -0.692 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.044 3.550 -0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.292 2.484 0.890 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.159 2.909 -2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.506 2.201 -1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.992 1.243 2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.713 1.058 1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.752 0.282 4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.107 0.171 3.312 1.00 0.00 H new ATOM 234 N VAL A 257 -2.948 1.502 0.307 1.00 0.00 N ATOM 235 CA VAL A 257 -4.389 1.614 0.623 1.00 0.00 C ATOM 236 C VAL A 257 -4.616 1.951 2.094 1.00 0.00 C ATOM 237 O VAL A 257 -4.070 1.278 2.965 1.00 0.00 O ATOM 238 CB VAL A 257 -5.151 0.301 0.320 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.607 0.252 -1.135 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.338 -0.970 0.625 1.00 0.00 C ATOM 0 H VAL A 257 -2.441 0.932 0.984 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.769 2.416 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.012 0.313 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.139 -0.681 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.270 1.093 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.738 0.309 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.936 -1.850 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.430 -0.975 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.071 -0.986 1.682 1.00 0.00 H new ATOM 250 N GLN A 258 -5.434 2.972 2.366 1.00 0.00 N ATOM 251 CA GLN A 258 -5.792 3.387 3.721 1.00 0.00 C ATOM 252 C GLN A 258 -7.049 2.651 4.210 1.00 0.00 C ATOM 253 O GLN A 258 -8.071 2.622 3.519 1.00 0.00 O ATOM 254 CB GLN A 258 -5.999 4.908 3.771 1.00 0.00 C ATOM 255 CG GLN A 258 -6.111 5.434 5.216 1.00 0.00 C ATOM 256 CD GLN A 258 -6.282 6.950 5.305 1.00 0.00 C ATOM 257 OE1 GLN A 258 -5.707 7.734 4.564 1.00 0.00 O ATOM 258 NE2 GLN A 258 -7.086 7.444 6.218 1.00 0.00 N ATOM 0 H GLN A 258 -5.871 3.540 1.640 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.972 3.124 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.167 5.403 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.903 5.168 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.958 4.952 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.217 5.145 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -7.582 6.819 6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -7.215 8.453 6.292 1.00 0.00 H new ATOM 267 N CYS A 259 -6.972 2.103 5.427 1.00 0.00 N ATOM 268 CA CYS A 259 -8.074 1.462 6.140 1.00 0.00 C ATOM 269 C CYS A 259 -9.312 2.381 6.283 1.00 0.00 C ATOM 270 O CYS A 259 -9.196 3.579 6.563 1.00 0.00 O ATOM 271 CB CYS A 259 -7.517 1.043 7.506 1.00 0.00 C ATOM 272 SG CYS A 259 -8.650 -0.115 8.318 1.00 0.00 S ATOM 0 H CYS A 259 -6.103 2.095 5.961 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.435 0.600 5.578 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.539 0.578 7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.374 1.923 8.133 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.212 -0.386 9.512 1.00 0.00 H new ATOM 277 N SER A 260 -10.508 1.818 6.104 1.00 0.00 N ATOM 278 CA SER A 260 -11.798 2.519 6.206 1.00 0.00 C ATOM 279 C SER A 260 -12.118 3.039 7.618 1.00 0.00 C ATOM 280 O SER A 260 -12.859 4.018 7.755 1.00 0.00 O ATOM 281 CB SER A 260 -12.948 1.618 5.726 1.00 0.00 C ATOM 282 OG SER A 260 -13.004 0.388 6.436 1.00 0.00 O ATOM 0 H SER A 260 -10.614 0.829 5.876 1.00 0.00 H new ATOM 0 HA SER A 260 -11.702 3.392 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.894 2.146 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.827 1.415 4.662 1.00 0.00 H new ATOM 0 HG SER A 260 -13.750 -0.151 6.099 1.00 0.00 H new ATOM 288 N PHE A 261 -11.558 2.425 8.669 1.00 0.00 N ATOM 289 CA PHE A 261 -11.784 2.844 10.047 1.00 0.00 C ATOM 290 C PHE A 261 -10.939 4.072 10.426 1.00 0.00 C ATOM 291 O PHE A 261 -9.731 4.092 10.161 1.00 0.00 O ATOM 292 CB PHE A 261 -11.513 1.683 11.002 1.00 0.00 C ATOM 293 CG PHE A 261 -12.479 0.522 10.885 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.795 0.645 11.370 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.056 -0.688 10.305 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.683 -0.444 11.273 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.937 -1.777 10.221 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.254 -1.656 10.699 1.00 0.00 C ATOM 0 H PHE A 261 -10.935 1.622 8.581 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.830 3.139 10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.502 1.315 10.826 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.541 2.059 12.025 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.123 1.573 11.816 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.050 -0.779 9.923 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.694 -0.349 11.639 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.603 -2.709 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.935 -2.491 10.626 1.00 0.00 H new ATOM 308 N PRO A 262 -11.541 5.068 11.106 1.00 0.00 N ATOM 309 CA PRO A 262 -10.860 6.280 11.548 1.00 0.00 C ATOM 310 C PRO A 262 -9.887 6.014 12.706 1.00 0.00 C ATOM 311 O PRO A 262 -8.856 6.673 12.812 1.00 0.00 O ATOM 312 CB PRO A 262 -11.994 7.213 11.975 1.00 0.00 C ATOM 313 CG PRO A 262 -13.098 6.273 12.457 1.00 0.00 C ATOM 314 CD PRO A 262 -12.934 5.074 11.530 1.00 0.00 C ATOM 0 HA PRO A 262 -10.239 6.705 10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.675 7.890 12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.334 7.832 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.969 5.998 13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.085 6.725 12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.187 4.147 12.045 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.601 5.153 10.671 1.00 0.00 H new ATOM 322 N ASN A 263 -10.190 5.012 13.539 1.00 0.00 N ATOM 323 CA ASN A 263 -9.315 4.524 14.617 1.00 0.00 C ATOM 324 C ASN A 263 -8.116 3.685 14.111 1.00 0.00 C ATOM 325 O ASN A 263 -7.219 3.362 14.896 1.00 0.00 O ATOM 326 CB ASN A 263 -10.168 3.760 15.642 1.00 0.00 C ATOM 327 CG ASN A 263 -10.866 2.536 15.055 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.240 1.567 14.646 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.184 2.553 14.979 1.00 0.00 N ATOM 0 H ASN A 263 -11.072 4.504 13.483 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.856 5.389 15.097 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.533 3.445 16.470 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.918 4.434 16.054 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.682 1.758 14.579 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.704 3.361 15.320 1.00 0.00 H new ATOM 336 N CYS A 264 -8.087 3.373 12.810 1.00 0.00 N ATOM 337 CA CYS A 264 -6.976 2.729 12.111 1.00 0.00 C ATOM 338 C CYS A 264 -6.202 3.789 11.315 1.00 0.00 C ATOM 339 O CYS A 264 -5.153 4.262 11.758 1.00 0.00 O ATOM 340 CB CYS A 264 -7.535 1.605 11.217 1.00 0.00 C ATOM 341 SG CYS A 264 -6.501 0.122 11.251 1.00 0.00 S ATOM 0 H CYS A 264 -8.873 3.573 12.191 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.277 2.275 12.813 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.543 1.350 11.545 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.615 1.966 10.192 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.248 -0.931 11.102 1.00 0.00 H new ATOM 346 N GLY A 265 -6.726 4.154 10.134 1.00 0.00 N ATOM 347 CA GLY A 265 -6.077 5.049 9.183 1.00 0.00 C ATOM 348 C GLY A 265 -4.756 4.498 8.638 1.00 0.00 C ATOM 349 O GLY A 265 -3.965 5.248 8.067 1.00 0.00 O ATOM 0 H GLY A 265 -7.636 3.823 9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.755 5.237 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.891 6.008 9.666 1.00 0.00 H new ATOM 353 N LYS A 266 -4.497 3.198 8.830 1.00 0.00 N ATOM 354 CA LYS A 266 -3.244 2.539 8.465 1.00 0.00 C ATOM 355 C LYS A 266 -3.130 2.347 6.949 1.00 0.00 C ATOM 356 O LYS A 266 -4.130 2.060 6.286 1.00 0.00 O ATOM 357 CB LYS A 266 -3.130 1.188 9.188 1.00 0.00 C ATOM 358 CG LYS A 266 -3.047 1.339 10.707 1.00 0.00 C ATOM 359 CD LYS A 266 -2.840 -0.048 11.319 1.00 0.00 C ATOM 360 CE LYS A 266 -2.746 0.019 12.835 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.056 0.369 13.448 1.00 0.00 N ATOM 0 H LYS A 266 -5.173 2.563 9.254 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.421 3.182 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.992 0.571 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.245 0.662 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.224 2.000 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.960 1.792 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.666 -0.700 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.930 -0.492 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.407 -0.942 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.999 0.760 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.025 1.348 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.808 0.280 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.252 -0.276 14.240 1.00 0.00 H new ATOM 375 N TRP A 267 -1.916 2.460 6.406 1.00 0.00 N ATOM 376 CA TRP A 267 -1.641 2.265 4.985 1.00 0.00 C ATOM 377 C TRP A 267 -0.976 0.908 4.761 1.00 0.00 C ATOM 378 O TRP A 267 0.190 0.721 5.097 1.00 0.00 O ATOM 379 CB TRP A 267 -0.770 3.413 4.465 1.00 0.00 C ATOM 380 CG TRP A 267 -1.451 4.743 4.381 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.579 5.635 5.389 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.115 5.349 3.231 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.259 6.750 4.941 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.597 6.637 3.609 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.363 4.933 1.906 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.264 7.482 2.708 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.047 5.765 1.002 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.480 7.044 1.391 1.00 0.00 C ATOM 0 H TRP A 267 -1.086 2.693 6.951 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.577 2.271 4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.101 3.509 5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.402 3.148 3.474 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.206 5.496 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.483 7.557 5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.022 3.961 1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.607 8.456 3.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.242 5.417 -0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.977 7.688 0.680 1.00 0.00 H new ATOM 399 N ARG A 268 -1.706 -0.041 4.174 1.00 0.00 N ATOM 400 CA ARG A 268 -1.152 -1.345 3.795 1.00 0.00 C ATOM 401 C ARG A 268 -0.668 -1.320 2.341 1.00 0.00 C ATOM 402 O ARG A 268 -1.162 -0.536 1.518 1.00 0.00 O ATOM 403 CB ARG A 268 -2.147 -2.488 4.041 1.00 0.00 C ATOM 404 CG ARG A 268 -2.838 -2.485 5.416 1.00 0.00 C ATOM 405 CD ARG A 268 -1.894 -2.470 6.621 1.00 0.00 C ATOM 406 NE ARG A 268 -2.676 -2.609 7.858 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.206 -2.734 9.086 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.942 -2.545 9.395 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.037 -3.046 10.041 1.00 0.00 N ATOM 0 H ARG A 268 -2.694 0.070 3.948 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.293 -1.540 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.915 -2.449 3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.621 -3.435 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.490 -1.614 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.476 -3.366 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.172 -3.283 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.326 -1.540 6.640 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.691 -2.609 7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.272 -2.289 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.631 -2.654 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.025 -3.188 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.699 -3.148 10.998 1.00 0.00 H new ATOM 423 N ARG A 269 0.315 -2.176 2.055 1.00 0.00 N ATOM 424 CA ARG A 269 1.032 -2.278 0.782 1.00 0.00 C ATOM 425 C ARG A 269 0.411 -3.366 -0.109 1.00 0.00 C ATOM 426 O ARG A 269 0.107 -4.454 0.382 1.00 0.00 O ATOM 427 CB ARG A 269 2.496 -2.626 1.105 1.00 0.00 C ATOM 428 CG ARG A 269 3.460 -2.205 -0.011 1.00 0.00 C ATOM 429 CD ARG A 269 4.553 -3.250 -0.265 1.00 0.00 C ATOM 430 NE ARG A 269 4.059 -4.318 -1.152 1.00 0.00 N ATOM 431 CZ ARG A 269 4.614 -5.502 -1.373 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.697 -5.908 -0.743 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.062 -6.293 -2.263 1.00 0.00 N ATOM 0 H ARG A 269 0.650 -2.852 2.741 1.00 0.00 H new ATOM 0 HA ARG A 269 0.969 -1.336 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.786 -2.136 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.583 -3.700 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.898 -2.041 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.924 -1.255 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.423 -2.771 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.879 -3.679 0.682 1.00 0.00 H new ATOM 0 HE ARG A 269 3.192 -4.125 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.143 -5.303 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.090 -6.827 -0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.227 -5.992 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.468 -7.209 -2.453 1.00 0.00 H new ATOM 447 N LEU A 270 0.249 -3.093 -1.408 1.00 0.00 N ATOM 448 CA LEU A 270 -0.332 -4.028 -2.390 1.00 0.00 C ATOM 449 C LEU A 270 0.728 -4.609 -3.346 1.00 0.00 C ATOM 450 O LEU A 270 1.928 -4.390 -3.169 1.00 0.00 O ATOM 451 CB LEU A 270 -1.482 -3.316 -3.139 1.00 0.00 C ATOM 452 CG LEU A 270 -2.650 -2.848 -2.250 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.746 -2.280 -3.156 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.246 -3.972 -1.384 1.00 0.00 C ATOM 0 H LEU A 270 0.522 -2.200 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.738 -4.891 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.074 -2.451 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.873 -3.992 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.259 -2.097 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.584 -1.942 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.349 -1.439 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.087 -3.054 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.064 -3.574 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.623 -4.767 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.474 -4.373 -0.727 1.00 0.00 H new ATOM 529 N PRO A 276 -5.656 1.192 -7.860 1.00 0.00 N ATOM 530 CA PRO A 276 -6.616 1.747 -6.913 1.00 0.00 C ATOM 531 C PRO A 276 -8.003 2.055 -7.505 1.00 0.00 C ATOM 532 O PRO A 276 -8.949 2.249 -6.745 1.00 0.00 O ATOM 533 CB PRO A 276 -5.936 2.970 -6.297 1.00 0.00 C ATOM 534 CG PRO A 276 -4.910 3.390 -7.342 1.00 0.00 C ATOM 535 CD PRO A 276 -4.505 2.070 -7.992 1.00 0.00 C ATOM 0 HA PRO A 276 -6.859 1.003 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.653 3.767 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.461 2.726 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.337 4.081 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.056 3.892 -6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.242 2.215 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.630 1.644 -7.500 1.00 0.00 H new ATOM 543 N SER A 277 -8.169 2.028 -8.832 1.00 0.00 N ATOM 544 CA SER A 277 -9.478 2.121 -9.500 1.00 0.00 C ATOM 545 C SER A 277 -10.264 0.785 -9.483 1.00 0.00 C ATOM 546 O SER A 277 -11.471 0.790 -9.734 1.00 0.00 O ATOM 547 CB SER A 277 -9.275 2.632 -10.941 1.00 0.00 C ATOM 548 OG SER A 277 -10.464 3.154 -11.531 1.00 0.00 O ATOM 0 H SER A 277 -7.389 1.940 -9.484 1.00 0.00 H new ATOM 0 HA SER A 277 -10.090 2.828 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.509 3.407 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.900 1.816 -11.558 1.00 0.00 H new ATOM 0 HG SER A 277 -11.234 2.620 -11.243 1.00 0.00 H new ATOM 554 N VAL A 278 -9.629 -0.350 -9.132 1.00 0.00 N ATOM 555 CA VAL A 278 -10.275 -1.686 -9.038 1.00 0.00 C ATOM 556 C VAL A 278 -10.519 -2.127 -7.581 1.00 0.00 C ATOM 557 O VAL A 278 -10.626 -3.320 -7.294 1.00 0.00 O ATOM 558 CB VAL A 278 -9.568 -2.781 -9.889 1.00 0.00 C ATOM 559 CG1 VAL A 278 -9.499 -2.354 -11.365 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.159 -3.192 -9.428 1.00 0.00 C ATOM 0 H VAL A 278 -8.636 -0.371 -8.901 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.259 -1.563 -9.490 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.194 -3.663 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.002 -3.131 -11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -10.508 -2.205 -11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -8.938 -1.423 -11.449 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -7.767 -3.960 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -7.501 -2.323 -9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.209 -3.585 -8.413 1.00 0.00 H new ATOM 570 N LEU A 279 -10.605 -1.164 -6.649 1.00 0.00 N ATOM 571 CA LEU A 279 -10.741 -1.393 -5.203 1.00 0.00 C ATOM 572 C LEU A 279 -12.008 -0.739 -4.602 1.00 0.00 C ATOM 573 O LEU A 279 -12.504 0.252 -5.151 1.00 0.00 O ATOM 574 CB LEU A 279 -9.464 -0.902 -4.489 1.00 0.00 C ATOM 575 CG LEU A 279 -8.201 -1.716 -4.838 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.973 -1.054 -4.205 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.311 -3.157 -4.311 1.00 0.00 C ATOM 0 H LEU A 279 -10.581 -0.173 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.862 -2.465 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.294 0.143 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.624 -0.942 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.103 -1.741 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.081 -1.630 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.868 -0.039 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.095 -1.021 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.408 -3.709 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.427 -3.140 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.176 -3.644 -4.761 1.00 0.00 H new ATOM 589 N PRO A 280 -12.537 -1.290 -3.488 1.00 0.00 N ATOM 590 CA PRO A 280 -13.751 -0.822 -2.821 1.00 0.00 C ATOM 591 C PRO A 280 -13.507 0.445 -1.994 1.00 0.00 C ATOM 592 O PRO A 280 -12.386 0.712 -1.565 1.00 0.00 O ATOM 593 CB PRO A 280 -14.195 -1.992 -1.934 1.00 0.00 C ATOM 594 CG PRO A 280 -12.896 -2.722 -1.601 1.00 0.00 C ATOM 595 CD PRO A 280 -12.038 -2.494 -2.835 1.00 0.00 C ATOM 0 HA PRO A 280 -14.517 -0.542 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.697 -1.640 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.896 -2.644 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.426 -2.318 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.066 -3.783 -1.420 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.990 -2.376 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.096 -3.349 -3.508 1.00 0.00 H new ATOM 603 N ASP A 281 -14.572 1.206 -1.725 1.00 0.00 N ATOM 604 CA ASP A 281 -14.520 2.395 -0.856 1.00 0.00 C ATOM 605 C ASP A 281 -14.625 2.054 0.641 1.00 0.00 C ATOM 606 O ASP A 281 -14.308 2.891 1.488 1.00 0.00 O ATOM 607 CB ASP A 281 -15.609 3.397 -1.262 1.00 0.00 C ATOM 608 CG ASP A 281 -15.198 4.207 -2.500 1.00 0.00 C ATOM 609 OD1 ASP A 281 -14.276 5.046 -2.364 1.00 0.00 O ATOM 610 OD2 ASP A 281 -15.808 4.025 -3.580 1.00 0.00 O ATOM 0 H ASP A 281 -15.500 1.017 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.539 2.848 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.537 2.863 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -15.808 4.075 -0.432 1.00 0.00 H new ATOM 615 N ASN A 282 -15.002 0.816 0.962 1.00 0.00 N ATOM 616 CA ASN A 282 -15.045 0.254 2.313 1.00 0.00 C ATOM 617 C ASN A 282 -13.844 -0.679 2.583 1.00 0.00 C ATOM 618 O ASN A 282 -13.903 -1.530 3.474 1.00 0.00 O ATOM 619 CB ASN A 282 -16.402 -0.450 2.503 1.00 0.00 C ATOM 620 CG ASN A 282 -17.569 0.533 2.504 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.072 0.945 1.465 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.037 0.932 3.674 1.00 0.00 N ATOM 0 H ASN A 282 -15.300 0.146 0.253 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.958 1.053 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.545 -1.180 1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.394 -1.002 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.819 1.585 3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.616 0.587 4.536 1.00 0.00 H new ATOM 629 N TRP A 283 -12.755 -0.540 1.812 1.00 0.00 N ATOM 630 CA TRP A 283 -11.502 -1.276 2.008 1.00 0.00 C ATOM 631 C TRP A 283 -10.947 -1.107 3.434 1.00 0.00 C ATOM 632 O TRP A 283 -10.882 0.005 3.951 1.00 0.00 O ATOM 633 CB TRP A 283 -10.466 -0.823 0.972 1.00 0.00 C ATOM 634 CG TRP A 283 -9.272 -1.718 0.932 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.099 -2.760 0.089 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.133 -1.736 1.844 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.948 -3.442 0.434 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.333 -2.872 1.530 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.724 -0.939 2.939 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.200 -3.207 2.280 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.593 -1.270 3.701 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.842 -2.408 3.374 1.00 0.00 C ATOM 0 H TRP A 283 -12.723 0.101 1.019 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.714 -2.336 1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.930 -0.796 -0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.147 0.194 1.202 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.758 -3.019 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.597 -4.263 -0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.294 -0.058 3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.608 -4.072 2.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.302 -0.650 4.536 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.981 -2.671 3.970 1.00 0.00 H new ATOM 653 N SER A 284 -10.498 -2.191 4.056 1.00 0.00 N ATOM 654 CA SER A 284 -9.943 -2.223 5.416 1.00 0.00 C ATOM 655 C SER A 284 -8.763 -3.199 5.496 1.00 0.00 C ATOM 656 O SER A 284 -8.542 -3.977 4.565 1.00 0.00 O ATOM 657 CB SER A 284 -11.037 -2.633 6.416 1.00 0.00 C ATOM 658 OG SER A 284 -11.522 -3.950 6.163 1.00 0.00 O ATOM 0 H SER A 284 -10.508 -3.111 3.615 1.00 0.00 H new ATOM 0 HA SER A 284 -9.581 -1.226 5.668 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.640 -2.581 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.864 -1.925 6.360 1.00 0.00 H new ATOM 0 HG SER A 284 -12.214 -4.175 6.819 1.00 0.00 H new ATOM 664 N CYS A 285 -8.028 -3.208 6.614 1.00 0.00 N ATOM 665 CA CYS A 285 -6.926 -4.154 6.835 1.00 0.00 C ATOM 666 C CYS A 285 -7.348 -5.630 6.604 1.00 0.00 C ATOM 667 O CYS A 285 -6.544 -6.442 6.151 1.00 0.00 O ATOM 668 CB CYS A 285 -6.368 -4.009 8.262 1.00 0.00 C ATOM 669 SG CYS A 285 -5.793 -2.336 8.663 1.00 0.00 S ATOM 0 H CYS A 285 -8.179 -2.562 7.389 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.157 -3.906 6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.141 -4.297 8.974 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.541 -4.707 8.390 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.782 -1.499 8.552 1.00 0.00 H new ATOM 674 N ASP A 286 -8.615 -5.979 6.865 1.00 0.00 N ATOM 675 CA ASP A 286 -9.191 -7.314 6.629 1.00 0.00 C ATOM 676 C ASP A 286 -9.278 -7.699 5.133 1.00 0.00 C ATOM 677 O ASP A 286 -9.464 -8.869 4.797 1.00 0.00 O ATOM 678 CB ASP A 286 -10.574 -7.361 7.299 1.00 0.00 C ATOM 679 CG ASP A 286 -11.204 -8.765 7.290 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.680 -9.665 7.991 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.245 -8.953 6.617 1.00 0.00 O ATOM 0 H ASP A 286 -9.289 -5.322 7.258 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.523 -8.055 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.483 -7.017 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.242 -6.667 6.789 1.00 0.00 H new ATOM 686 N GLN A 287 -9.107 -6.727 4.233 1.00 0.00 N ATOM 687 CA GLN A 287 -9.139 -6.868 2.774 1.00 0.00 C ATOM 688 C GLN A 287 -7.724 -6.791 2.155 1.00 0.00 C ATOM 689 O GLN A 287 -7.579 -6.657 0.938 1.00 0.00 O ATOM 690 CB GLN A 287 -10.104 -5.804 2.213 1.00 0.00 C ATOM 691 CG GLN A 287 -11.563 -6.112 2.591 1.00 0.00 C ATOM 692 CD GLN A 287 -12.486 -4.909 2.425 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.958 -4.590 1.342 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.771 -4.185 3.489 1.00 0.00 N ATOM 0 H GLN A 287 -8.932 -5.764 4.520 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.507 -7.857 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.827 -4.822 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.009 -5.761 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.928 -6.932 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.601 -6.452 3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.384 -4.440 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.378 -3.370 3.404 1.00 0.00 H new ATOM 703 N ASN A 288 -6.669 -6.888 2.974 1.00 0.00 N ATOM 704 CA ASN A 288 -5.275 -6.864 2.525 1.00 0.00 C ATOM 705 C ASN A 288 -4.836 -8.145 1.794 1.00 0.00 C ATOM 706 O ASN A 288 -5.305 -9.249 2.098 1.00 0.00 O ATOM 707 CB ASN A 288 -4.349 -6.590 3.722 1.00 0.00 C ATOM 708 CG ASN A 288 -2.984 -6.077 3.280 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.874 -5.236 2.398 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.903 -6.593 3.831 1.00 0.00 N ATOM 0 H ASN A 288 -6.764 -6.987 3.985 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.198 -6.060 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.815 -5.858 4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.223 -7.505 4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.979 -6.291 3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.991 -7.294 4.567 1.00 0.00 H new ATOM 717 N THR A 289 -3.881 -7.995 0.867 1.00 0.00 N ATOM 718 CA THR A 289 -3.243 -9.098 0.132 1.00 0.00 C ATOM 719 C THR A 289 -2.158 -9.810 0.935 1.00 0.00 C ATOM 720 O THR A 289 -1.862 -10.967 0.640 1.00 0.00 O ATOM 721 CB THR A 289 -2.652 -8.595 -1.188 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.807 -7.493 -0.929 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.740 -8.145 -2.161 1.00 0.00 C ATOM 0 H THR A 289 -3.520 -7.079 0.599 1.00 0.00 H new ATOM 0 HA THR A 289 -4.031 -9.825 -0.063 1.00 0.00 H new ATOM 0 HB THR A 289 -2.100 -9.419 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.425 -7.169 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.280 -7.795 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.402 -8.983 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.316 -7.335 -1.713 1.00 0.00 H new ATOM 731 N ASP A 290 -1.590 -9.162 1.957 1.00 0.00 N ATOM 732 CA ASP A 290 -0.496 -9.703 2.772 1.00 0.00 C ATOM 733 C ASP A 290 -0.965 -10.129 4.170 1.00 0.00 C ATOM 734 O ASP A 290 -1.454 -9.306 4.948 1.00 0.00 O ATOM 735 CB ASP A 290 0.647 -8.677 2.902 1.00 0.00 C ATOM 736 CG ASP A 290 2.034 -9.337 2.901 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.130 -10.560 3.158 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.033 -8.615 2.681 1.00 0.00 O ATOM 0 H ASP A 290 -1.883 -8.229 2.247 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.133 -10.591 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.587 -7.965 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.519 -8.110 3.824 1.00 0.00 H new ATOM 743 N VAL A 291 -0.768 -11.404 4.508 1.00 0.00 N ATOM 744 CA VAL A 291 -1.241 -12.013 5.770 1.00 0.00 C ATOM 745 C VAL A 291 -0.512 -11.485 7.014 1.00 0.00 C ATOM 746 O VAL A 291 -1.026 -11.600 8.124 1.00 0.00 O ATOM 747 CB VAL A 291 -1.150 -13.557 5.756 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.984 -14.135 4.605 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.302 -14.063 5.654 1.00 0.00 C ATOM 0 H VAL A 291 -0.268 -12.060 3.908 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.288 -11.715 5.834 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.551 -13.903 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.908 -15.222 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.027 -13.843 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.610 -13.750 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.308 -15.153 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.752 -13.693 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.874 -13.702 6.509 1.00 0.00 H new ATOM 759 N GLN A 292 0.670 -10.888 6.830 1.00 0.00 N ATOM 760 CA GLN A 292 1.437 -10.265 7.913 1.00 0.00 C ATOM 761 C GLN A 292 0.849 -8.935 8.401 1.00 0.00 C ATOM 762 O GLN A 292 1.202 -8.487 9.488 1.00 0.00 O ATOM 763 CB GLN A 292 2.922 -10.125 7.547 1.00 0.00 C ATOM 764 CG GLN A 292 3.251 -9.836 6.077 1.00 0.00 C ATOM 765 CD GLN A 292 4.697 -9.372 5.845 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.584 -9.513 6.679 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.001 -8.797 4.700 1.00 0.00 N ATOM 0 H GLN A 292 1.124 -10.823 5.919 1.00 0.00 H new ATOM 0 HA GLN A 292 1.360 -10.949 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.347 -9.325 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.430 -11.046 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.070 -10.736 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.570 -9.071 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 292 4.282 -8.667 3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.955 -8.482 4.525 1.00 0.00 H new ATOM 776 N TYR A 293 -0.072 -8.332 7.642 1.00 0.00 N ATOM 777 CA TYR A 293 -0.740 -7.066 7.983 1.00 0.00 C ATOM 778 C TYR A 293 -2.243 -7.069 7.624 1.00 0.00 C ATOM 779 O TYR A 293 -2.835 -6.024 7.354 1.00 0.00 O ATOM 780 CB TYR A 293 0.024 -5.883 7.365 1.00 0.00 C ATOM 781 CG TYR A 293 1.458 -5.722 7.843 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.517 -6.403 7.211 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.731 -4.889 8.943 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.838 -6.246 7.668 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.048 -4.719 9.402 1.00 0.00 C ATOM 786 CZ TYR A 293 4.111 -5.397 8.764 1.00 0.00 C ATOM 787 OH TYR A 293 5.388 -5.233 9.210 1.00 0.00 O ATOM 0 H TYR A 293 -0.383 -8.718 6.751 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.713 -6.950 9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.029 -6.000 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.521 -4.965 7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.313 -7.050 6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.921 -4.375 9.439 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.644 -6.775 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.248 -4.070 10.242 1.00 0.00 H new ATOM 0 HH TYR A 293 5.392 -4.614 9.970 1.00 0.00 H new ATOM 797 N ASN A 294 -2.875 -8.250 7.629 1.00 0.00 N ATOM 798 CA ASN A 294 -4.281 -8.444 7.243 1.00 0.00 C ATOM 799 C ASN A 294 -5.302 -8.206 8.382 1.00 0.00 C ATOM 800 O ASN A 294 -6.437 -8.688 8.315 1.00 0.00 O ATOM 801 CB ASN A 294 -4.464 -9.808 6.556 1.00 0.00 C ATOM 802 CG ASN A 294 -4.449 -11.008 7.507 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.079 -10.921 8.673 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.861 -12.169 7.032 1.00 0.00 N ATOM 0 H ASN A 294 -2.414 -9.116 7.907 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.513 -7.659 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.409 -9.803 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.673 -9.937 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.871 -12.992 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.169 -12.243 6.062 1.00 0.00 H new ATOM 811 N ARG A 295 -4.897 -7.496 9.444 1.00 0.00 N ATOM 812 CA ARG A 295 -5.719 -7.182 10.619 1.00 0.00 C ATOM 813 C ARG A 295 -5.460 -5.772 11.140 1.00 0.00 C ATOM 814 O ARG A 295 -4.315 -5.351 11.289 1.00 0.00 O ATOM 815 CB ARG A 295 -5.407 -8.170 11.752 1.00 0.00 C ATOM 816 CG ARG A 295 -6.308 -9.405 11.732 1.00 0.00 C ATOM 817 CD ARG A 295 -5.874 -10.349 12.858 1.00 0.00 C ATOM 818 NE ARG A 295 -6.811 -11.472 13.020 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.757 -12.409 13.961 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.808 -12.428 14.876 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.670 -13.354 13.995 1.00 0.00 N ATOM 0 H ARG A 295 -3.955 -7.111 9.510 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.761 -7.257 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.366 -8.485 11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.517 -7.662 12.710 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.350 -9.114 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.237 -9.909 10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.877 -10.735 12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.807 -9.793 13.793 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.574 -11.538 12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.085 -11.708 14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.797 -13.162 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.417 -13.367 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.631 -14.075 14.716 1.00 0.00 H new ATOM 835 N CYS A 296 -6.534 -5.101 11.543 1.00 0.00 N ATOM 836 CA CYS A 296 -6.545 -3.780 12.166 1.00 0.00 C ATOM 837 C CYS A 296 -5.798 -3.673 13.513 1.00 0.00 C ATOM 838 O CYS A 296 -5.446 -2.575 13.947 1.00 0.00 O ATOM 839 CB CYS A 296 -8.020 -3.432 12.355 1.00 0.00 C ATOM 840 SG CYS A 296 -8.696 -2.751 10.820 1.00 0.00 S ATOM 0 H CYS A 296 -7.473 -5.485 11.438 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.005 -3.089 11.518 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.578 -4.322 12.645 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.131 -2.709 13.163 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.724 -2.481 10.000 1.00 0.00 H new ATOM 845 N ASP A 297 -5.530 -4.810 14.153 1.00 0.00 N ATOM 846 CA ASP A 297 -4.838 -4.907 15.440 1.00 0.00 C ATOM 847 C ASP A 297 -3.318 -5.066 15.244 1.00 0.00 C ATOM 848 O ASP A 297 -2.556 -5.125 16.209 1.00 0.00 O ATOM 849 CB ASP A 297 -5.480 -6.065 16.214 1.00 0.00 C ATOM 850 CG ASP A 297 -5.021 -6.146 17.681 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.258 -5.176 18.442 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.465 -7.197 18.081 1.00 0.00 O ATOM 0 H ASP A 297 -5.797 -5.720 13.778 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.948 -3.991 16.020 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.564 -5.955 16.185 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.242 -7.004 15.714 1.00 0.00 H new ATOM 857 N ILE A 298 -2.874 -5.103 13.981 1.00 0.00 N ATOM 858 CA ILE A 298 -1.468 -5.172 13.588 1.00 0.00 C ATOM 859 C ILE A 298 -0.971 -3.750 13.282 1.00 0.00 C ATOM 860 O ILE A 298 -1.640 -3.032 12.528 1.00 0.00 O ATOM 861 CB ILE A 298 -1.259 -6.112 12.381 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.842 -7.502 12.710 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.235 -6.207 12.044 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.654 -8.559 11.615 1.00 0.00 C ATOM 0 H ILE A 298 -3.507 -5.085 13.182 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.887 -5.591 14.409 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.777 -5.714 11.509 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.380 -7.865 13.628 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.908 -7.394 12.911 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.374 -6.872 11.192 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.616 -5.216 11.797 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.778 -6.601 12.904 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.096 -9.501 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.142 -8.225 10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.590 -8.703 11.428 1.00 0.00 H new ATOM 876 N PRO A 299 0.195 -3.355 13.821 1.00 0.00 N ATOM 877 CA PRO A 299 0.768 -2.029 13.638 1.00 0.00 C ATOM 878 C PRO A 299 1.112 -1.734 12.174 1.00 0.00 C ATOM 879 O PRO A 299 1.237 -2.638 11.350 1.00 0.00 O ATOM 880 CB PRO A 299 2.010 -2.006 14.533 1.00 0.00 C ATOM 881 CG PRO A 299 2.414 -3.470 14.675 1.00 0.00 C ATOM 882 CD PRO A 299 1.070 -4.187 14.634 1.00 0.00 C ATOM 0 HA PRO A 299 0.056 -1.250 13.910 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.810 -1.416 14.085 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.791 -1.560 15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.070 -3.791 13.866 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.945 -3.656 15.608 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.172 -5.183 14.203 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.665 -4.314 15.638 1.00 0.00 H new ATOM 890 N GLU A 300 1.256 -0.448 11.855 1.00 0.00 N ATOM 891 CA GLU A 300 1.638 0.042 10.530 1.00 0.00 C ATOM 892 C GLU A 300 3.108 -0.338 10.207 1.00 0.00 C ATOM 893 O GLU A 300 3.962 -0.413 11.097 1.00 0.00 O ATOM 894 CB GLU A 300 1.351 1.559 10.503 1.00 0.00 C ATOM 895 CG GLU A 300 0.749 2.083 9.199 1.00 0.00 C ATOM 896 CD GLU A 300 1.774 2.194 8.069 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.999 1.169 7.391 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.322 3.301 7.859 1.00 0.00 O ATOM 0 H GLU A 300 1.106 0.303 12.529 1.00 0.00 H new ATOM 0 HA GLU A 300 1.055 -0.427 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.671 1.799 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.282 2.092 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 300 -0.058 1.421 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.306 3.063 9.378 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.145 5.936 1.085 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.019 6.664 0.474 1.00 0.00 C ATOM 1029 C ARG B 2 -7.001 5.705 -0.148 1.00 0.00 C ATOM 1030 O ARG B 2 -6.775 4.594 0.344 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.312 7.599 1.468 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.922 9.006 1.467 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.129 9.923 2.403 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.614 11.313 2.335 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.059 12.363 2.930 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -5.996 12.248 3.701 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -7.573 13.561 2.754 1.00 0.00 N ATOM 0 HA ARG B 2 -8.453 7.280 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.376 7.177 2.471 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.253 7.663 1.216 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.916 9.413 0.456 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.963 8.960 1.786 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.210 9.558 3.427 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.073 9.892 2.136 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.453 11.484 1.780 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.575 11.332 3.856 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.595 13.075 4.143 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.395 13.681 2.162 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.150 14.370 3.209 1.00 0.00 H new ATOM 1051 N THR B 3 -6.368 6.184 -1.218 1.00 0.00 N ATOM 1052 CA THR B 3 -5.398 5.470 -2.055 1.00 0.00 C ATOM 1053 C THR B 3 -4.302 6.426 -2.499 1.00 0.00 C ATOM 1054 O THR B 3 -4.535 7.621 -2.692 1.00 0.00 O ATOM 1055 CB THR B 3 -6.065 4.833 -3.284 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.947 5.735 -3.917 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.832 3.563 -2.920 1.00 0.00 C ATOM 0 H THR B 3 -6.526 7.137 -1.545 1.00 0.00 H new ATOM 0 HA THR B 3 -4.968 4.666 -1.457 1.00 0.00 H new ATOM 0 HB THR B 3 -5.259 4.574 -3.970 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.354 5.302 -4.696 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.288 3.144 -3.817 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.146 2.835 -2.488 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.610 3.803 -2.195 1.00 0.00 H new