USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=23 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 115:sc= -14.1! USER MOD Set 1.2: A 427 CYS SG : rot 160:sc= -6.89! USER MOD Set 1.3: A 434 HIS : no HE2:sc= -7.21! C(o=-35!,f=-70!) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -6.69! C(o=-35!,f=-66!) USER MOD Set 2.1: A 394 GLN : amide:sc= -0.215 K(o=-3.9,f=-6.7) USER MOD Set 2.2: A 395 HIS : no HE2:sc= -3.66! C(o=-3.9!,f=-9.5!) USER MOD Set 3.1: A 379 CYS SG : rot 106:sc= -6.1! USER MOD Set 3.2: A 385 CYS SG : rot -128:sc= -9.02! USER MOD Set 3.3: A 392 HIS : no HD1:sc= -5.12! C(o=-28!,f=-69!) USER MOD Set 3.4: A 398 HIS : no HD1:sc= -8.24! C(o=-28!,f=-67!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 47:sc= 0.5 USER MOD Single : A 380 MET CE :methyl -160:sc= -0.248 (180deg=-0.982) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.721) USER MOD Single : A 389 ASN : amide:sc= -1.98 X(o=-2,f=-2.4!) USER MOD Single : A 397 SER OG : rot 150:sc= -2.62! 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 -35:sc= 0.681 USER MOD Single : A 428 TYR OH : rot 87:sc= 0.0772 USER MOD Single : A 430 LYS NZ :NH3+ 165:sc= -0.0393 (180deg=-0.24) USER MOD Single : A 431 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.2!) USER MOD Single : A 433 GLN :FLIP amide:sc= -0.25 F(o=-0.94,f=-0.25) USER MOD Single : A 435 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0467) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -5.62! C(o=-5.6!,f=-9.7!) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.00563 USER MOD Single : A 447 ASN : amide:sc= -0.612 X(o=-0.61,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.839 12.108 -6.280 1.00 0.00 N ATOM 257 CA ARG A 376 -5.042 11.578 -7.387 1.00 0.00 C ATOM 258 C ARG A 376 -3.869 10.744 -6.870 1.00 0.00 C ATOM 259 O ARG A 376 -3.601 10.697 -5.664 1.00 0.00 O ATOM 260 CB ARG A 376 -4.519 12.727 -8.298 1.00 0.00 C ATOM 261 CG ARG A 376 -5.581 13.339 -9.208 1.00 0.00 C ATOM 262 CD ARG A 376 -5.969 14.756 -8.801 1.00 0.00 C ATOM 263 NE ARG A 376 -4.830 15.664 -8.768 1.00 0.00 N ATOM 264 CZ ARG A 376 -4.752 16.734 -7.965 1.00 0.00 C ATOM 265 NH1 ARG A 376 -5.750 17.026 -7.141 1.00 0.00 N ATOM 266 NH2 ARG A 376 -3.677 17.495 -7.970 1.00 0.00 N ATOM 0 HA ARG A 376 -5.691 10.933 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.100 13.512 -7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.705 12.345 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -5.211 13.350 -10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -6.469 12.707 -9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.713 15.139 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.437 14.732 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.046 15.474 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -6.581 16.435 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -5.686 17.841 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -2.897 17.271 -8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -3.625 18.308 -7.356 1.00 0.00 H new ATOM 280 N THR A 377 -3.172 10.091 -7.796 1.00 0.00 N ATOM 281 CA THR A 377 -2.026 9.253 -7.477 1.00 0.00 C ATOM 282 C THR A 377 -0.733 10.030 -7.703 1.00 0.00 C ATOM 283 O THR A 377 -0.637 10.804 -8.646 1.00 0.00 O ATOM 284 CB THR A 377 -2.056 7.939 -8.311 1.00 0.00 C ATOM 285 OG1 THR A 377 -0.874 7.151 -8.082 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.178 8.225 -9.798 1.00 0.00 C ATOM 0 H THR A 377 -3.389 10.130 -8.792 1.00 0.00 H new ATOM 0 HA THR A 377 -2.074 8.972 -6.425 1.00 0.00 H new ATOM 0 HB THR A 377 -2.933 7.380 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 377 -0.919 6.331 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.196 7.285 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 377 -3.100 8.775 -9.988 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.326 8.821 -10.125 1.00 0.00 H new ATOM 294 N SER A 378 0.234 9.839 -6.828 1.00 0.00 N ATOM 295 CA SER A 378 1.492 10.572 -6.893 1.00 0.00 C ATOM 296 C SER A 378 2.174 10.396 -8.259 1.00 0.00 C ATOM 297 O SER A 378 2.449 9.271 -8.677 1.00 0.00 O ATOM 298 CB SER A 378 2.431 10.105 -5.771 1.00 0.00 C ATOM 299 OG SER A 378 3.583 10.953 -5.694 1.00 0.00 O ATOM 0 H SER A 378 0.175 9.177 -6.055 1.00 0.00 H new ATOM 0 HA SER A 378 1.271 11.631 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 378 1.901 10.114 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 378 2.741 9.076 -5.953 1.00 0.00 H new ATOM 0 HG SER A 378 3.301 11.891 -5.717 1.00 0.00 H new ATOM 305 N CYS A 379 2.406 11.518 -8.946 1.00 0.00 N ATOM 306 CA CYS A 379 3.172 11.535 -10.175 1.00 0.00 C ATOM 307 C CYS A 379 4.522 10.879 -9.919 1.00 0.00 C ATOM 308 O CYS A 379 5.374 11.488 -9.254 1.00 0.00 O ATOM 309 CB CYS A 379 3.324 12.996 -10.671 1.00 0.00 C ATOM 310 SG CYS A 379 3.864 13.183 -12.416 1.00 0.00 S ATOM 0 H CYS A 379 2.064 12.435 -8.658 1.00 0.00 H new ATOM 0 HA CYS A 379 2.660 10.974 -10.957 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.368 13.505 -10.548 1.00 0.00 H new ATOM 0 HB3 CYS A 379 4.042 13.507 -10.029 1.00 0.00 H new ATOM 0 HG CYS A 379 2.856 13.563 -13.144 1.00 0.00 H new ATOM 315 N MET A 380 4.679 9.640 -10.362 1.00 0.00 N ATOM 316 CA MET A 380 5.923 8.896 -10.141 1.00 0.00 C ATOM 317 C MET A 380 7.148 9.708 -10.542 1.00 0.00 C ATOM 318 O MET A 380 8.238 9.532 -9.996 1.00 0.00 O ATOM 319 CB MET A 380 5.892 7.565 -10.932 1.00 0.00 C ATOM 320 CG MET A 380 5.846 7.698 -12.429 1.00 0.00 C ATOM 321 SD MET A 380 5.853 6.095 -13.319 1.00 0.00 S ATOM 322 CE MET A 380 7.300 5.334 -12.610 1.00 0.00 C ATOM 0 H MET A 380 3.965 9.124 -10.877 1.00 0.00 H new ATOM 0 HA MET A 380 5.997 8.687 -9.074 1.00 0.00 H new ATOM 0 HB2 MET A 380 6.774 6.984 -10.664 1.00 0.00 H new ATOM 0 HB3 MET A 380 5.023 6.992 -10.610 1.00 0.00 H new ATOM 0 HG2 MET A 380 4.950 8.253 -12.707 1.00 0.00 H new ATOM 0 HG3 MET A 380 6.701 8.288 -12.758 1.00 0.00 H new ATOM 0 HE1 MET A 380 7.651 4.538 -13.267 1.00 0.00 H new ATOM 0 HE2 MET A 380 8.084 6.082 -12.494 1.00 0.00 H new ATOM 0 HE3 MET A 380 7.050 4.916 -11.635 1.00 0.00 H new ATOM 332 N TYR A 381 6.983 10.622 -11.489 1.00 0.00 N ATOM 333 CA TYR A 381 8.059 11.500 -11.903 1.00 0.00 C ATOM 334 C TYR A 381 8.022 12.822 -11.141 1.00 0.00 C ATOM 335 O TYR A 381 9.018 13.553 -11.088 1.00 0.00 O ATOM 336 CB TYR A 381 7.969 11.778 -13.416 1.00 0.00 C ATOM 337 CG TYR A 381 8.018 10.530 -14.280 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.052 9.606 -14.103 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.062 10.275 -15.240 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.114 8.451 -14.875 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.113 9.135 -16.003 1.00 0.00 C ATOM 342 CZ TYR A 381 8.142 8.212 -15.822 1.00 0.00 C ATOM 343 OH TYR A 381 8.219 7.060 -16.580 1.00 0.00 O ATOM 0 H TYR A 381 6.105 10.772 -11.986 1.00 0.00 H new ATOM 0 HA TYR A 381 9.000 10.998 -11.678 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.042 12.313 -13.622 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.788 12.438 -13.703 1.00 0.00 H new ATOM 0 HD1 TYR A 381 9.812 9.791 -13.358 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.261 10.983 -15.394 1.00 0.00 H new ATOM 0 HE1 TYR A 381 9.919 7.745 -14.733 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.352 8.952 -16.747 1.00 0.00 H new ATOM 0 HH TYR A 381 7.464 7.028 -17.204 1.00 0.00 H new ATOM 353 N GLY A 382 6.868 13.131 -10.566 1.00 0.00 N ATOM 354 CA GLY A 382 6.696 14.374 -9.814 1.00 0.00 C ATOM 355 C GLY A 382 6.823 15.579 -10.700 1.00 0.00 C ATOM 356 O GLY A 382 6.147 15.665 -11.722 1.00 0.00 O ATOM 0 H GLY A 382 6.036 12.542 -10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.718 14.377 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.441 14.425 -9.020 1.00 0.00 H new ATOM 360 N ALA A 383 7.707 16.494 -10.318 1.00 0.00 N ATOM 361 CA ALA A 383 7.942 17.716 -11.085 1.00 0.00 C ATOM 362 C ALA A 383 8.866 17.464 -12.268 1.00 0.00 C ATOM 363 O ALA A 383 9.190 18.384 -13.029 1.00 0.00 O ATOM 364 CB ALA A 383 8.505 18.817 -10.179 1.00 0.00 C ATOM 0 H ALA A 383 8.277 16.413 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 383 6.984 18.050 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.674 19.720 -10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.794 19.031 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.448 18.484 -9.745 1.00 0.00 H new ATOM 370 N ASN A 384 9.293 16.210 -12.413 1.00 0.00 N ATOM 371 CA ASN A 384 10.232 15.835 -13.464 1.00 0.00 C ATOM 372 C ASN A 384 9.494 15.325 -14.705 1.00 0.00 C ATOM 373 O ASN A 384 10.115 15.090 -15.748 1.00 0.00 O ATOM 374 CB ASN A 384 11.215 14.771 -12.958 1.00 0.00 C ATOM 375 CG ASN A 384 12.041 15.266 -11.786 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.115 15.867 -11.977 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.576 15.013 -10.565 1.00 0.00 N ATOM 0 H ASN A 384 9.002 15.437 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 384 10.794 16.726 -13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.662 13.880 -12.660 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.880 14.477 -13.770 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.104 15.314 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.692 14.518 -10.448 1.00 0.00 H new ATOM 384 N CYS A 385 8.182 15.158 -14.597 1.00 0.00 N ATOM 385 CA CYS A 385 7.381 14.750 -15.747 1.00 0.00 C ATOM 386 C CYS A 385 7.212 15.921 -16.712 1.00 0.00 C ATOM 387 O CYS A 385 6.814 17.018 -16.324 1.00 0.00 O ATOM 388 CB CYS A 385 6.016 14.189 -15.310 1.00 0.00 C ATOM 389 SG CYS A 385 5.079 15.219 -14.141 1.00 0.00 S ATOM 0 H CYS A 385 7.653 15.297 -13.736 1.00 0.00 H new ATOM 0 HA CYS A 385 7.909 13.948 -16.264 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.406 14.034 -16.200 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.174 13.210 -14.858 1.00 0.00 H new ATOM 0 HG CYS A 385 4.731 14.502 -13.114 1.00 0.00 H new ATOM 394 N TYR A 386 7.536 15.667 -17.996 1.00 0.00 N ATOM 395 CA TYR A 386 7.520 16.708 -19.015 1.00 0.00 C ATOM 396 C TYR A 386 6.100 16.933 -19.543 1.00 0.00 C ATOM 397 O TYR A 386 5.878 17.708 -20.478 1.00 0.00 O ATOM 398 CB TYR A 386 8.479 16.373 -20.173 1.00 0.00 C ATOM 399 CG TYR A 386 8.178 15.053 -20.868 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.723 13.867 -20.404 1.00 0.00 C ATOM 401 CD2 TYR A 386 7.359 14.996 -22.001 1.00 0.00 C ATOM 402 CE1 TYR A 386 8.480 12.660 -21.029 1.00 0.00 C ATOM 403 CE2 TYR A 386 7.109 13.796 -22.644 1.00 0.00 C ATOM 404 CZ TYR A 386 7.672 12.629 -22.153 1.00 0.00 C ATOM 405 OH TYR A 386 7.422 11.431 -22.775 1.00 0.00 O ATOM 0 H TYR A 386 7.810 14.747 -18.341 1.00 0.00 H new ATOM 0 HA TYR A 386 7.865 17.631 -18.548 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.437 17.176 -20.909 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.499 16.345 -19.789 1.00 0.00 H new ATOM 0 HD1 TYR A 386 9.356 13.887 -19.529 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.914 15.904 -22.380 1.00 0.00 H new ATOM 0 HE1 TYR A 386 8.916 11.749 -20.645 1.00 0.00 H new ATOM 0 HE2 TYR A 386 6.480 13.770 -23.522 1.00 0.00 H new ATOM 0 HH TYR A 386 6.837 11.579 -23.547 1.00 0.00 H new ATOM 415 N ARG A 387 5.138 16.212 -18.960 1.00 0.00 N ATOM 416 CA ARG A 387 3.731 16.423 -19.273 1.00 0.00 C ATOM 417 C ARG A 387 3.158 17.510 -18.363 1.00 0.00 C ATOM 418 O ARG A 387 3.098 17.342 -17.144 1.00 0.00 O ATOM 419 CB ARG A 387 2.934 15.123 -19.112 1.00 0.00 C ATOM 420 CG ARG A 387 3.407 13.996 -20.034 1.00 0.00 C ATOM 421 CD ARG A 387 3.291 14.367 -21.505 1.00 0.00 C ATOM 422 NE ARG A 387 3.778 13.316 -22.393 1.00 0.00 N ATOM 423 CZ ARG A 387 3.672 13.344 -23.722 1.00 0.00 C ATOM 424 NH1 ARG A 387 3.070 14.367 -24.320 1.00 0.00 N ATOM 425 NH2 ARG A 387 4.174 12.362 -24.436 1.00 0.00 N ATOM 0 H ARG A 387 5.312 15.480 -18.271 1.00 0.00 H new ATOM 0 HA ARG A 387 3.650 16.743 -20.312 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.006 14.789 -18.077 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.881 15.325 -19.310 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.444 13.752 -19.804 1.00 0.00 H new ATOM 0 HG3 ARG A 387 2.818 13.099 -19.840 1.00 0.00 H new ATOM 0 HD2 ARG A 387 2.248 14.581 -21.740 1.00 0.00 H new ATOM 0 HD3 ARG A 387 3.854 15.282 -21.690 1.00 0.00 H new ATOM 0 HE ARG A 387 4.230 12.506 -21.969 1.00 0.00 H new ATOM 0 HH11 ARG A 387 2.689 15.131 -23.762 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.989 14.388 -25.337 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.642 11.583 -23.973 1.00 0.00 H new ATOM 0 HH22 ARG A 387 4.095 12.379 -25.453 1.00 0.00 H new ATOM 439 N LYS A 388 2.746 18.619 -18.961 1.00 0.00 N ATOM 440 CA LYS A 388 2.210 19.775 -18.224 1.00 0.00 C ATOM 441 C LYS A 388 0.768 20.017 -18.624 1.00 0.00 C ATOM 442 O LYS A 388 0.112 20.962 -18.171 1.00 0.00 O ATOM 443 CB LYS A 388 3.064 21.041 -18.472 1.00 0.00 C ATOM 444 CG LYS A 388 3.447 21.277 -19.929 1.00 0.00 C ATOM 445 CD LYS A 388 4.698 20.490 -20.308 1.00 0.00 C ATOM 446 CE LYS A 388 5.079 20.685 -21.761 1.00 0.00 C ATOM 447 NZ LYS A 388 6.288 19.887 -22.129 1.00 0.00 N ATOM 0 H LYS A 388 2.770 18.751 -19.972 1.00 0.00 H new ATOM 0 HA LYS A 388 2.251 19.553 -17.158 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.514 21.910 -18.110 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.975 20.970 -17.878 1.00 0.00 H new ATOM 0 HG2 LYS A 388 2.621 20.984 -20.576 1.00 0.00 H new ATOM 0 HG3 LYS A 388 3.620 22.340 -20.094 1.00 0.00 H new ATOM 0 HD2 LYS A 388 5.527 20.801 -19.672 1.00 0.00 H new ATOM 0 HD3 LYS A 388 4.530 19.430 -20.117 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.244 20.394 -22.398 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.270 21.742 -21.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 6.263 19.667 -23.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.145 20.436 -21.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 6.299 19.002 -21.583 1.00 0.00 H new ATOM 461 N ASN A 389 0.271 19.139 -19.493 1.00 0.00 N ATOM 462 CA ASN A 389 -1.125 19.129 -19.875 1.00 0.00 C ATOM 463 C ASN A 389 -1.998 18.820 -18.643 1.00 0.00 C ATOM 464 O ASN A 389 -1.652 17.936 -17.856 1.00 0.00 O ATOM 465 CB ASN A 389 -1.344 18.087 -20.981 1.00 0.00 C ATOM 466 CG ASN A 389 -0.867 16.693 -20.603 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.314 16.372 -20.729 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.773 15.848 -20.153 1.00 0.00 N ATOM 0 H ASN A 389 0.831 18.418 -19.948 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.412 20.108 -20.260 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.405 18.046 -21.225 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.822 18.409 -21.882 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.502 14.898 -19.898 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.745 16.144 -20.060 1.00 0.00 H new ATOM 475 N PRO A 390 -3.122 19.549 -18.458 1.00 0.00 N ATOM 476 CA PRO A 390 -3.962 19.439 -17.258 1.00 0.00 C ATOM 477 C PRO A 390 -4.394 18.012 -16.967 1.00 0.00 C ATOM 478 O PRO A 390 -4.598 17.640 -15.810 1.00 0.00 O ATOM 479 CB PRO A 390 -5.174 20.342 -17.589 1.00 0.00 C ATOM 480 CG PRO A 390 -5.135 20.521 -19.064 1.00 0.00 C ATOM 481 CD PRO A 390 -3.665 20.523 -19.416 1.00 0.00 C ATOM 0 HA PRO A 390 -3.429 19.741 -16.356 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.108 19.878 -17.273 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.104 21.300 -17.074 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -5.662 19.715 -19.574 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -5.614 21.454 -19.362 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -3.492 20.220 -20.449 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.217 21.509 -19.294 1.00 0.00 H new ATOM 489 N VAL A 391 -4.510 17.204 -18.023 1.00 0.00 N ATOM 490 CA VAL A 391 -4.909 15.813 -17.873 1.00 0.00 C ATOM 491 C VAL A 391 -3.887 15.056 -17.029 1.00 0.00 C ATOM 492 O VAL A 391 -4.249 14.221 -16.196 1.00 0.00 O ATOM 493 CB VAL A 391 -5.131 15.096 -19.228 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.315 13.576 -19.022 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.347 15.693 -19.949 1.00 0.00 C ATOM 0 H VAL A 391 -4.333 17.492 -18.985 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.872 15.816 -17.362 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.247 15.248 -19.847 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.469 13.094 -19.987 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.425 13.163 -18.548 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -6.181 13.397 -18.385 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.493 15.181 -20.900 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.235 15.568 -19.329 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.178 16.754 -20.130 1.00 0.00 H new ATOM 505 N HIS A 392 -2.600 15.382 -17.198 1.00 0.00 N ATOM 506 CA HIS A 392 -1.553 14.735 -16.412 1.00 0.00 C ATOM 507 C HIS A 392 -1.784 14.944 -14.913 1.00 0.00 C ATOM 508 O HIS A 392 -1.406 14.106 -14.078 1.00 0.00 O ATOM 509 CB HIS A 392 -0.178 15.249 -16.826 1.00 0.00 C ATOM 510 CG HIS A 392 0.966 14.624 -16.091 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.207 13.273 -16.059 1.00 0.00 N ATOM 512 CD2 HIS A 392 1.931 15.183 -15.321 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.268 13.042 -15.276 1.00 0.00 C ATOM 514 NE2 HIS A 392 2.751 14.176 -14.796 1.00 0.00 N ATOM 0 H HIS A 392 -2.266 16.080 -17.863 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.592 13.664 -16.610 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -0.046 15.075 -17.894 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.146 16.328 -16.672 1.00 0.00 H new ATOM 0 HD2 HIS A 392 2.049 16.241 -15.140 1.00 0.00 H new ATOM 0 HE1 HIS A 392 2.674 12.064 -15.065 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.552 14.293 -14.175 1.00 0.00 H new ATOM 522 N PHE A 393 -2.419 16.066 -14.586 1.00 0.00 N ATOM 523 CA PHE A 393 -2.663 16.453 -13.193 1.00 0.00 C ATOM 524 C PHE A 393 -4.027 15.986 -12.687 1.00 0.00 C ATOM 525 O PHE A 393 -4.270 15.931 -11.477 1.00 0.00 O ATOM 526 CB PHE A 393 -2.559 17.975 -13.051 1.00 0.00 C ATOM 527 CG PHE A 393 -1.202 18.519 -13.390 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.837 18.745 -14.713 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.294 18.825 -12.390 1.00 0.00 C ATOM 530 CE1 PHE A 393 0.413 19.254 -15.022 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.958 19.327 -12.695 1.00 0.00 C ATOM 532 CZ PHE A 393 1.314 19.541 -14.011 1.00 0.00 C ATOM 0 H PHE A 393 -2.778 16.731 -15.271 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.902 15.963 -12.585 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.301 18.443 -13.698 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.808 18.254 -12.027 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -1.535 18.521 -15.506 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -0.568 18.669 -11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 393 0.685 19.427 -16.053 1.00 0.00 H new ATOM 0 HE2 PHE A 393 1.657 19.552 -11.903 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.292 19.931 -14.251 1.00 0.00 H new ATOM 542 N GLN A 394 -4.932 15.661 -13.618 1.00 0.00 N ATOM 543 CA GLN A 394 -6.304 15.285 -13.230 1.00 0.00 C ATOM 544 C GLN A 394 -6.339 13.878 -12.643 1.00 0.00 C ATOM 545 O GLN A 394 -7.270 13.504 -11.931 1.00 0.00 O ATOM 546 CB GLN A 394 -7.278 15.444 -14.418 1.00 0.00 C ATOM 547 CG GLN A 394 -7.145 14.367 -15.492 1.00 0.00 C ATOM 548 CD GLN A 394 -8.155 13.237 -15.333 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.886 12.214 -14.695 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.341 13.422 -15.894 1.00 0.00 N ATOM 0 H GLN A 394 -4.750 15.649 -14.622 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.638 15.967 -12.448 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.300 15.436 -14.038 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -7.116 16.419 -14.877 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.271 14.824 -16.474 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.137 13.953 -15.460 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.531 14.278 -16.414 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -10.064 12.708 -15.805 1.00 0.00 H new ATOM 559 N HIS A 395 -5.312 13.067 -12.929 1.00 0.00 N ATOM 560 CA HIS A 395 -5.205 11.720 -12.344 1.00 0.00 C ATOM 561 C HIS A 395 -3.898 11.551 -11.549 1.00 0.00 C ATOM 562 O HIS A 395 -3.773 10.607 -10.768 1.00 0.00 O ATOM 563 CB HIS A 395 -5.371 10.598 -13.398 1.00 0.00 C ATOM 564 CG HIS A 395 -4.576 10.756 -14.647 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.430 10.061 -14.886 1.00 0.00 N ATOM 566 CD2 HIS A 395 -4.755 11.567 -15.714 1.00 0.00 C ATOM 567 CE1 HIS A 395 -2.926 10.425 -16.051 1.00 0.00 C ATOM 568 NE2 HIS A 395 -3.715 11.340 -16.579 1.00 0.00 N ATOM 0 H HIS A 395 -4.548 13.316 -13.557 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.037 11.620 -11.646 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.100 9.649 -12.936 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.425 10.532 -13.667 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -3.023 9.365 -14.261 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -5.567 12.265 -15.858 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -2.021 10.039 -16.496 1.00 0.00 H new ATOM 577 N PHE A 396 -2.924 12.447 -11.746 1.00 0.00 N ATOM 578 CA PHE A 396 -1.695 12.437 -10.926 1.00 0.00 C ATOM 579 C PHE A 396 -1.492 13.754 -10.184 1.00 0.00 C ATOM 580 O PHE A 396 -1.663 14.834 -10.747 1.00 0.00 O ATOM 581 CB PHE A 396 -0.444 12.118 -11.768 1.00 0.00 C ATOM 582 CG PHE A 396 -0.349 10.673 -12.189 1.00 0.00 C ATOM 583 CD1 PHE A 396 -1.084 10.206 -13.252 1.00 0.00 C ATOM 584 CD2 PHE A 396 0.495 9.794 -11.528 1.00 0.00 C ATOM 585 CE1 PHE A 396 -0.990 8.893 -13.651 1.00 0.00 C ATOM 586 CE2 PHE A 396 0.586 8.467 -11.918 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.162 8.018 -12.978 1.00 0.00 C ATOM 0 H PHE A 396 -2.956 13.180 -12.454 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.830 11.644 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.446 12.747 -12.658 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.445 12.379 -11.195 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -1.744 10.878 -13.781 1.00 0.00 H new ATOM 0 HD2 PHE A 396 1.089 10.148 -10.698 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -1.567 8.545 -14.495 1.00 0.00 H new ATOM 0 HE2 PHE A 396 1.242 7.790 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.103 6.984 -13.284 1.00 0.00 H new ATOM 597 N SER A 397 -1.107 13.657 -8.919 1.00 0.00 N ATOM 598 CA SER A 397 -0.793 14.835 -8.114 1.00 0.00 C ATOM 599 C SER A 397 0.693 15.124 -8.191 1.00 0.00 C ATOM 600 O SER A 397 1.510 14.216 -8.346 1.00 0.00 O ATOM 601 CB SER A 397 -1.192 14.565 -6.655 1.00 0.00 C ATOM 602 OG SER A 397 -2.556 14.151 -6.560 1.00 0.00 O ATOM 0 H SER A 397 -1.003 12.771 -8.424 1.00 0.00 H new ATOM 0 HA SER A 397 -1.343 15.696 -8.492 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.545 13.794 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.041 15.466 -6.061 1.00 0.00 H new ATOM 0 HG SER A 397 -2.664 13.553 -5.791 1.00 0.00 H new ATOM 608 N HIS A 398 1.050 16.401 -8.075 1.00 0.00 N ATOM 609 CA HIS A 398 2.441 16.840 -8.220 1.00 0.00 C ATOM 610 C HIS A 398 2.903 17.627 -6.993 1.00 0.00 C ATOM 611 O HIS A 398 2.076 18.101 -6.219 1.00 0.00 O ATOM 612 CB HIS A 398 2.571 17.673 -9.509 1.00 0.00 C ATOM 613 CG HIS A 398 2.407 16.827 -10.740 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.237 16.173 -11.072 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.306 16.473 -11.679 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.467 15.454 -12.177 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.714 15.609 -12.583 1.00 0.00 N ATOM 0 H HIS A 398 0.393 17.156 -7.880 1.00 0.00 H new ATOM 0 HA HIS A 398 3.090 15.968 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.820 18.463 -9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.546 18.160 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.331 16.811 -11.720 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.734 14.832 -12.669 1.00 0.00 H new ATOM 0 HE2 HIS A 398 3.152 15.179 -13.398 1.00 0.00 H new ATOM 625 N PRO A 399 4.237 17.754 -6.786 1.00 0.00 N ATOM 626 CA PRO A 399 4.789 18.473 -5.624 1.00 0.00 C ATOM 627 C PRO A 399 4.329 19.922 -5.597 1.00 0.00 C ATOM 628 O PRO A 399 4.922 20.800 -6.233 1.00 0.00 O ATOM 629 CB PRO A 399 6.315 18.374 -5.823 1.00 0.00 C ATOM 630 CG PRO A 399 6.486 18.073 -7.278 1.00 0.00 C ATOM 631 CD PRO A 399 5.310 17.215 -7.642 1.00 0.00 C ATOM 0 HA PRO A 399 4.459 18.050 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.812 19.305 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.746 17.588 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.504 18.988 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.426 17.553 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.062 17.296 -8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.499 16.161 -7.438 1.00 0.00 H new ATOM 639 N GLY A 400 3.232 20.150 -4.879 1.00 0.00 N ATOM 640 CA GLY A 400 2.637 21.471 -4.755 1.00 0.00 C ATOM 641 C GLY A 400 1.136 21.349 -4.701 1.00 0.00 C ATOM 642 O GLY A 400 0.434 22.301 -4.347 1.00 0.00 O ATOM 0 H GLY A 400 2.733 19.422 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.004 21.963 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 400 2.931 22.094 -5.600 1.00 0.00 H new ATOM 646 N ASP A 401 0.656 20.164 -5.041 1.00 0.00 N ATOM 647 CA ASP A 401 -0.763 19.846 -5.013 1.00 0.00 C ATOM 648 C ASP A 401 -1.197 19.428 -3.606 1.00 0.00 C ATOM 649 O ASP A 401 -0.430 18.804 -2.874 1.00 0.00 O ATOM 650 CB ASP A 401 -1.042 18.691 -5.991 1.00 0.00 C ATOM 651 CG ASP A 401 -0.954 19.096 -7.461 1.00 0.00 C ATOM 652 OD1 ASP A 401 -0.664 20.272 -7.761 1.00 0.00 O ATOM 653 OD2 ASP A 401 -1.195 18.233 -8.330 1.00 0.00 O ATOM 0 H ASP A 401 1.245 19.389 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.326 20.733 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.331 17.887 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.036 18.291 -5.792 1.00 0.00 H new ATOM 658 N SER A 402 -2.423 19.779 -3.251 1.00 0.00 N ATOM 659 CA SER A 402 -2.993 19.384 -1.959 1.00 0.00 C ATOM 660 C SER A 402 -3.193 17.874 -1.915 1.00 0.00 C ATOM 661 O SER A 402 -3.161 17.257 -0.851 1.00 0.00 O ATOM 662 CB SER A 402 -4.331 20.098 -1.755 1.00 0.00 C ATOM 663 OG SER A 402 -4.195 21.500 -1.949 1.00 0.00 O ATOM 0 H SER A 402 -3.047 20.336 -3.834 1.00 0.00 H new ATOM 0 HA SER A 402 -2.308 19.667 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 402 -5.069 19.701 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 402 -4.703 19.901 -0.750 1.00 0.00 H new ATOM 0 HG SER A 402 -5.063 21.935 -1.815 1.00 0.00 H new ATOM 669 N ASP A 403 -3.365 17.294 -3.098 1.00 0.00 N ATOM 670 CA ASP A 403 -3.631 15.856 -3.221 1.00 0.00 C ATOM 671 C ASP A 403 -2.327 15.067 -3.264 1.00 0.00 C ATOM 672 O ASP A 403 -2.344 13.835 -3.268 1.00 0.00 O ATOM 673 CB ASP A 403 -4.440 15.567 -4.493 1.00 0.00 C ATOM 674 CG ASP A 403 -5.893 16.014 -4.415 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.208 16.914 -3.607 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.733 15.446 -5.146 1.00 0.00 O ATOM 0 H ASP A 403 -3.326 17.792 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 403 -4.206 15.547 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -3.962 16.065 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.410 14.496 -4.696 1.00 0.00 H new ATOM 681 N TYR A 404 -1.206 15.779 -3.273 1.00 0.00 N ATOM 682 CA TYR A 404 0.096 15.131 -3.349 1.00 0.00 C ATOM 683 C TYR A 404 0.485 14.555 -1.999 1.00 0.00 C ATOM 684 O TYR A 404 0.281 15.191 -0.958 1.00 0.00 O ATOM 685 CB TYR A 404 1.150 16.122 -3.827 1.00 0.00 C ATOM 686 CG TYR A 404 2.481 15.501 -4.162 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.659 14.781 -5.341 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.574 15.612 -3.312 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.875 14.207 -5.681 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.797 15.039 -3.622 1.00 0.00 C ATOM 691 CZ TYR A 404 4.939 14.347 -4.805 1.00 0.00 C ATOM 692 OH TYR A 404 6.149 13.774 -5.134 1.00 0.00 O ATOM 0 H TYR A 404 -1.173 16.798 -3.229 1.00 0.00 H new ATOM 0 HA TYR A 404 0.034 14.313 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 404 0.772 16.639 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.299 16.876 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.822 14.666 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.468 16.158 -2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.990 13.664 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.631 15.134 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 404 6.801 13.956 -4.425 1.00 0.00 H new ATOM 849 N ASP A 416 12.436 -1.589 -4.554 1.00 0.00 N ATOM 850 CA ASP A 416 13.195 -1.967 -3.374 1.00 0.00 C ATOM 851 C ASP A 416 14.462 -2.724 -3.761 1.00 0.00 C ATOM 852 O ASP A 416 15.576 -2.259 -3.541 1.00 0.00 O ATOM 853 CB ASP A 416 12.321 -2.784 -2.407 1.00 0.00 C ATOM 854 CG ASP A 416 13.076 -3.317 -1.201 1.00 0.00 C ATOM 855 OD1 ASP A 416 13.304 -2.546 -0.248 1.00 0.00 O ATOM 856 OD2 ASP A 416 13.423 -4.531 -1.181 1.00 0.00 O ATOM 0 HA ASP A 416 13.503 -1.059 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 416 11.497 -2.160 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 416 11.882 -3.622 -2.948 1.00 0.00 H new ATOM 861 N ASP A 417 14.283 -3.906 -4.349 1.00 0.00 N ATOM 862 CA ASP A 417 15.398 -4.749 -4.786 1.00 0.00 C ATOM 863 C ASP A 417 14.981 -5.724 -5.904 1.00 0.00 C ATOM 864 O ASP A 417 15.815 -6.144 -6.710 1.00 0.00 O ATOM 865 CB ASP A 417 15.958 -5.548 -3.597 1.00 0.00 C ATOM 866 CG ASP A 417 17.049 -6.533 -3.988 1.00 0.00 C ATOM 867 OD1 ASP A 417 18.225 -6.098 -4.101 1.00 0.00 O ATOM 868 OD2 ASP A 417 16.756 -7.720 -4.174 1.00 0.00 O ATOM 0 H ASP A 417 13.364 -4.307 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 417 16.166 -4.086 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 417 16.355 -4.853 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 417 15.143 -6.091 -3.119 1.00 0.00 H new ATOM 873 N ARG A 418 13.689 -6.062 -5.968 1.00 0.00 N ATOM 874 CA ARG A 418 13.214 -7.159 -6.821 1.00 0.00 C ATOM 875 C ARG A 418 11.712 -7.012 -7.118 1.00 0.00 C ATOM 876 O ARG A 418 11.057 -6.156 -6.518 1.00 0.00 O ATOM 877 CB ARG A 418 13.490 -8.496 -6.103 1.00 0.00 C ATOM 878 CG ARG A 418 13.250 -8.415 -4.601 1.00 0.00 C ATOM 879 CD ARG A 418 13.582 -9.696 -3.867 1.00 0.00 C ATOM 880 NE ARG A 418 13.568 -9.490 -2.410 1.00 0.00 N ATOM 881 CZ ARG A 418 13.464 -10.459 -1.510 1.00 0.00 C ATOM 882 NH1 ARG A 418 13.321 -11.726 -1.885 1.00 0.00 N ATOM 883 NH2 ARG A 418 13.504 -10.155 -0.216 1.00 0.00 N ATOM 0 H ARG A 418 12.953 -5.593 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 418 13.743 -7.132 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 418 12.852 -9.271 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 418 14.522 -8.797 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 418 13.849 -7.603 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 418 12.205 -8.163 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 418 12.862 -10.469 -4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 418 14.564 -10.053 -4.178 1.00 0.00 H new ATOM 0 HE ARG A 418 13.644 -8.532 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 418 13.290 -11.964 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 418 13.242 -12.460 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 418 13.614 -9.184 0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 418 13.425 -10.893 0.484 1.00 0.00 H new ATOM 897 N PRO A 419 11.149 -7.818 -8.049 1.00 0.00 N ATOM 898 CA PRO A 419 9.708 -7.799 -8.332 1.00 0.00 C ATOM 899 C PRO A 419 8.882 -8.182 -7.108 1.00 0.00 C ATOM 900 O PRO A 419 9.354 -8.921 -6.252 1.00 0.00 O ATOM 901 CB PRO A 419 9.538 -8.830 -9.466 1.00 0.00 C ATOM 902 CG PRO A 419 10.755 -9.683 -9.399 1.00 0.00 C ATOM 903 CD PRO A 419 11.857 -8.797 -8.899 1.00 0.00 C ATOM 0 HA PRO A 419 9.357 -6.805 -8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 419 8.633 -9.422 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 419 9.453 -8.339 -10.436 1.00 0.00 H new ATOM 0 HG2 PRO A 419 10.601 -10.529 -8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 419 10.999 -10.092 -10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 419 12.599 -9.359 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 419 12.385 -8.310 -9.719 1.00 0.00 H new ATOM 911 N GLU A 420 7.663 -7.668 -7.023 1.00 0.00 N ATOM 912 CA GLU A 420 6.797 -7.926 -5.860 1.00 0.00 C ATOM 913 C GLU A 420 5.985 -9.209 -6.057 1.00 0.00 C ATOM 914 O GLU A 420 5.544 -9.520 -7.172 1.00 0.00 O ATOM 915 CB GLU A 420 5.853 -6.735 -5.626 1.00 0.00 C ATOM 916 CG GLU A 420 6.591 -5.403 -5.466 1.00 0.00 C ATOM 917 CD GLU A 420 5.646 -4.211 -5.288 1.00 0.00 C ATOM 918 OE1 GLU A 420 4.887 -3.895 -6.240 1.00 0.00 O ATOM 919 OE2 GLU A 420 5.680 -3.585 -4.204 1.00 0.00 O ATOM 0 H GLU A 420 7.245 -7.072 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 420 7.433 -8.054 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 420 5.159 -6.660 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 420 5.257 -6.922 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 420 7.256 -5.464 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 420 7.218 -5.234 -6.341 1.00 0.00 H new ATOM 926 N CYS A 421 5.806 -9.959 -4.980 1.00 0.00 N ATOM 927 CA CYS A 421 5.031 -11.198 -5.008 1.00 0.00 C ATOM 928 C CYS A 421 3.561 -10.857 -5.283 1.00 0.00 C ATOM 929 O CYS A 421 2.949 -10.131 -4.509 1.00 0.00 O ATOM 930 CB CYS A 421 5.176 -11.934 -3.674 1.00 0.00 C ATOM 931 SG CYS A 421 4.670 -13.699 -3.701 1.00 0.00 S ATOM 0 H CYS A 421 6.191 -9.730 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 421 5.401 -11.852 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 421 6.217 -11.875 -3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 421 4.582 -11.413 -2.923 1.00 0.00 H new ATOM 0 HG CYS A 421 5.706 -14.451 -3.474 1.00 0.00 H new ATOM 936 N PRO A 422 2.974 -11.406 -6.367 1.00 0.00 N ATOM 937 CA PRO A 422 1.623 -11.042 -6.805 1.00 0.00 C ATOM 938 C PRO A 422 0.551 -11.442 -5.771 1.00 0.00 C ATOM 939 O PRO A 422 -0.609 -11.052 -5.864 1.00 0.00 O ATOM 940 CB PRO A 422 1.441 -11.807 -8.120 1.00 0.00 C ATOM 941 CG PRO A 422 2.425 -12.923 -8.055 1.00 0.00 C ATOM 942 CD PRO A 422 3.587 -12.412 -7.248 1.00 0.00 C ATOM 0 HA PRO A 422 1.508 -9.965 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 422 0.423 -12.184 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 422 1.629 -11.164 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 422 1.984 -13.804 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 422 2.745 -13.218 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 422 4.062 -13.210 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.356 -11.974 -7.884 1.00 0.00 H new ATOM 950 N TYR A 423 0.961 -12.226 -4.776 1.00 0.00 N ATOM 951 CA TYR A 423 0.062 -12.685 -3.720 1.00 0.00 C ATOM 952 C TYR A 423 0.296 -11.930 -2.418 1.00 0.00 C ATOM 953 O TYR A 423 -0.417 -12.131 -1.438 1.00 0.00 O ATOM 954 CB TYR A 423 0.253 -14.188 -3.490 1.00 0.00 C ATOM 955 CG TYR A 423 -0.032 -15.071 -4.701 1.00 0.00 C ATOM 956 CD1 TYR A 423 -1.327 -15.480 -5.007 1.00 0.00 C ATOM 957 CD2 TYR A 423 1.008 -15.497 -5.534 1.00 0.00 C ATOM 958 CE1 TYR A 423 -1.586 -16.298 -6.098 1.00 0.00 C ATOM 959 CE2 TYR A 423 0.749 -16.304 -6.625 1.00 0.00 C ATOM 960 CZ TYR A 423 -0.545 -16.700 -6.897 1.00 0.00 C ATOM 961 OH TYR A 423 -0.783 -17.516 -7.978 1.00 0.00 O ATOM 0 H TYR A 423 1.920 -12.559 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.961 -12.489 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 423 1.279 -14.362 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -0.396 -14.500 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 423 -2.146 -15.154 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 423 2.022 -15.192 -5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 423 -2.595 -16.615 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 423 1.558 -16.625 -7.264 1.00 0.00 H new ATOM 0 HH TYR A 423 0.062 -17.705 -8.437 1.00 0.00 H new ATOM 971 N GLY A 424 1.292 -11.050 -2.410 1.00 0.00 N ATOM 972 CA GLY A 424 1.638 -10.315 -1.197 1.00 0.00 C ATOM 973 C GLY A 424 2.252 -11.209 -0.136 1.00 0.00 C ATOM 974 O GLY A 424 2.840 -12.231 -0.461 1.00 0.00 O ATOM 0 H GLY A 424 1.869 -10.829 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 424 2.338 -9.517 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 424 0.743 -9.840 -0.795 1.00 0.00 H new ATOM 978 N PRO A 425 2.098 -10.863 1.155 1.00 0.00 N ATOM 979 CA PRO A 425 2.593 -11.688 2.264 1.00 0.00 C ATOM 980 C PRO A 425 1.688 -12.907 2.497 1.00 0.00 C ATOM 981 O PRO A 425 2.042 -13.829 3.215 1.00 0.00 O ATOM 982 CB PRO A 425 2.561 -10.724 3.464 1.00 0.00 C ATOM 983 CG PRO A 425 1.445 -9.790 3.152 1.00 0.00 C ATOM 984 CD PRO A 425 1.436 -9.630 1.649 1.00 0.00 C ATOM 0 HA PRO A 425 3.585 -12.101 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 425 2.385 -11.257 4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 425 3.506 -10.193 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 425 0.494 -10.188 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 425 1.592 -8.829 3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 425 0.421 -9.540 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 425 1.976 -8.735 1.339 1.00 0.00 H new ATOM 992 N SER A 426 0.518 -12.883 1.853 1.00 0.00 N ATOM 993 CA SER A 426 -0.417 -14.011 1.893 1.00 0.00 C ATOM 994 C SER A 426 -0.052 -15.037 0.825 1.00 0.00 C ATOM 995 O SER A 426 -0.793 -15.992 0.579 1.00 0.00 O ATOM 996 CB SER A 426 -1.867 -13.534 1.700 1.00 0.00 C ATOM 997 OG SER A 426 -2.801 -14.593 1.835 1.00 0.00 O ATOM 0 H SER A 426 0.195 -12.092 1.296 1.00 0.00 H new ATOM 0 HA SER A 426 -0.342 -14.479 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 426 -2.093 -12.757 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 426 -1.971 -13.083 0.713 1.00 0.00 H new ATOM 0 HG SER A 426 -2.412 -15.420 1.480 1.00 0.00 H new ATOM 1003 N CYS A 427 1.098 -14.826 0.191 1.00 0.00 N ATOM 1004 CA CYS A 427 1.588 -15.749 -0.819 1.00 0.00 C ATOM 1005 C CYS A 427 1.797 -17.137 -0.229 1.00 0.00 C ATOM 1006 O CYS A 427 2.598 -17.336 0.675 1.00 0.00 O ATOM 1007 CB CYS A 427 2.910 -15.201 -1.373 1.00 0.00 C ATOM 1008 SG CYS A 427 3.594 -16.071 -2.821 1.00 0.00 S ATOM 0 H CYS A 427 1.705 -14.024 0.361 1.00 0.00 H new ATOM 0 HA CYS A 427 0.854 -15.838 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 427 2.763 -14.154 -1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 427 3.653 -15.225 -0.576 1.00 0.00 H new ATOM 0 HG CYS A 427 4.443 -15.298 -3.431 1.00 0.00 H new ATOM 1013 N TYR A 428 1.045 -18.101 -0.745 1.00 0.00 N ATOM 1014 CA TYR A 428 1.098 -19.479 -0.282 1.00 0.00 C ATOM 1015 C TYR A 428 1.943 -20.319 -1.223 1.00 0.00 C ATOM 1016 O TYR A 428 1.986 -21.533 -1.121 1.00 0.00 O ATOM 1017 CB TYR A 428 -0.329 -20.054 -0.163 1.00 0.00 C ATOM 1018 CG TYR A 428 -1.275 -19.562 -1.237 1.00 0.00 C ATOM 1019 CD1 TYR A 428 -1.908 -18.328 -1.114 1.00 0.00 C ATOM 1020 CD2 TYR A 428 -1.555 -20.322 -2.368 1.00 0.00 C ATOM 1021 CE1 TYR A 428 -2.776 -17.857 -2.087 1.00 0.00 C ATOM 1022 CE2 TYR A 428 -2.426 -19.866 -3.340 1.00 0.00 C ATOM 1023 CZ TYR A 428 -3.024 -18.623 -3.196 1.00 0.00 C ATOM 1024 OH TYR A 428 -3.899 -18.178 -4.151 1.00 0.00 O ATOM 0 H TYR A 428 0.378 -17.946 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 428 1.562 -19.504 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -0.278 -21.142 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -0.736 -19.794 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -1.718 -17.723 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 428 -1.083 -21.286 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -3.253 -16.895 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 428 -2.640 -20.474 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 428 -3.420 -17.620 -4.799 1.00 0.00 H new ATOM 1034 N ARG A 429 2.653 -19.647 -2.116 1.00 0.00 N ATOM 1035 CA ARG A 429 3.565 -20.314 -3.030 1.00 0.00 C ATOM 1036 C ARG A 429 4.727 -20.928 -2.261 1.00 0.00 C ATOM 1037 O ARG A 429 5.565 -20.204 -1.702 1.00 0.00 O ATOM 1038 CB ARG A 429 4.063 -19.325 -4.094 1.00 0.00 C ATOM 1039 CG ARG A 429 2.960 -18.657 -4.907 1.00 0.00 C ATOM 1040 CD ARG A 429 2.253 -19.613 -5.880 1.00 0.00 C ATOM 1041 NE ARG A 429 1.422 -20.622 -5.194 1.00 0.00 N ATOM 1042 CZ ARG A 429 0.192 -20.976 -5.590 1.00 0.00 C ATOM 1043 NH1 ARG A 429 -0.388 -20.384 -6.620 1.00 0.00 N ATOM 1044 NH2 ARG A 429 -0.455 -21.937 -4.947 1.00 0.00 N ATOM 0 H ARG A 429 2.614 -18.634 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 429 3.035 -21.120 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 429 4.654 -18.551 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 429 4.731 -19.851 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 429 2.222 -18.234 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 429 3.386 -17.827 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 429 1.626 -19.034 -6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 429 3.000 -20.120 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 429 1.808 -21.078 -4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 429 0.101 -19.646 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -1.325 -20.665 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -0.017 -22.404 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -1.392 -22.209 -5.245 1.00 0.00 H new ATOM 1058 N LYS A 430 4.750 -22.250 -2.183 1.00 0.00 N ATOM 1059 CA LYS A 430 5.693 -22.985 -1.358 1.00 0.00 C ATOM 1060 C LYS A 430 7.005 -23.197 -2.105 1.00 0.00 C ATOM 1061 O LYS A 430 7.180 -24.209 -2.794 1.00 0.00 O ATOM 1062 CB LYS A 430 5.092 -24.329 -0.938 1.00 0.00 C ATOM 1063 CG LYS A 430 3.686 -24.212 -0.371 1.00 0.00 C ATOM 1064 CD LYS A 430 3.055 -25.562 -0.105 1.00 0.00 C ATOM 1065 CE LYS A 430 3.757 -26.298 1.038 1.00 0.00 C ATOM 1066 NZ LYS A 430 3.599 -25.589 2.335 1.00 0.00 N ATOM 0 H LYS A 430 4.105 -22.849 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 430 5.900 -22.401 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 430 5.074 -24.995 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 430 5.739 -24.791 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 430 3.718 -23.640 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 430 3.062 -23.654 -1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 430 2.001 -25.429 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 430 3.098 -26.169 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 430 3.351 -27.306 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 430 4.817 -26.400 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 3.859 -26.228 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 4.218 -24.753 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 2.610 -25.289 2.449 1.00 0.00 H new ATOM 1080 N ASN A 431 7.913 -22.230 -2.017 1.00 0.00 N ATOM 1081 CA ASN A 431 9.231 -22.329 -2.642 1.00 0.00 C ATOM 1082 C ASN A 431 10.168 -21.249 -2.109 1.00 0.00 C ATOM 1083 O ASN A 431 9.829 -20.063 -2.148 1.00 0.00 O ATOM 1084 CB ASN A 431 9.126 -22.182 -4.175 1.00 0.00 C ATOM 1085 CG ASN A 431 10.428 -22.545 -4.880 1.00 0.00 C ATOM 1086 OD1 ASN A 431 11.097 -23.508 -4.530 1.00 0.00 O ATOM 1087 ND2 ASN A 431 10.824 -21.759 -5.862 1.00 0.00 N ATOM 0 H ASN A 431 7.758 -21.357 -1.512 1.00 0.00 H new ATOM 0 HA ASN A 431 9.632 -23.312 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 431 8.324 -22.821 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 431 8.855 -21.155 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 431 11.702 -21.949 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 431 10.252 -20.961 -6.139 1.00 0.00 H new ATOM 1094 N PRO A 432 11.344 -21.636 -1.599 1.00 0.00 N ATOM 1095 CA PRO A 432 12.300 -20.674 -1.054 1.00 0.00 C ATOM 1096 C PRO A 432 12.828 -19.734 -2.123 1.00 0.00 C ATOM 1097 O PRO A 432 13.052 -18.551 -1.861 1.00 0.00 O ATOM 1098 CB PRO A 432 13.436 -21.559 -0.501 1.00 0.00 C ATOM 1099 CG PRO A 432 13.299 -22.857 -1.221 1.00 0.00 C ATOM 1100 CD PRO A 432 11.832 -23.016 -1.501 1.00 0.00 C ATOM 0 HA PRO A 432 11.848 -20.030 -0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 432 14.412 -21.108 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 432 13.343 -21.694 0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 432 13.876 -22.854 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 432 13.673 -23.682 -0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 432 11.658 -23.568 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 432 11.329 -23.563 -0.703 1.00 0.00 H new ATOM 1108 N GLN A 433 13.007 -20.245 -3.344 1.00 0.00 N ATOM 1109 CA GLN A 433 13.498 -19.434 -4.437 1.00 0.00 C ATOM 1110 C GLN A 433 12.512 -18.338 -4.782 1.00 0.00 C ATOM 1111 O GLN A 433 12.889 -17.204 -5.058 1.00 0.00 O ATOM 1112 CB GLN A 433 13.778 -20.303 -5.664 1.00 0.00 C ATOM 1113 CG GLN A 433 14.328 -19.549 -6.857 1.00 0.00 C ATOM 1114 CD GLN A 433 15.647 -18.863 -6.563 1.00 0.00 C ATOM 1115 OE1 GLN A 433 15.591 -17.615 -6.126 1.00 0.00 O flip ATOM 1116 NE2 GLN A 433 16.713 -19.448 -6.735 1.00 0.00 N flip ATOM 0 H GLN A 433 12.817 -21.216 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 433 14.430 -18.967 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 433 14.486 -21.084 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 433 12.854 -20.801 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 433 14.462 -20.241 -7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 433 13.600 -18.804 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 433 16.718 -20.410 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 433 17.593 -18.972 -6.540 1.00 0.00 H new ATOM 1125 N HIS A 434 11.233 -18.665 -4.710 1.00 0.00 N ATOM 1126 CA HIS A 434 10.159 -17.702 -4.993 1.00 0.00 C ATOM 1127 C HIS A 434 10.288 -16.499 -4.059 1.00 0.00 C ATOM 1128 O HIS A 434 10.312 -15.351 -4.498 1.00 0.00 O ATOM 1129 CB HIS A 434 8.783 -18.353 -4.778 1.00 0.00 C ATOM 1130 CG HIS A 434 7.668 -17.346 -4.689 1.00 0.00 C ATOM 1131 ND1 HIS A 434 7.331 -16.501 -5.723 1.00 0.00 N ATOM 1132 CD2 HIS A 434 6.858 -17.018 -3.651 1.00 0.00 C ATOM 1133 CE1 HIS A 434 6.360 -15.696 -5.284 1.00 0.00 C ATOM 1134 NE2 HIS A 434 6.030 -15.965 -4.031 1.00 0.00 N ATOM 0 H HIS A 434 10.902 -19.596 -4.457 1.00 0.00 H new ATOM 0 HA HIS A 434 10.247 -17.381 -6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 434 8.580 -19.041 -5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 434 8.805 -18.945 -3.863 1.00 0.00 H new ATOM 0 HD1 HIS A 434 7.747 -16.492 -6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 434 6.856 -17.498 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 434 5.900 -14.920 -5.879 1.00 0.00 H new ATOM 1142 N LYS A 435 10.386 -16.793 -2.783 1.00 0.00 N ATOM 1143 CA LYS A 435 10.586 -15.791 -1.729 1.00 0.00 C ATOM 1144 C LYS A 435 11.877 -14.980 -1.951 1.00 0.00 C ATOM 1145 O LYS A 435 12.007 -13.860 -1.462 1.00 0.00 O ATOM 1146 CB LYS A 435 10.606 -16.499 -0.380 1.00 0.00 C ATOM 1147 CG LYS A 435 9.297 -17.205 -0.067 1.00 0.00 C ATOM 1148 CD LYS A 435 9.447 -18.195 1.098 1.00 0.00 C ATOM 1149 CE LYS A 435 9.997 -17.502 2.344 1.00 0.00 C ATOM 1150 NZ LYS A 435 9.107 -16.402 2.821 1.00 0.00 N ATOM 0 H LYS A 435 10.330 -17.748 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 435 9.763 -15.076 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 435 11.418 -17.226 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 435 10.818 -15.772 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 435 8.535 -16.466 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 435 8.950 -17.736 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 435 8.480 -18.643 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 435 10.113 -19.006 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 435 10.122 -18.236 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 435 10.985 -17.098 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 9.468 -16.030 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 9.089 -15.639 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 8.144 -16.770 2.959 1.00 0.00 H new ATOM 1164 N ILE A 436 12.820 -15.565 -2.682 1.00 0.00 N ATOM 1165 CA ILE A 436 14.089 -14.906 -2.981 1.00 0.00 C ATOM 1166 C ILE A 436 13.917 -13.913 -4.141 1.00 0.00 C ATOM 1167 O ILE A 436 14.491 -12.826 -4.139 1.00 0.00 O ATOM 1168 CB ILE A 436 15.183 -15.955 -3.311 1.00 0.00 C ATOM 1169 CG1 ILE A 436 15.539 -16.759 -2.049 1.00 0.00 C ATOM 1170 CG2 ILE A 436 16.416 -15.315 -3.923 1.00 0.00 C ATOM 1171 CD1 ILE A 436 16.498 -17.900 -2.308 1.00 0.00 C ATOM 0 H ILE A 436 12.730 -16.499 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 436 14.407 -14.350 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 436 14.781 -16.638 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 436 15.978 -16.087 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 436 14.623 -17.157 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 436 17.157 -16.085 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 436 16.141 -14.807 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 436 16.837 -14.593 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 436 16.704 -18.422 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 436 16.053 -18.594 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 436 17.429 -17.507 -2.716 1.00 0.00 H new ATOM 1183 N GLU A 437 13.084 -14.290 -5.109 1.00 0.00 N ATOM 1184 CA GLU A 437 12.947 -13.507 -6.322 1.00 0.00 C ATOM 1185 C GLU A 437 11.946 -12.360 -6.136 1.00 0.00 C ATOM 1186 O GLU A 437 12.122 -11.275 -6.677 1.00 0.00 O ATOM 1187 CB GLU A 437 12.493 -14.390 -7.493 1.00 0.00 C ATOM 1188 CG GLU A 437 13.280 -15.698 -7.639 1.00 0.00 C ATOM 1189 CD GLU A 437 12.872 -16.521 -8.856 1.00 0.00 C ATOM 1190 OE1 GLU A 437 13.242 -16.162 -10.000 1.00 0.00 O ATOM 1191 OE2 GLU A 437 12.158 -17.543 -8.692 1.00 0.00 O ATOM 0 H GLU A 437 12.501 -15.126 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 437 13.927 -13.086 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 437 11.437 -14.627 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 437 12.582 -13.821 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 437 14.343 -15.467 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 437 13.140 -16.299 -6.740 1.00 0.00 H new ATOM 1198 N TYR A 438 10.909 -12.611 -5.345 1.00 0.00 N ATOM 1199 CA TYR A 438 9.816 -11.664 -5.175 1.00 0.00 C ATOM 1200 C TYR A 438 9.837 -11.025 -3.800 1.00 0.00 C ATOM 1201 O TYR A 438 10.365 -11.610 -2.848 1.00 0.00 O ATOM 1202 CB TYR A 438 8.469 -12.381 -5.391 1.00 0.00 C ATOM 1203 CG TYR A 438 8.224 -12.846 -6.807 1.00 0.00 C ATOM 1204 CD1 TYR A 438 8.846 -13.975 -7.302 1.00 0.00 C ATOM 1205 CD2 TYR A 438 7.351 -12.155 -7.645 1.00 0.00 C ATOM 1206 CE1 TYR A 438 8.615 -14.414 -8.595 1.00 0.00 C ATOM 1207 CE2 TYR A 438 7.112 -12.586 -8.944 1.00 0.00 C ATOM 1208 CZ TYR A 438 7.745 -13.716 -9.406 1.00 0.00 C ATOM 1209 OH TYR A 438 7.515 -14.137 -10.682 1.00 0.00 O ATOM 0 H TYR A 438 10.803 -13.471 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 438 9.941 -10.874 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 438 8.421 -13.243 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 438 7.663 -11.708 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 438 9.526 -14.526 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 438 6.852 -11.270 -7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 438 9.113 -15.298 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.436 -12.039 -9.584 1.00 0.00 H new ATOM 0 HH TYR A 438 6.876 -13.534 -11.115 1.00 0.00 H new ATOM 1219 N ARG A 439 9.269 -9.834 -3.675 1.00 0.00 N ATOM 1220 CA ARG A 439 9.118 -9.163 -2.389 1.00 0.00 C ATOM 1221 C ARG A 439 7.770 -9.541 -1.794 1.00 0.00 C ATOM 1222 O ARG A 439 6.728 -9.297 -2.409 1.00 0.00 O ATOM 1223 CB ARG A 439 9.195 -7.624 -2.526 1.00 0.00 C ATOM 1224 CG ARG A 439 10.151 -7.136 -3.593 1.00 0.00 C ATOM 1225 CD ARG A 439 10.445 -5.642 -3.481 1.00 0.00 C ATOM 1226 NE ARG A 439 9.252 -4.786 -3.553 1.00 0.00 N ATOM 1227 CZ ARG A 439 8.926 -3.875 -2.610 1.00 0.00 C ATOM 1228 NH1 ARG A 439 9.554 -3.843 -1.453 1.00 0.00 N ATOM 1229 NH2 ARG A 439 7.919 -3.036 -2.828 1.00 0.00 N ATOM 0 H ARG A 439 8.899 -9.303 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 439 9.936 -9.482 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 439 8.198 -7.241 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 439 9.494 -7.201 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 439 11.085 -7.693 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 439 9.730 -7.347 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 439 10.957 -5.454 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 439 11.131 -5.357 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 439 8.636 -4.885 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 439 10.299 -4.512 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 439 9.296 -3.149 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 439 7.397 -3.082 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 439 7.668 -2.346 -2.120 1.00 0.00 H new ATOM 1243 N HIS A 440 7.776 -10.152 -0.622 1.00 0.00 N ATOM 1244 CA HIS A 440 6.538 -10.433 0.094 1.00 0.00 C ATOM 1245 C HIS A 440 6.244 -9.279 1.046 1.00 0.00 C ATOM 1246 O HIS A 440 6.504 -9.350 2.239 1.00 0.00 O ATOM 1247 CB HIS A 440 6.633 -11.800 0.795 1.00 0.00 C ATOM 1248 CG HIS A 440 6.639 -12.929 -0.195 1.00 0.00 C ATOM 1249 ND1 HIS A 440 7.771 -13.362 -0.849 1.00 0.00 N ATOM 1250 CD2 HIS A 440 5.620 -13.676 -0.698 1.00 0.00 C ATOM 1251 CE1 HIS A 440 7.414 -14.321 -1.708 1.00 0.00 C ATOM 1252 NE2 HIS A 440 6.107 -14.557 -1.659 1.00 0.00 N ATOM 0 H HIS A 440 8.622 -10.464 -0.144 1.00 0.00 H new ATOM 0 HA HIS A 440 5.697 -10.505 -0.595 1.00 0.00 H new ATOM 0 HB2 HIS A 440 7.541 -11.838 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 440 5.792 -11.919 1.478 1.00 0.00 H new ATOM 0 HD2 HIS A 440 4.586 -13.597 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 440 8.101 -14.839 -2.360 1.00 0.00 H new ATOM 0 HE2 HIS A 440 5.577 -15.235 -2.206 1.00 0.00 H new ATOM 1260 N ASN A 441 5.720 -8.209 0.449 1.00 0.00 N ATOM 1261 CA ASN A 441 5.525 -6.928 1.117 1.00 0.00 C ATOM 1262 C ASN A 441 4.547 -7.068 2.248 1.00 0.00 C ATOM 1263 O ASN A 441 3.346 -7.185 2.025 1.00 0.00 O ATOM 1264 CB ASN A 441 5.023 -5.867 0.141 1.00 0.00 C ATOM 1265 CG ASN A 441 5.947 -5.645 -1.060 1.00 0.00 C ATOM 1266 OD1 ASN A 441 6.653 -6.540 -1.479 1.00 0.00 O ATOM 1267 ND2 ASN A 441 5.905 -4.454 -1.621 1.00 0.00 N ATOM 0 H ASN A 441 5.416 -8.210 -0.525 1.00 0.00 H new ATOM 0 HA ASN A 441 6.491 -6.612 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 441 4.036 -6.157 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 441 4.903 -4.924 0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 441 6.480 -4.255 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 441 5.298 -3.730 -1.237 1.00 0.00 H new ATOM 1274 N THR A 442 5.049 -7.040 3.464 1.00 0.00 N ATOM 1275 CA THR A 442 4.223 -7.140 4.631 1.00 0.00 C ATOM 1276 C THR A 442 3.784 -5.724 5.031 1.00 0.00 C ATOM 1277 O THR A 442 4.579 -4.783 4.998 1.00 0.00 O ATOM 1278 CB THR A 442 4.965 -7.812 5.798 1.00 0.00 C ATOM 1279 OG1 THR A 442 6.041 -8.619 5.279 1.00 0.00 O ATOM 1280 CG2 THR A 442 4.026 -8.693 6.599 1.00 0.00 C ATOM 0 H THR A 442 6.045 -6.947 3.663 1.00 0.00 H new ATOM 0 HA THR A 442 3.357 -7.761 4.401 1.00 0.00 H new ATOM 0 HB THR A 442 5.358 -7.033 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 442 6.516 -9.047 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 442 4.574 -9.158 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 442 3.214 -8.088 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 442 3.614 -9.468 5.953 1.00 0.00 H new ATOM 1288 N LEU A 443 2.531 -5.597 5.406 1.00 0.00 N ATOM 1289 CA LEU A 443 1.963 -4.294 5.694 1.00 0.00 C ATOM 1290 C LEU A 443 1.724 -4.111 7.197 1.00 0.00 C ATOM 1291 O LEU A 443 1.422 -5.066 7.909 1.00 0.00 O ATOM 1292 CB LEU A 443 0.678 -4.083 4.877 1.00 0.00 C ATOM 1293 CG LEU A 443 -0.247 -5.324 4.712 1.00 0.00 C ATOM 1294 CD1 LEU A 443 -0.849 -5.761 6.039 1.00 0.00 C ATOM 1295 CD2 LEU A 443 -1.356 -5.053 3.694 1.00 0.00 C ATOM 0 H LEU A 443 1.884 -6.378 5.519 1.00 0.00 H new ATOM 0 HA LEU A 443 2.679 -3.528 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 443 0.101 -3.287 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 443 0.958 -3.731 3.884 1.00 0.00 H new ATOM 0 HG LEU A 443 0.376 -6.138 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -1.488 -6.630 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -0.050 -6.020 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -1.441 -4.946 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -1.987 -5.937 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -1.960 -4.210 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -0.912 -4.818 2.726 1.00 0.00 H new ATOM 1307 N PRO A 444 1.913 -2.864 7.697 1.00 0.00 N ATOM 1308 CA PRO A 444 1.754 -2.556 9.125 1.00 0.00 C ATOM 1309 C PRO A 444 0.313 -2.804 9.593 1.00 0.00 C ATOM 1310 O PRO A 444 0.126 -3.374 10.672 1.00 0.00 O ATOM 1311 CB PRO A 444 2.109 -1.067 9.217 1.00 0.00 C ATOM 1312 CG PRO A 444 1.985 -0.546 7.834 1.00 0.00 C ATOM 1313 CD PRO A 444 2.312 -1.679 6.913 1.00 0.00 C ATOM 0 HA PRO A 444 2.380 -3.183 9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.435 -0.544 9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 444 3.120 -0.927 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.976 -0.177 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 444 2.665 0.291 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.760 -1.610 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 444 3.372 -1.700 6.659 1.00 0.00 H new ATOM 1321 N VAL A 445 -0.658 -2.360 8.789 1.00 0.00 N ATOM 1322 CA VAL A 445 -2.098 -2.466 9.116 1.00 0.00 C ATOM 1323 C VAL A 445 -2.350 -2.124 10.600 1.00 0.00 C ATOM 1324 O VAL A 445 -3.332 -2.541 11.197 1.00 0.00 O ATOM 1325 CB VAL A 445 -2.671 -3.871 8.770 1.00 0.00 C ATOM 1326 CG1 VAL A 445 -2.119 -4.953 9.678 1.00 0.00 C ATOM 1327 CG2 VAL A 445 -4.214 -3.891 8.806 1.00 0.00 C ATOM 0 H VAL A 445 -0.475 -1.915 7.890 1.00 0.00 H new ATOM 0 HA VAL A 445 -2.624 -1.739 8.498 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.348 -4.084 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -2.547 -5.916 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.035 -4.995 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -2.378 -4.727 10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -4.571 -4.891 8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -4.558 -3.620 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -4.604 -3.177 8.081 1.00 0.00 H new ATOM 1337 N ARG A 446 -1.473 -1.281 11.172 1.00 0.00 N ATOM 1338 CA ARG A 446 -1.511 -0.970 12.584 1.00 0.00 C ATOM 1339 C ARG A 446 -2.370 0.254 12.840 1.00 0.00 C ATOM 1340 O ARG A 446 -2.558 1.067 11.932 1.00 0.00 O ATOM 1341 CB ARG A 446 -0.060 -0.712 13.072 1.00 0.00 C ATOM 1342 CG ARG A 446 0.212 -1.099 14.509 1.00 0.00 C ATOM 1343 CD ARG A 446 0.022 -2.610 14.743 1.00 0.00 C ATOM 1344 NE ARG A 446 0.751 -3.423 13.755 1.00 0.00 N ATOM 1345 CZ ARG A 446 1.580 -4.417 14.061 1.00 0.00 C ATOM 1346 NH1 ARG A 446 1.823 -4.728 15.338 1.00 0.00 N ATOM 1347 NH2 ARG A 446 2.163 -5.136 13.094 1.00 0.00 N ATOM 0 H ARG A 446 -0.729 -0.807 10.660 1.00 0.00 H new ATOM 0 HA ARG A 446 -1.947 -1.807 13.129 1.00 0.00 H new ATOM 0 HB2 ARG A 446 0.627 -1.261 12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 446 0.165 0.347 12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 446 1.230 -0.816 14.775 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -0.455 -0.543 15.167 1.00 0.00 H new ATOM 0 HD2 ARG A 446 0.365 -2.866 15.745 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -1.040 -2.852 14.697 1.00 0.00 H new ATOM 0 HE ARG A 446 0.610 -3.209 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 446 1.371 -4.202 16.086 1.00 0.00 H new ATOM 0 HH12 ARG A 446 2.460 -5.492 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 446 1.973 -4.923 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 446 2.798 -5.897 13.336 1.00 0.00 H new ATOM 1361 N ASN A 447 -2.863 0.407 14.055 1.00 0.00 N ATOM 1362 CA ASN A 447 -3.659 1.581 14.414 1.00 0.00 C ATOM 1363 C ASN A 447 -2.938 2.393 15.482 1.00 0.00 C ATOM 1364 O ASN A 447 -3.205 2.270 16.683 1.00 0.00 O ATOM 1365 CB ASN A 447 -5.049 1.160 14.891 1.00 0.00 C ATOM 1366 CG ASN A 447 -5.036 0.162 16.041 1.00 0.00 C ATOM 1367 OD1 ASN A 447 -5.078 0.540 17.206 1.00 0.00 O ATOM 1368 ND2 ASN A 447 -4.999 -1.110 15.712 1.00 0.00 N ATOM 0 H ASN A 447 -2.730 -0.262 14.813 1.00 0.00 H new ATOM 0 HA ASN A 447 -3.783 2.207 13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -5.599 2.048 15.201 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -5.593 0.725 14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -5.005 -1.825 16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -4.965 -1.382 14.729 1.00 0.00 H new ATOM 1375 N VAL A 448 -1.968 3.179 15.038 1.00 0.00 N ATOM 1376 CA VAL A 448 -1.161 4.032 15.924 1.00 0.00 C ATOM 1377 C VAL A 448 -1.349 5.504 15.603 1.00 0.00 C ATOM 1378 O VAL A 448 -1.939 5.858 14.577 1.00 0.00 O ATOM 1379 CB VAL A 448 0.337 3.671 15.858 1.00 0.00 C ATOM 1380 CG1 VAL A 448 0.566 2.249 16.411 1.00 0.00 C ATOM 1381 CG2 VAL A 448 0.849 3.811 14.428 1.00 0.00 C ATOM 0 H VAL A 448 -1.711 3.249 14.053 1.00 0.00 H new ATOM 0 HA VAL A 448 -1.515 3.848 16.938 1.00 0.00 H new ATOM 0 HB VAL A 448 0.903 4.363 16.481 1.00 0.00 H new ATOM 0 HG11 VAL A 448 1.627 2.005 16.359 1.00 0.00 H new ATOM 0 HG12 VAL A 448 0.233 2.204 17.448 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -0.000 1.532 15.817 1.00 0.00 H new ATOM 0 HG21 VAL A 448 1.908 3.554 14.394 1.00 0.00 H new ATOM 0 HG22 VAL A 448 0.291 3.140 13.774 1.00 0.00 H new ATOM 0 HG23 VAL A 448 0.715 4.839 14.092 1.00 0.00 H new