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= 0.448 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.1 K(o=1.6,f=1) USER MOD Set 2.1: A 259 CYS SG : rot -175:sc= 1.13 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.22 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -106:sc= 1.4 (180deg=-0.102) USER MOD Set 2.4: A 285 CYS SG : rot 59:sc= 3.06 USER MOD Set 2.5: A 296 CYS SG : rot -8:sc= 1.25 USER MOD Single : A 258 GLN : amide:sc= 0.866 K(o=0.87,f=-2.8!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.69) USER MOD Single : A 277 SER OG : rot -35:sc= 0.00455 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.29) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0034 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= -0.137 K(o=-0.14,f=-1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.416 0.571 -5.106 1.00 0.00 N ATOM 195 CA VAL A 255 0.104 1.095 -4.685 1.00 0.00 C ATOM 196 C VAL A 255 -0.083 0.874 -3.181 1.00 0.00 C ATOM 197 O VAL A 255 0.128 -0.232 -2.681 1.00 0.00 O ATOM 198 CB VAL A 255 -1.049 0.426 -5.476 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.424 1.006 -5.098 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.848 0.580 -6.996 1.00 0.00 C ATOM 0 HA VAL A 255 0.076 2.164 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.027 -0.630 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.201 0.507 -5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.606 0.848 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.440 2.074 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.673 0.100 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.820 1.639 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.091 0.110 -7.288 1.00 0.00 H new ATOM 210 N TRP A 256 -0.511 1.921 -2.471 1.00 0.00 N ATOM 211 CA TRP A 256 -0.850 1.882 -1.045 1.00 0.00 C ATOM 212 C TRP A 256 -2.329 2.255 -0.822 1.00 0.00 C ATOM 213 O TRP A 256 -2.867 3.144 -1.487 1.00 0.00 O ATOM 214 CB TRP A 256 0.074 2.825 -0.254 1.00 0.00 C ATOM 215 CG TRP A 256 1.508 2.422 -0.089 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.492 2.638 -0.990 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.152 1.735 1.035 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.690 2.162 -0.496 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.533 1.557 0.727 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.709 1.219 2.273 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.421 0.878 1.574 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.579 0.491 3.110 1.00 0.00 C ATOM 223 CH2 TRP A 256 3.932 0.327 2.768 1.00 0.00 C ATOM 0 H TRP A 256 -0.635 2.846 -2.883 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.702 0.865 -0.683 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.054 3.800 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.353 2.957 0.740 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.361 3.112 -1.952 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.583 2.249 -0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.688 1.385 2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.464 0.781 1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.202 0.055 4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.593 -0.222 3.422 1.00 0.00 H new ATOM 234 N VAL A 257 -2.968 1.592 0.143 1.00 0.00 N ATOM 235 CA VAL A 257 -4.398 1.744 0.488 1.00 0.00 C ATOM 236 C VAL A 257 -4.568 2.053 1.968 1.00 0.00 C ATOM 237 O VAL A 257 -3.925 1.420 2.802 1.00 0.00 O ATOM 238 CB VAL A 257 -5.221 0.477 0.153 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.667 0.505 -1.304 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.469 -0.834 0.438 1.00 0.00 C ATOM 0 H VAL A 257 -2.494 0.907 0.732 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.771 2.572 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.088 0.495 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.245 -0.392 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.284 1.386 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.791 0.541 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.104 -1.681 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.558 -0.868 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.211 -0.883 1.496 1.00 0.00 H new ATOM 250 N GLN A 258 -5.429 3.023 2.284 1.00 0.00 N ATOM 251 CA GLN A 258 -5.734 3.421 3.657 1.00 0.00 C ATOM 252 C GLN A 258 -7.004 2.720 4.165 1.00 0.00 C ATOM 253 O GLN A 258 -8.038 2.711 3.489 1.00 0.00 O ATOM 254 CB GLN A 258 -5.873 4.946 3.761 1.00 0.00 C ATOM 255 CG GLN A 258 -5.916 5.426 5.226 1.00 0.00 C ATOM 256 CD GLN A 258 -5.807 6.950 5.374 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.437 7.728 4.671 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.025 7.453 6.306 1.00 0.00 N ATOM 0 H GLN A 258 -5.940 3.560 1.583 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.904 3.110 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.037 5.422 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.782 5.262 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.847 5.090 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.102 4.956 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.486 6.832 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.958 8.464 6.425 1.00 0.00 H new ATOM 267 N CYS A 259 -6.919 2.163 5.377 1.00 0.00 N ATOM 268 CA CYS A 259 -8.015 1.515 6.089 1.00 0.00 C ATOM 269 C CYS A 259 -9.252 2.428 6.218 1.00 0.00 C ATOM 270 O CYS A 259 -9.133 3.618 6.527 1.00 0.00 O ATOM 271 CB CYS A 259 -7.465 1.116 7.464 1.00 0.00 C ATOM 272 SG CYS A 259 -8.592 -0.062 8.260 1.00 0.00 S ATOM 0 H CYS A 259 -6.047 2.153 5.907 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.362 0.642 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.476 0.670 7.355 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.348 2.001 8.090 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.172 -0.319 9.463 1.00 0.00 H new ATOM 277 N SER A 260 -10.447 1.874 5.996 1.00 0.00 N ATOM 278 CA SER A 260 -11.720 2.616 6.082 1.00 0.00 C ATOM 279 C SER A 260 -12.056 3.076 7.518 1.00 0.00 C ATOM 280 O SER A 260 -12.719 4.103 7.708 1.00 0.00 O ATOM 281 CB SER A 260 -12.866 1.806 5.459 1.00 0.00 C ATOM 282 OG SER A 260 -14.099 2.512 5.486 1.00 0.00 O ATOM 0 H SER A 260 -10.565 0.891 5.749 1.00 0.00 H new ATOM 0 HA SER A 260 -11.594 3.530 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 260 -12.614 1.557 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.977 0.864 5.996 1.00 0.00 H new ATOM 0 HG SER A 260 -14.800 1.962 5.079 1.00 0.00 H new ATOM 288 N PHE A 261 -11.560 2.376 8.549 1.00 0.00 N ATOM 289 CA PHE A 261 -11.790 2.759 9.938 1.00 0.00 C ATOM 290 C PHE A 261 -10.970 3.996 10.345 1.00 0.00 C ATOM 291 O PHE A 261 -9.760 4.041 10.098 1.00 0.00 O ATOM 292 CB PHE A 261 -11.502 1.589 10.880 1.00 0.00 C ATOM 293 CG PHE A 261 -12.442 0.415 10.728 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.770 0.520 11.182 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.986 -0.791 10.161 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.642 -0.577 11.060 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.851 -1.891 10.057 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.184 -1.781 10.495 1.00 0.00 C ATOM 0 H PHE A 261 -10.993 1.535 8.438 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.843 3.027 10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.482 1.245 10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.551 1.947 11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.119 1.442 11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.969 -0.869 9.806 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.664 -0.495 11.400 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.494 -2.822 9.641 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.855 -2.621 10.397 1.00 0.00 H new ATOM 308 N PRO A 262 -11.603 4.972 11.027 1.00 0.00 N ATOM 309 CA PRO A 262 -10.966 6.210 11.466 1.00 0.00 C ATOM 310 C PRO A 262 -9.985 5.983 12.625 1.00 0.00 C ATOM 311 O PRO A 262 -8.968 6.667 12.714 1.00 0.00 O ATOM 312 CB PRO A 262 -12.131 7.104 11.891 1.00 0.00 C ATOM 313 CG PRO A 262 -13.205 6.128 12.370 1.00 0.00 C ATOM 314 CD PRO A 262 -12.999 4.937 11.445 1.00 0.00 C ATOM 0 HA PRO A 262 -10.362 6.654 10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.836 7.791 12.684 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.489 7.712 11.060 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -13.070 5.857 13.417 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.207 6.547 12.276 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.226 4.003 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.663 4.996 10.583 1.00 0.00 H new ATOM 322 N ASN A 263 -10.259 4.992 13.481 1.00 0.00 N ATOM 323 CA ASN A 263 -9.365 4.545 14.557 1.00 0.00 C ATOM 324 C ASN A 263 -8.143 3.735 14.055 1.00 0.00 C ATOM 325 O ASN A 263 -7.230 3.456 14.837 1.00 0.00 O ATOM 326 CB ASN A 263 -10.191 3.764 15.595 1.00 0.00 C ATOM 327 CG ASN A 263 -10.843 2.508 15.016 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.179 1.542 14.665 1.00 0.00 O ATOM 329 ND2 ASN A 263 -12.159 2.492 14.878 1.00 0.00 N ATOM 0 H ASN A 263 -11.131 4.465 13.444 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.930 5.429 15.023 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.546 3.481 16.427 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.966 4.415 16.000 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.620 1.674 14.479 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.712 3.297 15.171 1.00 0.00 H new ATOM 336 N CYS A 264 -8.108 3.403 12.758 1.00 0.00 N ATOM 337 CA CYS A 264 -6.984 2.780 12.066 1.00 0.00 C ATOM 338 C CYS A 264 -6.231 3.856 11.265 1.00 0.00 C ATOM 339 O CYS A 264 -5.192 4.356 11.701 1.00 0.00 O ATOM 340 CB CYS A 264 -7.526 1.649 11.171 1.00 0.00 C ATOM 341 SG CYS A 264 -6.471 0.182 11.212 1.00 0.00 S ATOM 0 H CYS A 264 -8.901 3.571 12.139 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.276 2.341 12.769 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.531 1.381 11.496 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.608 2.007 10.145 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.201 -0.882 11.051 1.00 0.00 H new ATOM 346 N GLY A 265 -6.771 4.216 10.091 1.00 0.00 N ATOM 347 CA GLY A 265 -6.155 5.140 9.147 1.00 0.00 C ATOM 348 C GLY A 265 -4.823 4.630 8.600 1.00 0.00 C ATOM 349 O GLY A 265 -4.042 5.422 8.076 1.00 0.00 O ATOM 0 H GLY A 265 -7.671 3.859 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.840 5.314 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.997 6.101 9.637 1.00 0.00 H new ATOM 353 N LYS A 266 -4.547 3.329 8.739 1.00 0.00 N ATOM 354 CA LYS A 266 -3.265 2.723 8.383 1.00 0.00 C ATOM 355 C LYS A 266 -3.126 2.527 6.878 1.00 0.00 C ATOM 356 O LYS A 266 -4.086 2.126 6.218 1.00 0.00 O ATOM 357 CB LYS A 266 -3.105 1.368 9.075 1.00 0.00 C ATOM 358 CG LYS A 266 -2.966 1.507 10.584 1.00 0.00 C ATOM 359 CD LYS A 266 -2.793 0.100 11.146 1.00 0.00 C ATOM 360 CE LYS A 266 -2.755 0.114 12.667 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.074 0.476 13.251 1.00 0.00 N ATOM 0 H LYS A 266 -5.221 2.659 9.108 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.486 3.409 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.967 0.741 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.227 0.859 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.109 2.131 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.847 1.987 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.613 -0.533 10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.872 -0.337 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.454 -0.868 13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.001 0.825 13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.035 1.447 13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.808 0.415 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.303 -0.180 14.024 1.00 0.00 H new ATOM 375 N TRP A 267 -1.921 2.727 6.348 1.00 0.00 N ATOM 376 CA TRP A 267 -1.589 2.436 4.957 1.00 0.00 C ATOM 377 C TRP A 267 -0.939 1.051 4.846 1.00 0.00 C ATOM 378 O TRP A 267 0.034 0.759 5.544 1.00 0.00 O ATOM 379 CB TRP A 267 -0.699 3.552 4.399 1.00 0.00 C ATOM 380 CG TRP A 267 -1.370 4.887 4.295 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.430 5.817 5.270 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.106 5.451 3.167 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.109 6.930 4.815 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.543 6.764 3.517 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.459 4.975 1.890 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.261 7.577 2.623 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.191 5.775 0.993 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.574 7.080 1.347 1.00 0.00 C ATOM 0 H TRP A 267 -1.137 3.101 6.882 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.496 2.407 4.354 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.181 3.650 5.035 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.347 3.258 3.410 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.010 5.708 6.259 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.270 7.770 5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.163 3.979 1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.568 8.571 2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.461 5.382 0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.107 7.699 0.640 1.00 0.00 H new ATOM 399 N ARG A 268 -1.475 0.211 3.954 1.00 0.00 N ATOM 400 CA ARG A 268 -0.929 -1.105 3.600 1.00 0.00 C ATOM 401 C ARG A 268 -0.572 -1.131 2.106 1.00 0.00 C ATOM 402 O ARG A 268 -1.259 -0.496 1.294 1.00 0.00 O ATOM 403 CB ARG A 268 -1.937 -2.225 3.919 1.00 0.00 C ATOM 404 CG ARG A 268 -2.643 -2.171 5.287 1.00 0.00 C ATOM 405 CD ARG A 268 -1.730 -2.185 6.510 1.00 0.00 C ATOM 406 NE ARG A 268 -2.535 -2.396 7.724 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.093 -2.577 8.957 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.834 -2.411 9.295 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.942 -2.917 9.886 1.00 0.00 N ATOM 0 H ARG A 268 -2.328 0.435 3.442 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.031 -1.277 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.703 -2.220 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.415 -3.179 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.253 -1.269 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.324 -3.019 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -0.986 -2.976 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.186 -1.243 6.581 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.547 -2.403 7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.150 -2.130 8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.541 -2.563 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.928 -3.039 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.620 -3.061 10.843 1.00 0.00 H new ATOM 423 N ARG A 269 0.508 -1.838 1.761 1.00 0.00 N ATOM 424 CA ARG A 269 0.990 -2.029 0.384 1.00 0.00 C ATOM 425 C ARG A 269 0.205 -3.129 -0.347 1.00 0.00 C ATOM 426 O ARG A 269 -0.331 -4.037 0.286 1.00 0.00 O ATOM 427 CB ARG A 269 2.498 -2.342 0.381 1.00 0.00 C ATOM 428 CG ARG A 269 2.875 -3.622 1.138 1.00 0.00 C ATOM 429 CD ARG A 269 4.372 -3.938 1.013 1.00 0.00 C ATOM 430 NE ARG A 269 4.640 -5.364 1.266 1.00 0.00 N ATOM 431 CZ ARG A 269 5.821 -5.963 1.306 1.00 0.00 C ATOM 432 NH1 ARG A 269 6.959 -5.304 1.224 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.847 -7.270 1.412 1.00 0.00 N ATOM 0 H ARG A 269 1.092 -2.309 2.452 1.00 0.00 H new ATOM 0 HA ARG A 269 0.824 -1.097 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.838 -2.430 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 269 3.033 -1.501 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.613 -3.512 2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 269 2.293 -4.458 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.720 -3.672 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.935 -3.329 1.720 1.00 0.00 H new ATOM 0 HE ARG A 269 3.826 -5.956 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 269 6.954 -4.289 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 269 7.844 -5.809 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 269 4.974 -7.795 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 269 6.740 -7.761 1.445 1.00 0.00 H new ATOM 447 N LEU A 270 0.194 -3.065 -1.680 1.00 0.00 N ATOM 448 CA LEU A 270 -0.486 -4.001 -2.585 1.00 0.00 C ATOM 449 C LEU A 270 0.430 -4.466 -3.727 1.00 0.00 C ATOM 450 O LEU A 270 1.475 -3.869 -3.998 1.00 0.00 O ATOM 451 CB LEU A 270 -1.735 -3.324 -3.181 1.00 0.00 C ATOM 452 CG LEU A 270 -2.822 -2.898 -2.181 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.958 -2.258 -2.983 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.400 -4.057 -1.356 1.00 0.00 C ATOM 0 H LEU A 270 0.682 -2.325 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.768 -4.878 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.414 -2.441 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.183 -4.007 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.362 -2.212 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.750 -1.942 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.578 -1.392 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.356 -2.983 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.160 -3.675 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.849 -4.792 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.602 -4.528 -0.782 1.00 0.00 H new ATOM 529 N PRO A 276 -5.923 1.152 -7.935 1.00 0.00 N ATOM 530 CA PRO A 276 -6.826 1.748 -6.957 1.00 0.00 C ATOM 531 C PRO A 276 -8.202 2.149 -7.518 1.00 0.00 C ATOM 532 O PRO A 276 -9.126 2.373 -6.739 1.00 0.00 O ATOM 533 CB PRO A 276 -6.067 2.938 -6.369 1.00 0.00 C ATOM 534 CG PRO A 276 -5.060 3.314 -7.451 1.00 0.00 C ATOM 535 CD PRO A 276 -4.735 1.979 -8.110 1.00 0.00 C ATOM 0 HA PRO A 276 -7.085 1.011 -6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.739 3.767 -6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.569 2.671 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.482 4.022 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.170 3.780 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.502 2.111 -9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.864 1.516 -7.647 1.00 0.00 H new ATOM 543 N SER A 277 -8.380 2.182 -8.845 1.00 0.00 N ATOM 544 CA SER A 277 -9.682 2.394 -9.501 1.00 0.00 C ATOM 545 C SER A 277 -10.589 1.139 -9.474 1.00 0.00 C ATOM 546 O SER A 277 -11.790 1.250 -9.731 1.00 0.00 O ATOM 547 CB SER A 277 -9.457 2.895 -10.941 1.00 0.00 C ATOM 548 OG SER A 277 -10.603 3.550 -11.473 1.00 0.00 O ATOM 0 H SER A 277 -7.613 2.060 -9.506 1.00 0.00 H new ATOM 0 HA SER A 277 -10.218 3.153 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.610 3.581 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.195 2.051 -11.580 1.00 0.00 H new ATOM 0 HG SER A 277 -11.414 3.114 -11.138 1.00 0.00 H new ATOM 554 N VAL A 278 -10.057 -0.045 -9.114 1.00 0.00 N ATOM 555 CA VAL A 278 -10.826 -1.311 -9.002 1.00 0.00 C ATOM 556 C VAL A 278 -10.890 -1.868 -7.564 1.00 0.00 C ATOM 557 O VAL A 278 -11.111 -3.064 -7.368 1.00 0.00 O ATOM 558 CB VAL A 278 -10.385 -2.383 -10.035 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.529 -1.857 -11.473 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.953 -2.902 -9.829 1.00 0.00 C ATOM 0 H VAL A 278 -9.068 -0.156 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.851 -1.043 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.057 -3.225 -9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.213 -2.628 -12.176 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.570 -1.597 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.905 -0.972 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.723 -3.647 -10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.250 -2.072 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.869 -3.355 -8.841 1.00 0.00 H new ATOM 570 N LEU A 279 -10.721 -1.007 -6.549 1.00 0.00 N ATOM 571 CA LEU A 279 -10.797 -1.364 -5.123 1.00 0.00 C ATOM 572 C LEU A 279 -12.050 -0.773 -4.436 1.00 0.00 C ATOM 573 O LEU A 279 -12.560 0.261 -4.885 1.00 0.00 O ATOM 574 CB LEU A 279 -9.497 -0.921 -4.420 1.00 0.00 C ATOM 575 CG LEU A 279 -8.258 -1.736 -4.846 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.990 -1.116 -4.256 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.359 -3.190 -4.353 1.00 0.00 C ATOM 0 H LEU A 279 -10.523 -0.018 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.897 -2.446 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.319 0.133 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.628 -1.011 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.214 -1.723 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.122 -1.700 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.884 -0.092 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.058 -1.113 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.473 -3.743 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.428 -3.201 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.248 -3.657 -4.778 1.00 0.00 H new ATOM 589 N PRO A 280 -12.555 -1.428 -3.367 1.00 0.00 N ATOM 590 CA PRO A 280 -13.791 -1.066 -2.677 1.00 0.00 C ATOM 591 C PRO A 280 -13.619 0.192 -1.820 1.00 0.00 C ATOM 592 O PRO A 280 -12.541 0.459 -1.293 1.00 0.00 O ATOM 593 CB PRO A 280 -14.149 -2.289 -1.821 1.00 0.00 C ATOM 594 CG PRO A 280 -12.804 -2.951 -1.538 1.00 0.00 C ATOM 595 CD PRO A 280 -11.991 -2.640 -2.785 1.00 0.00 C ATOM 0 HA PRO A 280 -14.585 -0.822 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.652 -1.997 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.822 -2.963 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.336 -2.544 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.909 -4.025 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.940 -2.495 -2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.039 -3.467 -3.493 1.00 0.00 H new ATOM 603 N ASP A 281 -14.702 0.953 -1.641 1.00 0.00 N ATOM 604 CA ASP A 281 -14.702 2.179 -0.826 1.00 0.00 C ATOM 605 C ASP A 281 -14.763 1.908 0.691 1.00 0.00 C ATOM 606 O ASP A 281 -14.503 2.797 1.499 1.00 0.00 O ATOM 607 CB ASP A 281 -15.850 3.084 -1.291 1.00 0.00 C ATOM 608 CG ASP A 281 -15.772 4.499 -0.691 1.00 0.00 C ATOM 609 OD1 ASP A 281 -14.675 5.107 -0.726 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.812 5.003 -0.204 1.00 0.00 O ATOM 0 H ASP A 281 -15.608 0.739 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.749 2.685 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -15.834 3.154 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.801 2.629 -1.014 1.00 0.00 H new ATOM 615 N ASN A 282 -15.029 0.658 1.075 1.00 0.00 N ATOM 616 CA ASN A 282 -14.955 0.147 2.449 1.00 0.00 C ATOM 617 C ASN A 282 -13.751 -0.799 2.633 1.00 0.00 C ATOM 618 O ASN A 282 -13.770 -1.663 3.513 1.00 0.00 O ATOM 619 CB ASN A 282 -16.298 -0.515 2.806 1.00 0.00 C ATOM 620 CG ASN A 282 -17.460 0.475 2.793 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.471 1.462 3.522 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.476 0.237 1.980 1.00 0.00 N ATOM 0 H ASN A 282 -15.315 -0.059 0.408 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.786 0.971 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.502 -1.319 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.224 -0.970 3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.272 0.875 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.464 -0.584 1.375 1.00 0.00 H new ATOM 629 N TRP A 283 -12.703 -0.651 1.809 1.00 0.00 N ATOM 630 CA TRP A 283 -11.429 -1.358 1.989 1.00 0.00 C ATOM 631 C TRP A 283 -10.871 -1.170 3.412 1.00 0.00 C ATOM 632 O TRP A 283 -10.875 -0.069 3.957 1.00 0.00 O ATOM 633 CB TRP A 283 -10.404 -0.900 0.944 1.00 0.00 C ATOM 634 CG TRP A 283 -9.186 -1.763 0.921 1.00 0.00 C ATOM 635 CD1 TRP A 283 -8.994 -2.824 0.105 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.038 -1.729 1.822 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.831 -3.476 0.466 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.219 -2.861 1.539 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.631 -0.889 2.885 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.073 -3.152 2.287 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.485 -1.175 3.644 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.717 -2.312 3.351 1.00 0.00 C ATOM 0 H TRP A 283 -12.717 -0.035 0.996 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.621 -2.422 1.847 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.868 -0.906 -0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.112 0.129 1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.648 -3.116 -0.703 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.470 -4.307 -0.002 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.214 -0.010 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.469 -4.015 2.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.195 -0.520 4.453 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.847 -2.541 3.948 1.00 0.00 H new ATOM 653 N SER A 284 -10.361 -2.233 4.019 1.00 0.00 N ATOM 654 CA SER A 284 -9.794 -2.235 5.373 1.00 0.00 C ATOM 655 C SER A 284 -8.603 -3.192 5.448 1.00 0.00 C ATOM 656 O SER A 284 -8.393 -3.987 4.529 1.00 0.00 O ATOM 657 CB SER A 284 -10.874 -2.629 6.395 1.00 0.00 C ATOM 658 OG SER A 284 -11.361 -3.949 6.168 1.00 0.00 O ATOM 0 H SER A 284 -10.326 -3.150 3.574 1.00 0.00 H new ATOM 0 HA SER A 284 -9.441 -1.232 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.463 -2.561 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.702 -1.922 6.340 1.00 0.00 H new ATOM 0 HG SER A 284 -12.044 -4.165 6.837 1.00 0.00 H new ATOM 664 N CYS A 285 -7.842 -3.154 6.546 1.00 0.00 N ATOM 665 CA CYS A 285 -6.701 -4.056 6.760 1.00 0.00 C ATOM 666 C CYS A 285 -7.052 -5.554 6.543 1.00 0.00 C ATOM 667 O CYS A 285 -6.210 -6.336 6.106 1.00 0.00 O ATOM 668 CB CYS A 285 -6.139 -3.875 8.178 1.00 0.00 C ATOM 669 SG CYS A 285 -5.654 -2.172 8.569 1.00 0.00 S ATOM 0 H CYS A 285 -7.997 -2.499 7.312 1.00 0.00 H new ATOM 0 HA CYS A 285 -5.956 -3.783 6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -6.888 -4.203 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.273 -4.525 8.300 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.683 -1.388 8.443 1.00 0.00 H new ATOM 674 N ASP A 286 -8.302 -5.957 6.801 1.00 0.00 N ATOM 675 CA ASP A 286 -8.825 -7.314 6.577 1.00 0.00 C ATOM 676 C ASP A 286 -8.895 -7.719 5.084 1.00 0.00 C ATOM 677 O ASP A 286 -9.007 -8.903 4.760 1.00 0.00 O ATOM 678 CB ASP A 286 -10.209 -7.404 7.240 1.00 0.00 C ATOM 679 CG ASP A 286 -10.793 -8.828 7.231 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.256 -9.703 7.951 1.00 0.00 O ATOM 681 OD2 ASP A 286 -11.815 -9.054 6.538 1.00 0.00 O ATOM 0 H ASP A 286 -9.004 -5.325 7.186 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.130 -8.024 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.135 -7.055 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -10.896 -6.733 6.725 1.00 0.00 H new ATOM 686 N GLN A 287 -8.790 -6.747 4.175 1.00 0.00 N ATOM 687 CA GLN A 287 -8.866 -6.897 2.719 1.00 0.00 C ATOM 688 C GLN A 287 -7.476 -6.770 2.053 1.00 0.00 C ATOM 689 O GLN A 287 -7.372 -6.588 0.837 1.00 0.00 O ATOM 690 CB GLN A 287 -9.888 -5.868 2.194 1.00 0.00 C ATOM 691 CG GLN A 287 -11.320 -6.211 2.639 1.00 0.00 C ATOM 692 CD GLN A 287 -12.288 -5.046 2.457 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.784 -4.773 1.372 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.588 -4.308 3.506 1.00 0.00 N ATOM 0 H GLN A 287 -8.641 -5.777 4.451 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.205 -7.899 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.623 -4.874 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.844 -5.834 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.678 -7.068 2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.309 -6.508 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.181 -4.525 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.227 -3.519 3.409 1.00 0.00 H new ATOM 703 N ASN A 288 -6.396 -6.872 2.836 1.00 0.00 N ATOM 704 CA ASN A 288 -5.010 -6.788 2.365 1.00 0.00 C ATOM 705 C ASN A 288 -4.522 -8.057 1.641 1.00 0.00 C ATOM 706 O ASN A 288 -4.972 -9.171 1.930 1.00 0.00 O ATOM 707 CB ASN A 288 -4.093 -6.458 3.555 1.00 0.00 C ATOM 708 CG ASN A 288 -2.770 -5.852 3.107 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.734 -4.965 2.269 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.649 -6.335 3.606 1.00 0.00 N ATOM 0 H ASN A 288 -6.465 -7.019 3.843 1.00 0.00 H new ATOM 0 HA ASN A 288 -4.972 -5.993 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.602 -5.763 4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -3.900 -7.366 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.751 -5.967 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.680 -7.076 4.306 1.00 0.00 H new ATOM 717 N THR A 289 -3.546 -7.886 0.737 1.00 0.00 N ATOM 718 CA THR A 289 -2.896 -8.973 -0.021 1.00 0.00 C ATOM 719 C THR A 289 -1.702 -9.589 0.702 1.00 0.00 C ATOM 720 O THR A 289 -1.250 -10.667 0.322 1.00 0.00 O ATOM 721 CB THR A 289 -2.472 -8.478 -1.409 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.685 -7.311 -1.293 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.693 -8.134 -2.257 1.00 0.00 C ATOM 0 H THR A 289 -3.175 -6.965 0.505 1.00 0.00 H new ATOM 0 HA THR A 289 -3.641 -9.762 -0.120 1.00 0.00 H new ATOM 0 HB THR A 289 -1.902 -9.278 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.419 -7.006 -2.185 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.369 -7.785 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.315 -9.021 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.268 -7.350 -1.765 1.00 0.00 H new ATOM 731 N ASP A 290 -1.205 -8.930 1.750 1.00 0.00 N ATOM 732 CA ASP A 290 -0.022 -9.328 2.517 1.00 0.00 C ATOM 733 C ASP A 290 -0.409 -9.762 3.942 1.00 0.00 C ATOM 734 O ASP A 290 -0.888 -8.955 4.740 1.00 0.00 O ATOM 735 CB ASP A 290 0.993 -8.166 2.537 1.00 0.00 C ATOM 736 CG ASP A 290 2.399 -8.589 2.088 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.834 -9.712 2.429 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.071 -7.781 1.406 1.00 0.00 O ATOM 0 H ASP A 290 -1.631 -8.072 2.101 1.00 0.00 H new ATOM 0 HA ASP A 290 0.443 -10.189 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.635 -7.367 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 290 1.048 -7.756 3.546 1.00 0.00 H new ATOM 743 N VAL A 291 -0.175 -11.037 4.266 1.00 0.00 N ATOM 744 CA VAL A 291 -0.586 -11.675 5.542 1.00 0.00 C ATOM 745 C VAL A 291 0.135 -11.111 6.773 1.00 0.00 C ATOM 746 O VAL A 291 -0.330 -11.269 7.901 1.00 0.00 O ATOM 747 CB VAL A 291 -0.397 -13.212 5.523 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.234 -13.847 4.404 1.00 0.00 C ATOM 749 CG2 VAL A 291 1.081 -13.621 5.371 1.00 0.00 C ATOM 0 H VAL A 291 0.316 -11.677 3.642 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.646 -11.437 5.627 1.00 0.00 H new ATOM 0 HB VAL A 291 -0.742 -13.583 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.087 -14.927 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.288 -13.624 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -0.922 -13.442 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.159 -14.708 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.474 -13.222 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.657 -13.222 6.206 1.00 0.00 H new ATOM 759 N GLN A 292 1.261 -10.433 6.547 1.00 0.00 N ATOM 760 CA GLN A 292 2.052 -9.743 7.563 1.00 0.00 C ATOM 761 C GLN A 292 1.358 -8.491 8.116 1.00 0.00 C ATOM 762 O GLN A 292 1.721 -8.036 9.199 1.00 0.00 O ATOM 763 CB GLN A 292 3.454 -9.426 7.010 1.00 0.00 C ATOM 764 CG GLN A 292 3.508 -9.086 5.511 1.00 0.00 C ATOM 765 CD GLN A 292 4.830 -8.455 5.070 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.878 -7.352 4.545 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.956 -9.116 5.260 1.00 0.00 N ATOM 0 H GLN A 292 1.662 -10.347 5.613 1.00 0.00 H new ATOM 0 HA GLN A 292 2.154 -10.416 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.867 -8.588 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 292 4.102 -10.283 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.340 -9.996 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.693 -8.403 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.939 -10.038 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.844 -8.705 4.971 1.00 0.00 H new ATOM 776 N TYR A 293 0.341 -7.967 7.419 1.00 0.00 N ATOM 777 CA TYR A 293 -0.406 -6.760 7.806 1.00 0.00 C ATOM 778 C TYR A 293 -1.911 -6.849 7.468 1.00 0.00 C ATOM 779 O TYR A 293 -2.577 -5.837 7.248 1.00 0.00 O ATOM 780 CB TYR A 293 0.266 -5.516 7.199 1.00 0.00 C ATOM 781 CG TYR A 293 1.691 -5.266 7.654 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.930 -4.524 8.824 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.779 -5.786 6.927 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.245 -4.306 9.278 1.00 0.00 C ATOM 785 CE2 TYR A 293 4.095 -5.586 7.378 1.00 0.00 C ATOM 786 CZ TYR A 293 4.335 -4.844 8.557 1.00 0.00 C ATOM 787 OH TYR A 293 5.611 -4.656 8.996 1.00 0.00 O ATOM 0 H TYR A 293 0.006 -8.380 6.549 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.369 -6.674 8.892 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.260 -5.613 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.336 -4.641 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 293 1.098 -4.118 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.601 -6.341 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.420 -3.730 10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.924 -6.000 6.823 1.00 0.00 H new ATOM 0 HH TYR A 293 6.236 -5.094 8.382 1.00 0.00 H new ATOM 797 N ASN A 294 -2.466 -8.067 7.430 1.00 0.00 N ATOM 798 CA ASN A 294 -3.856 -8.342 7.032 1.00 0.00 C ATOM 799 C ASN A 294 -4.897 -8.197 8.170 1.00 0.00 C ATOM 800 O ASN A 294 -5.988 -8.767 8.090 1.00 0.00 O ATOM 801 CB ASN A 294 -3.942 -9.701 6.313 1.00 0.00 C ATOM 802 CG ASN A 294 -3.841 -10.915 7.239 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.453 -10.828 8.398 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.198 -12.088 6.749 1.00 0.00 N ATOM 0 H ASN A 294 -1.950 -8.910 7.681 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.138 -7.557 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -4.886 -9.752 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.144 -9.757 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.151 -12.921 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.521 -12.161 5.784 1.00 0.00 H new ATOM 811 N ARG A 295 -4.554 -7.466 9.239 1.00 0.00 N ATOM 812 CA ARG A 295 -5.397 -7.225 10.414 1.00 0.00 C ATOM 813 C ARG A 295 -5.224 -5.811 10.961 1.00 0.00 C ATOM 814 O ARG A 295 -4.107 -5.322 11.117 1.00 0.00 O ATOM 815 CB ARG A 295 -5.026 -8.215 11.526 1.00 0.00 C ATOM 816 CG ARG A 295 -5.851 -9.504 11.470 1.00 0.00 C ATOM 817 CD ARG A 295 -5.373 -10.447 12.578 1.00 0.00 C ATOM 818 NE ARG A 295 -6.250 -11.624 12.708 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.154 -12.578 13.628 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.213 -12.565 14.549 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.018 -13.569 13.630 1.00 0.00 N ATOM 0 H ARG A 295 -3.645 -7.009 9.310 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.433 -7.355 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -3.967 -8.463 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.171 -7.738 12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -6.910 -9.280 11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -5.741 -9.980 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.355 -10.773 12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.343 -9.909 13.526 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.003 -11.715 12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.530 -11.807 14.570 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.167 -13.313 15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -7.757 -13.603 12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -6.949 -14.304 14.334 1.00 0.00 H new ATOM 835 N CYS A 296 -6.339 -5.214 11.368 1.00 0.00 N ATOM 836 CA CYS A 296 -6.423 -3.903 12.013 1.00 0.00 C ATOM 837 C CYS A 296 -5.702 -3.791 13.376 1.00 0.00 C ATOM 838 O CYS A 296 -5.436 -2.688 13.859 1.00 0.00 O ATOM 839 CB CYS A 296 -7.916 -3.607 12.173 1.00 0.00 C ATOM 840 SG CYS A 296 -8.547 -2.763 10.693 1.00 0.00 S ATOM 0 H CYS A 296 -7.254 -5.650 11.253 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.903 -3.179 11.386 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.464 -4.536 12.333 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.079 -2.985 13.053 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.554 -2.459 9.910 1.00 0.00 H new ATOM 845 N ASP A 297 -5.362 -4.930 13.984 1.00 0.00 N ATOM 846 CA ASP A 297 -4.663 -5.021 15.268 1.00 0.00 C ATOM 847 C ASP A 297 -3.135 -5.075 15.074 1.00 0.00 C ATOM 848 O ASP A 297 -2.377 -5.117 16.041 1.00 0.00 O ATOM 849 CB ASP A 297 -5.235 -6.240 16.007 1.00 0.00 C ATOM 850 CG ASP A 297 -4.766 -6.340 17.470 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.060 -5.412 18.262 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.147 -7.370 17.832 1.00 0.00 O ATOM 0 H ASP A 297 -5.573 -5.844 13.583 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.828 -4.130 15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.324 -6.192 15.984 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -4.945 -7.147 15.477 1.00 0.00 H new ATOM 857 N ILE A 298 -2.684 -5.041 13.813 1.00 0.00 N ATOM 858 CA ILE A 298 -1.275 -5.019 13.429 1.00 0.00 C ATOM 859 C ILE A 298 -0.858 -3.570 13.142 1.00 0.00 C ATOM 860 O ILE A 298 -1.554 -2.887 12.380 1.00 0.00 O ATOM 861 CB ILE A 298 -1.004 -5.926 12.211 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.505 -7.356 12.506 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.497 -5.933 11.883 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.252 -8.372 11.384 1.00 0.00 C ATOM 0 H ILE A 298 -3.313 -5.028 13.010 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.678 -5.412 14.252 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.542 -5.539 11.345 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.023 -7.714 13.416 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.576 -7.316 12.706 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.678 -6.576 11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.824 -4.919 11.654 1.00 0.00 H new ATOM 0 HG23 ILE A 298 1.055 -6.309 12.740 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.638 -9.347 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -1.757 -8.044 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.181 -8.448 11.196 1.00 0.00 H new ATOM 876 N PRO A 299 0.274 -3.108 13.702 1.00 0.00 N ATOM 877 CA PRO A 299 0.781 -1.751 13.527 1.00 0.00 C ATOM 878 C PRO A 299 1.121 -1.441 12.065 1.00 0.00 C ATOM 879 O PRO A 299 1.340 -2.344 11.259 1.00 0.00 O ATOM 880 CB PRO A 299 2.014 -1.667 14.430 1.00 0.00 C ATOM 881 CG PRO A 299 2.495 -3.109 14.564 1.00 0.00 C ATOM 882 CD PRO A 299 1.193 -3.901 14.505 1.00 0.00 C ATOM 0 HA PRO A 299 0.030 -1.008 13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.784 -1.032 13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.765 -1.241 15.402 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.175 -3.386 13.758 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.027 -3.273 15.501 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.354 -4.882 14.058 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.793 -4.068 15.505 1.00 0.00 H new ATOM 890 N GLU A 300 1.156 -0.153 11.713 1.00 0.00 N ATOM 891 CA GLU A 300 1.500 0.323 10.378 1.00 0.00 C ATOM 892 C GLU A 300 2.969 -0.008 10.027 1.00 0.00 C ATOM 893 O GLU A 300 3.864 0.135 10.866 1.00 0.00 O ATOM 894 CB GLU A 300 1.231 1.836 10.327 1.00 0.00 C ATOM 895 CG GLU A 300 0.838 2.233 8.910 1.00 0.00 C ATOM 896 CD GLU A 300 0.814 3.751 8.698 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.831 4.434 8.962 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.231 4.261 8.237 1.00 0.00 O ATOM 0 H GLU A 300 0.941 0.601 12.365 1.00 0.00 H new ATOM 0 HA GLU A 300 0.886 -0.182 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.435 2.099 11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.120 2.385 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.538 1.784 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.147 1.825 8.684 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.248 5.762 1.142 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.163 6.546 0.527 1.00 0.00 C ATOM 1029 C ARG B 2 -7.148 5.634 -0.170 1.00 0.00 C ATOM 1030 O ARG B 2 -6.919 4.491 0.239 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.450 7.418 1.576 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.783 8.915 1.507 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.078 9.630 0.349 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.303 11.084 0.418 1.00 0.00 N ATOM 1035 CZ ARG B 2 -6.690 12.015 -0.305 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -5.797 11.714 -1.227 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -6.975 13.284 -0.105 1.00 0.00 N ATOM 0 HA ARG B 2 -8.615 7.197 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.707 7.049 2.569 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.373 7.294 1.459 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.861 9.038 1.401 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.499 9.389 2.447 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.009 9.421 0.383 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.448 9.245 -0.601 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.000 11.409 1.088 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.556 10.739 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.347 12.456 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.662 13.547 0.601 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.509 14.004 -0.656 1.00 0.00 H new ATOM 1051 N THR B 3 -6.508 6.194 -1.192 1.00 0.00 N ATOM 1052 CA THR B 3 -5.577 5.534 -2.119 1.00 0.00 C ATOM 1053 C THR B 3 -4.463 6.490 -2.509 1.00 0.00 C ATOM 1054 O THR B 3 -4.689 7.690 -2.674 1.00 0.00 O ATOM 1055 CB THR B 3 -6.303 5.052 -3.385 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.220 6.025 -3.843 1.00 0.00 O ATOM 1057 CG2 THR B 3 -7.061 3.754 -3.133 1.00 0.00 C ATOM 0 H THR B 3 -6.629 7.182 -1.414 1.00 0.00 H new ATOM 0 HA THR B 3 -5.155 4.668 -1.609 1.00 0.00 H new ATOM 0 HB THR B 3 -5.537 4.881 -4.141 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.669 5.697 -4.650 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.563 3.442 -4.049 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.361 2.979 -2.820 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.802 3.912 -2.349 1.00 0.00 H new