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= 0.455 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.927 K(o=1.4,f=0.85) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.1 USER MOD Set 2.2: A 264 CYS SG : rot 148:sc= 2.27 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 148:sc= 1.32 (180deg=-0.144) USER MOD Set 2.4: A 285 CYS SG : rot 60:sc= 2.92 USER MOD Set 2.5: A 296 CYS SG : rot -8:sc= 1.34 USER MOD Single : A 258 GLN : amide:sc= 0.712 K(o=0.71,f=-0.77) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.099 K(o=-0.099,f=-0.8) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.53) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 292 GLN : amide:sc= 1.16 K(o=1.2,f=-0.24) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.99) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.582 0.545 -5.051 1.00 0.00 N ATOM 195 CA VAL A 255 0.245 1.034 -4.677 1.00 0.00 C ATOM 196 C VAL A 255 0.026 0.784 -3.184 1.00 0.00 C ATOM 197 O VAL A 255 0.290 -0.312 -2.686 1.00 0.00 O ATOM 198 CB VAL A 255 -0.875 0.360 -5.512 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.256 0.981 -5.223 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.597 0.460 -7.025 1.00 0.00 C ATOM 0 HA VAL A 255 0.196 2.102 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.883 -0.689 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.013 0.482 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.496 0.859 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.237 2.042 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.404 -0.024 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.537 1.509 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.347 -0.035 -7.255 1.00 0.00 H new ATOM 210 N TRP A 256 -0.474 1.806 -2.486 1.00 0.00 N ATOM 211 CA TRP A 256 -0.803 1.768 -1.061 1.00 0.00 C ATOM 212 C TRP A 256 -2.291 2.088 -0.840 1.00 0.00 C ATOM 213 O TRP A 256 -2.842 2.999 -1.463 1.00 0.00 O ATOM 214 CB TRP A 256 0.071 2.775 -0.300 1.00 0.00 C ATOM 215 CG TRP A 256 1.531 2.486 -0.173 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.488 2.866 -1.049 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.233 1.809 0.916 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.725 2.484 -0.573 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.630 1.816 0.626 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.832 1.189 2.118 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.580 1.225 1.471 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.773 0.564 2.959 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.143 0.582 2.641 1.00 0.00 C ATOM 0 H TRP A 256 -0.667 2.712 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.608 0.764 -0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.036 3.744 -0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.337 2.877 0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.311 3.388 -1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.605 2.674 -1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.789 1.194 2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.631 1.264 1.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.439 0.066 3.857 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.857 0.103 3.294 1.00 0.00 H new ATOM 234 N VAL A 257 -2.918 1.364 0.088 1.00 0.00 N ATOM 235 CA VAL A 257 -4.351 1.471 0.437 1.00 0.00 C ATOM 236 C VAL A 257 -4.526 1.823 1.909 1.00 0.00 C ATOM 237 O VAL A 257 -3.905 1.195 2.765 1.00 0.00 O ATOM 238 CB VAL A 257 -5.120 0.159 0.159 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.612 0.113 -1.284 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.297 -1.107 0.452 1.00 0.00 C ATOM 0 H VAL A 257 -2.432 0.659 0.642 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.760 2.261 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.967 0.164 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.150 -0.819 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.278 0.956 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.760 0.170 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.898 -1.990 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.404 -1.113 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.005 -1.116 1.502 1.00 0.00 H new ATOM 250 N GLN A 258 -5.369 2.819 2.200 1.00 0.00 N ATOM 251 CA GLN A 258 -5.670 3.257 3.562 1.00 0.00 C ATOM 252 C GLN A 258 -6.943 2.586 4.090 1.00 0.00 C ATOM 253 O GLN A 258 -7.987 2.605 3.431 1.00 0.00 O ATOM 254 CB GLN A 258 -5.788 4.786 3.624 1.00 0.00 C ATOM 255 CG GLN A 258 -5.827 5.301 5.073 1.00 0.00 C ATOM 256 CD GLN A 258 -5.717 6.824 5.173 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.337 7.581 4.437 1.00 0.00 O ATOM 258 NE2 GLN A 258 -4.930 7.336 6.098 1.00 0.00 N ATOM 0 H GLN A 258 -5.867 3.349 1.485 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.845 2.952 4.205 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.944 5.237 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.691 5.102 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.757 4.978 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.012 4.846 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.406 6.720 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.845 8.348 6.192 1.00 0.00 H new ATOM 267 N CYS A 259 -6.846 2.038 5.304 1.00 0.00 N ATOM 268 CA CYS A 259 -7.941 1.420 6.045 1.00 0.00 C ATOM 269 C CYS A 259 -9.162 2.359 6.203 1.00 0.00 C ATOM 270 O CYS A 259 -9.024 3.555 6.480 1.00 0.00 O ATOM 271 CB CYS A 259 -7.373 1.004 7.407 1.00 0.00 C ATOM 272 SG CYS A 259 -8.522 -0.130 8.229 1.00 0.00 S ATOM 0 H CYS A 259 -5.964 2.013 5.816 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.319 0.557 5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.404 0.523 7.276 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.210 1.885 8.028 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.092 -0.389 9.428 1.00 0.00 H new ATOM 277 N SER A 260 -10.366 1.816 6.034 1.00 0.00 N ATOM 278 CA SER A 260 -11.638 2.547 6.149 1.00 0.00 C ATOM 279 C SER A 260 -11.954 3.046 7.569 1.00 0.00 C ATOM 280 O SER A 260 -12.695 4.024 7.719 1.00 0.00 O ATOM 281 CB SER A 260 -12.808 1.688 5.642 1.00 0.00 C ATOM 282 OG SER A 260 -12.897 0.448 6.335 1.00 0.00 O ATOM 0 H SER A 260 -10.493 0.830 5.807 1.00 0.00 H new ATOM 0 HA SER A 260 -11.514 3.432 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.741 2.239 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.684 1.500 4.576 1.00 0.00 H new ATOM 0 HG SER A 260 -13.653 -0.068 5.986 1.00 0.00 H new ATOM 288 N PHE A 261 -11.390 2.426 8.615 1.00 0.00 N ATOM 289 CA PHE A 261 -11.603 2.845 9.999 1.00 0.00 C ATOM 290 C PHE A 261 -10.747 4.068 10.372 1.00 0.00 C ATOM 291 O PHE A 261 -9.542 4.079 10.098 1.00 0.00 O ATOM 292 CB PHE A 261 -11.343 1.682 10.958 1.00 0.00 C ATOM 293 CG PHE A 261 -12.321 0.535 10.833 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.631 0.670 11.329 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.915 -0.676 10.242 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.534 -0.405 11.228 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.813 -1.753 10.153 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.125 -1.617 10.640 1.00 0.00 C ATOM 0 H PHE A 261 -10.773 1.619 8.520 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.646 3.147 10.092 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.335 1.304 10.786 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.372 2.058 11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -13.943 1.597 11.787 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.911 -0.778 9.856 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.542 -0.300 11.602 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.495 -2.686 9.710 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.818 -2.442 10.563 1.00 0.00 H new ATOM 308 N PRO A 262 -11.337 5.067 11.055 1.00 0.00 N ATOM 309 CA PRO A 262 -10.652 6.282 11.480 1.00 0.00 C ATOM 310 C PRO A 262 -9.656 6.023 12.616 1.00 0.00 C ATOM 311 O PRO A 262 -8.620 6.679 12.696 1.00 0.00 O ATOM 312 CB PRO A 262 -11.779 7.215 11.931 1.00 0.00 C ATOM 313 CG PRO A 262 -12.875 6.278 12.431 1.00 0.00 C ATOM 314 CD PRO A 262 -12.725 5.078 11.503 1.00 0.00 C ATOM 0 HA PRO A 262 -10.051 6.707 10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.444 7.890 12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.133 7.836 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.730 6.004 13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.864 6.731 12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -12.971 4.153 12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.405 5.157 10.655 1.00 0.00 H new ATOM 322 N ASN A 263 -9.941 5.025 13.463 1.00 0.00 N ATOM 323 CA ASN A 263 -9.044 4.543 14.523 1.00 0.00 C ATOM 324 C ASN A 263 -7.861 3.693 13.997 1.00 0.00 C ATOM 325 O ASN A 263 -6.945 3.375 14.761 1.00 0.00 O ATOM 326 CB ASN A 263 -9.877 3.794 15.578 1.00 0.00 C ATOM 327 CG ASN A 263 -10.599 2.571 15.017 1.00 0.00 C ATOM 328 OD1 ASN A 263 -9.989 1.591 14.612 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.919 2.600 14.957 1.00 0.00 N ATOM 0 H ASN A 263 -10.825 4.517 13.429 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.569 5.410 14.983 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.223 3.480 16.392 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.611 4.478 16.004 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.430 1.805 14.573 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.427 3.417 15.295 1.00 0.00 H new ATOM 336 N CYS A 264 -7.863 3.364 12.697 1.00 0.00 N ATOM 337 CA CYS A 264 -6.767 2.719 11.977 1.00 0.00 C ATOM 338 C CYS A 264 -6.014 3.785 11.168 1.00 0.00 C ATOM 339 O CYS A 264 -4.959 4.266 11.593 1.00 0.00 O ATOM 340 CB CYS A 264 -7.341 1.595 11.098 1.00 0.00 C ATOM 341 SG CYS A 264 -6.329 0.095 11.131 1.00 0.00 S ATOM 0 H CYS A 264 -8.666 3.551 12.097 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.052 2.262 12.661 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.349 1.355 11.435 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.424 1.950 10.071 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.094 -0.948 10.999 1.00 0.00 H new ATOM 346 N GLY A 265 -6.558 4.146 9.995 1.00 0.00 N ATOM 347 CA GLY A 265 -5.936 5.043 9.029 1.00 0.00 C ATOM 348 C GLY A 265 -4.621 4.501 8.463 1.00 0.00 C ATOM 349 O GLY A 265 -3.860 5.260 7.862 1.00 0.00 O ATOM 0 H GLY A 265 -7.471 3.807 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.631 5.221 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.750 6.006 9.504 1.00 0.00 H new ATOM 353 N LYS A 266 -4.344 3.209 8.661 1.00 0.00 N ATOM 354 CA LYS A 266 -3.090 2.561 8.282 1.00 0.00 C ATOM 355 C LYS A 266 -2.986 2.356 6.773 1.00 0.00 C ATOM 356 O LYS A 266 -3.974 2.003 6.126 1.00 0.00 O ATOM 357 CB LYS A 266 -2.966 1.207 8.985 1.00 0.00 C ATOM 358 CG LYS A 266 -2.824 1.338 10.496 1.00 0.00 C ATOM 359 CD LYS A 266 -2.681 -0.074 11.057 1.00 0.00 C ATOM 360 CE LYS A 266 -2.644 -0.063 12.577 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.955 0.330 13.165 1.00 0.00 N ATOM 0 H LYS A 266 -5.005 2.570 9.102 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.279 3.220 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.845 0.603 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.102 0.674 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -1.954 1.943 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.695 1.836 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.513 -0.689 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.769 -0.530 10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.366 -1.053 12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.873 0.629 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.089 -0.159 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.972 1.358 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.721 0.066 12.513 1.00 0.00 H new ATOM 375 N TRP A 267 -1.781 2.499 6.227 1.00 0.00 N ATOM 376 CA TRP A 267 -1.480 2.202 4.831 1.00 0.00 C ATOM 377 C TRP A 267 -0.845 0.811 4.714 1.00 0.00 C ATOM 378 O TRP A 267 0.155 0.522 5.375 1.00 0.00 O ATOM 379 CB TRP A 267 -0.590 3.307 4.248 1.00 0.00 C ATOM 380 CG TRP A 267 -1.217 4.667 4.193 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.184 5.587 5.182 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.984 5.280 3.112 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.841 6.733 4.778 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.350 6.603 3.503 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.413 4.848 1.840 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.075 7.461 2.662 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.157 5.692 0.995 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.473 7.002 1.395 1.00 0.00 C ATOM 0 H TRP A 267 -0.972 2.831 6.753 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.400 2.182 4.246 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.322 3.368 4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.295 3.019 3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.714 5.447 6.144 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -1.938 7.571 5.351 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.166 3.850 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.324 8.461 2.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.488 5.331 0.032 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.020 7.654 0.730 1.00 0.00 H new ATOM 399 N ARG A 268 -1.427 -0.044 3.864 1.00 0.00 N ATOM 400 CA ARG A 268 -0.907 -1.376 3.527 1.00 0.00 C ATOM 401 C ARG A 268 -0.490 -1.416 2.049 1.00 0.00 C ATOM 402 O ARG A 268 -1.093 -0.730 1.213 1.00 0.00 O ATOM 403 CB ARG A 268 -1.956 -2.469 3.812 1.00 0.00 C ATOM 404 CG ARG A 268 -2.665 -2.416 5.179 1.00 0.00 C ATOM 405 CD ARG A 268 -1.745 -2.453 6.399 1.00 0.00 C ATOM 406 NE ARG A 268 -2.542 -2.625 7.624 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.085 -2.789 8.854 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.822 -2.621 9.175 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.922 -3.115 9.801 1.00 0.00 N ATOM 0 H ARG A 268 -2.296 0.177 3.378 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.036 -1.572 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.717 -2.420 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.468 -3.439 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.263 -1.505 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.358 -3.255 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.031 -3.271 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.167 -1.531 6.457 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.556 -2.617 7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.146 -2.352 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.518 -2.759 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.911 -3.239 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.587 -3.246 10.755 1.00 0.00 H new ATOM 423 N ARG A 269 0.538 -2.215 1.745 1.00 0.00 N ATOM 424 CA ARG A 269 1.040 -2.470 0.384 1.00 0.00 C ATOM 425 C ARG A 269 0.125 -3.437 -0.373 1.00 0.00 C ATOM 426 O ARG A 269 -0.465 -4.333 0.230 1.00 0.00 O ATOM 427 CB ARG A 269 2.441 -3.105 0.433 1.00 0.00 C ATOM 428 CG ARG A 269 3.507 -2.206 1.051 1.00 0.00 C ATOM 429 CD ARG A 269 4.866 -2.911 1.172 1.00 0.00 C ATOM 430 NE ARG A 269 4.832 -3.958 2.214 1.00 0.00 N ATOM 431 CZ ARG A 269 5.697 -4.110 3.211 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.849 -3.482 3.266 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.416 -4.898 4.222 1.00 0.00 N ATOM 0 H ARG A 269 1.063 -2.720 2.460 1.00 0.00 H new ATOM 0 HA ARG A 269 1.071 -1.507 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.388 -4.033 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.745 -3.369 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 269 3.619 -1.308 0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.179 -1.883 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.135 -3.356 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.638 -2.180 1.412 1.00 0.00 H new ATOM 0 HE ARG A 269 4.068 -4.632 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 269 7.116 -2.841 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 269 7.476 -3.636 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 269 4.528 -5.399 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.086 -5.009 4.983 1.00 0.00 H new ATOM 447 N LEU A 270 0.094 -3.298 -1.698 1.00 0.00 N ATOM 448 CA LEU A 270 -0.535 -4.238 -2.638 1.00 0.00 C ATOM 449 C LEU A 270 0.499 -4.835 -3.610 1.00 0.00 C ATOM 450 O LEU A 270 1.669 -4.447 -3.612 1.00 0.00 O ATOM 451 CB LEU A 270 -1.669 -3.522 -3.401 1.00 0.00 C ATOM 452 CG LEU A 270 -2.829 -2.990 -2.540 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.885 -2.409 -3.487 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.481 -4.064 -1.652 1.00 0.00 C ATOM 0 H LEU A 270 0.521 -2.500 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.958 -5.069 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.238 -2.686 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.077 -4.213 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.423 -2.239 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.722 -2.023 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.445 -1.600 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.240 -3.190 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.290 -3.617 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.881 -4.861 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.735 -4.476 -0.973 1.00 0.00 H new ATOM 529 N PRO A 276 -5.988 0.920 -8.134 1.00 0.00 N ATOM 530 CA PRO A 276 -6.841 1.526 -7.120 1.00 0.00 C ATOM 531 C PRO A 276 -8.248 1.900 -7.614 1.00 0.00 C ATOM 532 O PRO A 276 -9.150 2.043 -6.791 1.00 0.00 O ATOM 533 CB PRO A 276 -6.057 2.722 -6.576 1.00 0.00 C ATOM 534 CG PRO A 276 -5.083 3.077 -7.694 1.00 0.00 C ATOM 535 CD PRO A 276 -4.798 1.728 -8.347 1.00 0.00 C ATOM 0 HA PRO A 276 -7.058 0.803 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.717 3.558 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.530 2.467 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.520 3.782 -8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.174 3.537 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.591 1.845 -9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.922 1.257 -7.902 1.00 0.00 H new ATOM 543 N SER A 277 -8.490 1.979 -8.928 1.00 0.00 N ATOM 544 CA SER A 277 -9.823 2.199 -9.501 1.00 0.00 C ATOM 545 C SER A 277 -10.682 0.916 -9.586 1.00 0.00 C ATOM 546 O SER A 277 -11.850 1.008 -9.973 1.00 0.00 O ATOM 547 CB SER A 277 -9.696 2.858 -10.885 1.00 0.00 C ATOM 548 OG SER A 277 -9.049 4.129 -10.834 1.00 0.00 O ATOM 0 H SER A 277 -7.757 1.891 -9.631 1.00 0.00 H new ATOM 0 HA SER A 277 -10.350 2.866 -8.818 1.00 0.00 H new ATOM 0 HB2 SER A 277 -9.137 2.197 -11.547 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.689 2.978 -11.318 1.00 0.00 H new ATOM 0 HG SER A 277 -8.992 4.504 -11.738 1.00 0.00 H new ATOM 554 N VAL A 278 -10.156 -0.261 -9.198 1.00 0.00 N ATOM 555 CA VAL A 278 -10.928 -1.525 -9.078 1.00 0.00 C ATOM 556 C VAL A 278 -11.004 -2.047 -7.627 1.00 0.00 C ATOM 557 O VAL A 278 -11.236 -3.236 -7.401 1.00 0.00 O ATOM 558 CB VAL A 278 -10.487 -2.619 -10.088 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.604 -2.118 -11.538 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.071 -3.173 -9.858 1.00 0.00 C ATOM 0 H VAL A 278 -9.171 -0.368 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.948 -1.265 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.178 -3.444 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.288 -2.906 -12.222 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.639 -1.849 -11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.967 -1.244 -11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.850 -3.931 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.346 -2.363 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.012 -3.619 -8.865 1.00 0.00 H new ATOM 570 N LEU A 279 -10.826 -1.160 -6.638 1.00 0.00 N ATOM 571 CA LEU A 279 -10.907 -1.469 -5.200 1.00 0.00 C ATOM 572 C LEU A 279 -12.161 -0.857 -4.536 1.00 0.00 C ATOM 573 O LEU A 279 -12.677 0.157 -5.021 1.00 0.00 O ATOM 574 CB LEU A 279 -9.615 -0.998 -4.505 1.00 0.00 C ATOM 575 CG LEU A 279 -8.364 -1.800 -4.917 1.00 0.00 C ATOM 576 CD1 LEU A 279 -7.120 -1.148 -4.312 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.444 -3.253 -4.417 1.00 0.00 C ATOM 0 H LEU A 279 -10.615 -0.179 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 279 -11.004 -2.549 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.453 0.055 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.745 -1.073 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.309 -1.802 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.235 -1.714 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -7.032 -0.124 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.205 -1.140 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.548 -3.793 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.518 -3.260 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.323 -3.737 -4.844 1.00 0.00 H new ATOM 589 N PRO A 280 -12.659 -1.470 -3.439 1.00 0.00 N ATOM 590 CA PRO A 280 -13.887 -1.067 -2.760 1.00 0.00 C ATOM 591 C PRO A 280 -13.707 0.234 -1.971 1.00 0.00 C ATOM 592 O PRO A 280 -12.644 0.501 -1.415 1.00 0.00 O ATOM 593 CB PRO A 280 -14.248 -2.240 -1.840 1.00 0.00 C ATOM 594 CG PRO A 280 -12.914 -2.924 -1.557 1.00 0.00 C ATOM 595 CD PRO A 280 -12.116 -2.676 -2.827 1.00 0.00 C ATOM 0 HA PRO A 280 -14.683 -0.856 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.720 -1.893 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.950 -2.921 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.421 -2.498 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -13.041 -3.989 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -11.057 -2.551 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.198 -3.524 -3.506 1.00 0.00 H new ATOM 603 N ASP A 281 -14.780 1.026 -1.877 1.00 0.00 N ATOM 604 CA ASP A 281 -14.825 2.279 -1.103 1.00 0.00 C ATOM 605 C ASP A 281 -14.792 2.057 0.424 1.00 0.00 C ATOM 606 O ASP A 281 -14.593 3.002 1.189 1.00 0.00 O ATOM 607 CB ASP A 281 -16.079 3.078 -1.497 1.00 0.00 C ATOM 608 CG ASP A 281 -16.048 3.538 -2.962 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.353 4.537 -3.263 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.737 2.913 -3.804 1.00 0.00 O ATOM 0 H ASP A 281 -15.661 0.813 -2.345 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.923 2.840 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.964 2.464 -1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.169 3.949 -0.848 1.00 0.00 H new ATOM 615 N ASN A 282 -14.937 0.805 0.867 1.00 0.00 N ATOM 616 CA ASN A 282 -14.923 0.366 2.266 1.00 0.00 C ATOM 617 C ASN A 282 -13.776 -0.633 2.541 1.00 0.00 C ATOM 618 O ASN A 282 -13.862 -1.455 3.457 1.00 0.00 O ATOM 619 CB ASN A 282 -16.309 -0.207 2.623 1.00 0.00 C ATOM 620 CG ASN A 282 -17.425 0.821 2.472 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.107 0.889 1.456 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.654 1.645 3.480 1.00 0.00 N ATOM 0 H ASN A 282 -15.075 0.026 0.223 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.725 1.220 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.520 -1.063 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.293 -0.573 3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.399 2.338 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.086 1.587 4.325 1.00 0.00 H new ATOM 629 N TRP A 283 -12.701 -0.579 1.741 1.00 0.00 N ATOM 630 CA TRP A 283 -11.469 -1.344 1.951 1.00 0.00 C ATOM 631 C TRP A 283 -10.894 -1.144 3.367 1.00 0.00 C ATOM 632 O TRP A 283 -10.813 -0.023 3.862 1.00 0.00 O ATOM 633 CB TRP A 283 -10.431 -0.950 0.893 1.00 0.00 C ATOM 634 CG TRP A 283 -9.251 -1.863 0.865 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.095 -2.921 0.040 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.096 -1.862 1.757 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.939 -3.598 0.380 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.298 -3.000 1.445 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.665 -1.042 2.826 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.137 -3.307 2.164 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.509 -1.349 3.562 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.751 -2.482 3.229 1.00 0.00 C ATOM 0 H TRP A 283 -12.666 0.013 0.911 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.712 -2.402 1.851 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.904 -0.947 -0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.092 0.068 1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.768 -3.195 -0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.602 -4.435 -0.097 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.237 -0.162 3.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.545 -4.171 1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.204 -0.715 4.382 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.864 -2.720 3.797 1.00 0.00 H new ATOM 653 N SER A 284 -10.443 -2.221 4.002 1.00 0.00 N ATOM 654 CA SER A 284 -9.865 -2.239 5.353 1.00 0.00 C ATOM 655 C SER A 284 -8.704 -3.239 5.426 1.00 0.00 C ATOM 656 O SER A 284 -8.514 -4.033 4.502 1.00 0.00 O ATOM 657 CB SER A 284 -10.950 -2.608 6.379 1.00 0.00 C ATOM 658 OG SER A 284 -11.465 -3.921 6.157 1.00 0.00 O ATOM 0 H SER A 284 -10.469 -3.148 3.576 1.00 0.00 H new ATOM 0 HA SER A 284 -9.479 -1.246 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.535 -2.546 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.763 -1.884 6.324 1.00 0.00 H new ATOM 0 HG SER A 284 -12.150 -4.121 6.828 1.00 0.00 H new ATOM 664 N CYS A 285 -7.951 -3.250 6.533 1.00 0.00 N ATOM 665 CA CYS A 285 -6.860 -4.210 6.748 1.00 0.00 C ATOM 666 C CYS A 285 -7.304 -5.682 6.533 1.00 0.00 C ATOM 667 O CYS A 285 -6.522 -6.507 6.065 1.00 0.00 O ATOM 668 CB CYS A 285 -6.283 -4.060 8.166 1.00 0.00 C ATOM 669 SG CYS A 285 -5.690 -2.387 8.547 1.00 0.00 S ATOM 0 H CYS A 285 -8.080 -2.595 7.304 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.097 -3.980 6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.049 -4.337 8.890 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.459 -4.763 8.289 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.674 -1.544 8.443 1.00 0.00 H new ATOM 674 N ASP A 286 -8.569 -6.013 6.824 1.00 0.00 N ATOM 675 CA ASP A 286 -9.171 -7.342 6.618 1.00 0.00 C ATOM 676 C ASP A 286 -9.300 -7.742 5.129 1.00 0.00 C ATOM 677 O ASP A 286 -9.521 -8.911 4.811 1.00 0.00 O ATOM 678 CB ASP A 286 -10.539 -7.358 7.321 1.00 0.00 C ATOM 679 CG ASP A 286 -11.191 -8.752 7.343 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.664 -9.653 8.039 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.254 -8.929 6.701 1.00 0.00 O ATOM 0 H ASP A 286 -9.226 -5.342 7.223 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.505 -8.089 7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.419 -7.004 8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.207 -6.659 6.818 1.00 0.00 H new ATOM 686 N GLN A 287 -9.128 -6.784 4.214 1.00 0.00 N ATOM 687 CA GLN A 287 -9.206 -6.940 2.758 1.00 0.00 C ATOM 688 C GLN A 287 -7.808 -6.891 2.098 1.00 0.00 C ATOM 689 O GLN A 287 -7.694 -6.775 0.875 1.00 0.00 O ATOM 690 CB GLN A 287 -10.172 -5.868 2.213 1.00 0.00 C ATOM 691 CG GLN A 287 -11.624 -6.140 2.646 1.00 0.00 C ATOM 692 CD GLN A 287 -12.536 -4.928 2.472 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.036 -4.637 1.394 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.779 -4.167 3.519 1.00 0.00 N ATOM 0 H GLN A 287 -8.918 -5.823 4.485 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.597 -7.926 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.864 -4.885 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.115 -5.845 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.021 -6.972 2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.634 -6.448 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.369 -4.398 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.378 -3.347 3.425 1.00 0.00 H new ATOM 703 N ASN A 288 -6.732 -6.989 2.890 1.00 0.00 N ATOM 704 CA ASN A 288 -5.348 -6.955 2.410 1.00 0.00 C ATOM 705 C ASN A 288 -4.903 -8.251 1.711 1.00 0.00 C ATOM 706 O ASN A 288 -5.332 -9.352 2.073 1.00 0.00 O ATOM 707 CB ASN A 288 -4.411 -6.629 3.584 1.00 0.00 C ATOM 708 CG ASN A 288 -3.068 -6.088 3.113 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.998 -5.229 2.247 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.965 -6.593 3.629 1.00 0.00 N ATOM 0 H ASN A 288 -6.803 -7.096 3.902 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.294 -6.175 1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.888 -5.896 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.250 -7.528 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.055 -6.267 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.022 -7.310 4.352 1.00 0.00 H new ATOM 717 N THR A 289 -3.985 -8.114 0.743 1.00 0.00 N ATOM 718 CA THR A 289 -3.356 -9.232 0.020 1.00 0.00 C ATOM 719 C THR A 289 -2.224 -9.896 0.805 1.00 0.00 C ATOM 720 O THR A 289 -1.913 -11.055 0.540 1.00 0.00 O ATOM 721 CB THR A 289 -2.835 -8.769 -1.345 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.991 -7.651 -1.167 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.972 -8.365 -2.284 1.00 0.00 C ATOM 0 H THR A 289 -3.651 -7.202 0.433 1.00 0.00 H new ATOM 0 HA THR A 289 -4.136 -9.981 -0.116 1.00 0.00 H new ATOM 0 HB THR A 289 -2.296 -9.605 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.655 -7.353 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.558 -8.044 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.633 -9.217 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.537 -7.546 -1.840 1.00 0.00 H new ATOM 731 N ASP A 290 -1.634 -9.203 1.785 1.00 0.00 N ATOM 732 CA ASP A 290 -0.507 -9.694 2.585 1.00 0.00 C ATOM 733 C ASP A 290 -0.946 -10.129 3.991 1.00 0.00 C ATOM 734 O ASP A 290 -1.432 -9.314 4.779 1.00 0.00 O ATOM 735 CB ASP A 290 0.590 -8.617 2.692 1.00 0.00 C ATOM 736 CG ASP A 290 2.012 -9.194 2.690 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.178 -10.422 2.875 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.968 -8.397 2.556 1.00 0.00 O ATOM 0 H ASP A 290 -1.933 -8.265 2.050 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.108 -10.569 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.487 -7.920 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.439 -8.045 3.607 1.00 0.00 H new ATOM 743 N VAL A 291 -0.726 -11.402 4.322 1.00 0.00 N ATOM 744 CA VAL A 291 -1.179 -12.019 5.591 1.00 0.00 C ATOM 745 C VAL A 291 -0.440 -11.490 6.827 1.00 0.00 C ATOM 746 O VAL A 291 -0.941 -11.598 7.944 1.00 0.00 O ATOM 747 CB VAL A 291 -1.080 -13.562 5.570 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.939 -14.146 4.439 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.369 -14.064 5.442 1.00 0.00 C ATOM 0 H VAL A 291 -0.223 -12.050 3.716 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.226 -11.728 5.670 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.459 -13.909 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.855 -15.233 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.981 -13.862 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.592 -13.758 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.377 -15.154 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.803 -13.690 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.955 -13.704 6.288 1.00 0.00 H new ATOM 759 N GLN A 292 0.739 -10.894 6.626 1.00 0.00 N ATOM 760 CA GLN A 292 1.532 -10.269 7.690 1.00 0.00 C ATOM 761 C GLN A 292 0.950 -8.941 8.191 1.00 0.00 C ATOM 762 O GLN A 292 1.326 -8.497 9.273 1.00 0.00 O ATOM 763 CB GLN A 292 3.008 -10.126 7.292 1.00 0.00 C ATOM 764 CG GLN A 292 3.312 -9.854 5.815 1.00 0.00 C ATOM 765 CD GLN A 292 4.759 -9.414 5.557 1.00 0.00 C ATOM 766 OE1 GLN A 292 5.672 -9.623 6.349 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.035 -8.779 4.437 1.00 0.00 N ATOM 0 H GLN A 292 1.176 -10.831 5.707 1.00 0.00 H new ATOM 0 HA GLN A 292 1.479 -10.954 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.440 -9.316 7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.526 -11.041 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.107 -10.756 5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.635 -9.081 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 292 4.295 -8.592 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 292 5.989 -8.474 4.246 1.00 0.00 H new ATOM 776 N TYR A 293 0.014 -8.339 7.450 1.00 0.00 N ATOM 777 CA TYR A 293 -0.652 -7.078 7.814 1.00 0.00 C ATOM 778 C TYR A 293 -2.164 -7.086 7.490 1.00 0.00 C ATOM 779 O TYR A 293 -2.770 -6.038 7.263 1.00 0.00 O ATOM 780 CB TYR A 293 0.096 -5.891 7.181 1.00 0.00 C ATOM 781 CG TYR A 293 1.549 -5.726 7.602 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.580 -6.403 6.920 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.872 -4.885 8.684 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.921 -6.238 7.311 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.212 -4.704 9.076 1.00 0.00 C ATOM 786 CZ TYR A 293 4.242 -5.390 8.395 1.00 0.00 C ATOM 787 OH TYR A 293 5.539 -5.255 8.787 1.00 0.00 O ATOM 0 H TYR A 293 -0.311 -8.720 6.561 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.603 -6.965 8.897 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.061 -6.000 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.441 -4.975 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.339 -7.053 6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 293 1.085 -4.374 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.705 -6.759 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.452 -4.042 9.895 1.00 0.00 H new ATOM 0 HH TYR A 293 5.589 -4.635 9.545 1.00 0.00 H new ATOM 797 N ASN A 294 -2.791 -8.270 7.477 1.00 0.00 N ATOM 798 CA ASN A 294 -4.202 -8.467 7.108 1.00 0.00 C ATOM 799 C ASN A 294 -5.213 -8.235 8.258 1.00 0.00 C ATOM 800 O ASN A 294 -6.347 -8.718 8.201 1.00 0.00 O ATOM 801 CB ASN A 294 -4.395 -9.833 6.427 1.00 0.00 C ATOM 802 CG ASN A 294 -4.359 -11.030 7.381 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.971 -10.940 8.540 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.775 -12.194 6.914 1.00 0.00 N ATOM 0 H ASN A 294 -2.321 -9.139 7.729 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.437 -7.680 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.351 -9.831 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.618 -9.962 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.773 -13.016 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.098 -12.271 5.950 1.00 0.00 H new ATOM 811 N ARG A 295 -4.797 -7.528 9.318 1.00 0.00 N ATOM 812 CA ARG A 295 -5.608 -7.226 10.503 1.00 0.00 C ATOM 813 C ARG A 295 -5.356 -5.817 11.028 1.00 0.00 C ATOM 814 O ARG A 295 -4.213 -5.385 11.166 1.00 0.00 O ATOM 815 CB ARG A 295 -5.283 -8.227 11.620 1.00 0.00 C ATOM 816 CG ARG A 295 -6.176 -9.470 11.583 1.00 0.00 C ATOM 817 CD ARG A 295 -5.713 -10.447 12.666 1.00 0.00 C ATOM 818 NE ARG A 295 -6.626 -11.597 12.784 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.490 -12.625 13.615 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.479 -12.716 14.456 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.385 -13.589 13.613 1.00 0.00 N ATOM 0 H ARG A 295 -3.856 -7.139 9.375 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.654 -7.300 10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.240 -8.532 11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.394 -7.735 12.586 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.217 -9.191 11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.124 -9.942 10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.709 -10.801 12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.654 -9.929 13.623 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.440 -11.605 12.169 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.770 -11.983 14.483 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.406 -13.519 15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.180 -13.546 12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.284 -14.380 14.249 1.00 0.00 H new ATOM 835 N CYS A 296 -6.434 -5.164 11.446 1.00 0.00 N ATOM 836 CA CYS A 296 -6.448 -3.850 12.085 1.00 0.00 C ATOM 837 C CYS A 296 -5.708 -3.764 13.436 1.00 0.00 C ATOM 838 O CYS A 296 -5.377 -2.671 13.900 1.00 0.00 O ATOM 839 CB CYS A 296 -7.924 -3.498 12.266 1.00 0.00 C ATOM 840 SG CYS A 296 -8.569 -2.752 10.748 1.00 0.00 S ATOM 0 H CYS A 296 -7.370 -5.555 11.344 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.904 -3.151 11.450 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.493 -4.394 12.512 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.042 -2.807 13.100 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.588 -2.526 9.925 1.00 0.00 H new ATOM 845 N ASP A 297 -5.424 -4.911 14.051 1.00 0.00 N ATOM 846 CA ASP A 297 -4.716 -5.029 15.327 1.00 0.00 C ATOM 847 C ASP A 297 -3.199 -5.183 15.108 1.00 0.00 C ATOM 848 O ASP A 297 -2.426 -5.271 16.063 1.00 0.00 O ATOM 849 CB ASP A 297 -5.347 -6.198 16.091 1.00 0.00 C ATOM 850 CG ASP A 297 -4.880 -6.294 17.555 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.112 -5.331 18.325 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.325 -7.350 17.941 1.00 0.00 O ATOM 0 H ASP A 297 -5.689 -5.816 13.662 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.820 -4.123 15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.432 -6.093 16.069 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.106 -7.130 15.579 1.00 0.00 H new ATOM 857 N ILE A 298 -2.768 -5.184 13.840 1.00 0.00 N ATOM 858 CA ILE A 298 -1.367 -5.233 13.428 1.00 0.00 C ATOM 859 C ILE A 298 -0.897 -3.807 13.110 1.00 0.00 C ATOM 860 O ILE A 298 -1.572 -3.113 12.336 1.00 0.00 O ATOM 861 CB ILE A 298 -1.152 -6.171 12.220 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.715 -7.567 12.554 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.344 -6.240 11.879 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.519 -8.619 11.457 1.00 0.00 C ATOM 0 H ILE A 298 -3.411 -5.149 13.049 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.774 -5.644 14.245 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.680 -5.786 11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.242 -7.924 13.469 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.781 -7.473 12.761 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.493 -6.903 11.026 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.707 -5.243 11.631 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.895 -6.624 12.737 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.947 -9.568 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.017 -8.290 10.545 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.454 -8.748 11.263 1.00 0.00 H new ATOM 876 N PRO A 299 0.256 -3.384 13.656 1.00 0.00 N ATOM 877 CA PRO A 299 0.802 -2.045 13.473 1.00 0.00 C ATOM 878 C PRO A 299 1.147 -1.750 12.011 1.00 0.00 C ATOM 879 O PRO A 299 1.319 -2.653 11.194 1.00 0.00 O ATOM 880 CB PRO A 299 2.041 -2.000 14.370 1.00 0.00 C ATOM 881 CG PRO A 299 2.478 -3.453 14.506 1.00 0.00 C ATOM 882 CD PRO A 299 1.151 -4.198 14.467 1.00 0.00 C ATOM 0 HA PRO A 299 0.075 -1.278 13.741 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.828 -1.390 13.926 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.810 -1.564 15.342 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.138 -3.756 13.694 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.016 -3.630 15.437 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.274 -5.191 14.035 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.751 -4.335 15.472 1.00 0.00 H new ATOM 890 N GLU A 300 1.250 -0.461 11.680 1.00 0.00 N ATOM 891 CA GLU A 300 1.659 0.016 10.368 1.00 0.00 C ATOM 892 C GLU A 300 3.136 -0.340 10.083 1.00 0.00 C ATOM 893 O GLU A 300 3.992 -0.254 10.969 1.00 0.00 O ATOM 894 CB GLU A 300 1.419 1.537 10.318 1.00 0.00 C ATOM 895 CG GLU A 300 1.028 1.951 8.903 1.00 0.00 C ATOM 896 CD GLU A 300 1.003 3.469 8.693 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.964 4.175 9.080 1.00 0.00 O ATOM 898 OE2 GLU A 300 0.013 3.955 8.105 1.00 0.00 O ATOM 0 H GLU A 300 1.045 0.293 12.336 1.00 0.00 H new ATOM 0 HA GLU A 300 1.070 -0.471 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.631 1.814 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.320 2.067 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.729 1.506 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.043 1.545 8.673 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.001 5.460 1.118 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.043 6.286 0.363 1.00 0.00 C ATOM 1029 C ARG B 2 -7.013 5.408 -0.349 1.00 0.00 C ATOM 1030 O ARG B 2 -6.692 4.309 0.113 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.338 7.306 1.274 1.00 0.00 C ATOM 1032 CG ARG B 2 -6.991 8.612 0.535 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.538 9.718 1.499 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.672 10.269 2.265 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.614 11.216 3.194 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.476 11.779 3.548 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.719 11.622 3.782 1.00 0.00 N ATOM 0 HA ARG B 2 -8.608 6.840 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.980 7.533 2.125 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.425 6.863 1.672 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.201 8.418 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.862 8.954 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.793 9.319 2.187 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.056 10.517 0.936 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.594 9.884 2.060 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.604 11.490 3.104 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.467 12.504 4.265 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.615 11.209 3.524 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.679 12.349 4.496 1.00 0.00 H new ATOM 1051 N THR B 3 -6.469 5.930 -1.444 1.00 0.00 N ATOM 1052 CA THR B 3 -5.493 5.265 -2.316 1.00 0.00 C ATOM 1053 C THR B 3 -4.441 6.257 -2.772 1.00 0.00 C ATOM 1054 O THR B 3 -4.756 7.380 -3.167 1.00 0.00 O ATOM 1055 CB THR B 3 -6.168 4.618 -3.534 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.177 5.452 -4.062 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.787 3.273 -3.158 1.00 0.00 C ATOM 0 H THR B 3 -6.703 6.869 -1.766 1.00 0.00 H new ATOM 0 HA THR B 3 -5.018 4.472 -1.738 1.00 0.00 H new ATOM 0 HB THR B 3 -5.396 4.469 -4.289 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.589 5.017 -4.837 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.260 2.832 -4.036 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.009 2.604 -2.791 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.535 3.422 -2.379 1.00 0.00 H new