USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=22 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 170:sc= -18.9! USER MOD Set 1.2: A 427 CYS SG : rot 148:sc= -7.95! USER MOD Set 1.3: A 434 HIS : no HD1:sc= -8.19! C(o=-44!,f=-78!) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -8.59! C(o=-44!,f=-73!) USER MOD Set 2.1: A 394 GLN : amide:sc= -2.09! K(o=-7.8!,f=-9.1) USER MOD Set 2.2: A 395 HIS : no HE2:sc= -5.68! C(o=-7.8!,f=-9.1!) USER MOD Set 3.1: A 379 CYS SG : rot -168:sc= -7.37! USER MOD Set 3.2: A 385 CYS SG : rot -130:sc= -5.84! USER MOD Set 3.3: A 392 HIS : no HD1:sc= -3.72! C(o=-28!,f=-62!) USER MOD Set 3.4: A 398 HIS : no HE2:sc= -11.3! C(o=-28!,f=-63!) USER MOD Single : A 377 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -159:sc= -0.187 (180deg=-0.645) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0031) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= -1.09 K(o=-1.1,f=-9.3!) USER MOD Single : A 397 SER OG : rot -111:sc= -1.95! 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 -22:sc= 0.131 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -4.44! C(o=-4.4!,f=-4.8!) USER MOD Single : A 433 GLN : amide:sc= 0.376 X(o=0.38,f=-0.017) USER MOD Single : A 435 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0128) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.56) USER MOD Single : A 442 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 447 ASN :FLIP amide:sc= -0.879 F(o=-1.9!,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -6.306 12.378 -6.889 1.00 0.00 N ATOM 257 CA ARG A 376 -5.078 12.028 -7.607 1.00 0.00 C ATOM 258 C ARG A 376 -4.136 11.215 -6.738 1.00 0.00 C ATOM 259 O ARG A 376 -4.344 11.082 -5.533 1.00 0.00 O ATOM 260 CB ARG A 376 -4.345 13.273 -8.102 1.00 0.00 C ATOM 261 CG ARG A 376 -4.997 13.963 -9.293 1.00 0.00 C ATOM 262 CD ARG A 376 -6.103 14.907 -8.870 1.00 0.00 C ATOM 263 NE ARG A 376 -5.589 16.021 -8.036 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.290 17.119 -7.741 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.522 17.278 -8.184 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.744 18.062 -6.994 1.00 0.00 N ATOM 0 HA ARG A 376 -5.382 11.427 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.273 13.986 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.327 12.995 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.241 14.517 -9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.402 13.211 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.593 15.312 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.859 14.354 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.642 15.944 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.954 16.556 -8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -8.043 18.123 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.792 17.949 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -6.275 18.903 -6.766 1.00 0.00 H new ATOM 280 N THR A 377 -3.105 10.674 -7.374 1.00 0.00 N ATOM 281 CA THR A 377 -2.061 9.948 -6.686 1.00 0.00 C ATOM 282 C THR A 377 -0.698 10.455 -7.135 1.00 0.00 C ATOM 283 O THR A 377 -0.610 11.175 -8.142 1.00 0.00 O ATOM 284 CB THR A 377 -2.182 8.419 -6.919 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.109 7.724 -6.275 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.197 8.091 -8.399 1.00 0.00 C ATOM 0 H THR A 377 -2.975 10.730 -8.384 1.00 0.00 H new ATOM 0 HA THR A 377 -2.172 10.123 -5.616 1.00 0.00 H new ATOM 0 HB THR A 377 -3.126 8.091 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.203 6.761 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.283 7.013 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 377 -3.047 8.583 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.273 8.441 -8.859 1.00 0.00 H new ATOM 294 N SER A 378 0.349 10.111 -6.406 1.00 0.00 N ATOM 295 CA SER A 378 1.680 10.666 -6.633 1.00 0.00 C ATOM 296 C SER A 378 2.196 10.373 -8.051 1.00 0.00 C ATOM 297 O SER A 378 2.449 9.228 -8.400 1.00 0.00 O ATOM 298 CB SER A 378 2.649 10.110 -5.596 1.00 0.00 C ATOM 299 OG SER A 378 2.142 10.297 -4.277 1.00 0.00 O ATOM 0 H SER A 378 0.305 9.440 -5.639 1.00 0.00 H new ATOM 0 HA SER A 378 1.611 11.749 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.815 9.048 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.615 10.605 -5.692 1.00 0.00 H new ATOM 0 HG SER A 378 2.778 9.932 -3.627 1.00 0.00 H new ATOM 305 N CYS A 379 2.332 11.437 -8.841 1.00 0.00 N ATOM 306 CA CYS A 379 2.931 11.357 -10.181 1.00 0.00 C ATOM 307 C CYS A 379 4.278 10.674 -10.069 1.00 0.00 C ATOM 308 O CYS A 379 5.190 11.199 -9.437 1.00 0.00 O ATOM 309 CB CYS A 379 3.091 12.772 -10.769 1.00 0.00 C ATOM 310 SG CYS A 379 3.664 12.884 -12.500 1.00 0.00 S ATOM 0 H CYS A 379 2.033 12.376 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 379 2.286 10.782 -10.846 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.130 13.281 -10.696 1.00 0.00 H new ATOM 0 HB3 CYS A 379 3.792 13.323 -10.143 1.00 0.00 H new ATOM 0 HG CYS A 379 3.986 14.114 -12.772 1.00 0.00 H new ATOM 315 N MET A 380 4.403 9.483 -10.679 1.00 0.00 N ATOM 316 CA MET A 380 5.611 8.661 -10.528 1.00 0.00 C ATOM 317 C MET A 380 6.865 9.455 -10.870 1.00 0.00 C ATOM 318 O MET A 380 7.959 9.158 -10.362 1.00 0.00 O ATOM 319 CB MET A 380 5.530 7.392 -11.377 1.00 0.00 C ATOM 320 CG MET A 380 5.528 7.647 -12.867 1.00 0.00 C ATOM 321 SD MET A 380 5.575 6.146 -13.852 1.00 0.00 S ATOM 322 CE MET A 380 7.173 5.482 -13.384 1.00 0.00 C ATOM 0 H MET A 380 3.686 9.072 -11.277 1.00 0.00 H new ATOM 0 HA MET A 380 5.673 8.363 -9.481 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.374 6.748 -11.130 1.00 0.00 H new ATOM 0 HB3 MET A 380 4.624 6.847 -11.111 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.636 8.216 -13.129 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.388 8.267 -13.123 1.00 0.00 H new ATOM 0 HE1 MET A 380 7.516 4.785 -14.149 1.00 0.00 H new ATOM 0 HE2 MET A 380 7.891 6.296 -13.287 1.00 0.00 H new ATOM 0 HE3 MET A 380 7.085 4.960 -12.431 1.00 0.00 H new ATOM 332 N TYR A 381 6.708 10.464 -11.732 1.00 0.00 N ATOM 333 CA TYR A 381 7.826 11.303 -12.111 1.00 0.00 C ATOM 334 C TYR A 381 7.897 12.517 -11.170 1.00 0.00 C ATOM 335 O TYR A 381 8.965 13.095 -10.986 1.00 0.00 O ATOM 336 CB TYR A 381 7.678 11.779 -13.544 1.00 0.00 C ATOM 337 CG TYR A 381 7.597 10.641 -14.554 1.00 0.00 C ATOM 338 CD1 TYR A 381 8.746 9.983 -14.981 1.00 0.00 C ATOM 339 CD2 TYR A 381 6.378 10.201 -15.060 1.00 0.00 C ATOM 340 CE1 TYR A 381 8.681 8.943 -15.893 1.00 0.00 C ATOM 341 CE2 TYR A 381 6.296 9.172 -15.936 1.00 0.00 C ATOM 342 CZ TYR A 381 7.450 8.543 -16.362 1.00 0.00 C ATOM 343 OH TYR A 381 7.378 7.493 -17.255 1.00 0.00 O ATOM 0 H TYR A 381 5.822 10.711 -12.172 1.00 0.00 H new ATOM 0 HA TYR A 381 8.743 10.719 -12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 381 6.780 12.391 -13.625 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.524 12.419 -13.796 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.707 10.289 -14.594 1.00 0.00 H new ATOM 0 HD2 TYR A 381 5.471 10.695 -14.745 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.582 8.453 -16.231 1.00 0.00 H new ATOM 0 HE2 TYR A 381 5.333 8.844 -16.300 1.00 0.00 H new ATOM 0 HH TYR A 381 6.441 7.329 -17.492 1.00 0.00 H new ATOM 353 N GLY A 382 6.769 12.891 -10.592 1.00 0.00 N ATOM 354 CA GLY A 382 6.741 14.026 -9.698 1.00 0.00 C ATOM 355 C GLY A 382 7.143 15.307 -10.392 1.00 0.00 C ATOM 356 O GLY A 382 6.468 15.742 -11.327 1.00 0.00 O ATOM 0 H GLY A 382 5.870 12.428 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.738 14.137 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.412 13.843 -8.859 1.00 0.00 H new ATOM 360 N ALA A 383 8.250 15.889 -9.963 1.00 0.00 N ATOM 361 CA ALA A 383 8.762 17.122 -10.557 1.00 0.00 C ATOM 362 C ALA A 383 9.502 16.837 -11.863 1.00 0.00 C ATOM 363 O ALA A 383 9.903 17.761 -12.581 1.00 0.00 O ATOM 364 CB ALA A 383 9.680 17.847 -9.564 1.00 0.00 C ATOM 0 H ALA A 383 8.819 15.527 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 383 7.915 17.768 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 383 10.055 18.764 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.119 18.092 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 383 10.519 17.201 -9.305 1.00 0.00 H new ATOM 370 N ASN A 384 9.678 15.560 -12.181 1.00 0.00 N ATOM 371 CA ASN A 384 10.495 15.159 -13.327 1.00 0.00 C ATOM 372 C ASN A 384 9.675 15.103 -14.623 1.00 0.00 C ATOM 373 O ASN A 384 10.218 15.308 -15.703 1.00 0.00 O ATOM 374 CB ASN A 384 11.158 13.801 -13.060 1.00 0.00 C ATOM 375 CG ASN A 384 12.158 13.868 -11.916 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.334 14.144 -12.124 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.694 13.603 -10.706 1.00 0.00 N ATOM 0 H ASN A 384 9.268 14.783 -11.664 1.00 0.00 H new ATOM 0 HA ASN A 384 11.268 15.916 -13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.391 13.063 -12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.664 13.461 -13.964 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.322 13.624 -9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.708 13.378 -10.576 1.00 0.00 H new ATOM 384 N CYS A 385 8.365 14.826 -14.525 1.00 0.00 N ATOM 385 CA CYS A 385 7.519 14.797 -15.717 1.00 0.00 C ATOM 386 C CYS A 385 7.317 16.227 -16.238 1.00 0.00 C ATOM 387 O CYS A 385 6.984 17.138 -15.479 1.00 0.00 O ATOM 388 CB CYS A 385 6.165 14.102 -15.449 1.00 0.00 C ATOM 389 SG CYS A 385 5.286 14.598 -13.932 1.00 0.00 S ATOM 0 H CYS A 385 7.881 14.624 -13.650 1.00 0.00 H new ATOM 0 HA CYS A 385 8.024 14.207 -16.481 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.510 14.290 -16.300 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.335 13.026 -15.409 1.00 0.00 H new ATOM 0 HG CYS A 385 4.941 13.537 -13.264 1.00 0.00 H new ATOM 394 N TYR A 386 7.555 16.414 -17.528 1.00 0.00 N ATOM 395 CA TYR A 386 7.523 17.736 -18.154 1.00 0.00 C ATOM 396 C TYR A 386 6.154 18.005 -18.757 1.00 0.00 C ATOM 397 O TYR A 386 5.995 18.869 -19.622 1.00 0.00 O ATOM 398 CB TYR A 386 8.618 17.847 -19.233 1.00 0.00 C ATOM 399 CG TYR A 386 8.595 16.704 -20.260 1.00 0.00 C ATOM 400 CD1 TYR A 386 7.706 16.708 -21.326 1.00 0.00 C ATOM 401 CD2 TYR A 386 9.479 15.625 -20.146 1.00 0.00 C ATOM 402 CE1 TYR A 386 7.674 15.680 -22.235 1.00 0.00 C ATOM 403 CE2 TYR A 386 9.459 14.594 -21.071 1.00 0.00 C ATOM 404 CZ TYR A 386 8.551 14.615 -22.111 1.00 0.00 C ATOM 405 OH TYR A 386 8.503 13.589 -23.021 1.00 0.00 O ATOM 0 H TYR A 386 7.776 15.656 -18.174 1.00 0.00 H new ATOM 0 HA TYR A 386 7.716 18.486 -17.387 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.504 18.796 -19.757 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.593 17.867 -18.747 1.00 0.00 H new ATOM 0 HD1 TYR A 386 7.025 17.538 -21.443 1.00 0.00 H new ATOM 0 HD2 TYR A 386 10.184 15.596 -19.328 1.00 0.00 H new ATOM 0 HE1 TYR A 386 6.964 15.702 -23.048 1.00 0.00 H new ATOM 0 HE2 TYR A 386 10.154 13.773 -20.979 1.00 0.00 H new ATOM 0 HH TYR A 386 9.183 12.920 -22.796 1.00 0.00 H new ATOM 415 N ARG A 387 5.160 17.230 -18.336 1.00 0.00 N ATOM 416 CA ARG A 387 3.798 17.362 -18.825 1.00 0.00 C ATOM 417 C ARG A 387 3.185 18.659 -18.296 1.00 0.00 C ATOM 418 O ARG A 387 3.471 19.074 -17.174 1.00 0.00 O ATOM 419 CB ARG A 387 2.931 16.179 -18.391 1.00 0.00 C ATOM 420 CG ARG A 387 3.473 14.818 -18.769 1.00 0.00 C ATOM 421 CD ARG A 387 3.548 14.621 -20.281 1.00 0.00 C ATOM 422 NE ARG A 387 4.040 13.278 -20.604 1.00 0.00 N ATOM 423 CZ ARG A 387 4.668 12.954 -21.741 1.00 0.00 C ATOM 424 NH1 ARG A 387 4.868 13.879 -22.683 1.00 0.00 N ATOM 425 NH2 ARG A 387 5.082 11.713 -21.928 1.00 0.00 N ATOM 0 H ARG A 387 5.280 16.491 -17.643 1.00 0.00 H new ATOM 0 HA ARG A 387 3.832 17.380 -19.914 1.00 0.00 H new ATOM 0 HB2 ARG A 387 2.807 16.216 -17.309 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.940 16.294 -18.830 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.467 14.694 -18.339 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.839 14.044 -18.335 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.562 14.768 -20.721 1.00 0.00 H new ATOM 0 HD3 ARG A 387 4.208 15.370 -20.718 1.00 0.00 H new ATOM 0 HE ARG A 387 3.894 12.540 -19.915 1.00 0.00 H new ATOM 0 HH11 ARG A 387 4.542 14.834 -22.537 1.00 0.00 H new ATOM 0 HH12 ARG A 387 5.347 13.630 -23.549 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.922 11.008 -21.208 1.00 0.00 H new ATOM 0 HH22 ARG A 387 5.561 11.460 -22.792 1.00 0.00 H new ATOM 439 N LYS A 388 2.347 19.285 -19.105 1.00 0.00 N ATOM 440 CA LYS A 388 1.661 20.518 -18.715 1.00 0.00 C ATOM 441 C LYS A 388 0.175 20.402 -19.001 1.00 0.00 C ATOM 442 O LYS A 388 -0.607 21.321 -18.711 1.00 0.00 O ATOM 443 CB LYS A 388 2.264 21.741 -19.434 1.00 0.00 C ATOM 444 CG LYS A 388 2.020 21.784 -20.952 1.00 0.00 C ATOM 445 CD LYS A 388 2.813 20.739 -21.713 1.00 0.00 C ATOM 446 CE LYS A 388 2.642 20.870 -23.214 1.00 0.00 C ATOM 447 NZ LYS A 388 3.335 19.776 -23.954 1.00 0.00 N ATOM 0 H LYS A 388 2.120 18.961 -20.045 1.00 0.00 H new ATOM 0 HA LYS A 388 1.800 20.664 -17.644 1.00 0.00 H new ATOM 0 HB2 LYS A 388 1.851 22.646 -18.988 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.339 21.758 -19.253 1.00 0.00 H new ATOM 0 HG2 LYS A 388 0.958 21.638 -21.147 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.280 22.774 -21.328 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.869 20.832 -21.460 1.00 0.00 H new ATOM 0 HD3 LYS A 388 2.496 19.745 -21.398 1.00 0.00 H new ATOM 0 HE2 LYS A 388 1.580 20.858 -23.460 1.00 0.00 H new ATOM 0 HE3 LYS A 388 3.034 21.833 -23.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.193 19.904 -24.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 4.352 19.803 -23.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 2.944 18.858 -23.662 1.00 0.00 H new ATOM 461 N ASN A 389 -0.214 19.261 -19.551 1.00 0.00 N ATOM 462 CA ASN A 389 -1.605 18.985 -19.883 1.00 0.00 C ATOM 463 C ASN A 389 -2.384 18.632 -18.612 1.00 0.00 C ATOM 464 O ASN A 389 -1.912 17.827 -17.813 1.00 0.00 O ATOM 465 CB ASN A 389 -1.705 17.842 -20.906 1.00 0.00 C ATOM 466 CG ASN A 389 -1.030 16.565 -20.422 1.00 0.00 C ATOM 467 OD1 ASN A 389 -0.047 16.593 -19.686 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.567 15.433 -20.831 1.00 0.00 N ATOM 0 H ASN A 389 0.425 18.500 -19.780 1.00 0.00 H new ATOM 0 HA ASN A 389 -2.040 19.879 -20.330 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.755 17.637 -21.116 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.248 18.157 -21.844 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.166 14.543 -20.536 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.384 15.447 -21.442 1.00 0.00 H new ATOM 475 N PRO A 390 -3.589 19.200 -18.427 1.00 0.00 N ATOM 476 CA PRO A 390 -4.355 19.048 -17.185 1.00 0.00 C ATOM 477 C PRO A 390 -4.729 17.579 -16.931 1.00 0.00 C ATOM 478 O PRO A 390 -5.023 17.189 -15.792 1.00 0.00 O ATOM 479 CB PRO A 390 -5.603 19.933 -17.404 1.00 0.00 C ATOM 480 CG PRO A 390 -5.696 20.090 -18.879 1.00 0.00 C ATOM 481 CD PRO A 390 -4.299 20.032 -19.418 1.00 0.00 C ATOM 0 HA PRO A 390 -3.789 19.348 -16.303 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.499 19.463 -16.998 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.497 20.898 -16.908 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.309 19.300 -19.312 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -6.169 21.038 -19.136 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -4.269 19.587 -20.413 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.858 21.025 -19.500 1.00 0.00 H new ATOM 489 N VAL A 391 -4.707 16.778 -17.989 1.00 0.00 N ATOM 490 CA VAL A 391 -5.033 15.357 -17.875 1.00 0.00 C ATOM 491 C VAL A 391 -3.975 14.652 -17.036 1.00 0.00 C ATOM 492 O VAL A 391 -4.311 13.886 -16.145 1.00 0.00 O ATOM 493 CB VAL A 391 -5.167 14.661 -19.253 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.286 13.147 -19.106 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.368 15.235 -20.000 1.00 0.00 C ATOM 0 H VAL A 391 -4.468 17.084 -18.932 1.00 0.00 H new ATOM 0 HA VAL A 391 -6.005 15.287 -17.388 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.263 14.855 -19.830 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.378 12.692 -20.092 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.397 12.759 -18.609 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.168 12.907 -18.512 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.462 14.745 -20.969 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.274 15.065 -19.418 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.227 16.306 -20.147 1.00 0.00 H new ATOM 505 N HIS A 392 -2.694 14.945 -17.283 1.00 0.00 N ATOM 506 CA HIS A 392 -1.613 14.337 -16.508 1.00 0.00 C ATOM 507 C HIS A 392 -1.799 14.638 -15.020 1.00 0.00 C ATOM 508 O HIS A 392 -1.396 13.845 -14.150 1.00 0.00 O ATOM 509 CB HIS A 392 -0.254 14.850 -16.989 1.00 0.00 C ATOM 510 CG HIS A 392 0.916 14.257 -16.253 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.393 12.973 -16.456 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.693 14.780 -15.266 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.417 12.768 -15.638 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.650 13.837 -14.879 1.00 0.00 N ATOM 0 H HIS A 392 -2.384 15.593 -18.007 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.644 13.257 -16.655 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.150 14.633 -18.052 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.227 15.934 -16.881 1.00 0.00 H new ATOM 0 HD2 HIS A 392 1.587 15.770 -14.847 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.988 11.852 -15.593 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.373 13.945 -14.167 1.00 0.00 H new ATOM 522 N PHE A 393 -2.441 15.760 -14.733 1.00 0.00 N ATOM 523 CA PHE A 393 -2.628 16.223 -13.362 1.00 0.00 C ATOM 524 C PHE A 393 -4.001 15.816 -12.802 1.00 0.00 C ATOM 525 O PHE A 393 -4.222 15.868 -11.603 1.00 0.00 O ATOM 526 CB PHE A 393 -2.465 17.748 -13.300 1.00 0.00 C ATOM 527 CG PHE A 393 -1.103 18.236 -13.743 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.817 18.423 -15.092 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.105 18.498 -12.829 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.426 18.859 -15.499 1.00 0.00 C ATOM 531 CE2 PHE A 393 1.140 18.930 -13.226 1.00 0.00 C ATOM 532 CZ PHE A 393 1.406 19.111 -14.558 1.00 0.00 C ATOM 0 H PHE A 393 -2.846 16.375 -15.439 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.867 15.747 -12.744 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.228 18.211 -13.926 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.645 18.082 -12.278 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.579 18.224 -15.830 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.305 18.361 -11.777 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.633 19.003 -16.549 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.905 19.126 -12.490 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.382 19.451 -14.872 1.00 0.00 H new ATOM 542 N GLN A 394 -4.902 15.385 -13.675 1.00 0.00 N ATOM 543 CA GLN A 394 -6.276 15.052 -13.245 1.00 0.00 C ATOM 544 C GLN A 394 -6.304 13.703 -12.533 1.00 0.00 C ATOM 545 O GLN A 394 -7.242 13.414 -11.797 1.00 0.00 O ATOM 546 CB GLN A 394 -7.240 15.088 -14.455 1.00 0.00 C ATOM 547 CG GLN A 394 -7.161 13.887 -15.398 1.00 0.00 C ATOM 548 CD GLN A 394 -8.012 12.694 -14.987 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.629 11.548 -15.214 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.162 12.950 -14.389 1.00 0.00 N ATOM 0 H GLN A 394 -4.723 15.256 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.616 15.801 -12.530 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.261 15.167 -14.081 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -7.040 15.992 -15.030 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.465 14.206 -16.395 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.122 13.567 -15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.444 13.915 -14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.767 12.182 -14.098 1.00 0.00 H new ATOM 559 N HIS A 395 -5.263 12.895 -12.740 1.00 0.00 N ATOM 560 CA HIS A 395 -5.184 11.576 -12.087 1.00 0.00 C ATOM 561 C HIS A 395 -3.916 11.434 -11.257 1.00 0.00 C ATOM 562 O HIS A 395 -3.868 10.594 -10.340 1.00 0.00 O ATOM 563 CB HIS A 395 -5.328 10.427 -13.103 1.00 0.00 C ATOM 564 CG HIS A 395 -4.429 10.506 -14.298 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.382 9.648 -14.511 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.442 11.341 -15.345 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.779 9.965 -15.627 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.405 10.989 -16.162 1.00 0.00 N ATOM 0 H HIS A 395 -4.472 13.120 -13.343 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.028 11.507 -11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.138 9.485 -12.589 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.361 10.399 -13.449 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -3.114 8.881 -13.894 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.143 12.145 -15.513 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -1.913 9.469 -16.039 1.00 0.00 H new ATOM 577 N PHE A 396 -2.891 12.230 -11.549 1.00 0.00 N ATOM 578 CA PHE A 396 -1.652 12.224 -10.744 1.00 0.00 C ATOM 579 C PHE A 396 -1.275 13.650 -10.298 1.00 0.00 C ATOM 580 O PHE A 396 -1.178 14.553 -11.126 1.00 0.00 O ATOM 581 CB PHE A 396 -0.485 11.606 -11.542 1.00 0.00 C ATOM 582 CG PHE A 396 -0.523 10.090 -11.623 1.00 0.00 C ATOM 583 CD1 PHE A 396 -1.347 9.452 -12.517 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.268 9.320 -10.794 1.00 0.00 C ATOM 585 CE1 PHE A 396 -1.389 8.069 -12.586 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.234 7.936 -10.857 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.605 7.313 -11.762 1.00 0.00 C ATOM 0 H PHE A 396 -2.884 12.887 -12.330 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.838 11.617 -9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.494 12.013 -12.553 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.456 11.911 -11.084 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -1.972 10.037 -13.176 1.00 0.00 H new ATOM 0 HD2 PHE A 396 0.924 9.804 -10.085 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -2.045 7.586 -13.295 1.00 0.00 H new ATOM 0 HE2 PHE A 396 0.860 7.347 -10.203 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.640 6.235 -11.817 1.00 0.00 H new ATOM 597 N SER A 397 -1.071 13.828 -8.984 1.00 0.00 N ATOM 598 CA SER A 397 -0.664 15.115 -8.432 1.00 0.00 C ATOM 599 C SER A 397 0.856 15.262 -8.434 1.00 0.00 C ATOM 600 O SER A 397 1.592 14.292 -8.583 1.00 0.00 O ATOM 601 CB SER A 397 -1.199 15.256 -6.999 1.00 0.00 C ATOM 602 OG SER A 397 -2.611 15.342 -6.986 1.00 0.00 O ATOM 0 H SER A 397 -1.183 13.091 -8.288 1.00 0.00 H new ATOM 0 HA SER A 397 -1.081 15.903 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.879 14.402 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 397 -0.774 16.146 -6.535 1.00 0.00 H new ATOM 0 HG SER A 397 -2.881 16.246 -6.722 1.00 0.00 H new ATOM 608 N HIS A 398 1.326 16.496 -8.244 1.00 0.00 N ATOM 609 CA HIS A 398 2.739 16.833 -8.336 1.00 0.00 C ATOM 610 C HIS A 398 3.154 17.676 -7.142 1.00 0.00 C ATOM 611 O HIS A 398 2.300 18.192 -6.417 1.00 0.00 O ATOM 612 CB HIS A 398 2.981 17.589 -9.664 1.00 0.00 C ATOM 613 CG HIS A 398 2.726 16.741 -10.849 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.484 16.273 -11.173 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.572 16.231 -11.770 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.594 15.478 -12.236 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.861 15.428 -12.645 1.00 0.00 N ATOM 0 H HIS A 398 0.729 17.292 -8.021 1.00 0.00 H new ATOM 0 HA HIS A 398 3.344 15.926 -8.326 1.00 0.00 H new ATOM 0 HB2 HIS A 398 2.335 18.466 -9.703 1.00 0.00 H new ATOM 0 HB3 HIS A 398 4.010 17.949 -9.692 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.618 16.495 -10.683 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.634 16.420 -11.816 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.774 14.950 -12.700 1.00 0.00 H new ATOM 625 N PRO A 399 4.478 17.816 -6.888 1.00 0.00 N ATOM 626 CA PRO A 399 4.996 18.621 -5.790 1.00 0.00 C ATOM 627 C PRO A 399 4.466 20.049 -5.857 1.00 0.00 C ATOM 628 O PRO A 399 5.030 20.904 -6.552 1.00 0.00 O ATOM 629 CB PRO A 399 6.531 18.576 -5.970 1.00 0.00 C ATOM 630 CG PRO A 399 6.724 18.134 -7.376 1.00 0.00 C ATOM 631 CD PRO A 399 5.583 17.193 -7.661 1.00 0.00 C ATOM 0 HA PRO A 399 4.687 18.243 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.981 19.553 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.994 17.882 -5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.713 18.983 -8.060 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.685 17.636 -7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.356 17.136 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.796 16.178 -7.325 1.00 0.00 H new ATOM 639 N GLY A 400 3.367 20.280 -5.157 1.00 0.00 N ATOM 640 CA GLY A 400 2.706 21.571 -5.171 1.00 0.00 C ATOM 641 C GLY A 400 1.212 21.443 -5.382 1.00 0.00 C ATOM 642 O GLY A 400 0.536 22.422 -5.721 1.00 0.00 O ATOM 0 H GLY A 400 2.912 19.582 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.896 22.085 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.132 22.188 -5.962 1.00 0.00 H new ATOM 646 N ASP A 401 0.694 20.218 -5.203 1.00 0.00 N ATOM 647 CA ASP A 401 -0.733 19.957 -5.298 1.00 0.00 C ATOM 648 C ASP A 401 -1.243 19.370 -3.997 1.00 0.00 C ATOM 649 O ASP A 401 -0.499 18.665 -3.294 1.00 0.00 O ATOM 650 CB ASP A 401 -1.018 19.011 -6.458 1.00 0.00 C ATOM 651 CG ASP A 401 -2.507 18.853 -6.731 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.137 17.956 -6.126 1.00 0.00 O ATOM 653 OD2 ASP A 401 -3.061 19.631 -7.542 1.00 0.00 O ATOM 0 H ASP A 401 1.255 19.393 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.253 20.897 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.525 19.384 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.587 18.034 -6.240 1.00 0.00 H new ATOM 658 N SER A 402 -2.497 19.648 -3.667 1.00 0.00 N ATOM 659 CA SER A 402 -3.083 19.240 -2.387 1.00 0.00 C ATOM 660 C SER A 402 -3.128 17.712 -2.262 1.00 0.00 C ATOM 661 O SER A 402 -2.967 17.168 -1.163 1.00 0.00 O ATOM 662 CB SER A 402 -4.487 19.836 -2.247 1.00 0.00 C ATOM 663 OG SER A 402 -5.075 19.527 -0.992 1.00 0.00 O ATOM 0 H SER A 402 -3.138 20.160 -4.273 1.00 0.00 H new ATOM 0 HA SER A 402 -2.454 19.618 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 402 -4.435 20.918 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 402 -5.123 19.458 -3.048 1.00 0.00 H new ATOM 0 HG SER A 402 -5.968 19.926 -0.942 1.00 0.00 H new ATOM 669 N ASP A 403 -3.317 17.034 -3.383 1.00 0.00 N ATOM 670 CA ASP A 403 -3.484 15.570 -3.401 1.00 0.00 C ATOM 671 C ASP A 403 -2.142 14.861 -3.567 1.00 0.00 C ATOM 672 O ASP A 403 -2.083 13.652 -3.781 1.00 0.00 O ATOM 673 CB ASP A 403 -4.450 15.144 -4.512 1.00 0.00 C ATOM 674 CG ASP A 403 -5.883 15.612 -4.260 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.123 16.836 -4.213 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.779 14.746 -4.109 1.00 0.00 O ATOM 0 H ASP A 403 -3.360 17.469 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.907 15.276 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.103 15.547 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.437 14.058 -4.602 1.00 0.00 H new ATOM 681 N TYR A 404 -1.063 15.640 -3.462 1.00 0.00 N ATOM 682 CA TYR A 404 0.280 15.080 -3.502 1.00 0.00 C ATOM 683 C TYR A 404 0.740 14.768 -2.081 1.00 0.00 C ATOM 684 O TYR A 404 0.666 15.620 -1.202 1.00 0.00 O ATOM 685 CB TYR A 404 1.245 16.075 -4.144 1.00 0.00 C ATOM 686 CG TYR A 404 2.602 15.496 -4.447 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.798 14.708 -5.567 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.702 15.755 -3.631 1.00 0.00 C ATOM 689 CE1 TYR A 404 4.035 14.187 -5.876 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.932 15.238 -3.927 1.00 0.00 C ATOM 691 CZ TYR A 404 5.099 14.448 -5.048 1.00 0.00 C ATOM 692 OH TYR A 404 6.335 13.944 -5.336 1.00 0.00 O ATOM 0 H TYR A 404 -1.097 16.653 -3.350 1.00 0.00 H new ATOM 0 HA TYR A 404 0.268 14.165 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.805 16.449 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.365 16.931 -3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.960 14.496 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.581 16.372 -2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 404 4.167 13.580 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.774 15.447 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 404 6.972 14.226 -4.647 1.00 0.00 H new ATOM 849 N ASP A 416 15.193 3.740 -0.994 1.00 0.00 N ATOM 850 CA ASP A 416 14.907 2.957 0.205 1.00 0.00 C ATOM 851 C ASP A 416 15.370 3.733 1.433 1.00 0.00 C ATOM 852 O ASP A 416 14.566 4.160 2.270 1.00 0.00 O ATOM 853 CB ASP A 416 15.620 1.591 0.134 1.00 0.00 C ATOM 854 CG ASP A 416 15.500 0.775 1.416 1.00 0.00 C ATOM 855 OD1 ASP A 416 14.437 0.186 1.646 1.00 0.00 O ATOM 856 OD2 ASP A 416 16.492 0.741 2.186 1.00 0.00 O ATOM 0 HA ASP A 416 13.834 2.779 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 416 15.205 1.016 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 416 16.675 1.752 -0.087 1.00 0.00 H new ATOM 861 N ASP A 417 16.698 3.939 1.520 1.00 0.00 N ATOM 862 CA ASP A 417 17.279 4.802 2.539 1.00 0.00 C ATOM 863 C ASP A 417 18.455 5.553 1.918 1.00 0.00 C ATOM 864 O ASP A 417 19.245 6.203 2.605 1.00 0.00 O ATOM 865 CB ASP A 417 17.722 3.973 3.746 1.00 0.00 C ATOM 866 CG ASP A 417 18.059 4.831 4.951 1.00 0.00 C ATOM 867 OD1 ASP A 417 17.113 5.348 5.599 1.00 0.00 O ATOM 868 OD2 ASP A 417 19.251 4.972 5.277 1.00 0.00 O ATOM 0 H ASP A 417 17.380 3.515 0.892 1.00 0.00 H new ATOM 0 HA ASP A 417 16.540 5.521 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 417 16.929 3.274 4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 417 18.593 3.378 3.473 1.00 0.00 H new ATOM 873 N ARG A 418 18.559 5.449 0.594 1.00 0.00 N ATOM 874 CA ARG A 418 19.654 6.040 -0.188 1.00 0.00 C ATOM 875 C ARG A 418 19.366 5.870 -1.687 1.00 0.00 C ATOM 876 O ARG A 418 18.562 5.003 -2.067 1.00 0.00 O ATOM 877 CB ARG A 418 20.983 5.367 0.166 1.00 0.00 C ATOM 878 CG ARG A 418 20.958 3.844 0.065 1.00 0.00 C ATOM 879 CD ARG A 418 22.315 3.215 0.417 1.00 0.00 C ATOM 880 NE ARG A 418 22.232 1.759 0.511 1.00 0.00 N ATOM 881 CZ ARG A 418 23.295 0.955 0.493 1.00 0.00 C ATOM 882 NH1 ARG A 418 24.508 1.454 0.393 1.00 0.00 N ATOM 883 NH2 ARG A 418 23.132 -0.367 0.603 1.00 0.00 N ATOM 0 H ARG A 418 17.879 4.947 0.023 1.00 0.00 H new ATOM 0 HA ARG A 418 19.726 7.101 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 418 21.760 5.751 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 418 21.261 5.648 1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 418 20.193 3.450 0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 418 20.677 3.554 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 418 23.050 3.489 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 418 22.668 3.621 1.365 1.00 0.00 H new ATOM 0 HE ARG A 418 21.309 1.334 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 418 24.641 2.463 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 418 25.316 0.832 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 418 22.195 -0.759 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 418 23.944 -0.984 0.589 1.00 0.00 H new ATOM 897 N PRO A 419 19.988 6.678 -2.567 1.00 0.00 N ATOM 898 CA PRO A 419 19.814 6.563 -4.021 1.00 0.00 C ATOM 899 C PRO A 419 20.433 5.282 -4.582 1.00 0.00 C ATOM 900 O PRO A 419 21.330 4.699 -3.982 1.00 0.00 O ATOM 901 CB PRO A 419 20.529 7.817 -4.570 1.00 0.00 C ATOM 902 CG PRO A 419 21.534 8.151 -3.525 1.00 0.00 C ATOM 903 CD PRO A 419 20.892 7.797 -2.217 1.00 0.00 C ATOM 0 HA PRO A 419 18.763 6.507 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 419 21.004 7.616 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 419 19.829 8.638 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 419 22.456 7.588 -3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 419 21.797 9.208 -3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 419 21.632 7.498 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 419 20.343 8.640 -1.798 1.00 0.00 H new ATOM 911 N GLU A 420 19.898 4.843 -5.720 1.00 0.00 N ATOM 912 CA GLU A 420 20.423 3.680 -6.427 1.00 0.00 C ATOM 913 C GLU A 420 21.733 4.019 -7.136 1.00 0.00 C ATOM 914 O GLU A 420 21.879 5.124 -7.658 1.00 0.00 O ATOM 915 CB GLU A 420 19.409 3.137 -7.445 1.00 0.00 C ATOM 916 CG GLU A 420 18.202 2.459 -6.821 1.00 0.00 C ATOM 917 CD GLU A 420 17.178 2.008 -7.854 1.00 0.00 C ATOM 918 OE1 GLU A 420 17.435 0.997 -8.549 1.00 0.00 O ATOM 919 OE2 GLU A 420 16.114 2.656 -7.997 1.00 0.00 O ATOM 0 H GLU A 420 19.096 5.280 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 420 20.612 2.907 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 420 19.066 3.959 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 420 19.913 2.426 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 420 18.534 1.596 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 420 17.727 3.146 -6.121 1.00 0.00 H new ATOM 926 N CYS A 421 22.649 3.073 -7.155 1.00 0.00 N ATOM 927 CA CYS A 421 23.938 3.253 -7.818 1.00 0.00 C ATOM 928 C CYS A 421 23.712 3.591 -9.299 1.00 0.00 C ATOM 929 O CYS A 421 22.902 2.939 -9.963 1.00 0.00 O ATOM 930 CB CYS A 421 24.779 1.970 -7.671 1.00 0.00 C ATOM 931 SG CYS A 421 26.544 2.173 -8.059 1.00 0.00 S ATOM 0 H CYS A 421 22.529 2.160 -6.716 1.00 0.00 H new ATOM 0 HA CYS A 421 24.480 4.077 -7.353 1.00 0.00 H new ATOM 0 HB2 CYS A 421 24.685 1.605 -6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 421 24.363 1.202 -8.323 1.00 0.00 H new ATOM 0 HG CYS A 421 27.192 1.102 -7.707 1.00 0.00 H new ATOM 936 N PRO A 422 24.423 4.618 -9.820 1.00 0.00 N ATOM 937 CA PRO A 422 24.226 5.074 -11.210 1.00 0.00 C ATOM 938 C PRO A 422 24.546 3.998 -12.244 1.00 0.00 C ATOM 939 O PRO A 422 24.174 4.116 -13.418 1.00 0.00 O ATOM 940 CB PRO A 422 25.208 6.280 -11.340 1.00 0.00 C ATOM 941 CG PRO A 422 26.192 6.057 -10.244 1.00 0.00 C ATOM 942 CD PRO A 422 25.462 5.405 -9.128 1.00 0.00 C ATOM 0 HA PRO A 422 23.185 5.332 -11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 422 25.693 6.297 -12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 422 24.690 7.232 -11.225 1.00 0.00 H new ATOM 0 HG2 PRO A 422 27.014 5.428 -10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 422 26.628 7.002 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 422 26.119 4.770 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 422 25.027 6.138 -8.449 1.00 0.00 H new ATOM 950 N TYR A 423 25.245 2.960 -11.830 1.00 0.00 N ATOM 951 CA TYR A 423 25.606 1.845 -12.711 1.00 0.00 C ATOM 952 C TYR A 423 24.881 0.576 -12.272 1.00 0.00 C ATOM 953 O TYR A 423 25.217 -0.536 -12.720 1.00 0.00 O ATOM 954 CB TYR A 423 27.118 1.615 -12.704 1.00 0.00 C ATOM 955 CG TYR A 423 27.947 2.873 -12.870 1.00 0.00 C ATOM 956 CD1 TYR A 423 28.113 3.456 -14.118 1.00 0.00 C ATOM 957 CD2 TYR A 423 28.558 3.482 -11.783 1.00 0.00 C ATOM 958 CE1 TYR A 423 28.862 4.603 -14.267 1.00 0.00 C ATOM 959 CE2 TYR A 423 29.306 4.629 -11.932 1.00 0.00 C ATOM 960 CZ TYR A 423 29.457 5.179 -13.166 1.00 0.00 C ATOM 961 OH TYR A 423 30.212 6.324 -13.332 1.00 0.00 O ATOM 0 H TYR A 423 25.584 2.857 -10.873 1.00 0.00 H new ATOM 0 HA TYR A 423 25.302 2.097 -13.727 1.00 0.00 H new ATOM 0 HB2 TYR A 423 27.395 1.134 -11.766 1.00 0.00 H new ATOM 0 HB3 TYR A 423 27.371 0.920 -13.505 1.00 0.00 H new ATOM 0 HD1 TYR A 423 27.650 3.005 -14.983 1.00 0.00 H new ATOM 0 HD2 TYR A 423 28.445 3.048 -10.801 1.00 0.00 H new ATOM 0 HE1 TYR A 423 28.982 5.049 -15.243 1.00 0.00 H new ATOM 0 HE2 TYR A 423 29.770 5.089 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 423 30.565 6.611 -12.464 1.00 0.00 H new ATOM 971 N GLY A 424 23.889 0.725 -11.388 1.00 0.00 N ATOM 972 CA GLY A 424 23.158 -0.421 -10.872 1.00 0.00 C ATOM 973 C GLY A 424 24.054 -1.454 -10.216 1.00 0.00 C ATOM 974 O GLY A 424 25.103 -1.098 -9.641 1.00 0.00 O ATOM 0 H GLY A 424 23.580 1.625 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 424 22.420 -0.077 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 424 22.609 -0.891 -11.688 1.00 0.00 H new ATOM 978 N PRO A 425 23.701 -2.759 -10.267 1.00 0.00 N ATOM 979 CA PRO A 425 24.537 -3.834 -9.714 1.00 0.00 C ATOM 980 C PRO A 425 25.776 -4.082 -10.555 1.00 0.00 C ATOM 981 O PRO A 425 26.737 -4.736 -10.113 1.00 0.00 O ATOM 982 CB PRO A 425 23.612 -5.047 -9.739 1.00 0.00 C ATOM 983 CG PRO A 425 22.633 -4.759 -10.825 1.00 0.00 C ATOM 984 CD PRO A 425 22.434 -3.273 -10.829 1.00 0.00 C ATOM 0 HA PRO A 425 24.914 -3.595 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 425 24.167 -5.963 -9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 425 23.111 -5.182 -8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 425 23.009 -5.104 -11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 425 21.691 -5.277 -10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 425 22.257 -2.894 -11.835 1.00 0.00 H new ATOM 0 HD3 PRO A 425 21.577 -2.980 -10.223 1.00 0.00 H new ATOM 992 N SER A 426 25.766 -3.531 -11.770 1.00 0.00 N ATOM 993 CA SER A 426 26.897 -3.632 -12.684 1.00 0.00 C ATOM 994 C SER A 426 28.004 -2.674 -12.239 1.00 0.00 C ATOM 995 O SER A 426 29.123 -2.719 -12.743 1.00 0.00 O ATOM 996 CB SER A 426 26.442 -3.322 -14.128 1.00 0.00 C ATOM 997 OG SER A 426 27.504 -3.484 -15.058 1.00 0.00 O ATOM 0 H SER A 426 24.976 -3.005 -12.144 1.00 0.00 H new ATOM 0 HA SER A 426 27.290 -4.648 -12.665 1.00 0.00 H new ATOM 0 HB2 SER A 426 25.617 -3.980 -14.399 1.00 0.00 H new ATOM 0 HB3 SER A 426 26.065 -2.301 -14.180 1.00 0.00 H new ATOM 0 HG SER A 426 28.362 -3.416 -14.590 1.00 0.00 H new ATOM 1003 N CYS A 427 27.652 -1.811 -11.287 1.00 0.00 N ATOM 1004 CA CYS A 427 28.600 -0.859 -10.720 1.00 0.00 C ATOM 1005 C CYS A 427 29.800 -1.599 -10.108 1.00 0.00 C ATOM 1006 O CYS A 427 29.642 -2.373 -9.162 1.00 0.00 O ATOM 1007 CB CYS A 427 27.886 -0.025 -9.657 1.00 0.00 C ATOM 1008 SG CYS A 427 28.901 1.252 -8.877 1.00 0.00 S ATOM 0 H CYS A 427 26.713 -1.753 -10.892 1.00 0.00 H new ATOM 0 HA CYS A 427 28.975 -0.203 -11.506 1.00 0.00 H new ATOM 0 HB2 CYS A 427 27.018 0.451 -10.113 1.00 0.00 H new ATOM 0 HB3 CYS A 427 27.513 -0.694 -8.882 1.00 0.00 H new ATOM 0 HG CYS A 427 28.154 2.268 -8.563 1.00 0.00 H new ATOM 1013 N TYR A 428 30.973 -1.323 -10.652 1.00 0.00 N ATOM 1014 CA TYR A 428 32.209 -1.951 -10.175 1.00 0.00 C ATOM 1015 C TYR A 428 33.171 -0.881 -9.675 1.00 0.00 C ATOM 1016 O TYR A 428 34.383 -1.092 -9.620 1.00 0.00 O ATOM 1017 CB TYR A 428 32.842 -2.780 -11.315 1.00 0.00 C ATOM 1018 CG TYR A 428 33.065 -1.981 -12.592 1.00 0.00 C ATOM 1019 CD1 TYR A 428 32.046 -1.875 -13.554 1.00 0.00 C ATOM 1020 CD2 TYR A 428 34.265 -1.346 -12.850 1.00 0.00 C ATOM 1021 CE1 TYR A 428 32.240 -1.163 -14.715 1.00 0.00 C ATOM 1022 CE2 TYR A 428 34.465 -0.629 -14.008 1.00 0.00 C ATOM 1023 CZ TYR A 428 33.457 -0.543 -14.939 1.00 0.00 C ATOM 1024 OH TYR A 428 33.662 0.168 -16.090 1.00 0.00 O ATOM 0 H TYR A 428 31.103 -0.670 -11.424 1.00 0.00 H new ATOM 0 HA TYR A 428 31.985 -2.622 -9.345 1.00 0.00 H new ATOM 0 HB2 TYR A 428 33.797 -3.182 -10.975 1.00 0.00 H new ATOM 0 HB3 TYR A 428 32.198 -3.631 -11.536 1.00 0.00 H new ATOM 0 HD1 TYR A 428 31.097 -2.360 -13.379 1.00 0.00 H new ATOM 0 HD2 TYR A 428 35.064 -1.414 -12.127 1.00 0.00 H new ATOM 0 HE1 TYR A 428 31.449 -1.088 -15.446 1.00 0.00 H new ATOM 0 HE2 TYR A 428 35.410 -0.136 -14.184 1.00 0.00 H new ATOM 0 HH TYR A 428 34.569 0.539 -16.088 1.00 0.00 H new ATOM 1034 N ARG A 429 32.634 0.274 -9.313 1.00 0.00 N ATOM 1035 CA ARG A 429 33.438 1.381 -8.818 1.00 0.00 C ATOM 1036 C ARG A 429 34.123 0.989 -7.498 1.00 0.00 C ATOM 1037 O ARG A 429 33.456 0.819 -6.478 1.00 0.00 O ATOM 1038 CB ARG A 429 32.603 2.649 -8.629 1.00 0.00 C ATOM 1039 CG ARG A 429 31.962 3.161 -9.914 1.00 0.00 C ATOM 1040 CD ARG A 429 32.976 3.854 -10.835 1.00 0.00 C ATOM 1041 NE ARG A 429 34.051 2.976 -11.283 1.00 0.00 N ATOM 1042 CZ ARG A 429 34.471 2.867 -12.535 1.00 0.00 C ATOM 1043 NH1 ARG A 429 33.932 3.626 -13.482 1.00 0.00 N ATOM 1044 NH2 ARG A 429 35.448 2.029 -12.835 1.00 0.00 N ATOM 0 H ARG A 429 31.634 0.470 -9.354 1.00 0.00 H new ATOM 0 HA ARG A 429 34.200 1.599 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 429 31.820 2.451 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 429 33.237 3.432 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 429 31.502 2.328 -10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 429 31.163 3.860 -9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 429 32.453 4.248 -11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 429 33.408 4.706 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 429 34.515 2.402 -10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 429 33.196 4.291 -13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 429 34.254 3.544 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 429 35.879 1.465 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 429 35.771 1.946 -13.799 1.00 0.00 H new ATOM 1058 N LYS A 430 35.441 0.812 -7.556 1.00 0.00 N ATOM 1059 CA LYS A 430 36.202 0.380 -6.401 1.00 0.00 C ATOM 1060 C LYS A 430 36.301 1.492 -5.359 1.00 0.00 C ATOM 1061 O LYS A 430 37.164 2.356 -5.450 1.00 0.00 O ATOM 1062 CB LYS A 430 37.612 -0.066 -6.841 1.00 0.00 C ATOM 1063 CG LYS A 430 38.486 -0.605 -5.704 1.00 0.00 C ATOM 1064 CD LYS A 430 39.871 -1.016 -6.209 1.00 0.00 C ATOM 1065 CE LYS A 430 40.619 0.151 -6.840 1.00 0.00 C ATOM 1066 NZ LYS A 430 41.969 -0.255 -7.327 1.00 0.00 N ATOM 0 H LYS A 430 35.999 0.963 -8.396 1.00 0.00 H new ATOM 0 HA LYS A 430 35.684 -0.463 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 430 37.514 -0.837 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 430 38.120 0.780 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 430 38.590 0.157 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 430 37.996 -1.462 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 430 40.455 -1.415 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 430 39.767 -1.818 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 430 40.037 0.549 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 430 40.722 0.954 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 42.447 0.566 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 42.533 -0.611 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 41.869 -1.004 -8.042 1.00 0.00 H new ATOM 1080 N ASN A 431 35.377 1.448 -4.400 1.00 0.00 N ATOM 1081 CA ASN A 431 35.380 2.405 -3.286 1.00 0.00 C ATOM 1082 C ASN A 431 34.371 1.937 -2.228 1.00 0.00 C ATOM 1083 O ASN A 431 33.199 1.732 -2.531 1.00 0.00 O ATOM 1084 CB ASN A 431 34.991 3.810 -3.761 1.00 0.00 C ATOM 1085 CG ASN A 431 35.166 4.865 -2.655 1.00 0.00 C ATOM 1086 OD1 ASN A 431 36.102 4.799 -1.854 1.00 0.00 O ATOM 1087 ND2 ASN A 431 34.235 5.796 -2.571 1.00 0.00 N ATOM 0 H ASN A 431 34.620 0.766 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 431 36.386 2.449 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 431 35.602 4.083 -4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 431 33.954 3.805 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 431 34.275 6.492 -1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 431 33.475 5.820 -3.251 1.00 0.00 H new ATOM 1094 N PRO A 432 34.810 1.771 -0.982 1.00 0.00 N ATOM 1095 CA PRO A 432 33.933 1.314 0.109 1.00 0.00 C ATOM 1096 C PRO A 432 32.838 2.342 0.419 1.00 0.00 C ATOM 1097 O PRO A 432 31.718 1.988 0.755 1.00 0.00 O ATOM 1098 CB PRO A 432 34.874 1.138 1.300 1.00 0.00 C ATOM 1099 CG PRO A 432 36.062 1.997 1.000 1.00 0.00 C ATOM 1100 CD PRO A 432 36.182 2.034 -0.511 1.00 0.00 C ATOM 0 HA PRO A 432 33.405 0.395 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 432 34.393 1.444 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 432 35.164 0.094 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 432 35.930 3.000 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 432 36.964 1.586 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 432 36.546 3.001 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 432 36.881 1.281 -0.875 1.00 0.00 H new ATOM 1108 N GLN A 433 33.198 3.629 0.257 1.00 0.00 N ATOM 1109 CA GLN A 433 32.272 4.721 0.564 1.00 0.00 C ATOM 1110 C GLN A 433 31.133 4.732 -0.433 1.00 0.00 C ATOM 1111 O GLN A 433 30.005 5.078 -0.090 1.00 0.00 O ATOM 1112 CB GLN A 433 33.021 6.053 0.548 1.00 0.00 C ATOM 1113 CG GLN A 433 32.151 7.290 0.835 1.00 0.00 C ATOM 1114 CD GLN A 433 31.528 7.270 2.222 1.00 0.00 C ATOM 1115 OE1 GLN A 433 32.099 7.755 3.184 1.00 0.00 O ATOM 1116 NE2 GLN A 433 30.340 6.708 2.323 1.00 0.00 N ATOM 0 H GLN A 433 34.112 3.930 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 433 31.853 4.570 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 433 33.822 6.011 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 433 33.492 6.177 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 433 32.760 8.188 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 433 31.359 7.352 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 433 29.891 6.312 1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 433 29.869 6.669 3.227 1.00 0.00 H new ATOM 1125 N HIS A 434 31.438 4.326 -1.663 1.00 0.00 N ATOM 1126 CA HIS A 434 30.452 4.308 -2.737 1.00 0.00 C ATOM 1127 C HIS A 434 29.335 3.342 -2.383 1.00 0.00 C ATOM 1128 O HIS A 434 28.166 3.719 -2.304 1.00 0.00 O ATOM 1129 CB HIS A 434 31.118 3.902 -4.059 1.00 0.00 C ATOM 1130 CG HIS A 434 30.118 3.572 -5.127 1.00 0.00 C ATOM 1131 ND1 HIS A 434 29.197 4.461 -5.606 1.00 0.00 N ATOM 1132 CD2 HIS A 434 29.884 2.388 -5.736 1.00 0.00 C ATOM 1133 CE1 HIS A 434 28.417 3.812 -6.475 1.00 0.00 C ATOM 1134 NE2 HIS A 434 28.783 2.543 -6.598 1.00 0.00 N ATOM 0 H HIS A 434 32.365 4.004 -1.940 1.00 0.00 H new ATOM 0 HA HIS A 434 30.031 5.306 -2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 434 31.759 4.714 -4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 434 31.761 3.039 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 434 30.446 1.478 -5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 434 27.594 4.263 -7.009 1.00 0.00 H new ATOM 0 HE2 HIS A 434 28.357 1.831 -7.191 1.00 0.00 H new ATOM 1142 N LYS A 435 29.724 2.102 -2.164 1.00 0.00 N ATOM 1143 CA LYS A 435 28.781 1.059 -1.755 1.00 0.00 C ATOM 1144 C LYS A 435 28.004 1.435 -0.496 1.00 0.00 C ATOM 1145 O LYS A 435 26.956 0.870 -0.227 1.00 0.00 O ATOM 1146 CB LYS A 435 29.548 -0.255 -1.543 1.00 0.00 C ATOM 1147 CG LYS A 435 30.177 -0.792 -2.823 1.00 0.00 C ATOM 1148 CD LYS A 435 31.283 -1.810 -2.538 1.00 0.00 C ATOM 1149 CE LYS A 435 30.802 -2.990 -1.705 1.00 0.00 C ATOM 1150 NZ LYS A 435 29.738 -3.767 -2.396 1.00 0.00 N ATOM 0 H LYS A 435 30.688 1.783 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 435 28.044 0.939 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 435 30.329 -0.097 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 435 28.868 -1.004 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 435 29.406 -1.257 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 435 30.588 0.037 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 435 31.683 -2.178 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 435 32.101 -1.313 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 435 31.645 -3.646 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 435 30.423 -2.628 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 29.476 -4.589 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 28.903 -3.163 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 30.090 -4.093 -3.319 1.00 0.00 H new ATOM 1164 N ILE A 436 28.543 2.393 0.258 1.00 0.00 N ATOM 1165 CA ILE A 436 27.888 2.878 1.460 1.00 0.00 C ATOM 1166 C ILE A 436 26.798 3.888 1.086 1.00 0.00 C ATOM 1167 O ILE A 436 25.685 3.829 1.634 1.00 0.00 O ATOM 1168 CB ILE A 436 28.917 3.533 2.427 1.00 0.00 C ATOM 1169 CG1 ILE A 436 29.830 2.453 3.031 1.00 0.00 C ATOM 1170 CG2 ILE A 436 28.223 4.339 3.524 1.00 0.00 C ATOM 1171 CD1 ILE A 436 30.925 3.015 3.939 1.00 0.00 C ATOM 0 H ILE A 436 29.434 2.846 0.052 1.00 0.00 H new ATOM 0 HA ILE A 436 27.433 2.030 1.972 1.00 0.00 H new ATOM 0 HB ILE A 436 29.528 4.230 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 436 29.221 1.752 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 436 30.294 1.888 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 436 28.973 4.782 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 436 27.625 5.130 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 436 27.576 3.681 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 436 31.530 2.196 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 436 31.558 3.694 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 436 30.468 3.556 4.768 1.00 0.00 H new ATOM 1183 N GLU A 437 27.087 4.779 0.152 1.00 0.00 N ATOM 1184 CA GLU A 437 26.162 5.869 -0.204 1.00 0.00 C ATOM 1185 C GLU A 437 25.046 5.380 -1.105 1.00 0.00 C ATOM 1186 O GLU A 437 23.883 5.713 -0.882 1.00 0.00 O ATOM 1187 CB GLU A 437 26.905 7.006 -0.923 1.00 0.00 C ATOM 1188 CG GLU A 437 28.158 7.471 -0.221 1.00 0.00 C ATOM 1189 CD GLU A 437 28.687 8.790 -0.769 1.00 0.00 C ATOM 1190 OE1 GLU A 437 29.461 8.767 -1.750 1.00 0.00 O ATOM 1191 OE2 GLU A 437 28.306 9.853 -0.242 1.00 0.00 O ATOM 0 H GLU A 437 27.956 4.778 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 437 25.736 6.236 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 437 27.167 6.675 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 437 26.229 7.854 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 437 27.953 7.582 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 437 28.929 6.707 -0.319 1.00 0.00 H new ATOM 1198 N TYR A 438 25.392 4.626 -2.133 1.00 0.00 N ATOM 1199 CA TYR A 438 24.436 4.189 -3.151 1.00 0.00 C ATOM 1200 C TYR A 438 24.112 2.709 -2.985 1.00 0.00 C ATOM 1201 O TYR A 438 24.992 1.881 -2.789 1.00 0.00 O ATOM 1202 CB TYR A 438 25.008 4.467 -4.544 1.00 0.00 C ATOM 1203 CG TYR A 438 24.931 5.936 -4.945 1.00 0.00 C ATOM 1204 CD1 TYR A 438 25.789 6.871 -4.383 1.00 0.00 C ATOM 1205 CD2 TYR A 438 23.994 6.378 -5.878 1.00 0.00 C ATOM 1206 CE1 TYR A 438 25.722 8.198 -4.735 1.00 0.00 C ATOM 1207 CE2 TYR A 438 23.924 7.697 -6.236 1.00 0.00 C ATOM 1208 CZ TYR A 438 24.791 8.613 -5.658 1.00 0.00 C ATOM 1209 OH TYR A 438 24.709 9.934 -6.006 1.00 0.00 O ATOM 0 H TYR A 438 26.344 4.296 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 438 23.508 4.748 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 438 26.049 4.144 -4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 438 24.467 3.868 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 438 26.522 6.551 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 438 23.313 5.669 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 438 26.398 8.912 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 438 23.197 8.023 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 438 23.999 10.054 -6.671 1.00 0.00 H new ATOM 1219 N ARG A 439 22.814 2.397 -3.080 1.00 0.00 N ATOM 1220 CA ARG A 439 22.342 1.023 -2.974 1.00 0.00 C ATOM 1221 C ARG A 439 22.431 0.324 -4.318 1.00 0.00 C ATOM 1222 O ARG A 439 22.033 0.877 -5.353 1.00 0.00 O ATOM 1223 CB ARG A 439 20.886 1.016 -2.483 1.00 0.00 C ATOM 1224 CG ARG A 439 19.942 1.850 -3.357 1.00 0.00 C ATOM 1225 CD ARG A 439 18.557 2.002 -2.741 1.00 0.00 C ATOM 1226 NE ARG A 439 17.658 2.754 -3.611 1.00 0.00 N ATOM 1227 CZ ARG A 439 16.386 2.441 -3.825 1.00 0.00 C ATOM 1228 NH1 ARG A 439 15.828 1.420 -3.199 1.00 0.00 N ATOM 1229 NH2 ARG A 439 15.669 3.174 -4.655 1.00 0.00 N ATOM 0 H ARG A 439 22.075 3.084 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 439 22.972 0.490 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 439 20.526 -0.012 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 439 20.853 1.396 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 439 20.376 2.837 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 439 19.851 1.381 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 439 18.135 1.016 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 439 18.640 2.508 -1.779 1.00 0.00 H new ATOM 0 HE ARG A 439 18.032 3.575 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 439 16.376 0.863 -2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 439 14.850 1.189 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 439 16.093 3.973 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 439 14.691 2.941 -4.826 1.00 0.00 H new ATOM 1243 N HIS A 440 22.959 -0.894 -4.310 1.00 0.00 N ATOM 1244 CA HIS A 440 23.109 -1.687 -5.507 1.00 0.00 C ATOM 1245 C HIS A 440 22.087 -2.824 -5.508 1.00 0.00 C ATOM 1246 O HIS A 440 22.369 -3.937 -5.062 1.00 0.00 O ATOM 1247 CB HIS A 440 24.533 -2.233 -5.607 1.00 0.00 C ATOM 1248 CG HIS A 440 25.563 -1.136 -5.617 1.00 0.00 C ATOM 1249 ND1 HIS A 440 25.967 -0.455 -4.486 1.00 0.00 N ATOM 1250 CD2 HIS A 440 26.284 -0.618 -6.640 1.00 0.00 C ATOM 1251 CE1 HIS A 440 26.861 0.457 -4.860 1.00 0.00 C ATOM 1252 NE2 HIS A 440 27.105 0.407 -6.143 1.00 0.00 N ATOM 0 H HIS A 440 23.295 -1.355 -3.464 1.00 0.00 H new ATOM 0 HA HIS A 440 22.927 -1.057 -6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 440 24.724 -2.901 -4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 440 24.629 -2.828 -6.515 1.00 0.00 H new ATOM 0 HD1 HIS A 440 25.639 -0.621 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 440 26.235 -0.941 -7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 440 27.330 1.156 -4.183 1.00 0.00 H new ATOM 1260 N ASN A 441 20.905 -2.495 -5.995 1.00 0.00 N ATOM 1261 CA ASN A 441 19.773 -3.414 -6.023 1.00 0.00 C ATOM 1262 C ASN A 441 20.026 -4.509 -7.054 1.00 0.00 C ATOM 1263 O ASN A 441 20.176 -4.221 -8.245 1.00 0.00 O ATOM 1264 CB ASN A 441 18.481 -2.656 -6.339 1.00 0.00 C ATOM 1265 CG ASN A 441 18.092 -1.672 -5.249 1.00 0.00 C ATOM 1266 OD1 ASN A 441 18.355 -1.866 -4.058 1.00 0.00 O ATOM 1267 ND2 ASN A 441 17.450 -0.581 -5.641 1.00 0.00 N ATOM 0 H ASN A 441 20.698 -1.576 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 441 19.661 -3.877 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 441 18.601 -2.119 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 441 17.671 -3.372 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 441 17.164 0.117 -4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 441 17.242 -0.439 -6.629 1.00 0.00 H new ATOM 1274 N THR A 442 20.096 -5.750 -6.580 1.00 0.00 N ATOM 1275 CA THR A 442 20.408 -6.874 -7.433 1.00 0.00 C ATOM 1276 C THR A 442 19.383 -7.996 -7.235 1.00 0.00 C ATOM 1277 O THR A 442 18.772 -8.106 -6.154 1.00 0.00 O ATOM 1278 CB THR A 442 21.822 -7.443 -7.113 1.00 0.00 C ATOM 1279 OG1 THR A 442 22.715 -6.366 -6.791 1.00 0.00 O ATOM 1280 CG2 THR A 442 22.382 -8.231 -8.278 1.00 0.00 C ATOM 0 H THR A 442 19.938 -5.995 -5.602 1.00 0.00 H new ATOM 0 HA THR A 442 20.382 -6.518 -8.463 1.00 0.00 H new ATOM 0 HB THR A 442 21.727 -8.117 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 442 23.603 -6.727 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 442 23.369 -8.612 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 442 21.719 -9.066 -8.505 1.00 0.00 H new ATOM 0 HG23 THR A 442 22.462 -7.583 -9.151 1.00 0.00 H new ATOM 1288 N LEU A 443 19.180 -8.806 -8.262 1.00 0.00 N ATOM 1289 CA LEU A 443 18.289 -9.960 -8.182 1.00 0.00 C ATOM 1290 C LEU A 443 19.129 -11.237 -8.125 1.00 0.00 C ATOM 1291 O LEU A 443 20.262 -11.269 -8.597 1.00 0.00 O ATOM 1292 CB LEU A 443 17.286 -9.962 -9.361 1.00 0.00 C ATOM 1293 CG LEU A 443 17.828 -9.580 -10.757 1.00 0.00 C ATOM 1294 CD1 LEU A 443 18.784 -10.631 -11.297 1.00 0.00 C ATOM 1295 CD2 LEU A 443 16.662 -9.358 -11.719 1.00 0.00 C ATOM 0 H LEU A 443 19.625 -8.686 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 443 17.692 -9.906 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 443 16.850 -10.958 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 443 16.476 -9.276 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 443 18.394 -8.654 -10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 443 19.143 -10.326 -12.280 1.00 0.00 H new ATOM 0 HD12 LEU A 443 19.630 -10.736 -10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 443 18.265 -11.586 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 443 17.048 -9.089 -12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 443 16.076 -10.273 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 443 16.030 -8.553 -11.345 1.00 0.00 H new ATOM 1307 N PRO A 444 18.572 -12.316 -7.546 1.00 0.00 N ATOM 1308 CA PRO A 444 19.329 -13.563 -7.295 1.00 0.00 C ATOM 1309 C PRO A 444 19.980 -14.139 -8.569 1.00 0.00 C ATOM 1310 O PRO A 444 21.112 -14.638 -8.497 1.00 0.00 O ATOM 1311 CB PRO A 444 18.261 -14.526 -6.723 1.00 0.00 C ATOM 1312 CG PRO A 444 16.962 -13.917 -7.044 1.00 0.00 C ATOM 1313 CD PRO A 444 17.180 -12.428 -7.059 1.00 0.00 C ATOM 0 HA PRO A 444 20.169 -13.398 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 444 18.349 -15.517 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 444 18.381 -14.648 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 444 16.598 -14.266 -8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 444 16.211 -14.192 -6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 444 16.476 -11.921 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 444 17.060 -11.990 -6.068 1.00 0.00 H new ATOM 1321 N VAL A 445 19.259 -14.074 -9.676 1.00 0.00 N ATOM 1322 CA VAL A 445 19.748 -14.532 -11.002 1.00 0.00 C ATOM 1323 C VAL A 445 20.352 -15.948 -10.917 1.00 0.00 C ATOM 1324 O VAL A 445 21.117 -16.354 -11.792 1.00 0.00 O ATOM 1325 CB VAL A 445 20.749 -13.520 -11.633 1.00 0.00 C ATOM 1326 CG1 VAL A 445 22.143 -13.623 -11.001 1.00 0.00 C ATOM 1327 CG2 VAL A 445 20.837 -13.677 -13.124 1.00 0.00 C ATOM 0 H VAL A 445 18.309 -13.702 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 445 18.885 -14.581 -11.666 1.00 0.00 H new ATOM 0 HB VAL A 445 20.356 -12.526 -11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 445 22.810 -12.900 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 445 22.075 -13.414 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 445 22.536 -14.629 -11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 445 21.546 -12.952 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 445 21.174 -14.685 -13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 445 19.855 -13.507 -13.566 1.00 0.00 H new ATOM 1337 N ARG A 446 19.974 -16.700 -9.902 1.00 0.00 N ATOM 1338 CA ARG A 446 20.529 -18.030 -9.685 1.00 0.00 C ATOM 1339 C ARG A 446 19.405 -18.991 -9.285 1.00 0.00 C ATOM 1340 O ARG A 446 18.408 -18.559 -8.684 1.00 0.00 O ATOM 1341 CB ARG A 446 21.621 -17.990 -8.613 1.00 0.00 C ATOM 1342 CG ARG A 446 22.315 -19.298 -8.344 1.00 0.00 C ATOM 1343 CD ARG A 446 23.031 -19.822 -9.592 1.00 0.00 C ATOM 1344 NE ARG A 446 23.612 -21.155 -9.385 1.00 0.00 N ATOM 1345 CZ ARG A 446 24.320 -21.805 -10.308 1.00 0.00 C ATOM 1346 NH1 ARG A 446 24.635 -21.234 -11.471 1.00 0.00 N ATOM 1347 NH2 ARG A 446 24.771 -23.029 -10.047 1.00 0.00 N ATOM 0 H ARG A 446 19.282 -16.415 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 446 20.985 -18.384 -10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 446 22.370 -17.256 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 446 21.179 -17.635 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 446 23.036 -19.169 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 446 21.586 -20.035 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 446 22.326 -19.861 -10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 446 23.820 -19.125 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 446 23.465 -21.609 -8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 446 24.333 -20.280 -11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 446 25.178 -21.751 -12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 446 24.574 -23.464 -9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 446 25.314 -23.533 -10.748 1.00 0.00 H new ATOM 1361 N ASN A 447 19.556 -20.264 -9.638 1.00 0.00 N ATOM 1362 CA ASN A 447 18.572 -21.308 -9.363 1.00 0.00 C ATOM 1363 C ASN A 447 17.285 -21.058 -10.125 1.00 0.00 C ATOM 1364 O ASN A 447 16.223 -21.611 -9.787 1.00 0.00 O ATOM 1365 CB ASN A 447 18.294 -21.413 -7.853 1.00 0.00 C ATOM 1366 CG ASN A 447 19.492 -21.840 -7.038 1.00 0.00 C ATOM 1367 OD1 ASN A 447 20.173 -20.867 -6.456 1.00 0.00 O flip ATOM 1368 ND2 ASN A 447 19.782 -23.040 -6.923 1.00 0.00 N flip ATOM 0 H ASN A 447 20.380 -20.606 -10.132 1.00 0.00 H new ATOM 0 HA ASN A 447 18.988 -22.257 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 447 17.946 -20.446 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 447 17.485 -22.125 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 447 19.220 -23.748 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 447 20.583 -23.319 -6.356 1.00 0.00 H new ATOM 1375 N VAL A 448 17.365 -20.249 -11.190 1.00 0.00 N ATOM 1376 CA VAL A 448 16.182 -19.879 -11.982 1.00 0.00 C ATOM 1377 C VAL A 448 15.939 -20.897 -13.115 1.00 0.00 C ATOM 1378 O VAL A 448 16.826 -21.669 -13.471 1.00 0.00 O ATOM 1379 CB VAL A 448 16.368 -18.455 -12.581 1.00 0.00 C ATOM 1380 CG1 VAL A 448 16.639 -17.422 -11.489 1.00 0.00 C ATOM 1381 CG2 VAL A 448 17.466 -18.429 -13.649 1.00 0.00 C ATOM 0 H VAL A 448 18.237 -19.838 -11.524 1.00 0.00 H new ATOM 0 HA VAL A 448 15.314 -19.883 -11.323 1.00 0.00 H new ATOM 0 HB VAL A 448 15.431 -18.187 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 448 16.764 -16.438 -11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 448 15.799 -17.398 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 448 17.547 -17.692 -10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 448 17.566 -17.418 -14.043 1.00 0.00 H new ATOM 0 HG22 VAL A 448 18.412 -18.741 -13.206 1.00 0.00 H new ATOM 0 HG23 VAL A 448 17.202 -19.110 -14.458 1.00 0.00 H new