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= 0.452 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.19 K(o=1.6,f=1) USER MOD Set 2.1: A 259 CYS SG : rot -177:sc= 1.08 USER MOD Set 2.2: A 264 CYS SG : rot 147:sc= 2.22 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 129:sc= 1.43 (180deg=-0.178) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 3.2 USER MOD Set 2.5: A 296 CYS SG : rot -7:sc= 1.38 USER MOD Single : A 258 GLN : amide:sc= 0.74 K(o=0.74,f=-0.59) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0452 K(o=0.045,f=-1.1) 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= -0.21 X(o=-0.21,f=-0.3) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.490 0.673 -4.952 1.00 0.00 N ATOM 195 CA VAL A 255 0.137 1.056 -4.509 1.00 0.00 C ATOM 196 C VAL A 255 -0.009 0.814 -3.004 1.00 0.00 C ATOM 197 O VAL A 255 0.354 -0.252 -2.499 1.00 0.00 O ATOM 198 CB VAL A 255 -0.959 0.296 -5.293 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.372 0.788 -4.928 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.761 0.453 -6.811 1.00 0.00 C ATOM 0 HA VAL A 255 0.004 2.118 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.867 -0.754 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.111 0.228 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.547 0.635 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.459 1.849 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.545 -0.091 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.810 1.509 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.212 0.052 -7.094 1.00 0.00 H new ATOM 210 N TRP A 256 -0.581 1.800 -2.308 1.00 0.00 N ATOM 211 CA TRP A 256 -0.921 1.734 -0.886 1.00 0.00 C ATOM 212 C TRP A 256 -2.393 2.122 -0.656 1.00 0.00 C ATOM 213 O TRP A 256 -2.944 2.971 -1.362 1.00 0.00 O ATOM 214 CB TRP A 256 -0.010 2.665 -0.073 1.00 0.00 C ATOM 215 CG TRP A 256 1.454 2.388 -0.048 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.325 2.691 -1.034 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.251 1.812 1.036 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.601 2.354 -0.641 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.614 1.774 0.612 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.966 1.327 2.336 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.635 1.240 1.413 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.982 0.773 3.138 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.309 0.716 2.676 1.00 0.00 C ATOM 0 H TRP A 256 -0.828 2.694 -2.733 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.773 0.707 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.149 3.677 -0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.366 2.659 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.062 3.130 -1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.435 2.513 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.957 1.383 2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.657 1.232 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.740 0.388 4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.077 0.270 3.291 1.00 0.00 H new ATOM 234 N VAL A 257 -3.005 1.524 0.369 1.00 0.00 N ATOM 235 CA VAL A 257 -4.441 1.657 0.690 1.00 0.00 C ATOM 236 C VAL A 257 -4.654 1.969 2.166 1.00 0.00 C ATOM 237 O VAL A 257 -4.072 1.311 3.025 1.00 0.00 O ATOM 238 CB VAL A 257 -5.241 0.383 0.333 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.664 0.406 -1.134 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.478 -0.919 0.628 1.00 0.00 C ATOM 0 H VAL A 257 -2.508 0.916 1.020 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.808 2.484 0.083 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.121 0.392 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.226 -0.499 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.290 1.279 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.778 0.455 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.097 -1.773 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.555 -0.939 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.240 -0.969 1.691 1.00 0.00 H new ATOM 250 N GLN A 258 -5.488 2.973 2.447 1.00 0.00 N ATOM 251 CA GLN A 258 -5.822 3.405 3.802 1.00 0.00 C ATOM 252 C GLN A 258 -7.118 2.752 4.291 1.00 0.00 C ATOM 253 O GLN A 258 -8.147 2.798 3.609 1.00 0.00 O ATOM 254 CB GLN A 258 -5.919 4.934 3.876 1.00 0.00 C ATOM 255 CG GLN A 258 -5.971 5.441 5.329 1.00 0.00 C ATOM 256 CD GLN A 258 -5.846 6.963 5.430 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.427 7.724 4.666 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.091 7.471 6.382 1.00 0.00 N ATOM 0 H GLN A 258 -5.958 3.517 1.724 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.018 3.081 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.062 5.376 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.811 5.267 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.910 5.127 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.168 4.976 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.600 6.853 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.998 8.483 6.474 1.00 0.00 H new ATOM 267 N CYS A 259 -7.054 2.184 5.498 1.00 0.00 N ATOM 268 CA CYS A 259 -8.158 1.546 6.209 1.00 0.00 C ATOM 269 C CYS A 259 -9.398 2.463 6.351 1.00 0.00 C ATOM 270 O CYS A 259 -9.284 3.663 6.621 1.00 0.00 O ATOM 271 CB CYS A 259 -7.601 1.126 7.574 1.00 0.00 C ATOM 272 SG CYS A 259 -8.739 -0.025 8.387 1.00 0.00 S ATOM 0 H CYS A 259 -6.185 2.157 6.031 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.521 0.687 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.626 0.656 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.453 2.005 8.201 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.289 -0.316 9.572 1.00 0.00 H new ATOM 277 N SER A 260 -10.593 1.895 6.182 1.00 0.00 N ATOM 278 CA SER A 260 -11.880 2.596 6.305 1.00 0.00 C ATOM 279 C SER A 260 -12.194 3.080 7.731 1.00 0.00 C ATOM 280 O SER A 260 -12.956 4.038 7.897 1.00 0.00 O ATOM 281 CB SER A 260 -13.028 1.706 5.798 1.00 0.00 C ATOM 282 OG SER A 260 -13.082 0.452 6.469 1.00 0.00 O ATOM 0 H SER A 260 -10.699 0.908 5.949 1.00 0.00 H new ATOM 0 HA SER A 260 -11.789 3.488 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.975 2.228 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.907 1.537 4.728 1.00 0.00 H new ATOM 0 HG SER A 260 -13.827 -0.077 6.114 1.00 0.00 H new ATOM 288 N PHE A 261 -11.613 2.455 8.764 1.00 0.00 N ATOM 289 CA PHE A 261 -11.833 2.836 10.156 1.00 0.00 C ATOM 290 C PHE A 261 -10.983 4.054 10.566 1.00 0.00 C ATOM 291 O PHE A 261 -9.779 4.086 10.287 1.00 0.00 O ATOM 292 CB PHE A 261 -11.556 1.646 11.075 1.00 0.00 C ATOM 293 CG PHE A 261 -12.529 0.497 10.925 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.837 0.611 11.433 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.123 -0.691 10.290 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.735 -0.464 11.303 1.00 0.00 C ATOM 297 CE2 PHE A 261 -13.016 -1.767 10.171 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.325 -1.654 10.674 1.00 0.00 C ATOM 0 H PHE A 261 -10.975 1.667 8.651 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.878 3.130 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.548 1.280 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.576 1.990 12.109 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.150 1.522 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.122 -0.775 9.893 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.741 -0.376 11.687 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.698 -2.682 9.693 1.00 0.00 H new ATOM 0 HZ PHE A 261 -15.014 -2.480 10.577 1.00 0.00 H new ATOM 308 N PRO A 262 -11.581 5.029 11.278 1.00 0.00 N ATOM 309 CA PRO A 262 -10.915 6.254 11.711 1.00 0.00 C ATOM 310 C PRO A 262 -9.902 6.006 12.836 1.00 0.00 C ATOM 311 O PRO A 262 -8.870 6.672 12.896 1.00 0.00 O ATOM 312 CB PRO A 262 -12.057 7.158 12.183 1.00 0.00 C ATOM 313 CG PRO A 262 -13.128 6.188 12.682 1.00 0.00 C ATOM 314 CD PRO A 262 -12.967 5.012 11.729 1.00 0.00 C ATOM 0 HA PRO A 262 -10.329 6.697 10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.730 7.831 12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.432 7.781 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.962 5.897 13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.127 6.622 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.200 4.072 12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.650 5.101 10.885 1.00 0.00 H new ATOM 322 N ASN A 263 -10.166 5.014 13.692 1.00 0.00 N ATOM 323 CA ASN A 263 -9.255 4.545 14.746 1.00 0.00 C ATOM 324 C ASN A 263 -8.086 3.682 14.215 1.00 0.00 C ATOM 325 O ASN A 263 -7.188 3.322 14.980 1.00 0.00 O ATOM 326 CB ASN A 263 -10.069 3.802 15.815 1.00 0.00 C ATOM 327 CG ASN A 263 -10.755 2.553 15.268 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.798 2.630 14.631 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.189 1.378 15.482 1.00 0.00 N ATOM 0 H ASN A 263 -11.046 4.498 13.672 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.778 5.420 15.187 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.411 3.520 16.637 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.822 4.475 16.226 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.621 0.530 15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.320 1.320 16.013 1.00 0.00 H new ATOM 336 N CYS A 264 -8.089 3.372 12.911 1.00 0.00 N ATOM 337 CA CYS A 264 -6.990 2.746 12.179 1.00 0.00 C ATOM 338 C CYS A 264 -6.241 3.837 11.396 1.00 0.00 C ATOM 339 O CYS A 264 -5.192 4.314 11.838 1.00 0.00 O ATOM 340 CB CYS A 264 -7.557 1.640 11.275 1.00 0.00 C ATOM 341 SG CYS A 264 -6.568 0.125 11.314 1.00 0.00 S ATOM 0 H CYS A 264 -8.895 3.561 12.316 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.275 2.274 12.852 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.576 1.411 11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.611 2.007 10.250 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.346 -0.905 11.162 1.00 0.00 H new ATOM 346 N GLY A 265 -6.779 4.220 10.227 1.00 0.00 N ATOM 347 CA GLY A 265 -6.150 5.137 9.283 1.00 0.00 C ATOM 348 C GLY A 265 -4.819 4.620 8.728 1.00 0.00 C ATOM 349 O GLY A 265 -4.054 5.398 8.162 1.00 0.00 O ATOM 0 H GLY A 265 -7.690 3.887 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.834 5.320 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.982 6.095 9.775 1.00 0.00 H new ATOM 353 N LYS A 266 -4.534 3.325 8.901 1.00 0.00 N ATOM 354 CA LYS A 266 -3.269 2.691 8.526 1.00 0.00 C ATOM 355 C LYS A 266 -3.151 2.497 7.016 1.00 0.00 C ATOM 356 O LYS A 266 -4.137 2.149 6.360 1.00 0.00 O ATOM 357 CB LYS A 266 -3.149 1.330 9.216 1.00 0.00 C ATOM 358 CG LYS A 266 -3.023 1.438 10.730 1.00 0.00 C ATOM 359 CD LYS A 266 -2.886 0.018 11.273 1.00 0.00 C ATOM 360 CE LYS A 266 -2.875 0.001 12.792 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.202 0.358 13.363 1.00 0.00 N ATOM 0 H LYS A 266 -5.197 2.672 9.318 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.465 3.353 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.024 0.727 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.279 0.804 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.156 2.039 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.898 1.930 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.711 -0.594 10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.966 -0.429 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.585 -0.990 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.123 0.701 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.485 -0.361 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.141 1.286 13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.908 0.399 12.601 1.00 0.00 H new ATOM 375 N TRP A 267 -1.942 2.639 6.477 1.00 0.00 N ATOM 376 CA TRP A 267 -1.633 2.353 5.081 1.00 0.00 C ATOM 377 C TRP A 267 -0.997 0.966 4.967 1.00 0.00 C ATOM 378 O TRP A 267 0.082 0.721 5.509 1.00 0.00 O ATOM 379 CB TRP A 267 -0.735 3.455 4.510 1.00 0.00 C ATOM 380 CG TRP A 267 -1.379 4.802 4.417 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.401 5.730 5.398 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.122 5.385 3.304 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.059 6.861 4.954 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.523 6.705 3.665 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.507 4.922 2.029 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.241 7.536 2.790 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.249 5.736 1.153 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.600 7.047 1.521 1.00 0.00 C ATOM 0 H TRP A 267 -1.135 2.963 7.010 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.549 2.343 4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.157 3.536 5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.404 3.156 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.970 5.607 6.380 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.186 7.706 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.228 3.926 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.514 8.538 3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.551 5.351 0.190 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.143 7.676 0.832 1.00 0.00 H new ATOM 399 N ARG A 268 -1.673 0.063 4.249 1.00 0.00 N ATOM 400 CA ARG A 268 -1.148 -1.256 3.886 1.00 0.00 C ATOM 401 C ARG A 268 -0.687 -1.258 2.425 1.00 0.00 C ATOM 402 O ARG A 268 -1.205 -0.497 1.596 1.00 0.00 O ATOM 403 CB ARG A 268 -2.185 -2.365 4.131 1.00 0.00 C ATOM 404 CG ARG A 268 -2.891 -2.338 5.496 1.00 0.00 C ATOM 405 CD ARG A 268 -1.970 -2.367 6.712 1.00 0.00 C ATOM 406 NE ARG A 268 -2.781 -2.546 7.923 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.348 -2.740 9.155 1.00 0.00 C ATOM 408 NH1 ARG A 268 -1.087 -2.622 9.496 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.213 -3.045 10.082 1.00 0.00 N ATOM 0 H ARG A 268 -2.616 0.232 3.898 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.291 -1.464 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.944 -2.304 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.689 -3.329 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.507 -1.440 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.567 -3.191 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.249 -3.179 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.400 -1.440 6.774 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.793 -2.517 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.391 -2.370 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.803 -2.782 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.202 -3.129 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.900 -3.199 11.041 1.00 0.00 H new ATOM 423 N ARG A 269 0.297 -2.112 2.140 1.00 0.00 N ATOM 424 CA ARG A 269 0.995 -2.232 0.858 1.00 0.00 C ATOM 425 C ARG A 269 0.375 -3.348 0.001 1.00 0.00 C ATOM 426 O ARG A 269 0.093 -4.429 0.521 1.00 0.00 O ATOM 427 CB ARG A 269 2.471 -2.546 1.159 1.00 0.00 C ATOM 428 CG ARG A 269 3.407 -2.113 0.023 1.00 0.00 C ATOM 429 CD ARG A 269 4.497 -3.153 -0.264 1.00 0.00 C ATOM 430 NE ARG A 269 3.986 -4.216 -1.149 1.00 0.00 N ATOM 431 CZ ARG A 269 4.533 -5.401 -1.379 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.621 -5.815 -0.761 1.00 0.00 N ATOM 433 NH2 ARG A 269 3.971 -6.187 -2.269 1.00 0.00 N ATOM 0 H ARG A 269 0.647 -2.773 2.833 1.00 0.00 H new ATOM 0 HA ARG A 269 0.908 -1.303 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.766 -2.043 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.584 -3.617 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.823 -1.944 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.874 -1.163 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.355 -2.668 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.845 -3.589 0.672 1.00 0.00 H new ATOM 0 HE ARG A 269 3.114 -4.017 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.077 -5.215 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 269 6.007 -6.736 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 269 3.134 -5.880 -2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.372 -7.104 -2.465 1.00 0.00 H new ATOM 447 N LEU A 270 0.190 -3.107 -1.302 1.00 0.00 N ATOM 448 CA LEU A 270 -0.411 -4.060 -2.252 1.00 0.00 C ATOM 449 C LEU A 270 0.615 -4.602 -3.265 1.00 0.00 C ATOM 450 O LEU A 270 1.815 -4.337 -3.162 1.00 0.00 O ATOM 451 CB LEU A 270 -1.622 -3.386 -2.938 1.00 0.00 C ATOM 452 CG LEU A 270 -2.751 -2.951 -1.984 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.895 -2.372 -2.822 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.303 -4.099 -1.123 1.00 0.00 C ATOM 0 H LEU A 270 0.459 -2.225 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.760 -4.936 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.270 -2.511 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.034 -4.076 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.329 -2.215 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.705 -2.058 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.533 -1.513 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.262 -3.132 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.094 -3.720 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.705 -4.878 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.501 -4.513 -0.512 1.00 0.00 H new ATOM 529 N PRO A 276 -5.654 1.028 -7.953 1.00 0.00 N ATOM 530 CA PRO A 276 -6.625 1.647 -7.058 1.00 0.00 C ATOM 531 C PRO A 276 -7.959 2.013 -7.731 1.00 0.00 C ATOM 532 O PRO A 276 -8.931 2.264 -7.020 1.00 0.00 O ATOM 533 CB PRO A 276 -5.906 2.849 -6.440 1.00 0.00 C ATOM 534 CG PRO A 276 -4.832 3.203 -7.462 1.00 0.00 C ATOM 535 CD PRO A 276 -4.455 1.849 -8.053 1.00 0.00 C ATOM 0 HA PRO A 276 -6.942 0.939 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.590 3.682 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.470 2.599 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.210 3.884 -8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.977 3.691 -6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.135 1.950 -9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.626 1.400 -7.506 1.00 0.00 H new ATOM 543 N SER A 277 -8.072 1.971 -9.066 1.00 0.00 N ATOM 544 CA SER A 277 -9.353 2.120 -9.770 1.00 0.00 C ATOM 545 C SER A 277 -10.300 0.907 -9.626 1.00 0.00 C ATOM 546 O SER A 277 -11.500 1.048 -9.881 1.00 0.00 O ATOM 547 CB SER A 277 -9.100 2.415 -11.257 1.00 0.00 C ATOM 548 OG SER A 277 -8.649 1.266 -11.965 1.00 0.00 O ATOM 0 H SER A 277 -7.276 1.833 -9.689 1.00 0.00 H new ATOM 0 HA SER A 277 -9.864 2.957 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 277 -10.019 2.783 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.359 3.209 -11.347 1.00 0.00 H new ATOM 0 HG SER A 277 -8.502 1.498 -12.906 1.00 0.00 H new ATOM 554 N VAL A 278 -9.796 -0.259 -9.186 1.00 0.00 N ATOM 555 CA VAL A 278 -10.579 -1.509 -9.017 1.00 0.00 C ATOM 556 C VAL A 278 -10.683 -1.963 -7.547 1.00 0.00 C ATOM 557 O VAL A 278 -10.908 -3.143 -7.273 1.00 0.00 O ATOM 558 CB VAL A 278 -10.104 -2.650 -9.955 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.258 -2.260 -11.435 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.661 -3.112 -9.697 1.00 0.00 C ATOM 0 H VAL A 278 -8.814 -0.368 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.594 -1.260 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.756 -3.492 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.916 -3.081 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.306 -2.050 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.661 -1.372 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.405 -3.911 -10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -7.979 -2.274 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.574 -3.480 -8.675 1.00 0.00 H new ATOM 570 N LEU A 279 -10.535 -1.032 -6.593 1.00 0.00 N ATOM 571 CA LEU A 279 -10.635 -1.295 -5.148 1.00 0.00 C ATOM 572 C LEU A 279 -11.871 -0.623 -4.505 1.00 0.00 C ATOM 573 O LEU A 279 -12.341 0.405 -5.008 1.00 0.00 O ATOM 574 CB LEU A 279 -9.321 -0.878 -4.456 1.00 0.00 C ATOM 575 CG LEU A 279 -8.122 -1.773 -4.830 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.840 -1.194 -4.232 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.300 -3.204 -4.290 1.00 0.00 C ATOM 0 H LEU A 279 -10.338 -0.055 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.781 -2.366 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.091 0.154 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.463 -0.906 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.062 -1.806 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -5.995 -1.829 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.677 -0.190 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -6.932 -1.149 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.438 -3.809 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.384 -3.175 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.204 -3.643 -4.713 1.00 0.00 H new ATOM 589 N PRO A 280 -12.407 -1.208 -3.412 1.00 0.00 N ATOM 590 CA PRO A 280 -13.658 -0.796 -2.781 1.00 0.00 C ATOM 591 C PRO A 280 -13.494 0.474 -1.940 1.00 0.00 C ATOM 592 O PRO A 280 -12.424 0.759 -1.406 1.00 0.00 O ATOM 593 CB PRO A 280 -14.090 -1.990 -1.920 1.00 0.00 C ATOM 594 CG PRO A 280 -12.782 -2.697 -1.572 1.00 0.00 C ATOM 595 CD PRO A 280 -11.894 -2.411 -2.771 1.00 0.00 C ATOM 0 HA PRO A 280 -14.410 -0.541 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.617 -1.664 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.766 -2.649 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.349 -2.309 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.930 -3.767 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.860 -2.269 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -11.904 -3.251 -3.466 1.00 0.00 H new ATOM 603 N ASP A 281 -14.588 1.223 -1.783 1.00 0.00 N ATOM 604 CA ASP A 281 -14.657 2.440 -0.962 1.00 0.00 C ATOM 605 C ASP A 281 -14.794 2.162 0.547 1.00 0.00 C ATOM 606 O ASP A 281 -14.625 3.065 1.365 1.00 0.00 O ATOM 607 CB ASP A 281 -15.796 3.326 -1.477 1.00 0.00 C ATOM 608 CG ASP A 281 -17.199 2.744 -1.224 1.00 0.00 C ATOM 609 OD1 ASP A 281 -17.528 1.687 -1.816 1.00 0.00 O ATOM 610 OD2 ASP A 281 -17.975 3.361 -0.456 1.00 0.00 O ATOM 0 H ASP A 281 -15.474 0.996 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.705 2.961 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -15.727 4.304 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -15.666 3.483 -2.548 1.00 0.00 H new ATOM 615 N ASN A 282 -15.029 0.901 0.911 1.00 0.00 N ATOM 616 CA ASN A 282 -15.029 0.382 2.281 1.00 0.00 C ATOM 617 C ASN A 282 -13.851 -0.589 2.511 1.00 0.00 C ATOM 618 O ASN A 282 -13.928 -1.473 3.368 1.00 0.00 O ATOM 619 CB ASN A 282 -16.400 -0.255 2.573 1.00 0.00 C ATOM 620 CG ASN A 282 -17.532 0.768 2.540 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.577 1.702 3.334 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.488 0.617 1.639 1.00 0.00 N ATOM 0 H ASN A 282 -15.235 0.176 0.224 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.878 1.198 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.598 -1.037 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.375 -0.734 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.264 1.278 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.449 -0.160 0.979 1.00 0.00 H new ATOM 629 N TRP A 283 -12.763 -0.449 1.736 1.00 0.00 N ATOM 630 CA TRP A 283 -11.511 -1.184 1.962 1.00 0.00 C ATOM 631 C TRP A 283 -10.990 -1.004 3.404 1.00 0.00 C ATOM 632 O TRP A 283 -10.954 0.107 3.926 1.00 0.00 O ATOM 633 CB TRP A 283 -10.438 -0.753 0.950 1.00 0.00 C ATOM 634 CG TRP A 283 -9.243 -1.648 0.962 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.041 -2.705 0.143 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.129 -1.645 1.904 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.908 -3.386 0.542 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.325 -2.793 1.642 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.746 -0.819 2.987 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.219 -3.116 2.436 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.640 -1.137 3.790 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.892 -2.291 3.520 1.00 0.00 C ATOM 0 H TRP A 283 -12.729 0.179 0.933 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.728 -2.243 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.870 -0.744 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.125 0.267 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.669 -2.975 -0.694 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.548 -4.222 0.081 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.316 0.073 3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.625 -3.991 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.366 -0.494 4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.056 -2.547 4.154 1.00 0.00 H new ATOM 653 N SER A 284 -10.541 -2.088 4.031 1.00 0.00 N ATOM 654 CA SER A 284 -10.000 -2.130 5.397 1.00 0.00 C ATOM 655 C SER A 284 -8.828 -3.118 5.480 1.00 0.00 C ATOM 656 O SER A 284 -8.612 -3.892 4.544 1.00 0.00 O ATOM 657 CB SER A 284 -11.103 -2.541 6.386 1.00 0.00 C ATOM 658 OG SER A 284 -11.585 -3.858 6.129 1.00 0.00 O ATOM 0 H SER A 284 -10.542 -3.005 3.585 1.00 0.00 H new ATOM 0 HA SER A 284 -9.637 -1.136 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.716 -2.488 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.930 -1.833 6.322 1.00 0.00 H new ATOM 0 HG SER A 284 -12.283 -4.083 6.779 1.00 0.00 H new ATOM 664 N CYS A 285 -8.094 -3.141 6.599 1.00 0.00 N ATOM 665 CA CYS A 285 -6.978 -4.075 6.806 1.00 0.00 C ATOM 666 C CYS A 285 -7.371 -5.553 6.545 1.00 0.00 C ATOM 667 O CYS A 285 -6.555 -6.340 6.069 1.00 0.00 O ATOM 668 CB CYS A 285 -6.432 -3.946 8.237 1.00 0.00 C ATOM 669 SG CYS A 285 -5.889 -2.265 8.658 1.00 0.00 S ATOM 0 H CYS A 285 -8.256 -2.514 7.387 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.211 -3.803 6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.204 -4.257 8.941 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.594 -4.631 8.360 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.896 -1.448 8.564 1.00 0.00 H new ATOM 674 N ASP A 286 -8.632 -5.926 6.800 1.00 0.00 N ATOM 675 CA ASP A 286 -9.199 -7.261 6.536 1.00 0.00 C ATOM 676 C ASP A 286 -9.262 -7.626 5.035 1.00 0.00 C ATOM 677 O ASP A 286 -9.435 -8.793 4.679 1.00 0.00 O ATOM 678 CB ASP A 286 -10.594 -7.321 7.181 1.00 0.00 C ATOM 679 CG ASP A 286 -11.220 -8.726 7.144 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.708 -9.631 7.845 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.248 -8.910 6.446 1.00 0.00 O ATOM 0 H ASP A 286 -9.312 -5.286 7.210 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.535 -8.005 6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.523 -6.989 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.255 -6.622 6.668 1.00 0.00 H new ATOM 686 N GLN A 287 -9.085 -6.642 4.150 1.00 0.00 N ATOM 687 CA GLN A 287 -9.122 -6.755 2.690 1.00 0.00 C ATOM 688 C GLN A 287 -7.711 -6.640 2.066 1.00 0.00 C ATOM 689 O GLN A 287 -7.575 -6.477 0.850 1.00 0.00 O ATOM 690 CB GLN A 287 -10.113 -5.700 2.158 1.00 0.00 C ATOM 691 CG GLN A 287 -11.562 -6.029 2.562 1.00 0.00 C ATOM 692 CD GLN A 287 -12.505 -4.843 2.390 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.986 -4.543 1.307 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.794 -4.114 3.447 1.00 0.00 N ATOM 0 H GLN A 287 -8.901 -5.686 4.453 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.471 -7.745 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.841 -4.717 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.041 -5.647 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.922 -6.864 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.580 -6.354 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.399 -4.355 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.413 -3.309 3.357 1.00 0.00 H new ATOM 703 N ASN A 288 -6.653 -6.738 2.879 1.00 0.00 N ATOM 704 CA ASN A 288 -5.258 -6.742 2.424 1.00 0.00 C ATOM 705 C ASN A 288 -4.852 -8.049 1.719 1.00 0.00 C ATOM 706 O ASN A 288 -5.393 -9.125 2.003 1.00 0.00 O ATOM 707 CB ASN A 288 -4.329 -6.460 3.620 1.00 0.00 C ATOM 708 CG ASN A 288 -2.965 -5.946 3.172 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.865 -5.074 2.321 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.880 -6.491 3.685 1.00 0.00 N ATOM 0 H ASN A 288 -6.744 -6.818 3.892 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.158 -5.954 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.796 -5.726 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.200 -7.372 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.959 -6.185 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.962 -7.219 4.395 1.00 0.00 H new ATOM 717 N THR A 289 -3.850 -7.961 0.834 1.00 0.00 N ATOM 718 CA THR A 289 -3.279 -9.100 0.093 1.00 0.00 C ATOM 719 C THR A 289 -2.154 -9.800 0.847 1.00 0.00 C ATOM 720 O THR A 289 -1.825 -10.941 0.523 1.00 0.00 O ATOM 721 CB THR A 289 -2.772 -8.644 -1.278 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.898 -7.547 -1.112 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.922 -8.210 -2.183 1.00 0.00 C ATOM 0 H THR A 289 -3.401 -7.074 0.606 1.00 0.00 H new ATOM 0 HA THR A 289 -4.085 -9.823 -0.028 1.00 0.00 H new ATOM 0 HB THR A 289 -2.258 -9.486 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.571 -7.254 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.526 -7.893 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.606 -9.046 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.457 -7.381 -1.720 1.00 0.00 H new ATOM 731 N ASP A 290 -1.586 -9.150 1.864 1.00 0.00 N ATOM 732 CA ASP A 290 -0.445 -9.634 2.642 1.00 0.00 C ATOM 733 C ASP A 290 -0.874 -10.015 4.070 1.00 0.00 C ATOM 734 O ASP A 290 -1.292 -9.162 4.854 1.00 0.00 O ATOM 735 CB ASP A 290 0.671 -8.567 2.640 1.00 0.00 C ATOM 736 CG ASP A 290 2.011 -9.136 2.141 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.398 -10.236 2.598 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.663 -8.486 1.290 1.00 0.00 O ATOM 0 H ASP A 290 -1.920 -8.239 2.180 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.052 -10.540 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.373 -7.732 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.797 -8.173 3.648 1.00 0.00 H new ATOM 743 N VAL A 291 -0.748 -11.303 4.406 1.00 0.00 N ATOM 744 CA VAL A 291 -1.221 -11.902 5.678 1.00 0.00 C ATOM 745 C VAL A 291 -0.483 -11.378 6.918 1.00 0.00 C ATOM 746 O VAL A 291 -0.970 -11.501 8.040 1.00 0.00 O ATOM 747 CB VAL A 291 -1.137 -13.446 5.670 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.995 -14.029 4.537 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.312 -13.957 5.544 1.00 0.00 C ATOM 0 H VAL A 291 -0.303 -11.984 3.790 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.264 -11.593 5.745 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.523 -13.785 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.922 -15.117 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.034 -13.733 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.638 -13.652 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.315 -15.047 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.747 -13.592 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.901 -13.593 6.386 1.00 0.00 H new ATOM 759 N GLN A 292 0.686 -10.773 6.703 1.00 0.00 N ATOM 760 CA GLN A 292 1.500 -10.121 7.728 1.00 0.00 C ATOM 761 C GLN A 292 0.875 -8.822 8.256 1.00 0.00 C ATOM 762 O GLN A 292 1.245 -8.382 9.342 1.00 0.00 O ATOM 763 CB GLN A 292 2.931 -9.904 7.203 1.00 0.00 C ATOM 764 CG GLN A 292 3.035 -9.554 5.710 1.00 0.00 C ATOM 765 CD GLN A 292 4.416 -9.039 5.297 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.578 -7.917 4.833 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.465 -9.825 5.443 1.00 0.00 N ATOM 0 H GLN A 292 1.107 -10.722 5.775 1.00 0.00 H new ATOM 0 HA GLN A 292 1.542 -10.788 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.395 -9.104 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.510 -10.809 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.795 -10.439 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.287 -8.798 5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.350 -10.763 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.391 -9.495 5.171 1.00 0.00 H new ATOM 776 N TYR A 293 -0.095 -8.239 7.535 1.00 0.00 N ATOM 777 CA TYR A 293 -0.788 -6.994 7.912 1.00 0.00 C ATOM 778 C TYR A 293 -2.289 -7.004 7.552 1.00 0.00 C ATOM 779 O TYR A 293 -2.895 -5.957 7.320 1.00 0.00 O ATOM 780 CB TYR A 293 -0.049 -5.776 7.330 1.00 0.00 C ATOM 781 CG TYR A 293 1.370 -5.600 7.831 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.600 -4.858 9.004 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.451 -6.209 7.168 1.00 0.00 C ATOM 784 CE1 TYR A 293 2.899 -4.728 9.523 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.750 -6.113 7.697 1.00 0.00 C ATOM 786 CZ TYR A 293 3.980 -5.376 8.882 1.00 0.00 C ATOM 787 OH TYR A 293 5.232 -5.311 9.412 1.00 0.00 O ATOM 0 H TYR A 293 -0.428 -8.628 6.653 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.760 -6.919 8.999 1.00 0.00 H new ATOM 0 HB2 TYR A 293 -0.028 -5.865 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.618 -4.876 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.771 -4.385 9.510 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.282 -6.752 6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.071 -4.135 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.573 -6.603 7.198 1.00 0.00 H new ATOM 0 HH TYR A 293 5.854 -5.813 8.845 1.00 0.00 H new ATOM 797 N ASN A 294 -2.906 -8.190 7.511 1.00 0.00 N ATOM 798 CA ASN A 294 -4.304 -8.386 7.101 1.00 0.00 C ATOM 799 C ASN A 294 -5.342 -8.203 8.236 1.00 0.00 C ATOM 800 O ASN A 294 -6.464 -8.708 8.143 1.00 0.00 O ATOM 801 CB ASN A 294 -4.454 -9.723 6.358 1.00 0.00 C ATOM 802 CG ASN A 294 -4.458 -10.956 7.264 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.072 -10.920 8.426 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.907 -12.089 6.753 1.00 0.00 N ATOM 0 H ASN A 294 -2.439 -9.060 7.767 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.544 -7.577 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.382 -9.705 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.640 -9.818 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.932 -12.932 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.229 -12.120 5.786 1.00 0.00 H new ATOM 811 N ARG A 295 -4.965 -7.513 9.321 1.00 0.00 N ATOM 812 CA ARG A 295 -5.800 -7.247 10.498 1.00 0.00 C ATOM 813 C ARG A 295 -5.566 -5.852 11.067 1.00 0.00 C ATOM 814 O ARG A 295 -4.426 -5.425 11.243 1.00 0.00 O ATOM 815 CB ARG A 295 -5.483 -8.270 11.597 1.00 0.00 C ATOM 816 CG ARG A 295 -6.372 -9.513 11.519 1.00 0.00 C ATOM 817 CD ARG A 295 -5.932 -10.506 12.596 1.00 0.00 C ATOM 818 NE ARG A 295 -6.844 -11.660 12.671 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.739 -12.694 13.499 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.760 -12.790 14.377 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.632 -13.658 13.456 1.00 0.00 N ATOM 0 H ARG A 295 -4.032 -7.109 9.405 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.839 -7.322 10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.438 -8.570 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.607 -7.800 12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.417 -9.239 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.296 -9.969 10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.921 -10.853 12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.898 -10.004 13.563 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.633 -11.666 12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -5.053 -12.057 14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.709 -13.598 14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.402 -13.611 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.555 -14.453 14.090 1.00 0.00 H new ATOM 835 N CYS A 296 -6.653 -5.207 11.474 1.00 0.00 N ATOM 836 CA CYS A 296 -6.684 -3.905 12.136 1.00 0.00 C ATOM 837 C CYS A 296 -5.961 -3.835 13.498 1.00 0.00 C ATOM 838 O CYS A 296 -5.640 -2.747 13.981 1.00 0.00 O ATOM 839 CB CYS A 296 -8.164 -3.557 12.305 1.00 0.00 C ATOM 840 SG CYS A 296 -8.779 -2.727 10.819 1.00 0.00 S ATOM 0 H CYS A 296 -7.586 -5.597 11.345 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.136 -3.195 11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.740 -4.464 12.490 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.297 -2.912 13.173 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.787 -2.488 10.013 1.00 0.00 H new ATOM 845 N ASP A 297 -5.671 -4.988 14.101 1.00 0.00 N ATOM 846 CA ASP A 297 -4.982 -5.111 15.388 1.00 0.00 C ATOM 847 C ASP A 297 -3.458 -5.227 15.197 1.00 0.00 C ATOM 848 O ASP A 297 -2.701 -5.305 16.165 1.00 0.00 O ATOM 849 CB ASP A 297 -5.601 -6.305 16.126 1.00 0.00 C ATOM 850 CG ASP A 297 -5.142 -6.421 17.591 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.400 -5.479 18.380 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.565 -7.472 17.960 1.00 0.00 O ATOM 0 H ASP A 297 -5.916 -5.891 13.695 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.117 -4.215 15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.687 -6.216 16.099 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.343 -7.223 15.598 1.00 0.00 H new ATOM 857 N ILE A 298 -3.003 -5.208 13.937 1.00 0.00 N ATOM 858 CA ILE A 298 -1.592 -5.242 13.553 1.00 0.00 C ATOM 859 C ILE A 298 -1.113 -3.806 13.285 1.00 0.00 C ATOM 860 O ILE A 298 -1.782 -3.083 12.533 1.00 0.00 O ATOM 861 CB ILE A 298 -1.357 -6.151 12.327 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.922 -7.557 12.609 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.143 -6.220 12.008 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.710 -8.577 11.485 1.00 0.00 C ATOM 0 H ILE A 298 -3.630 -5.167 13.134 1.00 0.00 H new ATOM 0 HA ILE A 298 -1.012 -5.669 14.371 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.873 -5.736 11.461 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.462 -7.941 13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.991 -7.470 12.804 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.302 -6.863 11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.515 -5.219 11.790 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.679 -6.627 12.865 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.141 -9.535 11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.195 -8.222 10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.643 -8.701 11.302 1.00 0.00 H new ATOM 876 N PRO A 299 0.039 -3.400 13.846 1.00 0.00 N ATOM 877 CA PRO A 299 0.603 -2.065 13.685 1.00 0.00 C ATOM 878 C PRO A 299 0.970 -1.754 12.230 1.00 0.00 C ATOM 879 O PRO A 299 1.118 -2.652 11.405 1.00 0.00 O ATOM 880 CB PRO A 299 1.828 -2.040 14.602 1.00 0.00 C ATOM 881 CG PRO A 299 2.250 -3.501 14.723 1.00 0.00 C ATOM 882 CD PRO A 299 0.919 -4.238 14.649 1.00 0.00 C ATOM 0 HA PRO A 299 -0.120 -1.294 13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.627 -1.431 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.585 -1.616 15.576 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.923 -3.797 13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.770 -3.696 15.661 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.042 -5.221 14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.505 -4.396 15.645 1.00 0.00 H new ATOM 890 N GLU A 300 1.101 -0.467 11.907 1.00 0.00 N ATOM 891 CA GLU A 300 1.405 0.022 10.571 1.00 0.00 C ATOM 892 C GLU A 300 2.832 -0.366 10.125 1.00 0.00 C ATOM 893 O GLU A 300 3.793 -0.233 10.888 1.00 0.00 O ATOM 894 CB GLU A 300 1.202 1.546 10.578 1.00 0.00 C ATOM 895 CG GLU A 300 0.823 2.031 9.184 1.00 0.00 C ATOM 896 CD GLU A 300 0.773 3.559 9.050 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.636 4.272 9.616 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.141 4.047 8.349 1.00 0.00 O ATOM 0 H GLU A 300 0.995 0.282 12.591 1.00 0.00 H new ATOM 0 HA GLU A 300 0.737 -0.441 9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.420 1.813 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.116 2.041 10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.541 1.636 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.152 1.621 8.920 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.009 5.351 1.322 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.134 6.252 0.549 1.00 0.00 C ATOM 1029 C ARG B 2 -7.075 5.441 -0.193 1.00 0.00 C ATOM 1030 O ARG B 2 -6.703 4.347 0.244 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.465 7.300 1.457 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.164 8.622 0.728 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.660 9.704 1.694 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.750 10.233 2.535 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.618 10.956 3.643 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.439 11.281 4.132 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.691 11.376 4.278 1.00 0.00 N ATOM 0 HA ARG B 2 -8.751 6.784 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -8.114 7.501 2.310 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.536 6.890 1.853 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.416 8.448 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.065 8.974 0.226 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.878 9.289 2.330 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.210 10.518 1.126 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.702 10.023 2.236 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.589 10.976 3.658 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.376 11.837 4.985 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.618 11.147 3.920 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.596 11.931 5.128 1.00 0.00 H new ATOM 1051 N THR B 3 -6.577 6.000 -1.291 1.00 0.00 N ATOM 1052 CA THR B 3 -5.608 5.379 -2.200 1.00 0.00 C ATOM 1053 C THR B 3 -4.535 6.380 -2.575 1.00 0.00 C ATOM 1054 O THR B 3 -4.825 7.529 -2.910 1.00 0.00 O ATOM 1055 CB THR B 3 -6.291 4.838 -3.464 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.286 5.727 -3.929 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.934 3.482 -3.184 1.00 0.00 C ATOM 0 H THR B 3 -6.846 6.938 -1.588 1.00 0.00 H new ATOM 0 HA THR B 3 -5.151 4.537 -1.681 1.00 0.00 H new ATOM 0 HB THR B 3 -5.522 4.733 -4.230 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.703 5.358 -4.736 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.414 3.113 -4.090 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.168 2.775 -2.865 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.680 3.589 -2.396 1.00 0.00 H new