USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 470 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 421 CYS SG : rot 176:sc= -11.9! USER MOD Set 1.2: A 427 CYS SG : rot 107:sc= -9.06! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -9.31! C(o=-40!,f=-78!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -10.3! C(o=-40!,f=-78!) USER MOD Set 2.1: A 379 CYS SG : rot -170:sc= -10.2! USER MOD Set 2.2: A 385 CYS SG : rot -129:sc= -8.61! USER MOD Set 2.3: A 392 HIS : no HD1:sc= -8.22! C(o=-35!,f=-71!) USER MOD Set 2.4: A 398 HIS : no HD1:sc= -8.05! C(o=-35!,f=-73!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -159:sc= -0.108 (180deg=-0.624) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 172:sc=-0.00539 (180deg=-0.0763) USER MOD Single : A 389 ASN : amide:sc= -2.39 K(o=-2.4,f=-8.3!) USER MOD Single : A 394 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.7!) USER MOD Single : A 395 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-8.7!) USER MOD Single : A 397 SER OG : rot -119:sc= -0.463 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot -29:sc= 0.614 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ -168:sc= -0.0167 (180deg=-0.188) USER MOD Single : A 431 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.5!) USER MOD Single : A 433 GLN :FLIP amide:sc= -0.396 F(o=-1.7!,f=-0.4) USER MOD Single : A 435 LYS NZ :NH3+ 166:sc= -0.0146 (180deg=-0.17) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN :FLIP amide:sc= -0.877 F(o=-3.3!,f=-0.88) USER MOD Single : A 442 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 447 ASN :FLIP amide:sc=-0.00725 F(o=-0.97,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -6.274 12.315 -6.990 1.00 0.00 N ATOM 257 CA ARG A 376 -5.062 12.012 -7.766 1.00 0.00 C ATOM 258 C ARG A 376 -4.145 11.110 -6.966 1.00 0.00 C ATOM 259 O ARG A 376 -4.358 10.879 -5.772 1.00 0.00 O ATOM 260 CB ARG A 376 -4.285 13.290 -8.155 1.00 0.00 C ATOM 261 CG ARG A 376 -4.864 14.048 -9.345 1.00 0.00 C ATOM 262 CD ARG A 376 -6.004 14.977 -8.954 1.00 0.00 C ATOM 263 NE ARG A 376 -5.551 15.981 -7.980 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.345 16.674 -7.166 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.656 16.577 -7.281 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.823 17.483 -6.242 1.00 0.00 N ATOM 0 HA ARG A 376 -5.385 11.514 -8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.257 13.958 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.254 13.018 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.073 14.630 -9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.222 13.333 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.393 15.475 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.823 14.396 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.549 16.161 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -8.062 15.971 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -8.263 17.108 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.811 17.573 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -6.436 18.011 -5.621 1.00 0.00 H new ATOM 280 N THR A 377 -3.149 10.560 -7.645 1.00 0.00 N ATOM 281 CA THR A 377 -2.095 9.791 -6.996 1.00 0.00 C ATOM 282 C THR A 377 -0.761 10.461 -7.305 1.00 0.00 C ATOM 283 O THR A 377 -0.631 11.053 -8.356 1.00 0.00 O ATOM 284 CB THR A 377 -2.110 8.313 -7.473 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.115 7.558 -6.762 1.00 0.00 O ATOM 286 CG2 THR A 377 -1.858 8.225 -8.979 1.00 0.00 C ATOM 0 H THR A 377 -3.048 10.633 -8.657 1.00 0.00 H new ATOM 0 HA THR A 377 -2.255 9.773 -5.918 1.00 0.00 H new ATOM 0 HB THR A 377 -3.095 7.894 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.131 6.627 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 377 -1.873 7.180 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 377 -2.636 8.773 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 377 -0.885 8.659 -9.211 1.00 0.00 H new ATOM 294 N SER A 378 0.178 10.428 -6.359 1.00 0.00 N ATOM 295 CA SER A 378 1.463 11.116 -6.517 1.00 0.00 C ATOM 296 C SER A 378 2.093 10.814 -7.894 1.00 0.00 C ATOM 297 O SER A 378 2.273 9.647 -8.250 1.00 0.00 O ATOM 298 CB SER A 378 2.446 10.709 -5.403 1.00 0.00 C ATOM 299 OG SER A 378 1.887 11.000 -4.112 1.00 0.00 O ATOM 0 H SER A 378 0.074 9.932 -5.474 1.00 0.00 H new ATOM 0 HA SER A 378 1.268 12.186 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.670 9.645 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.388 11.243 -5.527 1.00 0.00 H new ATOM 0 HG SER A 378 2.521 10.735 -3.414 1.00 0.00 H new ATOM 305 N CYS A 379 2.360 11.870 -8.677 1.00 0.00 N ATOM 306 CA CYS A 379 2.984 11.742 -9.990 1.00 0.00 C ATOM 307 C CYS A 379 4.192 10.826 -9.887 1.00 0.00 C ATOM 308 O CYS A 379 5.131 11.111 -9.158 1.00 0.00 O ATOM 309 CB CYS A 379 3.380 13.127 -10.502 1.00 0.00 C ATOM 310 SG CYS A 379 3.783 13.201 -12.294 1.00 0.00 S ATOM 0 H CYS A 379 2.148 12.832 -8.413 1.00 0.00 H new ATOM 0 HA CYS A 379 2.282 11.304 -10.699 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.564 13.821 -10.299 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.244 13.475 -9.935 1.00 0.00 H new ATOM 0 HG CYS A 379 4.306 14.358 -12.574 1.00 0.00 H new ATOM 315 N MET A 380 4.173 9.730 -10.641 1.00 0.00 N ATOM 316 CA MET A 380 5.216 8.712 -10.592 1.00 0.00 C ATOM 317 C MET A 380 6.561 9.311 -10.997 1.00 0.00 C ATOM 318 O MET A 380 7.620 8.689 -10.816 1.00 0.00 O ATOM 319 CB MET A 380 4.872 7.520 -11.487 1.00 0.00 C ATOM 320 CG MET A 380 4.924 7.820 -12.959 1.00 0.00 C ATOM 321 SD MET A 380 4.558 6.378 -14.001 1.00 0.00 S ATOM 322 CE MET A 380 5.960 5.339 -13.589 1.00 0.00 C ATOM 0 H MET A 380 3.429 9.523 -11.307 1.00 0.00 H new ATOM 0 HA MET A 380 5.285 8.351 -9.566 1.00 0.00 H new ATOM 0 HB2 MET A 380 5.562 6.705 -11.269 1.00 0.00 H new ATOM 0 HB3 MET A 380 3.872 7.167 -11.235 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.212 8.613 -13.186 1.00 0.00 H new ATOM 0 HG3 MET A 380 5.915 8.199 -13.210 1.00 0.00 H new ATOM 0 HE1 MET A 380 6.111 4.602 -14.378 1.00 0.00 H new ATOM 0 HE2 MET A 380 6.854 5.955 -13.493 1.00 0.00 H new ATOM 0 HE3 MET A 380 5.769 4.827 -12.646 1.00 0.00 H new ATOM 332 N TYR A 381 6.518 10.522 -11.540 1.00 0.00 N ATOM 333 CA TYR A 381 7.728 11.246 -11.878 1.00 0.00 C ATOM 334 C TYR A 381 7.863 12.521 -11.028 1.00 0.00 C ATOM 335 O TYR A 381 8.921 13.136 -11.005 1.00 0.00 O ATOM 336 CB TYR A 381 7.748 11.628 -13.359 1.00 0.00 C ATOM 337 CG TYR A 381 7.647 10.434 -14.286 1.00 0.00 C ATOM 338 CD1 TYR A 381 8.725 9.562 -14.426 1.00 0.00 C ATOM 339 CD2 TYR A 381 6.490 10.164 -15.024 1.00 0.00 C ATOM 340 CE1 TYR A 381 8.633 8.458 -15.272 1.00 0.00 C ATOM 341 CE2 TYR A 381 6.404 9.082 -15.851 1.00 0.00 C ATOM 342 CZ TYR A 381 7.474 8.220 -15.979 1.00 0.00 C ATOM 343 OH TYR A 381 7.393 7.130 -16.819 1.00 0.00 O ATOM 0 H TYR A 381 5.654 11.020 -11.754 1.00 0.00 H new ATOM 0 HA TYR A 381 8.568 10.583 -11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 381 6.921 12.309 -13.563 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.668 12.170 -13.575 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.637 9.743 -13.876 1.00 0.00 H new ATOM 0 HD2 TYR A 381 5.643 10.829 -14.937 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.473 7.787 -15.374 1.00 0.00 H new ATOM 0 HE2 TYR A 381 5.496 8.900 -16.407 1.00 0.00 H new ATOM 0 HH TYR A 381 6.509 7.107 -17.240 1.00 0.00 H new ATOM 353 N GLY A 382 6.772 12.908 -10.364 1.00 0.00 N ATOM 354 CA GLY A 382 6.791 14.136 -9.582 1.00 0.00 C ATOM 355 C GLY A 382 6.957 15.338 -10.477 1.00 0.00 C ATOM 356 O GLY A 382 6.145 15.567 -11.371 1.00 0.00 O ATOM 0 H GLY A 382 5.887 12.401 -10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.865 14.225 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.606 14.100 -8.859 1.00 0.00 H new ATOM 360 N ALA A 383 8.025 16.095 -10.248 1.00 0.00 N ATOM 361 CA ALA A 383 8.341 17.270 -11.049 1.00 0.00 C ATOM 362 C ALA A 383 9.271 16.900 -12.207 1.00 0.00 C ATOM 363 O ALA A 383 9.755 17.756 -12.940 1.00 0.00 O ATOM 364 CB ALA A 383 8.969 18.357 -10.193 1.00 0.00 C ATOM 0 H ALA A 383 8.695 15.910 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 383 7.409 17.656 -11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.196 19.224 -10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 383 8.274 18.647 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.889 17.981 -9.745 1.00 0.00 H new ATOM 370 N ASN A 384 9.531 15.599 -12.362 1.00 0.00 N ATOM 371 CA ASN A 384 10.404 15.101 -13.427 1.00 0.00 C ATOM 372 C ASN A 384 9.612 14.805 -14.702 1.00 0.00 C ATOM 373 O ASN A 384 10.188 14.658 -15.776 1.00 0.00 O ATOM 374 CB ASN A 384 11.138 13.839 -12.963 1.00 0.00 C ATOM 375 CG ASN A 384 12.094 14.125 -11.809 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.276 14.396 -12.022 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.588 14.058 -10.588 1.00 0.00 N ATOM 0 H ASN A 384 9.148 14.870 -11.761 1.00 0.00 H new ATOM 0 HA ASN A 384 11.133 15.879 -13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.410 13.089 -12.653 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.695 13.416 -13.799 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.183 14.234 -9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.603 13.830 -10.456 1.00 0.00 H new ATOM 384 N CYS A 385 8.280 14.727 -14.586 1.00 0.00 N ATOM 385 CA CYS A 385 7.431 14.521 -15.761 1.00 0.00 C ATOM 386 C CYS A 385 7.244 15.827 -16.534 1.00 0.00 C ATOM 387 O CYS A 385 6.777 16.837 -15.970 1.00 0.00 O ATOM 388 CB CYS A 385 6.071 13.933 -15.341 1.00 0.00 C ATOM 389 SG CYS A 385 5.340 14.700 -13.862 1.00 0.00 S ATOM 0 H CYS A 385 7.775 14.802 -13.703 1.00 0.00 H new ATOM 0 HA CYS A 385 7.925 13.809 -16.422 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.373 14.037 -16.171 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.192 12.865 -15.159 1.00 0.00 H new ATOM 0 HG CYS A 385 5.007 13.774 -13.013 1.00 0.00 H new ATOM 394 N TYR A 386 7.594 15.804 -17.819 1.00 0.00 N ATOM 395 CA TYR A 386 7.594 17.007 -18.671 1.00 0.00 C ATOM 396 C TYR A 386 6.211 17.300 -19.229 1.00 0.00 C ATOM 397 O TYR A 386 6.068 18.085 -20.175 1.00 0.00 O ATOM 398 CB TYR A 386 8.629 16.862 -19.809 1.00 0.00 C ATOM 399 CG TYR A 386 8.357 15.703 -20.754 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.482 15.832 -21.824 1.00 0.00 C ATOM 401 CD2 TYR A 386 8.993 14.470 -20.565 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.236 14.771 -22.688 1.00 0.00 C ATOM 403 CE2 TYR A 386 8.751 13.412 -21.414 1.00 0.00 C ATOM 404 CZ TYR A 386 7.884 13.553 -22.468 1.00 0.00 C ATOM 405 OH TYR A 386 7.661 12.504 -23.321 1.00 0.00 O ATOM 0 H TYR A 386 7.886 14.956 -18.304 1.00 0.00 H new ATOM 0 HA TYR A 386 7.878 17.856 -18.049 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.652 17.788 -20.384 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.619 16.734 -19.371 1.00 0.00 H new ATOM 0 HD1 TYR A 386 6.982 16.775 -21.988 1.00 0.00 H new ATOM 0 HD2 TYR A 386 9.682 14.347 -19.743 1.00 0.00 H new ATOM 0 HE1 TYR A 386 6.554 14.887 -23.517 1.00 0.00 H new ATOM 0 HE2 TYR A 386 9.246 12.467 -21.249 1.00 0.00 H new ATOM 0 HH TYR A 386 8.187 11.729 -23.031 1.00 0.00 H new ATOM 415 N ARG A 387 5.188 16.684 -18.653 1.00 0.00 N ATOM 416 CA ARG A 387 3.812 16.870 -19.101 1.00 0.00 C ATOM 417 C ARG A 387 3.211 18.118 -18.467 1.00 0.00 C ATOM 418 O ARG A 387 3.261 18.301 -17.242 1.00 0.00 O ATOM 419 CB ARG A 387 2.976 15.633 -18.772 1.00 0.00 C ATOM 420 CG ARG A 387 3.537 14.329 -19.326 1.00 0.00 C ATOM 421 CD ARG A 387 3.576 14.300 -20.850 1.00 0.00 C ATOM 422 NE ARG A 387 4.347 13.127 -21.339 1.00 0.00 N ATOM 423 CZ ARG A 387 4.058 12.445 -22.440 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.982 12.739 -23.165 1.00 0.00 N ATOM 425 NH2 ARG A 387 4.831 11.439 -22.800 1.00 0.00 N ATOM 0 H ARG A 387 5.286 16.044 -17.865 1.00 0.00 H new ATOM 0 HA ARG A 387 3.810 17.005 -20.183 1.00 0.00 H new ATOM 0 HB2 ARG A 387 2.889 15.546 -17.689 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.968 15.776 -19.162 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.545 14.179 -18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.931 13.497 -18.967 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.560 14.262 -21.243 1.00 0.00 H new ATOM 0 HD3 ARG A 387 4.028 15.219 -21.224 1.00 0.00 H new ATOM 0 HE ARG A 387 5.153 12.826 -20.791 1.00 0.00 H new ATOM 0 HH11 ARG A 387 2.365 13.498 -22.877 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.774 12.205 -24.009 1.00 0.00 H new ATOM 0 HH21 ARG A 387 5.642 11.191 -22.234 1.00 0.00 H new ATOM 0 HH22 ARG A 387 4.617 10.909 -23.645 1.00 0.00 H new ATOM 439 N LYS A 388 2.622 18.958 -19.289 1.00 0.00 N ATOM 440 CA LYS A 388 2.017 20.215 -18.850 1.00 0.00 C ATOM 441 C LYS A 388 0.518 20.074 -18.823 1.00 0.00 C ATOM 442 O LYS A 388 -0.169 20.696 -17.994 1.00 0.00 O ATOM 443 CB LYS A 388 2.371 21.365 -19.804 1.00 0.00 C ATOM 444 CG LYS A 388 3.856 21.753 -19.854 1.00 0.00 C ATOM 445 CD LYS A 388 4.700 20.702 -20.533 1.00 0.00 C ATOM 446 CE LYS A 388 4.292 20.458 -21.984 1.00 0.00 C ATOM 447 NZ LYS A 388 4.421 21.677 -22.822 1.00 0.00 N ATOM 0 H LYS A 388 2.544 18.794 -20.293 1.00 0.00 H new ATOM 0 HA LYS A 388 2.403 20.440 -17.856 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.052 21.090 -20.809 1.00 0.00 H new ATOM 0 HB3 LYS A 388 1.794 22.243 -19.515 1.00 0.00 H new ATOM 0 HG2 LYS A 388 3.964 22.700 -20.383 1.00 0.00 H new ATOM 0 HG3 LYS A 388 4.222 21.911 -18.840 1.00 0.00 H new ATOM 0 HD2 LYS A 388 5.746 21.007 -20.501 1.00 0.00 H new ATOM 0 HD3 LYS A 388 4.624 19.767 -19.977 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.911 19.665 -22.404 1.00 0.00 H new ATOM 0 HE3 LYS A 388 3.260 20.107 -22.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.264 21.430 -23.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 3.715 22.380 -22.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.375 22.076 -22.710 1.00 0.00 H new ATOM 461 N ASN A 389 0.015 19.268 -19.760 1.00 0.00 N ATOM 462 CA ASN A 389 -1.414 19.043 -19.947 1.00 0.00 C ATOM 463 C ASN A 389 -2.130 18.786 -18.607 1.00 0.00 C ATOM 464 O ASN A 389 -1.653 17.992 -17.798 1.00 0.00 O ATOM 465 CB ASN A 389 -1.654 17.867 -20.898 1.00 0.00 C ATOM 466 CG ASN A 389 -1.035 16.575 -20.409 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.037 16.560 -19.808 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.707 15.445 -20.687 1.00 0.00 N ATOM 0 H ASN A 389 0.598 18.749 -20.416 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.830 19.950 -20.385 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.727 17.724 -21.026 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.246 18.111 -21.879 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.329 14.543 -20.398 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.595 15.490 -21.187 1.00 0.00 H new ATOM 475 N PRO A 390 -3.288 19.418 -18.413 1.00 0.00 N ATOM 476 CA PRO A 390 -4.049 19.276 -17.169 1.00 0.00 C ATOM 477 C PRO A 390 -4.491 17.830 -16.927 1.00 0.00 C ATOM 478 O PRO A 390 -4.815 17.449 -15.802 1.00 0.00 O ATOM 479 CB PRO A 390 -5.273 20.205 -17.363 1.00 0.00 C ATOM 480 CG PRO A 390 -5.382 20.367 -18.840 1.00 0.00 C ATOM 481 CD PRO A 390 -3.984 20.266 -19.384 1.00 0.00 C ATOM 0 HA PRO A 390 -3.451 19.541 -16.297 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.177 19.764 -16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.127 21.165 -16.867 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.022 19.596 -19.269 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.828 21.329 -19.093 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.974 19.824 -20.380 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.515 21.247 -19.466 1.00 0.00 H new ATOM 489 N VAL A 391 -4.462 17.026 -17.982 1.00 0.00 N ATOM 490 CA VAL A 391 -4.822 15.631 -17.858 1.00 0.00 C ATOM 491 C VAL A 391 -3.776 14.896 -17.019 1.00 0.00 C ATOM 492 O VAL A 391 -4.117 14.058 -16.199 1.00 0.00 O ATOM 493 CB VAL A 391 -4.952 14.949 -19.245 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.214 13.436 -19.105 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.072 15.614 -20.045 1.00 0.00 C ATOM 0 H VAL A 391 -4.195 17.318 -18.922 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.793 15.580 -17.365 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.009 15.072 -19.777 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.300 12.988 -20.095 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.387 12.972 -18.568 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.140 13.277 -18.553 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.160 15.132 -21.019 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.013 15.515 -19.505 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -5.843 16.671 -20.183 1.00 0.00 H new ATOM 505 N HIS A 392 -2.499 15.247 -17.172 1.00 0.00 N ATOM 506 CA HIS A 392 -1.440 14.641 -16.391 1.00 0.00 C ATOM 507 C HIS A 392 -1.664 14.910 -14.916 1.00 0.00 C ATOM 508 O HIS A 392 -1.323 14.101 -14.046 1.00 0.00 O ATOM 509 CB HIS A 392 -0.063 15.158 -16.834 1.00 0.00 C ATOM 510 CG HIS A 392 1.092 14.555 -16.095 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.384 13.212 -16.060 1.00 0.00 N ATOM 512 CD2 HIS A 392 2.027 15.175 -15.325 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.441 13.038 -15.273 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.891 14.188 -14.794 1.00 0.00 N ATOM 0 H HIS A 392 -2.180 15.953 -17.836 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.460 13.564 -16.559 1.00 0.00 H new ATOM 0 HB2 HIS A 392 0.060 14.961 -17.899 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.036 16.240 -16.705 1.00 0.00 H new ATOM 0 HD2 HIS A 392 2.098 16.238 -15.149 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.879 12.076 -15.051 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.689 14.331 -14.175 1.00 0.00 H new ATOM 522 N PHE A 393 -2.308 16.046 -14.630 1.00 0.00 N ATOM 523 CA PHE A 393 -2.561 16.491 -13.277 1.00 0.00 C ATOM 524 C PHE A 393 -3.926 16.025 -12.766 1.00 0.00 C ATOM 525 O PHE A 393 -4.223 16.112 -11.568 1.00 0.00 O ATOM 526 CB PHE A 393 -2.492 18.016 -13.191 1.00 0.00 C ATOM 527 CG PHE A 393 -1.143 18.607 -13.551 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.756 18.737 -14.879 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.264 19.023 -12.556 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.479 19.273 -15.198 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.968 19.548 -12.872 1.00 0.00 C ATOM 532 CZ PHE A 393 1.343 19.679 -14.190 1.00 0.00 C ATOM 0 H PHE A 393 -2.667 16.680 -15.344 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.788 16.048 -12.650 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.248 18.439 -13.853 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.749 18.322 -12.177 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.423 18.418 -15.666 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.553 18.932 -11.519 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.771 19.376 -16.233 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.641 19.857 -12.086 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.307 20.097 -14.439 1.00 0.00 H new ATOM 542 N GLN A 394 -4.786 15.535 -13.674 1.00 0.00 N ATOM 543 CA GLN A 394 -6.137 15.112 -13.306 1.00 0.00 C ATOM 544 C GLN A 394 -6.136 13.732 -12.653 1.00 0.00 C ATOM 545 O GLN A 394 -7.044 13.397 -11.896 1.00 0.00 O ATOM 546 CB GLN A 394 -7.096 15.183 -14.536 1.00 0.00 C ATOM 547 CG GLN A 394 -7.039 13.993 -15.490 1.00 0.00 C ATOM 548 CD GLN A 394 -7.995 12.861 -15.109 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.628 11.905 -14.397 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.228 12.945 -15.553 1.00 0.00 N ATOM 0 H GLN A 394 -4.566 15.424 -14.664 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.516 15.808 -12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.118 15.284 -14.171 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.868 16.088 -15.099 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.275 14.334 -16.498 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.021 13.605 -15.515 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.508 13.735 -16.134 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.906 12.220 -15.317 1.00 0.00 H new ATOM 559 N HIS A 395 -5.106 12.929 -12.932 1.00 0.00 N ATOM 560 CA HIS A 395 -4.996 11.602 -12.299 1.00 0.00 C ATOM 561 C HIS A 395 -3.721 11.490 -11.446 1.00 0.00 C ATOM 562 O HIS A 395 -3.618 10.632 -10.568 1.00 0.00 O ATOM 563 CB HIS A 395 -5.091 10.443 -13.310 1.00 0.00 C ATOM 564 CG HIS A 395 -4.301 10.633 -14.568 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.131 9.951 -14.806 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.503 11.402 -15.656 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.647 10.303 -15.985 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.462 11.178 -16.514 1.00 0.00 N ATOM 0 H HIS A 395 -4.350 13.162 -13.576 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.858 11.509 -11.638 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.755 9.528 -12.823 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.138 10.297 -13.575 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.703 9.277 -14.171 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.334 12.072 -15.820 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.737 9.932 -16.433 1.00 0.00 H new ATOM 577 N PHE A 396 -2.742 12.362 -11.704 1.00 0.00 N ATOM 578 CA PHE A 396 -1.515 12.397 -10.887 1.00 0.00 C ATOM 579 C PHE A 396 -1.298 13.789 -10.300 1.00 0.00 C ATOM 580 O PHE A 396 -1.274 14.785 -11.009 1.00 0.00 O ATOM 581 CB PHE A 396 -0.281 11.973 -11.709 1.00 0.00 C ATOM 582 CG PHE A 396 -0.213 10.496 -11.978 1.00 0.00 C ATOM 583 CD1 PHE A 396 -0.876 9.945 -13.050 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.520 9.648 -11.153 1.00 0.00 C ATOM 585 CE1 PHE A 396 -0.816 8.583 -13.309 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.584 8.295 -11.396 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.082 7.758 -12.474 1.00 0.00 C ATOM 0 H PHE A 396 -2.769 13.046 -12.460 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.643 11.685 -10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.288 12.507 -12.659 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.621 12.279 -11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -1.454 10.584 -13.702 1.00 0.00 H new ATOM 0 HD2 PHE A 396 1.049 10.060 -10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -1.339 8.169 -14.158 1.00 0.00 H new ATOM 0 HE2 PHE A 396 1.157 7.655 -10.741 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.032 6.697 -12.668 1.00 0.00 H new ATOM 597 N SER A 397 -1.107 13.835 -8.987 1.00 0.00 N ATOM 598 CA SER A 397 -0.814 15.066 -8.279 1.00 0.00 C ATOM 599 C SER A 397 0.647 15.454 -8.454 1.00 0.00 C ATOM 600 O SER A 397 1.471 14.632 -8.835 1.00 0.00 O ATOM 601 CB SER A 397 -1.148 14.904 -6.808 1.00 0.00 C ATOM 602 OG SER A 397 -0.461 13.776 -6.266 1.00 0.00 O ATOM 0 H SER A 397 -1.152 13.013 -8.385 1.00 0.00 H new ATOM 0 HA SER A 397 -1.427 15.865 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.868 15.805 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 397 -2.224 14.778 -6.684 1.00 0.00 H new ATOM 0 HG SER A 397 -1.113 13.124 -5.934 1.00 0.00 H new ATOM 608 N HIS A 398 0.979 16.713 -8.160 1.00 0.00 N ATOM 609 CA HIS A 398 2.341 17.217 -8.354 1.00 0.00 C ATOM 610 C HIS A 398 2.759 18.088 -7.178 1.00 0.00 C ATOM 611 O HIS A 398 1.904 18.531 -6.408 1.00 0.00 O ATOM 612 CB HIS A 398 2.412 17.965 -9.687 1.00 0.00 C ATOM 613 CG HIS A 398 2.353 17.036 -10.858 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.224 16.366 -11.250 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.357 16.591 -11.664 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.556 15.551 -12.252 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.838 15.642 -12.552 1.00 0.00 N ATOM 0 H HIS A 398 0.325 17.401 -7.787 1.00 0.00 H new ATOM 0 HA HIS A 398 3.046 16.386 -8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.588 18.676 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.335 18.543 -9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.386 16.917 -11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.861 14.896 -12.756 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.342 15.130 -13.276 1.00 0.00 H new ATOM 625 N PRO A 399 4.071 18.324 -7.002 1.00 0.00 N ATOM 626 CA PRO A 399 4.599 19.073 -5.860 1.00 0.00 C ATOM 627 C PRO A 399 3.897 20.419 -5.679 1.00 0.00 C ATOM 628 O PRO A 399 4.122 21.373 -6.450 1.00 0.00 O ATOM 629 CB PRO A 399 6.100 19.265 -6.192 1.00 0.00 C ATOM 630 CG PRO A 399 6.220 18.931 -7.636 1.00 0.00 C ATOM 631 CD PRO A 399 5.168 17.882 -7.886 1.00 0.00 C ATOM 0 HA PRO A 399 4.439 18.544 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.420 20.288 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.726 18.613 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.055 19.810 -8.259 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.215 18.555 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 399 4.862 17.853 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.520 16.883 -7.630 1.00 0.00 H new ATOM 639 N GLY A 400 3.034 20.489 -4.683 1.00 0.00 N ATOM 640 CA GLY A 400 2.272 21.702 -4.412 1.00 0.00 C ATOM 641 C GLY A 400 0.768 21.459 -4.390 1.00 0.00 C ATOM 642 O GLY A 400 -0.004 22.334 -4.008 1.00 0.00 O ATOM 0 H GLY A 400 2.840 19.719 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.583 22.115 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 400 2.504 22.449 -5.171 1.00 0.00 H new ATOM 646 N ASP A 401 0.349 20.259 -4.802 1.00 0.00 N ATOM 647 CA ASP A 401 -1.069 19.925 -4.854 1.00 0.00 C ATOM 648 C ASP A 401 -1.514 19.185 -3.588 1.00 0.00 C ATOM 649 O ASP A 401 -0.699 18.589 -2.903 1.00 0.00 O ATOM 650 CB ASP A 401 -1.363 19.063 -6.102 1.00 0.00 C ATOM 651 CG ASP A 401 -2.815 18.617 -6.168 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.703 19.496 -6.266 1.00 0.00 O ATOM 653 OD2 ASP A 401 -3.080 17.402 -6.094 1.00 0.00 O ATOM 0 H ASP A 401 0.972 19.509 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.633 20.856 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -1.119 19.632 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.716 18.186 -6.095 1.00 0.00 H new ATOM 658 N SER A 402 -2.806 19.250 -3.307 1.00 0.00 N ATOM 659 CA SER A 402 -3.364 18.692 -2.081 1.00 0.00 C ATOM 660 C SER A 402 -3.312 17.147 -2.070 1.00 0.00 C ATOM 661 O SER A 402 -3.262 16.533 -1.003 1.00 0.00 O ATOM 662 CB SER A 402 -4.808 19.176 -1.910 1.00 0.00 C ATOM 663 OG SER A 402 -4.874 20.596 -1.967 1.00 0.00 O ATOM 0 H SER A 402 -3.496 19.688 -3.917 1.00 0.00 H new ATOM 0 HA SER A 402 -2.756 19.040 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 402 -5.435 18.746 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.203 18.827 -0.956 1.00 0.00 H new ATOM 0 HG SER A 402 -5.804 20.885 -1.858 1.00 0.00 H new ATOM 669 N ASP A 403 -3.304 16.526 -3.252 1.00 0.00 N ATOM 670 CA ASP A 403 -3.305 15.061 -3.350 1.00 0.00 C ATOM 671 C ASP A 403 -1.874 14.531 -3.492 1.00 0.00 C ATOM 672 O ASP A 403 -1.680 13.336 -3.736 1.00 0.00 O ATOM 673 CB ASP A 403 -4.164 14.591 -4.546 1.00 0.00 C ATOM 674 CG ASP A 403 -5.637 14.474 -4.209 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.316 15.508 -4.067 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.126 13.334 -4.081 1.00 0.00 O ATOM 0 H ASP A 403 -3.297 17.009 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.739 14.662 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.041 15.291 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -3.798 13.624 -4.891 1.00 0.00 H new ATOM 681 N TYR A 404 -0.895 15.411 -3.320 1.00 0.00 N ATOM 682 CA TYR A 404 0.507 15.021 -3.470 1.00 0.00 C ATOM 683 C TYR A 404 1.166 14.856 -2.111 1.00 0.00 C ATOM 684 O TYR A 404 0.916 15.630 -1.196 1.00 0.00 O ATOM 685 CB TYR A 404 1.274 16.067 -4.286 1.00 0.00 C ATOM 686 CG TYR A 404 2.613 15.581 -4.793 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.672 14.750 -5.893 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.825 15.950 -4.185 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.871 14.282 -6.393 1.00 0.00 C ATOM 690 CE2 TYR A 404 5.029 15.506 -4.680 1.00 0.00 C ATOM 691 CZ TYR A 404 5.050 14.669 -5.781 1.00 0.00 C ATOM 692 OH TYR A 404 6.257 14.221 -6.274 1.00 0.00 O ATOM 0 H TYR A 404 -1.041 16.391 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 404 0.534 14.067 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.663 16.372 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.429 16.953 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.752 14.457 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.811 16.592 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.888 13.624 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.953 15.809 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 404 6.987 14.585 -5.732 1.00 0.00 H new ATOM 849 N ASP A 416 16.455 2.873 -2.991 1.00 0.00 N ATOM 850 CA ASP A 416 16.902 2.601 -1.627 1.00 0.00 C ATOM 851 C ASP A 416 17.705 3.802 -1.128 1.00 0.00 C ATOM 852 O ASP A 416 17.424 4.365 -0.070 1.00 0.00 O ATOM 853 CB ASP A 416 17.778 1.342 -1.609 1.00 0.00 C ATOM 854 CG ASP A 416 18.301 0.987 -0.219 1.00 0.00 C ATOM 855 OD1 ASP A 416 17.529 0.425 0.583 1.00 0.00 O ATOM 856 OD2 ASP A 416 19.488 1.263 0.066 1.00 0.00 O ATOM 0 HA ASP A 416 16.041 2.436 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 416 17.202 0.502 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 416 18.624 1.487 -2.281 1.00 0.00 H new ATOM 861 N ASP A 417 18.693 4.174 -1.934 1.00 0.00 N ATOM 862 CA ASP A 417 19.545 5.340 -1.662 1.00 0.00 C ATOM 863 C ASP A 417 20.416 5.652 -2.887 1.00 0.00 C ATOM 864 O ASP A 417 20.737 6.797 -3.157 1.00 0.00 O ATOM 865 CB ASP A 417 20.427 5.086 -0.433 1.00 0.00 C ATOM 866 CG ASP A 417 21.413 6.225 -0.166 1.00 0.00 C ATOM 867 OD1 ASP A 417 21.000 7.246 0.428 1.00 0.00 O ATOM 868 OD2 ASP A 417 22.598 6.099 -0.564 1.00 0.00 O ATOM 0 H ASP A 417 18.931 3.681 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 417 18.906 6.199 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 417 19.792 4.948 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 417 20.981 4.158 -0.574 1.00 0.00 H new ATOM 873 N ARG A 418 20.775 4.600 -3.622 1.00 0.00 N ATOM 874 CA ARG A 418 21.712 4.708 -4.732 1.00 0.00 C ATOM 875 C ARG A 418 21.158 3.970 -5.949 1.00 0.00 C ATOM 876 O ARG A 418 20.225 3.183 -5.805 1.00 0.00 O ATOM 877 CB ARG A 418 23.057 4.106 -4.289 1.00 0.00 C ATOM 878 CG ARG A 418 22.900 2.733 -3.651 1.00 0.00 C ATOM 879 CD ARG A 418 24.214 2.168 -3.137 1.00 0.00 C ATOM 880 NE ARG A 418 23.989 0.891 -2.487 1.00 0.00 N ATOM 881 CZ ARG A 418 24.943 0.029 -2.171 1.00 0.00 C ATOM 882 NH1 ARG A 418 26.213 0.321 -2.398 1.00 0.00 N ATOM 883 NH2 ARG A 418 24.636 -1.149 -1.622 1.00 0.00 N ATOM 0 H ARG A 418 20.425 3.655 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 418 21.857 5.752 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 418 23.718 4.028 -5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 418 23.537 4.780 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 418 22.191 2.800 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 418 22.475 2.045 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 418 24.914 2.045 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 418 24.669 2.867 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 418 23.028 0.639 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 418 26.463 1.216 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 418 26.942 -0.348 -2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 418 23.661 -1.390 -1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 418 25.376 -1.808 -1.381 1.00 0.00 H new ATOM 897 N PRO A 419 21.696 4.221 -7.155 1.00 0.00 N ATOM 898 CA PRO A 419 21.296 3.492 -8.367 1.00 0.00 C ATOM 899 C PRO A 419 21.872 2.075 -8.375 1.00 0.00 C ATOM 900 O PRO A 419 22.921 1.811 -7.785 1.00 0.00 O ATOM 901 CB PRO A 419 21.916 4.317 -9.497 1.00 0.00 C ATOM 902 CG PRO A 419 23.090 4.981 -8.885 1.00 0.00 C ATOM 903 CD PRO A 419 22.729 5.237 -7.444 1.00 0.00 C ATOM 0 HA PRO A 419 20.215 3.380 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 419 22.212 3.683 -10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 419 21.208 5.048 -9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 419 23.975 4.349 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 419 23.321 5.914 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 419 23.593 5.127 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 419 22.347 6.248 -7.300 1.00 0.00 H new ATOM 911 N GLU A 420 21.167 1.156 -9.027 1.00 0.00 N ATOM 912 CA GLU A 420 21.647 -0.222 -9.172 1.00 0.00 C ATOM 913 C GLU A 420 22.891 -0.291 -10.053 1.00 0.00 C ATOM 914 O GLU A 420 23.151 0.616 -10.854 1.00 0.00 O ATOM 915 CB GLU A 420 20.558 -1.107 -9.768 1.00 0.00 C ATOM 916 CG GLU A 420 19.354 -1.317 -8.854 1.00 0.00 C ATOM 917 CD GLU A 420 18.327 -2.263 -9.459 1.00 0.00 C ATOM 918 OE1 GLU A 420 18.538 -3.491 -9.384 1.00 0.00 O ATOM 919 OE2 GLU A 420 17.320 -1.784 -10.024 1.00 0.00 O ATOM 0 H GLU A 420 20.263 1.336 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 420 21.906 -0.582 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 420 20.217 -0.664 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 420 20.988 -2.078 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 420 19.692 -1.715 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 420 18.883 -0.355 -8.650 1.00 0.00 H new ATOM 926 N CYS A 421 23.644 -1.354 -9.911 1.00 0.00 N ATOM 927 CA CYS A 421 24.811 -1.587 -10.745 1.00 0.00 C ATOM 928 C CYS A 421 24.385 -1.898 -12.176 1.00 0.00 C ATOM 929 O CYS A 421 23.537 -2.771 -12.391 1.00 0.00 O ATOM 930 CB CYS A 421 25.624 -2.755 -10.161 1.00 0.00 C ATOM 931 SG CYS A 421 27.224 -3.060 -10.981 1.00 0.00 S ATOM 0 H CYS A 421 23.471 -2.083 -9.219 1.00 0.00 H new ATOM 0 HA CYS A 421 25.430 -0.690 -10.762 1.00 0.00 H new ATOM 0 HB2 CYS A 421 25.805 -2.560 -9.104 1.00 0.00 H new ATOM 0 HB3 CYS A 421 25.023 -3.662 -10.220 1.00 0.00 H new ATOM 0 HG CYS A 421 27.864 -3.998 -10.348 1.00 0.00 H new ATOM 936 N PRO A 422 24.994 -1.229 -13.181 1.00 0.00 N ATOM 937 CA PRO A 422 24.679 -1.445 -14.601 1.00 0.00 C ATOM 938 C PRO A 422 24.884 -2.911 -15.039 1.00 0.00 C ATOM 939 O PRO A 422 24.395 -3.333 -16.074 1.00 0.00 O ATOM 940 CB PRO A 422 25.658 -0.511 -15.341 1.00 0.00 C ATOM 941 CG PRO A 422 25.999 0.532 -14.320 1.00 0.00 C ATOM 942 CD PRO A 422 26.028 -0.181 -13.006 1.00 0.00 C ATOM 0 HA PRO A 422 23.631 -1.235 -14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 422 26.546 -1.047 -15.677 1.00 0.00 H new ATOM 0 HB3 PRO A 422 25.198 -0.070 -16.225 1.00 0.00 H new ATOM 0 HG2 PRO A 422 26.963 0.992 -14.537 1.00 0.00 H new ATOM 0 HG3 PRO A 422 25.258 1.332 -14.315 1.00 0.00 H new ATOM 0 HD2 PRO A 422 27.009 -0.610 -12.800 1.00 0.00 H new ATOM 0 HD3 PRO A 422 25.792 0.487 -12.178 1.00 0.00 H new ATOM 950 N TYR A 423 25.617 -3.665 -14.213 1.00 0.00 N ATOM 951 CA TYR A 423 25.925 -5.067 -14.525 1.00 0.00 C ATOM 952 C TYR A 423 25.207 -6.006 -13.553 1.00 0.00 C ATOM 953 O TYR A 423 25.508 -7.208 -13.488 1.00 0.00 O ATOM 954 CB TYR A 423 27.443 -5.291 -14.447 1.00 0.00 C ATOM 955 CG TYR A 423 28.236 -4.492 -15.464 1.00 0.00 C ATOM 956 CD1 TYR A 423 28.647 -3.184 -15.180 1.00 0.00 C ATOM 957 CD2 TYR A 423 28.572 -5.025 -16.701 1.00 0.00 C ATOM 958 CE1 TYR A 423 29.375 -2.460 -16.121 1.00 0.00 C ATOM 959 CE2 TYR A 423 29.287 -4.298 -17.630 1.00 0.00 C ATOM 960 CZ TYR A 423 29.689 -3.014 -17.326 1.00 0.00 C ATOM 961 OH TYR A 423 30.409 -2.287 -18.259 1.00 0.00 O ATOM 0 H TYR A 423 26.006 -3.333 -13.330 1.00 0.00 H new ATOM 0 HA TYR A 423 25.578 -5.286 -15.535 1.00 0.00 H new ATOM 0 HB2 TYR A 423 27.788 -5.030 -13.446 1.00 0.00 H new ATOM 0 HB3 TYR A 423 27.652 -6.351 -14.590 1.00 0.00 H new ATOM 0 HD1 TYR A 423 28.399 -2.736 -14.229 1.00 0.00 H new ATOM 0 HD2 TYR A 423 28.266 -6.033 -16.942 1.00 0.00 H new ATOM 0 HE1 TYR A 423 29.693 -1.453 -15.894 1.00 0.00 H new ATOM 0 HE2 TYR A 423 29.530 -4.731 -18.589 1.00 0.00 H new ATOM 0 HH TYR A 423 30.547 -2.831 -19.062 1.00 0.00 H new ATOM 971 N GLY A 424 24.249 -5.461 -12.792 1.00 0.00 N ATOM 972 CA GLY A 424 23.509 -6.265 -11.820 1.00 0.00 C ATOM 973 C GLY A 424 24.405 -6.888 -10.771 1.00 0.00 C ATOM 974 O GLY A 424 25.464 -6.339 -10.445 1.00 0.00 O ATOM 0 H GLY A 424 23.973 -4.480 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 424 22.764 -5.639 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 424 22.968 -7.053 -12.344 1.00 0.00 H new ATOM 978 N PRO A 425 24.008 -8.047 -10.209 1.00 0.00 N ATOM 979 CA PRO A 425 24.816 -8.758 -9.208 1.00 0.00 C ATOM 980 C PRO A 425 25.975 -9.521 -9.836 1.00 0.00 C ATOM 981 O PRO A 425 26.982 -9.790 -9.180 1.00 0.00 O ATOM 982 CB PRO A 425 23.807 -9.712 -8.561 1.00 0.00 C ATOM 983 CG PRO A 425 22.828 -10.011 -9.646 1.00 0.00 C ATOM 984 CD PRO A 425 22.741 -8.761 -10.510 1.00 0.00 C ATOM 0 HA PRO A 425 25.290 -8.080 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 425 24.292 -10.620 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 425 23.319 -9.251 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 425 23.153 -10.868 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 425 21.853 -10.263 -9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 425 22.661 -9.009 -11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 425 21.869 -8.157 -10.257 1.00 0.00 H new ATOM 992 N SER A 426 25.851 -9.825 -11.138 1.00 0.00 N ATOM 993 CA SER A 426 26.907 -10.501 -11.891 1.00 0.00 C ATOM 994 C SER A 426 28.028 -9.510 -12.223 1.00 0.00 C ATOM 995 O SER A 426 28.990 -9.860 -12.901 1.00 0.00 O ATOM 996 CB SER A 426 26.331 -11.128 -13.178 1.00 0.00 C ATOM 997 OG SER A 426 27.329 -11.838 -13.896 1.00 0.00 O ATOM 0 H SER A 426 25.021 -9.609 -11.690 1.00 0.00 H new ATOM 0 HA SER A 426 27.322 -11.302 -11.280 1.00 0.00 H new ATOM 0 HB2 SER A 426 25.514 -11.803 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 426 25.912 -10.345 -13.811 1.00 0.00 H new ATOM 0 HG SER A 426 28.206 -11.438 -13.719 1.00 0.00 H new ATOM 1003 N CYS A 427 27.877 -8.299 -11.709 1.00 0.00 N ATOM 1004 CA CYS A 427 28.868 -7.238 -11.849 1.00 0.00 C ATOM 1005 C CYS A 427 30.262 -7.739 -11.473 1.00 0.00 C ATOM 1006 O CYS A 427 30.517 -8.102 -10.338 1.00 0.00 O ATOM 1007 CB CYS A 427 28.463 -6.078 -10.951 1.00 0.00 C ATOM 1008 SG CYS A 427 29.533 -4.602 -11.012 1.00 0.00 S ATOM 0 H CYS A 427 27.053 -8.020 -11.176 1.00 0.00 H new ATOM 0 HA CYS A 427 28.905 -6.911 -12.888 1.00 0.00 H new ATOM 0 HB2 CYS A 427 27.449 -5.778 -11.215 1.00 0.00 H new ATOM 0 HB3 CYS A 427 28.431 -6.436 -9.922 1.00 0.00 H new ATOM 0 HG CYS A 427 28.921 -3.648 -11.648 1.00 0.00 H new ATOM 1013 N TYR A 428 31.163 -7.732 -12.457 1.00 0.00 N ATOM 1014 CA TYR A 428 32.536 -8.181 -12.267 1.00 0.00 C ATOM 1015 C TYR A 428 33.497 -6.980 -12.272 1.00 0.00 C ATOM 1016 O TYR A 428 34.705 -7.123 -12.428 1.00 0.00 O ATOM 1017 CB TYR A 428 32.909 -9.174 -13.391 1.00 0.00 C ATOM 1018 CG TYR A 428 32.291 -8.822 -14.738 1.00 0.00 C ATOM 1019 CD1 TYR A 428 32.938 -7.953 -15.605 1.00 0.00 C ATOM 1020 CD2 TYR A 428 31.069 -9.358 -15.130 1.00 0.00 C ATOM 1021 CE1 TYR A 428 32.366 -7.627 -16.825 1.00 0.00 C ATOM 1022 CE2 TYR A 428 30.504 -9.023 -16.340 1.00 0.00 C ATOM 1023 CZ TYR A 428 31.160 -8.146 -17.186 1.00 0.00 C ATOM 1024 OH TYR A 428 30.605 -7.823 -18.392 1.00 0.00 O ATOM 0 H TYR A 428 30.958 -7.415 -13.405 1.00 0.00 H new ATOM 0 HA TYR A 428 32.621 -8.681 -11.302 1.00 0.00 H new ATOM 0 HB2 TYR A 428 33.994 -9.204 -13.494 1.00 0.00 H new ATOM 0 HB3 TYR A 428 32.588 -10.175 -13.103 1.00 0.00 H new ATOM 0 HD1 TYR A 428 33.892 -7.529 -15.328 1.00 0.00 H new ATOM 0 HD2 TYR A 428 30.556 -10.047 -14.476 1.00 0.00 H new ATOM 0 HE1 TYR A 428 32.882 -6.955 -17.495 1.00 0.00 H new ATOM 0 HE2 TYR A 428 29.552 -9.443 -16.628 1.00 0.00 H new ATOM 0 HH TYR A 428 29.744 -8.282 -18.489 1.00 0.00 H new ATOM 1034 N ARG A 429 32.906 -5.798 -12.102 1.00 0.00 N ATOM 1035 CA ARG A 429 33.665 -4.547 -12.044 1.00 0.00 C ATOM 1036 C ARG A 429 34.329 -4.431 -10.675 1.00 0.00 C ATOM 1037 O ARG A 429 33.734 -3.882 -9.733 1.00 0.00 O ATOM 1038 CB ARG A 429 32.732 -3.364 -12.306 1.00 0.00 C ATOM 1039 CG ARG A 429 31.935 -3.473 -13.603 1.00 0.00 C ATOM 1040 CD ARG A 429 32.820 -3.369 -14.836 1.00 0.00 C ATOM 1041 NE ARG A 429 33.351 -2.012 -15.008 1.00 0.00 N ATOM 1042 CZ ARG A 429 34.121 -1.637 -16.029 1.00 0.00 C ATOM 1043 NH1 ARG A 429 34.490 -2.509 -16.943 1.00 0.00 N ATOM 1044 NH2 ARG A 429 34.518 -0.372 -16.134 1.00 0.00 N ATOM 0 H ARG A 429 31.898 -5.679 -12.001 1.00 0.00 H new ATOM 0 HA ARG A 429 34.440 -4.542 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 429 32.037 -3.272 -11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 429 33.323 -2.448 -12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 429 31.402 -4.424 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 429 31.182 -2.685 -13.631 1.00 0.00 H new ATOM 0 HD2 ARG A 429 33.646 -4.075 -14.752 1.00 0.00 H new ATOM 0 HD3 ARG A 429 32.248 -3.651 -15.720 1.00 0.00 H new ATOM 0 HE ARG A 429 33.116 -1.313 -14.303 1.00 0.00 H new ATOM 0 HH11 ARG A 429 34.187 -3.480 -16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 429 35.079 -2.214 -17.721 1.00 0.00 H new ATOM 0 HH21 ARG A 429 34.233 0.312 -15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 429 35.107 -0.086 -16.916 1.00 0.00 H new ATOM 1058 N LYS A 430 35.533 -4.976 -10.550 1.00 0.00 N ATOM 1059 CA LYS A 430 36.238 -4.980 -9.292 1.00 0.00 C ATOM 1060 C LYS A 430 36.778 -3.600 -8.958 1.00 0.00 C ATOM 1061 O LYS A 430 37.855 -3.210 -9.405 1.00 0.00 O ATOM 1062 CB LYS A 430 37.361 -6.034 -9.280 1.00 0.00 C ATOM 1063 CG LYS A 430 36.869 -7.459 -9.461 1.00 0.00 C ATOM 1064 CD LYS A 430 37.953 -8.490 -9.178 1.00 0.00 C ATOM 1065 CE LYS A 430 39.130 -8.346 -10.130 1.00 0.00 C ATOM 1066 NZ LYS A 430 38.724 -8.536 -11.551 1.00 0.00 N ATOM 0 H LYS A 430 36.037 -5.422 -11.316 1.00 0.00 H new ATOM 0 HA LYS A 430 35.522 -5.253 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 430 38.072 -5.802 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 430 37.902 -5.964 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 430 36.023 -7.635 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 430 36.507 -7.588 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 430 38.300 -8.380 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 430 37.534 -9.492 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 430 39.576 -7.359 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 430 39.897 -9.076 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 39.573 -8.633 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 38.143 -9.395 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 38.172 -7.713 -11.867 1.00 0.00 H new ATOM 1080 N ASN A 431 35.974 -2.851 -8.222 1.00 0.00 N ATOM 1081 CA ASN A 431 36.374 -1.542 -7.725 1.00 0.00 C ATOM 1082 C ASN A 431 35.575 -1.259 -6.455 1.00 0.00 C ATOM 1083 O ASN A 431 34.347 -1.324 -6.460 1.00 0.00 O ATOM 1084 CB ASN A 431 36.066 -0.446 -8.746 1.00 0.00 C ATOM 1085 CG ASN A 431 36.522 0.941 -8.278 1.00 0.00 C ATOM 1086 OD1 ASN A 431 37.603 1.082 -7.728 1.00 0.00 O ATOM 1087 ND2 ASN A 431 35.672 1.927 -8.456 1.00 0.00 N ATOM 0 H ASN A 431 35.031 -3.130 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 431 37.447 -1.545 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 431 36.556 -0.686 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 431 34.993 -0.426 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 431 35.903 2.865 -8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 431 34.781 1.755 -8.922 1.00 0.00 H new ATOM 1094 N PRO A 432 36.270 -0.928 -5.350 1.00 0.00 N ATOM 1095 CA PRO A 432 35.610 -0.683 -4.070 1.00 0.00 C ATOM 1096 C PRO A 432 34.589 0.449 -4.173 1.00 0.00 C ATOM 1097 O PRO A 432 33.484 0.351 -3.647 1.00 0.00 O ATOM 1098 CB PRO A 432 36.759 -0.333 -3.118 1.00 0.00 C ATOM 1099 CG PRO A 432 37.905 0.047 -4.005 1.00 0.00 C ATOM 1100 CD PRO A 432 37.718 -0.733 -5.280 1.00 0.00 C ATOM 0 HA PRO A 432 35.038 -1.544 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 432 36.485 0.488 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 432 37.017 -1.181 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 432 37.909 1.119 -4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 432 38.859 -0.195 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 432 38.092 -0.185 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 432 38.250 -1.684 -5.251 1.00 0.00 H new ATOM 1108 N GLN A 433 34.954 1.493 -4.925 1.00 0.00 N ATOM 1109 CA GLN A 433 34.083 2.673 -5.072 1.00 0.00 C ATOM 1110 C GLN A 433 32.840 2.327 -5.881 1.00 0.00 C ATOM 1111 O GLN A 433 31.790 2.950 -5.710 1.00 0.00 O ATOM 1112 CB GLN A 433 34.869 3.818 -5.750 1.00 0.00 C ATOM 1113 CG GLN A 433 34.099 5.117 -5.871 1.00 0.00 C ATOM 1114 CD GLN A 433 33.692 5.702 -4.523 1.00 0.00 C ATOM 1115 OE1 GLN A 433 32.526 5.312 -4.037 1.00 0.00 O flip ATOM 1116 NE2 GLN A 433 34.438 6.490 -3.932 1.00 0.00 N flip ATOM 0 H GLN A 433 35.834 1.549 -5.437 1.00 0.00 H new ATOM 0 HA GLN A 433 33.761 2.999 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 433 35.782 4.002 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 433 35.172 3.495 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 433 34.709 5.845 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 433 33.205 4.947 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 433 35.328 6.760 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 433 34.163 6.870 -3.026 1.00 0.00 H new ATOM 1125 N HIS A 434 32.956 1.319 -6.738 1.00 0.00 N ATOM 1126 CA HIS A 434 31.840 0.901 -7.592 1.00 0.00 C ATOM 1127 C HIS A 434 30.689 0.364 -6.744 1.00 0.00 C ATOM 1128 O HIS A 434 29.585 0.894 -6.767 1.00 0.00 O ATOM 1129 CB HIS A 434 32.280 -0.153 -8.601 1.00 0.00 C ATOM 1130 CG HIS A 434 31.134 -0.788 -9.335 1.00 0.00 C ATOM 1131 ND1 HIS A 434 30.239 -0.085 -10.095 1.00 0.00 N ATOM 1132 CD2 HIS A 434 30.723 -2.078 -9.351 1.00 0.00 C ATOM 1133 CE1 HIS A 434 29.316 -0.940 -10.541 1.00 0.00 C ATOM 1134 NE2 HIS A 434 29.560 -2.173 -10.116 1.00 0.00 N ATOM 0 H HIS A 434 33.809 0.774 -6.863 1.00 0.00 H new ATOM 0 HA HIS A 434 31.498 1.778 -8.142 1.00 0.00 H new ATOM 0 HB2 HIS A 434 32.956 0.305 -9.323 1.00 0.00 H new ATOM 0 HB3 HIS A 434 32.845 -0.928 -8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 434 31.215 -2.900 -8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 434 28.480 -0.664 -11.166 1.00 0.00 H new ATOM 0 HE2 HIS A 434 29.013 -3.012 -10.308 1.00 0.00 H new ATOM 1142 N LYS A 435 30.958 -0.716 -6.011 1.00 0.00 N ATOM 1143 CA LYS A 435 29.950 -1.357 -5.174 1.00 0.00 C ATOM 1144 C LYS A 435 29.435 -0.407 -4.093 1.00 0.00 C ATOM 1145 O LYS A 435 28.362 -0.634 -3.525 1.00 0.00 O ATOM 1146 CB LYS A 435 30.488 -2.653 -4.535 1.00 0.00 C ATOM 1147 CG LYS A 435 30.794 -3.775 -5.525 1.00 0.00 C ATOM 1148 CD LYS A 435 32.219 -3.712 -6.078 1.00 0.00 C ATOM 1149 CE LYS A 435 33.258 -4.046 -5.012 1.00 0.00 C ATOM 1150 NZ LYS A 435 33.173 -5.461 -4.559 1.00 0.00 N ATOM 0 H LYS A 435 31.873 -1.166 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 435 29.115 -1.619 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 435 31.397 -2.418 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 435 29.758 -3.015 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 435 30.643 -4.736 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 435 30.086 -3.725 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 435 32.316 -4.409 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 435 32.412 -2.714 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 435 34.255 -3.854 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 435 33.122 -3.385 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 34.030 -5.706 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 32.338 -5.581 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 33.091 -6.086 -5.386 1.00 0.00 H new ATOM 1164 N ILE A 436 30.185 0.640 -3.820 1.00 0.00 N ATOM 1165 CA ILE A 436 29.754 1.656 -2.869 1.00 0.00 C ATOM 1166 C ILE A 436 28.616 2.517 -3.435 1.00 0.00 C ATOM 1167 O ILE A 436 27.540 2.627 -2.839 1.00 0.00 O ATOM 1168 CB ILE A 436 30.955 2.562 -2.453 1.00 0.00 C ATOM 1169 CG1 ILE A 436 31.932 1.779 -1.561 1.00 0.00 C ATOM 1170 CG2 ILE A 436 30.462 3.810 -1.733 1.00 0.00 C ATOM 1171 CD1 ILE A 436 33.186 2.539 -1.198 1.00 0.00 C ATOM 0 H ILE A 436 31.098 0.814 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 436 29.376 1.138 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 436 31.481 2.872 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 436 31.418 1.491 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 436 32.214 0.858 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 436 31.314 4.428 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 436 29.806 4.376 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 436 29.912 3.520 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 436 33.820 1.915 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 436 33.726 2.804 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 436 32.918 3.447 -0.657 1.00 0.00 H new ATOM 1183 N GLU A 437 28.861 3.129 -4.582 1.00 0.00 N ATOM 1184 CA GLU A 437 27.881 4.022 -5.192 1.00 0.00 C ATOM 1185 C GLU A 437 26.739 3.265 -5.861 1.00 0.00 C ATOM 1186 O GLU A 437 25.624 3.782 -5.949 1.00 0.00 O ATOM 1187 CB GLU A 437 28.586 4.927 -6.217 1.00 0.00 C ATOM 1188 CG GLU A 437 29.699 5.775 -5.609 1.00 0.00 C ATOM 1189 CD GLU A 437 29.182 6.797 -4.600 1.00 0.00 C ATOM 1190 OE1 GLU A 437 29.017 6.448 -3.404 1.00 0.00 O ATOM 1191 OE2 GLU A 437 28.916 7.956 -5.002 1.00 0.00 O ATOM 0 H GLU A 437 29.727 3.026 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 437 27.440 4.624 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 437 29.003 4.308 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 437 27.849 5.584 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 437 30.421 5.121 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 437 30.230 6.295 -6.406 1.00 0.00 H new ATOM 1198 N TYR A 438 27.015 2.054 -6.316 1.00 0.00 N ATOM 1199 CA TYR A 438 26.034 1.252 -7.057 1.00 0.00 C ATOM 1200 C TYR A 438 25.597 0.033 -6.259 1.00 0.00 C ATOM 1201 O TYR A 438 26.432 -0.792 -5.870 1.00 0.00 O ATOM 1202 CB TYR A 438 26.620 0.816 -8.408 1.00 0.00 C ATOM 1203 CG TYR A 438 26.861 1.963 -9.385 1.00 0.00 C ATOM 1204 CD1 TYR A 438 28.059 2.654 -9.378 1.00 0.00 C ATOM 1205 CD2 TYR A 438 25.886 2.343 -10.309 1.00 0.00 C ATOM 1206 CE1 TYR A 438 28.284 3.689 -10.252 1.00 0.00 C ATOM 1207 CE2 TYR A 438 26.117 3.374 -11.180 1.00 0.00 C ATOM 1208 CZ TYR A 438 27.308 4.050 -11.152 1.00 0.00 C ATOM 1209 OH TYR A 438 27.541 5.087 -12.024 1.00 0.00 O ATOM 0 H TYR A 438 27.917 1.595 -6.188 1.00 0.00 H new ATOM 0 HA TYR A 438 25.155 1.873 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 438 27.563 0.299 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 438 25.944 0.097 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 438 28.829 2.375 -8.674 1.00 0.00 H new ATOM 0 HD2 TYR A 438 24.942 1.820 -10.337 1.00 0.00 H new ATOM 0 HE1 TYR A 438 29.225 4.218 -10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 438 25.356 3.656 -11.893 1.00 0.00 H new ATOM 0 HH TYR A 438 26.755 5.217 -12.595 1.00 0.00 H new ATOM 1219 N ARG A 439 24.289 -0.080 -6.033 1.00 0.00 N ATOM 1220 CA ARG A 439 23.727 -1.205 -5.293 1.00 0.00 C ATOM 1221 C ARG A 439 23.647 -2.441 -6.186 1.00 0.00 C ATOM 1222 O ARG A 439 23.107 -2.395 -7.295 1.00 0.00 O ATOM 1223 CB ARG A 439 22.329 -0.853 -4.743 1.00 0.00 C ATOM 1224 CG ARG A 439 21.396 -0.211 -5.748 1.00 0.00 C ATOM 1225 CD ARG A 439 20.172 0.429 -5.085 1.00 0.00 C ATOM 1226 NE ARG A 439 19.117 -0.534 -4.751 1.00 0.00 N ATOM 1227 CZ ARG A 439 17.959 -0.634 -5.398 1.00 0.00 C ATOM 1228 NH1 ARG A 439 17.737 0.070 -6.509 1.00 0.00 N ATOM 1229 NH2 ARG A 439 17.038 -1.466 -4.938 1.00 0.00 N ATOM 0 H ARG A 439 23.597 0.598 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 439 24.384 -1.422 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 439 21.863 -1.763 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 439 22.447 -0.179 -3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 439 21.939 0.548 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 439 21.066 -0.963 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 439 20.487 0.941 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 439 19.763 1.188 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 439 19.282 -1.169 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 439 18.459 0.693 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 439 16.845 -0.015 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 439 17.222 -2.018 -4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 439 16.144 -1.555 -5.421 1.00 0.00 H new ATOM 1243 N HIS A 440 24.213 -3.528 -5.694 1.00 0.00 N ATOM 1244 CA HIS A 440 24.188 -4.810 -6.401 1.00 0.00 C ATOM 1245 C HIS A 440 23.154 -5.720 -5.758 1.00 0.00 C ATOM 1246 O HIS A 440 23.460 -6.520 -4.878 1.00 0.00 O ATOM 1247 CB HIS A 440 25.582 -5.460 -6.379 1.00 0.00 C ATOM 1248 CG HIS A 440 26.627 -4.644 -7.074 1.00 0.00 C ATOM 1249 ND1 HIS A 440 27.036 -3.404 -6.650 1.00 0.00 N ATOM 1250 CD2 HIS A 440 27.323 -4.911 -8.201 1.00 0.00 C ATOM 1251 CE1 HIS A 440 27.953 -2.947 -7.509 1.00 0.00 C ATOM 1252 NE2 HIS A 440 28.172 -3.827 -8.488 1.00 0.00 N ATOM 0 H HIS A 440 24.702 -3.555 -4.799 1.00 0.00 H new ATOM 0 HA HIS A 440 23.913 -4.645 -7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 440 25.884 -5.620 -5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 440 25.525 -6.442 -6.849 1.00 0.00 H new ATOM 0 HD1 HIS A 440 26.698 -2.915 -5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 440 27.240 -5.814 -8.788 1.00 0.00 H new ATOM 0 HE1 HIS A 440 28.450 -1.992 -7.422 1.00 0.00 H new ATOM 1260 N ASN A 441 21.913 -5.576 -6.192 1.00 0.00 N ATOM 1261 CA ASN A 441 20.806 -6.324 -5.605 1.00 0.00 C ATOM 1262 C ASN A 441 20.944 -7.804 -5.956 1.00 0.00 C ATOM 1263 O ASN A 441 20.929 -8.177 -7.137 1.00 0.00 O ATOM 1264 CB ASN A 441 19.466 -5.794 -6.116 1.00 0.00 C ATOM 1265 CG ASN A 441 19.178 -4.379 -5.638 1.00 0.00 C ATOM 1266 OD1 ASN A 441 18.454 -3.620 -6.429 1.00 0.00 O flip ATOM 1267 ND2 ASN A 441 19.612 -3.963 -4.552 1.00 0.00 N flip ATOM 0 H ASN A 441 21.643 -4.948 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 441 20.837 -6.201 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 441 19.463 -5.813 -7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 441 18.667 -6.456 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 441 20.172 -4.575 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 441 19.409 -3.009 -4.253 1.00 0.00 H new ATOM 1274 N THR A 442 21.103 -8.625 -4.928 1.00 0.00 N ATOM 1275 CA THR A 442 21.320 -10.046 -5.103 1.00 0.00 C ATOM 1276 C THR A 442 20.401 -10.813 -4.145 1.00 0.00 C ATOM 1277 O THR A 442 20.012 -10.297 -3.087 1.00 0.00 O ATOM 1278 CB THR A 442 22.792 -10.420 -4.811 1.00 0.00 C ATOM 1279 OG1 THR A 442 23.669 -9.391 -5.286 1.00 0.00 O ATOM 1280 CG2 THR A 442 23.166 -11.735 -5.495 1.00 0.00 C ATOM 0 H THR A 442 21.085 -8.322 -3.954 1.00 0.00 H new ATOM 0 HA THR A 442 21.096 -10.311 -6.136 1.00 0.00 H new ATOM 0 HB THR A 442 22.898 -10.531 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 442 24.598 -9.638 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 442 24.206 -11.977 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 442 22.522 -12.533 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 442 23.037 -11.634 -6.573 1.00 0.00 H new ATOM 1288 N LEU A 443 20.076 -12.042 -4.518 1.00 0.00 N ATOM 1289 CA LEU A 443 19.276 -12.928 -3.667 1.00 0.00 C ATOM 1290 C LEU A 443 20.155 -14.051 -3.112 1.00 0.00 C ATOM 1291 O LEU A 443 21.113 -14.468 -3.753 1.00 0.00 O ATOM 1292 CB LEU A 443 18.069 -13.472 -4.451 1.00 0.00 C ATOM 1293 CG LEU A 443 18.341 -13.898 -5.911 1.00 0.00 C ATOM 1294 CD1 LEU A 443 19.120 -15.207 -5.982 1.00 0.00 C ATOM 1295 CD2 LEU A 443 17.022 -14.025 -6.687 1.00 0.00 C ATOM 0 H LEU A 443 20.353 -12.455 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 443 18.885 -12.365 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 443 17.669 -14.331 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 443 17.291 -12.708 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 443 18.953 -13.121 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 443 19.291 -15.472 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 443 20.078 -15.088 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 443 18.548 -15.997 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 443 17.231 -14.326 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 443 16.390 -14.775 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 443 16.507 -13.065 -6.688 1.00 0.00 H new ATOM 1307 N PRO A 444 19.843 -14.527 -1.885 1.00 0.00 N ATOM 1308 CA PRO A 444 20.684 -15.537 -1.213 1.00 0.00 C ATOM 1309 C PRO A 444 20.711 -16.883 -1.949 1.00 0.00 C ATOM 1310 O PRO A 444 21.792 -17.434 -2.160 1.00 0.00 O ATOM 1311 CB PRO A 444 20.012 -15.691 0.171 1.00 0.00 C ATOM 1312 CG PRO A 444 18.611 -15.222 -0.029 1.00 0.00 C ATOM 1313 CD PRO A 444 18.704 -14.119 -1.063 1.00 0.00 C ATOM 0 HA PRO A 444 21.728 -15.227 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 444 20.037 -16.727 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 444 20.524 -15.096 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 444 17.970 -16.033 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 444 18.183 -14.853 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 444 17.790 -14.041 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 444 18.869 -13.146 -0.600 1.00 0.00 H new ATOM 1321 N VAL A 445 19.541 -17.372 -2.335 1.00 0.00 N ATOM 1322 CA VAL A 445 19.394 -18.658 -3.054 1.00 0.00 C ATOM 1323 C VAL A 445 20.257 -19.751 -2.425 1.00 0.00 C ATOM 1324 O VAL A 445 20.677 -20.716 -3.081 1.00 0.00 O ATOM 1325 CB VAL A 445 19.681 -18.518 -4.588 1.00 0.00 C ATOM 1326 CG1 VAL A 445 21.164 -18.313 -4.893 1.00 0.00 C ATOM 1327 CG2 VAL A 445 19.119 -19.698 -5.373 1.00 0.00 C ATOM 0 H VAL A 445 18.655 -16.896 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 445 18.351 -18.957 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 445 19.163 -17.616 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 445 21.305 -18.222 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 445 21.514 -17.404 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 445 21.733 -19.166 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 445 19.337 -19.567 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 445 19.578 -20.622 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 445 18.040 -19.751 -5.228 1.00 0.00 H new ATOM 1337 N ARG A 446 20.483 -19.627 -1.121 1.00 0.00 N ATOM 1338 CA ARG A 446 21.386 -20.505 -0.393 1.00 0.00 C ATOM 1339 C ARG A 446 20.687 -21.793 0.027 1.00 0.00 C ATOM 1340 O ARG A 446 20.080 -21.853 1.090 1.00 0.00 O ATOM 1341 CB ARG A 446 21.954 -19.795 0.837 1.00 0.00 C ATOM 1342 CG ARG A 446 23.104 -20.527 1.512 1.00 0.00 C ATOM 1343 CD ARG A 446 24.345 -20.593 0.643 1.00 0.00 C ATOM 1344 NE ARG A 446 25.526 -21.035 1.375 1.00 0.00 N ATOM 1345 CZ ARG A 446 26.732 -21.194 0.824 1.00 0.00 C ATOM 1346 NH1 ARG A 446 26.920 -20.971 -0.467 1.00 0.00 N ATOM 1347 NH2 ARG A 446 27.763 -21.562 1.585 1.00 0.00 N ATOM 0 H ARG A 446 20.043 -18.913 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 446 22.206 -20.763 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 446 22.294 -18.802 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 446 21.153 -19.655 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 446 23.348 -20.027 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 446 22.787 -21.539 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 446 24.164 -21.273 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 446 24.536 -19.609 0.215 1.00 0.00 H new ATOM 0 HE ARG A 446 25.425 -21.235 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 446 26.139 -20.674 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 446 27.846 -21.096 -0.877 1.00 0.00 H new ATOM 0 HH21 ARG A 446 27.629 -21.721 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 446 28.686 -21.685 1.169 1.00 0.00 H new ATOM 1361 N ASN A 447 20.805 -22.815 -0.822 1.00 0.00 N ATOM 1362 CA ASN A 447 20.128 -24.102 -0.678 1.00 0.00 C ATOM 1363 C ASN A 447 18.636 -23.966 -0.374 1.00 0.00 C ATOM 1364 O ASN A 447 17.792 -24.136 -1.245 1.00 0.00 O ATOM 1365 CB ASN A 447 20.828 -24.967 0.391 1.00 0.00 C ATOM 1366 CG ASN A 447 22.247 -25.364 0.014 1.00 0.00 C ATOM 1367 OD1 ASN A 447 22.530 -25.499 -1.268 1.00 0.00 O flip ATOM 1368 ND2 ASN A 447 23.105 -25.527 0.889 1.00 0.00 N flip ATOM 0 H ASN A 447 21.393 -22.767 -1.654 1.00 0.00 H new ATOM 0 HA ASN A 447 20.200 -24.601 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 447 20.850 -24.419 1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 447 20.239 -25.869 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 447 22.858 -25.416 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 447 24.060 -25.772 0.628 1.00 0.00 H new ATOM 1375 N VAL A 448 18.297 -23.623 0.878 1.00 0.00 N ATOM 1376 CA VAL A 448 16.905 -23.469 1.288 1.00 0.00 C ATOM 1377 C VAL A 448 16.644 -22.035 1.752 1.00 0.00 C ATOM 1378 O VAL A 448 17.569 -21.253 2.010 1.00 0.00 O ATOM 1379 CB VAL A 448 16.522 -24.471 2.428 1.00 0.00 C ATOM 1380 CG1 VAL A 448 16.703 -25.907 1.965 1.00 0.00 C ATOM 1381 CG2 VAL A 448 17.321 -24.168 3.697 1.00 0.00 C ATOM 0 H VAL A 448 18.974 -23.448 1.621 1.00 0.00 H new ATOM 0 HA VAL A 448 16.283 -23.691 0.421 1.00 0.00 H new ATOM 0 HB VAL A 448 15.467 -24.344 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 448 16.431 -26.587 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 448 16.064 -26.094 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 448 17.744 -26.071 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 448 17.042 -24.874 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 448 18.387 -24.261 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 448 17.104 -23.153 4.030 1.00 0.00 H new