USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=21 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 103:sc= -22.3! USER MOD Set 1.2: A 427 CYS SG : rot 177:sc= -7.55! USER MOD Set 1.3: A 434 HIS : no HE2:sc= -7.54! C(o=-42!,f=-78!) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -4.22! C(o=-42!,f=-77!) USER MOD Set 2.1: A 379 CYS SG : rot 178:sc= -3.65! USER MOD Set 2.2: A 385 CYS SG : rot -147:sc= -8.79! USER MOD Set 2.3: A 392 HIS : no HD1:sc= -8.29! C(o=-27!,f=-49!) USER MOD Set 2.4: A 398 HIS : no HE2:sc= -5.92! C(o=-27!,f=-51!) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl -154:sc= -0.277 (180deg=-1.17!) USER MOD Single : A 381 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 ASN : amide:sc= 0.893 K(o=0.89,f=0) 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= -0.978 K(o=-0.98,f=-9.9!) USER MOD Single : A 394 GLN : amide:sc= -0.8 K(o=-0.8,f=-5.4!) USER MOD Single : A 395 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-8.4!) USER MOD Single : A 397 SER OG : rot -160:sc= -0.651 USER MOD Single : A 402 SER OG : rot -27:sc= 0.148 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 180:sc= 0 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= -1.76 K(o=-1.8,f=-2.5!) USER MOD Single : A 433 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.085) USER MOD Single : A 435 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0667) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -8.83! C(o=-8.8!,f=-7.2!) USER MOD Single : A 442 THR OG1 : rot 52:sc= 0.356 USER MOD Single : A 447 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 256 N ARG A 376 -5.779 12.550 -6.123 1.00 0.00 N ATOM 257 CA ARG A 376 -4.951 11.992 -7.180 1.00 0.00 C ATOM 258 C ARG A 376 -3.842 11.131 -6.589 1.00 0.00 C ATOM 259 O ARG A 376 -3.518 11.211 -5.400 1.00 0.00 O ATOM 260 CB ARG A 376 -4.337 13.084 -8.078 1.00 0.00 C ATOM 261 CG ARG A 376 -5.283 13.620 -9.141 1.00 0.00 C ATOM 262 CD ARG A 376 -6.278 14.620 -8.579 1.00 0.00 C ATOM 263 NE ARG A 376 -5.616 15.784 -7.991 1.00 0.00 N ATOM 264 CZ ARG A 376 -6.154 16.563 -7.045 1.00 0.00 C ATOM 265 NH1 ARG A 376 -7.396 16.350 -6.610 1.00 0.00 N ATOM 266 NH2 ARG A 376 -5.439 17.534 -6.525 1.00 0.00 N ATOM 0 HA ARG A 376 -5.601 11.377 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -4.007 13.912 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.450 12.681 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.704 14.094 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -5.824 12.789 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -6.949 14.948 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -6.893 14.133 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 376 -4.681 16.018 -8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.948 15.586 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -7.794 16.951 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -4.482 17.689 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -5.840 18.133 -5.804 1.00 0.00 H new ATOM 280 N THR A 377 -3.276 10.290 -7.442 1.00 0.00 N ATOM 281 CA THR A 377 -2.201 9.379 -7.060 1.00 0.00 C ATOM 282 C THR A 377 -0.870 9.994 -7.479 1.00 0.00 C ATOM 283 O THR A 377 -0.799 10.656 -8.508 1.00 0.00 O ATOM 284 CB THR A 377 -2.383 7.969 -7.700 1.00 0.00 C ATOM 285 OG1 THR A 377 -1.339 7.065 -7.279 1.00 0.00 O ATOM 286 CG2 THR A 377 -2.423 8.049 -9.214 1.00 0.00 C ATOM 0 H THR A 377 -3.548 10.218 -8.422 1.00 0.00 H new ATOM 0 HA THR A 377 -2.224 9.239 -5.979 1.00 0.00 H new ATOM 0 HB THR A 377 -3.340 7.580 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 377 -1.479 6.188 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 377 -2.551 7.049 -9.628 1.00 0.00 H new ATOM 0 HG22 THR A 377 -3.257 8.679 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 377 -1.490 8.477 -9.581 1.00 0.00 H new ATOM 294 N SER A 378 0.152 9.772 -6.668 1.00 0.00 N ATOM 295 CA SER A 378 1.413 10.495 -6.809 1.00 0.00 C ATOM 296 C SER A 378 2.101 10.225 -8.149 1.00 0.00 C ATOM 297 O SER A 378 2.360 9.081 -8.521 1.00 0.00 O ATOM 298 CB SER A 378 2.333 10.144 -5.648 1.00 0.00 C ATOM 299 OG SER A 378 1.679 10.433 -4.412 1.00 0.00 O ATOM 0 H SER A 378 0.136 9.097 -5.903 1.00 0.00 H new ATOM 0 HA SER A 378 1.188 11.561 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 378 2.602 9.088 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 378 3.260 10.712 -5.722 1.00 0.00 H new ATOM 0 HG SER A 378 2.273 10.205 -3.667 1.00 0.00 H new ATOM 305 N CYS A 379 2.346 11.302 -8.884 1.00 0.00 N ATOM 306 CA CYS A 379 3.137 11.286 -10.102 1.00 0.00 C ATOM 307 C CYS A 379 4.533 10.747 -9.780 1.00 0.00 C ATOM 308 O CYS A 379 5.294 11.409 -9.066 1.00 0.00 O ATOM 309 CB CYS A 379 3.209 12.732 -10.670 1.00 0.00 C ATOM 310 SG CYS A 379 3.995 12.916 -12.303 1.00 0.00 S ATOM 0 H CYS A 379 1.992 12.228 -8.643 1.00 0.00 H new ATOM 0 HA CYS A 379 2.683 10.640 -10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 379 2.195 13.127 -10.731 1.00 0.00 H new ATOM 0 HB3 CYS A 379 3.751 13.354 -9.957 1.00 0.00 H new ATOM 0 HG CYS A 379 3.952 14.163 -12.667 1.00 0.00 H new ATOM 315 N MET A 380 4.850 9.552 -10.267 1.00 0.00 N ATOM 316 CA MET A 380 6.106 8.875 -9.930 1.00 0.00 C ATOM 317 C MET A 380 7.308 9.714 -10.352 1.00 0.00 C ATOM 318 O MET A 380 8.386 9.592 -9.779 1.00 0.00 O ATOM 319 CB MET A 380 6.214 7.498 -10.615 1.00 0.00 C ATOM 320 CG MET A 380 6.258 7.554 -12.133 1.00 0.00 C ATOM 321 SD MET A 380 6.574 5.941 -12.847 1.00 0.00 S ATOM 322 CE MET A 380 8.160 5.521 -12.095 1.00 0.00 C ATOM 0 H MET A 380 4.251 9.025 -10.902 1.00 0.00 H new ATOM 0 HA MET A 380 6.104 8.740 -8.848 1.00 0.00 H new ATOM 0 HB2 MET A 380 7.113 6.997 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 380 5.365 6.887 -10.311 1.00 0.00 H new ATOM 0 HG2 MET A 380 5.311 7.940 -12.510 1.00 0.00 H new ATOM 0 HG3 MET A 380 7.035 8.250 -12.449 1.00 0.00 H new ATOM 0 HE1 MET A 380 8.697 4.826 -12.741 1.00 0.00 H new ATOM 0 HE2 MET A 380 8.752 6.427 -11.965 1.00 0.00 H new ATOM 0 HE3 MET A 380 7.990 5.056 -11.124 1.00 0.00 H new ATOM 332 N TYR A 381 7.116 10.563 -11.361 1.00 0.00 N ATOM 333 CA TYR A 381 8.157 11.461 -11.824 1.00 0.00 C ATOM 334 C TYR A 381 8.003 12.826 -11.158 1.00 0.00 C ATOM 335 O TYR A 381 8.931 13.639 -11.181 1.00 0.00 O ATOM 336 CB TYR A 381 8.127 11.598 -13.356 1.00 0.00 C ATOM 337 CG TYR A 381 8.299 10.271 -14.094 1.00 0.00 C ATOM 338 CD1 TYR A 381 9.461 9.528 -13.948 1.00 0.00 C ATOM 339 CD2 TYR A 381 7.299 9.773 -14.931 1.00 0.00 C ATOM 340 CE1 TYR A 381 9.625 8.327 -14.619 1.00 0.00 C ATOM 341 CE2 TYR A 381 7.458 8.577 -15.586 1.00 0.00 C ATOM 342 CZ TYR A 381 8.624 7.858 -15.433 1.00 0.00 C ATOM 343 OH TYR A 381 8.764 6.670 -16.098 1.00 0.00 O ATOM 0 H TYR A 381 6.238 10.643 -11.874 1.00 0.00 H new ATOM 0 HA TYR A 381 9.124 11.041 -11.547 1.00 0.00 H new ATOM 0 HB2 TYR A 381 7.180 12.049 -13.653 1.00 0.00 H new ATOM 0 HB3 TYR A 381 8.917 12.282 -13.667 1.00 0.00 H new ATOM 0 HD1 TYR A 381 10.248 9.890 -13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 381 6.387 10.336 -15.065 1.00 0.00 H new ATOM 0 HE1 TYR A 381 10.538 7.761 -14.502 1.00 0.00 H new ATOM 0 HE2 TYR A 381 6.670 8.200 -16.221 1.00 0.00 H new ATOM 0 HH TYR A 381 7.958 6.494 -16.627 1.00 0.00 H new ATOM 353 N GLY A 382 6.838 13.070 -10.550 1.00 0.00 N ATOM 354 CA GLY A 382 6.603 14.330 -9.857 1.00 0.00 C ATOM 355 C GLY A 382 6.770 15.532 -10.768 1.00 0.00 C ATOM 356 O GLY A 382 6.079 15.665 -11.760 1.00 0.00 O ATOM 0 H GLY A 382 6.055 12.417 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 382 5.595 14.330 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 382 7.294 14.415 -9.018 1.00 0.00 H new ATOM 360 N ALA A 383 7.745 16.383 -10.431 1.00 0.00 N ATOM 361 CA ALA A 383 7.987 17.585 -11.200 1.00 0.00 C ATOM 362 C ALA A 383 8.935 17.325 -12.364 1.00 0.00 C ATOM 363 O ALA A 383 9.218 18.217 -13.169 1.00 0.00 O ATOM 364 CB ALA A 383 8.566 18.672 -10.284 1.00 0.00 C ATOM 0 H ALA A 383 8.370 16.254 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 383 7.037 17.920 -11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.748 19.577 -10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 383 7.858 18.889 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 383 9.504 18.323 -9.853 1.00 0.00 H new ATOM 370 N ASN A 384 9.448 16.085 -12.452 1.00 0.00 N ATOM 371 CA ASN A 384 10.403 15.723 -13.488 1.00 0.00 C ATOM 372 C ASN A 384 9.689 15.360 -14.790 1.00 0.00 C ATOM 373 O ASN A 384 10.261 15.491 -15.891 1.00 0.00 O ATOM 374 CB ASN A 384 11.276 14.557 -13.021 1.00 0.00 C ATOM 375 CG ASN A 384 12.086 14.919 -11.787 1.00 0.00 C ATOM 376 OD1 ASN A 384 13.227 15.409 -11.904 1.00 0.00 O ATOM 377 ND2 ASN A 384 11.513 14.701 -10.606 1.00 0.00 N ATOM 0 H ASN A 384 9.211 15.325 -11.814 1.00 0.00 H new ATOM 0 HA ASN A 384 11.039 16.587 -13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 384 10.645 13.695 -12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 384 11.950 14.263 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 384 12.010 14.937 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 384 10.577 14.298 -10.560 1.00 0.00 H new ATOM 384 N CYS A 385 8.436 14.924 -14.676 1.00 0.00 N ATOM 385 CA CYS A 385 7.620 14.663 -15.856 1.00 0.00 C ATOM 386 C CYS A 385 7.247 15.982 -16.533 1.00 0.00 C ATOM 387 O CYS A 385 6.595 16.832 -15.925 1.00 0.00 O ATOM 388 CB CYS A 385 6.371 13.867 -15.480 1.00 0.00 C ATOM 389 SG CYS A 385 5.470 14.541 -14.048 1.00 0.00 S ATOM 0 H CYS A 385 7.969 14.746 -13.787 1.00 0.00 H new ATOM 0 HA CYS A 385 8.197 14.064 -16.560 1.00 0.00 H new ATOM 0 HB2 CYS A 385 5.699 13.837 -16.338 1.00 0.00 H new ATOM 0 HB3 CYS A 385 6.659 12.838 -15.264 1.00 0.00 H new ATOM 0 HG CYS A 385 4.929 13.567 -13.378 1.00 0.00 H new ATOM 394 N TYR A 386 7.646 16.122 -17.795 1.00 0.00 N ATOM 395 CA TYR A 386 7.545 17.403 -18.504 1.00 0.00 C ATOM 396 C TYR A 386 6.113 17.662 -19.016 1.00 0.00 C ATOM 397 O TYR A 386 5.859 18.672 -19.663 1.00 0.00 O ATOM 398 CB TYR A 386 8.535 17.426 -19.669 1.00 0.00 C ATOM 399 CG TYR A 386 8.311 16.340 -20.723 1.00 0.00 C ATOM 400 CD1 TYR A 386 8.883 15.073 -20.568 1.00 0.00 C ATOM 401 CD2 TYR A 386 7.542 16.569 -21.848 1.00 0.00 C ATOM 402 CE1 TYR A 386 8.673 14.080 -21.502 1.00 0.00 C ATOM 403 CE2 TYR A 386 7.330 15.578 -22.794 1.00 0.00 C ATOM 404 CZ TYR A 386 7.898 14.338 -22.610 1.00 0.00 C ATOM 405 OH TYR A 386 7.693 13.345 -23.544 1.00 0.00 O ATOM 0 H TYR A 386 8.043 15.365 -18.352 1.00 0.00 H new ATOM 0 HA TYR A 386 7.789 18.198 -17.800 1.00 0.00 H new ATOM 0 HB2 TYR A 386 8.481 18.400 -20.154 1.00 0.00 H new ATOM 0 HB3 TYR A 386 9.545 17.324 -19.271 1.00 0.00 H new ATOM 0 HD1 TYR A 386 9.498 14.869 -19.704 1.00 0.00 H new ATOM 0 HD2 TYR A 386 7.096 17.542 -21.994 1.00 0.00 H new ATOM 0 HE1 TYR A 386 9.115 13.104 -21.365 1.00 0.00 H new ATOM 0 HE2 TYR A 386 6.725 15.777 -23.666 1.00 0.00 H new ATOM 0 HH TYR A 386 7.123 13.686 -24.265 1.00 0.00 H new ATOM 415 N ARG A 387 5.216 16.738 -18.724 1.00 0.00 N ATOM 416 CA ARG A 387 3.831 16.865 -19.155 1.00 0.00 C ATOM 417 C ARG A 387 3.175 18.102 -18.513 1.00 0.00 C ATOM 418 O ARG A 387 3.234 18.287 -17.284 1.00 0.00 O ATOM 419 CB ARG A 387 3.037 15.598 -18.796 1.00 0.00 C ATOM 420 CG ARG A 387 3.564 14.334 -19.478 1.00 0.00 C ATOM 421 CD ARG A 387 3.262 14.288 -20.971 1.00 0.00 C ATOM 422 NE ARG A 387 3.904 15.382 -21.715 1.00 0.00 N ATOM 423 CZ ARG A 387 3.495 15.837 -22.910 1.00 0.00 C ATOM 424 NH1 ARG A 387 2.480 15.230 -23.529 1.00 0.00 N ATOM 425 NH2 ARG A 387 4.085 16.863 -23.482 1.00 0.00 N ATOM 0 H ARG A 387 5.419 15.892 -18.191 1.00 0.00 H new ATOM 0 HA ARG A 387 3.821 16.989 -20.238 1.00 0.00 H new ATOM 0 HB2 ARG A 387 3.063 15.456 -17.716 1.00 0.00 H new ATOM 0 HB3 ARG A 387 1.993 15.742 -19.073 1.00 0.00 H new ATOM 0 HG2 ARG A 387 4.642 14.271 -19.330 1.00 0.00 H new ATOM 0 HG3 ARG A 387 3.125 13.460 -18.998 1.00 0.00 H new ATOM 0 HD2 ARG A 387 3.597 13.333 -21.376 1.00 0.00 H new ATOM 0 HD3 ARG A 387 2.183 14.336 -21.121 1.00 0.00 H new ATOM 0 HE ARG A 387 4.719 15.827 -21.293 1.00 0.00 H new ATOM 0 HH11 ARG A 387 2.023 14.429 -23.094 1.00 0.00 H new ATOM 0 HH12 ARG A 387 2.161 15.568 -24.437 1.00 0.00 H new ATOM 0 HH21 ARG A 387 4.866 17.326 -23.018 1.00 0.00 H new ATOM 0 HH22 ARG A 387 3.762 17.196 -24.390 1.00 0.00 H new ATOM 439 N LYS A 388 2.559 18.916 -19.356 1.00 0.00 N ATOM 440 CA LYS A 388 1.968 20.193 -18.940 1.00 0.00 C ATOM 441 C LYS A 388 0.445 20.156 -19.051 1.00 0.00 C ATOM 442 O LYS A 388 -0.253 21.045 -18.561 1.00 0.00 O ATOM 443 CB LYS A 388 2.534 21.358 -19.783 1.00 0.00 C ATOM 444 CG LYS A 388 2.004 21.437 -21.218 1.00 0.00 C ATOM 445 CD LYS A 388 2.448 20.255 -22.079 1.00 0.00 C ATOM 446 CE LYS A 388 2.232 20.498 -23.562 1.00 0.00 C ATOM 447 NZ LYS A 388 0.784 20.686 -23.907 1.00 0.00 N ATOM 0 H LYS A 388 2.451 18.716 -20.350 1.00 0.00 H new ATOM 0 HA LYS A 388 2.232 20.356 -17.895 1.00 0.00 H new ATOM 0 HB2 LYS A 388 2.308 22.296 -19.276 1.00 0.00 H new ATOM 0 HB3 LYS A 388 3.620 21.268 -19.817 1.00 0.00 H new ATOM 0 HG2 LYS A 388 0.915 21.476 -21.197 1.00 0.00 H new ATOM 0 HG3 LYS A 388 2.347 22.364 -21.677 1.00 0.00 H new ATOM 0 HD2 LYS A 388 3.504 20.055 -21.898 1.00 0.00 H new ATOM 0 HD3 LYS A 388 1.898 19.364 -21.777 1.00 0.00 H new ATOM 0 HE2 LYS A 388 2.793 21.381 -23.868 1.00 0.00 H new ATOM 0 HE3 LYS A 388 2.631 19.655 -24.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 0.689 20.849 -24.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 0.250 19.834 -23.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 0.408 21.506 -23.390 1.00 0.00 H new ATOM 461 N ASN A 389 -0.048 19.115 -19.714 1.00 0.00 N ATOM 462 CA ASN A 389 -1.470 18.952 -19.961 1.00 0.00 C ATOM 463 C ASN A 389 -2.215 18.706 -18.652 1.00 0.00 C ATOM 464 O ASN A 389 -1.747 17.937 -17.808 1.00 0.00 O ATOM 465 CB ASN A 389 -1.709 17.801 -20.943 1.00 0.00 C ATOM 466 CG ASN A 389 -1.040 16.493 -20.511 1.00 0.00 C ATOM 467 OD1 ASN A 389 0.029 16.501 -19.896 1.00 0.00 O ATOM 468 ND2 ASN A 389 -1.661 15.368 -20.823 1.00 0.00 N ATOM 0 H ASN A 389 0.528 18.364 -20.093 1.00 0.00 H new ATOM 0 HA ASN A 389 -1.854 19.870 -20.405 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -2.782 17.637 -21.046 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -1.334 18.086 -21.926 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -1.257 14.471 -20.554 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -2.544 15.397 -21.333 1.00 0.00 H new ATOM 475 N PRO A 390 -3.400 19.330 -18.480 1.00 0.00 N ATOM 476 CA PRO A 390 -4.153 19.245 -17.216 1.00 0.00 C ATOM 477 C PRO A 390 -4.538 17.804 -16.889 1.00 0.00 C ATOM 478 O PRO A 390 -4.718 17.446 -15.727 1.00 0.00 O ATOM 479 CB PRO A 390 -5.387 20.106 -17.469 1.00 0.00 C ATOM 480 CG PRO A 390 -5.510 20.179 -18.964 1.00 0.00 C ATOM 481 CD PRO A 390 -4.100 20.132 -19.482 1.00 0.00 C ATOM 0 HA PRO A 390 -3.571 19.585 -16.360 1.00 0.00 H new ATOM 0 HB2 PRO A 390 -6.276 19.663 -17.021 1.00 0.00 H new ATOM 0 HB3 PRO A 390 -5.272 21.099 -17.033 1.00 0.00 H new ATOM 0 HG2 PRO A 390 -6.099 19.347 -19.351 1.00 0.00 H new ATOM 0 HG3 PRO A 390 -6.012 21.096 -19.273 1.00 0.00 H new ATOM 0 HD2 PRO A 390 -4.050 19.675 -20.470 1.00 0.00 H new ATOM 0 HD3 PRO A 390 -3.670 21.130 -19.570 1.00 0.00 H new ATOM 489 N VAL A 391 -4.607 16.966 -17.914 1.00 0.00 N ATOM 490 CA VAL A 391 -4.903 15.554 -17.751 1.00 0.00 C ATOM 491 C VAL A 391 -3.832 14.899 -16.880 1.00 0.00 C ATOM 492 O VAL A 391 -4.159 14.121 -15.978 1.00 0.00 O ATOM 493 CB VAL A 391 -5.012 14.815 -19.110 1.00 0.00 C ATOM 494 CG1 VAL A 391 -5.102 13.320 -18.920 1.00 0.00 C ATOM 495 CG2 VAL A 391 -6.212 15.325 -19.904 1.00 0.00 C ATOM 0 H VAL A 391 -4.459 17.249 -18.883 1.00 0.00 H new ATOM 0 HA VAL A 391 -5.875 15.476 -17.264 1.00 0.00 H new ATOM 0 HB VAL A 391 -4.104 15.025 -19.675 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -5.177 12.834 -19.893 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -4.210 12.964 -18.404 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -5.984 13.081 -18.326 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -6.272 14.794 -20.854 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -7.125 15.153 -19.334 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -6.097 16.393 -20.091 1.00 0.00 H new ATOM 505 N HIS A 392 -2.579 15.264 -17.114 1.00 0.00 N ATOM 506 CA HIS A 392 -1.456 14.734 -16.317 1.00 0.00 C ATOM 507 C HIS A 392 -1.698 14.947 -14.827 1.00 0.00 C ATOM 508 O HIS A 392 -1.331 14.104 -14.005 1.00 0.00 O ATOM 509 CB HIS A 392 -0.150 15.398 -16.771 1.00 0.00 C ATOM 510 CG HIS A 392 1.061 14.959 -16.011 1.00 0.00 C ATOM 511 ND1 HIS A 392 1.421 13.643 -15.788 1.00 0.00 N ATOM 512 CD2 HIS A 392 2.041 15.709 -15.442 1.00 0.00 C ATOM 513 CE1 HIS A 392 2.569 13.631 -15.115 1.00 0.00 C ATOM 514 NE2 HIS A 392 3.000 14.862 -14.876 1.00 0.00 N ATOM 0 H HIS A 392 -2.304 15.922 -17.844 1.00 0.00 H new ATOM 0 HA HIS A 392 -1.377 13.659 -16.480 1.00 0.00 H new ATOM 0 HB2 HIS A 392 0.003 15.186 -17.829 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.253 16.479 -16.674 1.00 0.00 H new ATOM 0 HD2 HIS A 392 2.074 16.788 -15.429 1.00 0.00 H new ATOM 0 HE1 HIS A 392 3.083 12.734 -14.804 1.00 0.00 H new ATOM 0 HE2 HIS A 392 3.851 15.134 -14.384 1.00 0.00 H new ATOM 522 N PHE A 393 -2.357 16.061 -14.505 1.00 0.00 N ATOM 523 CA PHE A 393 -2.579 16.466 -13.117 1.00 0.00 C ATOM 524 C PHE A 393 -3.958 16.012 -12.614 1.00 0.00 C ATOM 525 O PHE A 393 -4.184 15.930 -11.407 1.00 0.00 O ATOM 526 CB PHE A 393 -2.461 17.987 -13.016 1.00 0.00 C ATOM 527 CG PHE A 393 -1.137 18.517 -13.530 1.00 0.00 C ATOM 528 CD1 PHE A 393 -0.042 18.652 -12.686 1.00 0.00 C ATOM 529 CD2 PHE A 393 -0.983 18.877 -14.864 1.00 0.00 C ATOM 530 CE1 PHE A 393 1.164 19.124 -13.170 1.00 0.00 C ATOM 531 CE2 PHE A 393 0.213 19.353 -15.348 1.00 0.00 C ATOM 532 CZ PHE A 393 1.282 19.474 -14.504 1.00 0.00 C ATOM 0 H PHE A 393 -2.749 16.703 -15.193 1.00 0.00 H new ATOM 0 HA PHE A 393 -1.825 15.989 -12.491 1.00 0.00 H new ATOM 0 HB2 PHE A 393 -3.273 18.446 -13.580 1.00 0.00 H new ATOM 0 HB3 PHE A 393 -2.586 18.287 -11.975 1.00 0.00 H new ATOM 0 HD1 PHE A 393 -0.133 18.386 -11.643 1.00 0.00 H new ATOM 0 HD2 PHE A 393 -1.823 18.781 -15.536 1.00 0.00 H new ATOM 0 HE1 PHE A 393 2.012 19.219 -12.509 1.00 0.00 H new ATOM 0 HE2 PHE A 393 0.307 19.629 -16.388 1.00 0.00 H new ATOM 0 HZ PHE A 393 2.224 19.845 -14.880 1.00 0.00 H new ATOM 542 N GLN A 394 -4.870 15.708 -13.537 1.00 0.00 N ATOM 543 CA GLN A 394 -6.238 15.314 -13.167 1.00 0.00 C ATOM 544 C GLN A 394 -6.261 13.927 -12.529 1.00 0.00 C ATOM 545 O GLN A 394 -7.166 13.610 -11.750 1.00 0.00 O ATOM 546 CB GLN A 394 -7.179 15.385 -14.396 1.00 0.00 C ATOM 547 CG GLN A 394 -7.095 14.195 -15.355 1.00 0.00 C ATOM 548 CD GLN A 394 -8.134 13.109 -15.086 1.00 0.00 C ATOM 549 OE1 GLN A 394 -7.904 12.175 -14.313 1.00 0.00 O ATOM 550 NE2 GLN A 394 -9.278 13.190 -15.751 1.00 0.00 N ATOM 0 H GLN A 394 -4.693 15.725 -14.541 1.00 0.00 H new ATOM 0 HA GLN A 394 -6.604 16.021 -12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -8.206 15.473 -14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -6.955 16.295 -14.952 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -7.216 14.555 -16.377 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.099 13.756 -15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -9.445 13.972 -16.385 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -9.991 12.471 -15.629 1.00 0.00 H new ATOM 559 N HIS A 395 -5.267 13.098 -12.853 1.00 0.00 N ATOM 560 CA HIS A 395 -5.195 11.736 -12.300 1.00 0.00 C ATOM 561 C HIS A 395 -3.898 11.498 -11.515 1.00 0.00 C ATOM 562 O HIS A 395 -3.767 10.474 -10.857 1.00 0.00 O ATOM 563 CB HIS A 395 -5.364 10.669 -13.393 1.00 0.00 C ATOM 564 CG HIS A 395 -4.669 10.956 -14.684 1.00 0.00 C ATOM 565 ND1 HIS A 395 -3.378 11.411 -14.775 1.00 0.00 N ATOM 566 CD2 HIS A 395 -5.097 10.812 -15.976 1.00 0.00 C ATOM 567 CE1 HIS A 395 -3.027 11.524 -16.037 1.00 0.00 C ATOM 568 NE2 HIS A 395 -4.045 11.170 -16.791 1.00 0.00 N ATOM 0 H HIS A 395 -4.506 13.338 -13.488 1.00 0.00 H new ATOM 0 HA HIS A 395 -6.027 11.644 -11.602 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -4.998 9.717 -13.007 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.428 10.544 -13.593 1.00 0.00 H new ATOM 0 HD1 HIS A 395 -2.778 11.630 -13.980 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -6.074 10.481 -16.296 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -2.063 11.853 -16.395 1.00 0.00 H new ATOM 577 N PHE A 396 -2.955 12.438 -11.580 1.00 0.00 N ATOM 578 CA PHE A 396 -1.721 12.324 -10.793 1.00 0.00 C ATOM 579 C PHE A 396 -1.406 13.640 -10.085 1.00 0.00 C ATOM 580 O PHE A 396 -1.488 14.716 -10.693 1.00 0.00 O ATOM 581 CB PHE A 396 -0.511 11.910 -11.662 1.00 0.00 C ATOM 582 CG PHE A 396 -0.585 10.496 -12.192 1.00 0.00 C ATOM 583 CD1 PHE A 396 -0.119 9.431 -11.440 1.00 0.00 C ATOM 584 CD2 PHE A 396 -1.136 10.223 -13.432 1.00 0.00 C ATOM 585 CE1 PHE A 396 -0.196 8.132 -11.919 1.00 0.00 C ATOM 586 CE2 PHE A 396 -1.227 8.934 -13.909 1.00 0.00 C ATOM 587 CZ PHE A 396 -0.752 7.883 -13.148 1.00 0.00 C ATOM 0 H PHE A 396 -3.017 13.275 -12.159 1.00 0.00 H new ATOM 0 HA PHE A 396 -1.894 11.542 -10.054 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -0.430 12.598 -12.504 1.00 0.00 H new ATOM 0 HB3 PHE A 396 0.400 12.018 -11.073 1.00 0.00 H new ATOM 0 HD1 PHE A 396 0.311 9.615 -10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -1.502 11.038 -14.039 1.00 0.00 H new ATOM 0 HE1 PHE A 396 0.183 7.315 -11.323 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -1.669 8.745 -14.876 1.00 0.00 H new ATOM 0 HZ PHE A 396 -0.818 6.871 -13.519 1.00 0.00 H new ATOM 597 N SER A 397 -1.081 13.549 -8.802 1.00 0.00 N ATOM 598 CA SER A 397 -0.727 14.695 -7.992 1.00 0.00 C ATOM 599 C SER A 397 0.790 14.967 -8.094 1.00 0.00 C ATOM 600 O SER A 397 1.585 14.045 -8.292 1.00 0.00 O ATOM 601 CB SER A 397 -1.134 14.444 -6.536 1.00 0.00 C ATOM 602 OG SER A 397 -0.678 13.186 -6.073 1.00 0.00 O ATOM 0 H SER A 397 -1.057 12.665 -8.294 1.00 0.00 H new ATOM 0 HA SER A 397 -1.259 15.573 -8.358 1.00 0.00 H new ATOM 0 HB2 SER A 397 -0.728 15.233 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 397 -2.219 14.492 -6.448 1.00 0.00 H new ATOM 0 HG SER A 397 -1.200 12.917 -5.289 1.00 0.00 H new ATOM 608 N HIS A 398 1.140 16.229 -7.958 1.00 0.00 N ATOM 609 CA HIS A 398 2.527 16.680 -8.141 1.00 0.00 C ATOM 610 C HIS A 398 3.023 17.447 -6.921 1.00 0.00 C ATOM 611 O HIS A 398 2.213 17.902 -6.111 1.00 0.00 O ATOM 612 CB HIS A 398 2.605 17.558 -9.390 1.00 0.00 C ATOM 613 CG HIS A 398 2.523 16.775 -10.643 1.00 0.00 C ATOM 614 ND1 HIS A 398 1.410 16.103 -11.056 1.00 0.00 N ATOM 615 CD2 HIS A 398 3.481 16.513 -11.555 1.00 0.00 C ATOM 616 CE1 HIS A 398 1.710 15.442 -12.181 1.00 0.00 C ATOM 617 NE2 HIS A 398 2.974 15.668 -12.528 1.00 0.00 N ATOM 0 H HIS A 398 0.486 16.975 -7.720 1.00 0.00 H new ATOM 0 HA HIS A 398 3.169 15.808 -8.263 1.00 0.00 H new ATOM 0 HB2 HIS A 398 1.795 18.287 -9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.539 18.119 -9.377 1.00 0.00 H new ATOM 0 HD1 HIS A 398 0.504 16.104 -10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 398 4.488 16.902 -11.530 1.00 0.00 H new ATOM 0 HE1 HIS A 398 1.023 14.814 -12.729 1.00 0.00 H new ATOM 625 N PRO A 399 4.351 17.590 -6.745 1.00 0.00 N ATOM 626 CA PRO A 399 4.917 18.392 -5.665 1.00 0.00 C ATOM 627 C PRO A 399 4.418 19.830 -5.754 1.00 0.00 C ATOM 628 O PRO A 399 4.981 20.639 -6.499 1.00 0.00 O ATOM 629 CB PRO A 399 6.447 18.304 -5.885 1.00 0.00 C ATOM 630 CG PRO A 399 6.581 17.858 -7.304 1.00 0.00 C ATOM 631 CD PRO A 399 5.407 16.966 -7.575 1.00 0.00 C ATOM 0 HA PRO A 399 4.630 18.038 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 399 6.930 19.267 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 399 6.909 17.595 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 399 6.586 18.712 -7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 399 7.519 17.324 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 399 5.141 16.951 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 399 5.601 15.935 -7.281 1.00 0.00 H new ATOM 639 N GLY A 400 3.340 20.106 -5.046 1.00 0.00 N ATOM 640 CA GLY A 400 2.692 21.405 -5.097 1.00 0.00 C ATOM 641 C GLY A 400 1.181 21.270 -5.174 1.00 0.00 C ATOM 642 O GLY A 400 0.438 22.195 -4.819 1.00 0.00 O ATOM 0 H GLY A 400 2.889 19.439 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.962 21.983 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.054 21.960 -5.963 1.00 0.00 H new ATOM 646 N ASP A 401 0.726 20.116 -5.662 1.00 0.00 N ATOM 647 CA ASP A 401 -0.693 19.769 -5.708 1.00 0.00 C ATOM 648 C ASP A 401 -1.154 19.360 -4.317 1.00 0.00 C ATOM 649 O ASP A 401 -0.462 18.592 -3.635 1.00 0.00 O ATOM 650 CB ASP A 401 -0.903 18.622 -6.713 1.00 0.00 C ATOM 651 CG ASP A 401 -2.364 18.167 -6.812 1.00 0.00 C ATOM 652 OD1 ASP A 401 -3.112 18.699 -7.645 1.00 0.00 O ATOM 653 OD2 ASP A 401 -2.744 17.246 -6.076 1.00 0.00 O ATOM 0 H ASP A 401 1.337 19.391 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 401 -1.281 20.628 -6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -0.561 18.943 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -0.284 17.774 -6.421 1.00 0.00 H new ATOM 658 N SER A 402 -2.294 19.887 -3.887 1.00 0.00 N ATOM 659 CA SER A 402 -2.768 19.704 -2.507 1.00 0.00 C ATOM 660 C SER A 402 -3.060 18.230 -2.174 1.00 0.00 C ATOM 661 O SER A 402 -3.205 17.869 -1.004 1.00 0.00 O ATOM 662 CB SER A 402 -4.027 20.567 -2.250 1.00 0.00 C ATOM 663 OG SER A 402 -4.445 20.489 -0.901 1.00 0.00 O ATOM 0 H SER A 402 -2.914 20.448 -4.471 1.00 0.00 H new ATOM 0 HA SER A 402 -1.962 20.030 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 402 -3.816 21.605 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 402 -4.835 20.236 -2.902 1.00 0.00 H new ATOM 0 HG SER A 402 -4.162 19.632 -0.520 1.00 0.00 H new ATOM 669 N ASP A 403 -3.129 17.391 -3.200 1.00 0.00 N ATOM 670 CA ASP A 403 -3.449 15.965 -3.028 1.00 0.00 C ATOM 671 C ASP A 403 -2.211 15.092 -3.202 1.00 0.00 C ATOM 672 O ASP A 403 -2.316 13.873 -3.319 1.00 0.00 O ATOM 673 CB ASP A 403 -4.550 15.536 -4.003 1.00 0.00 C ATOM 674 CG ASP A 403 -5.913 16.140 -3.676 1.00 0.00 C ATOM 675 OD1 ASP A 403 -6.136 17.334 -3.966 1.00 0.00 O ATOM 676 OD2 ASP A 403 -6.769 15.427 -3.114 1.00 0.00 O ATOM 0 H ASP A 403 -2.968 17.668 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 403 -3.814 15.828 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -4.264 15.827 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -4.630 14.449 -3.995 1.00 0.00 H new ATOM 681 N TYR A 404 -1.037 15.712 -3.218 1.00 0.00 N ATOM 682 CA TYR A 404 0.203 14.974 -3.389 1.00 0.00 C ATOM 683 C TYR A 404 0.548 14.199 -2.119 1.00 0.00 C ATOM 684 O TYR A 404 0.859 14.801 -1.079 1.00 0.00 O ATOM 685 CB TYR A 404 1.348 15.926 -3.771 1.00 0.00 C ATOM 686 CG TYR A 404 2.626 15.222 -4.193 1.00 0.00 C ATOM 687 CD1 TYR A 404 2.622 14.385 -5.305 1.00 0.00 C ATOM 688 CD2 TYR A 404 3.819 15.406 -3.515 1.00 0.00 C ATOM 689 CE1 TYR A 404 3.777 13.747 -5.722 1.00 0.00 C ATOM 690 CE2 TYR A 404 4.982 14.776 -3.929 1.00 0.00 C ATOM 691 CZ TYR A 404 4.948 13.948 -5.037 1.00 0.00 C ATOM 692 OH TYR A 404 6.096 13.297 -5.445 1.00 0.00 O ATOM 0 H TYR A 404 -0.920 16.720 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 404 0.067 14.258 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.015 16.569 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 404 1.566 16.574 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 404 1.703 14.231 -5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 404 3.844 16.051 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 404 3.756 13.094 -6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 404 5.906 14.930 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 404 6.840 13.546 -4.857 1.00 0.00 H new ATOM 849 N ASP A 416 11.495 -1.305 -2.033 1.00 0.00 N ATOM 850 CA ASP A 416 11.096 -1.517 -0.642 1.00 0.00 C ATOM 851 C ASP A 416 12.333 -1.883 0.179 1.00 0.00 C ATOM 852 O ASP A 416 12.626 -1.258 1.195 1.00 0.00 O ATOM 853 CB ASP A 416 10.025 -2.623 -0.546 1.00 0.00 C ATOM 854 CG ASP A 416 9.534 -2.853 0.882 1.00 0.00 C ATOM 855 OD1 ASP A 416 8.842 -1.980 1.426 1.00 0.00 O ATOM 856 OD2 ASP A 416 9.813 -3.939 1.452 1.00 0.00 O ATOM 0 HA ASP A 416 10.659 -0.601 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 416 9.178 -2.357 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 416 10.435 -3.554 -0.938 1.00 0.00 H new ATOM 861 N ASP A 417 13.051 -2.899 -0.301 1.00 0.00 N ATOM 862 CA ASP A 417 14.335 -3.290 0.301 1.00 0.00 C ATOM 863 C ASP A 417 15.374 -3.559 -0.786 1.00 0.00 C ATOM 864 O ASP A 417 16.569 -3.326 -0.598 1.00 0.00 O ATOM 865 CB ASP A 417 14.146 -4.549 1.169 1.00 0.00 C ATOM 866 CG ASP A 417 13.714 -5.774 0.373 1.00 0.00 C ATOM 867 OD1 ASP A 417 12.844 -5.641 -0.508 1.00 0.00 O ATOM 868 OD2 ASP A 417 14.242 -6.874 0.619 1.00 0.00 O ATOM 0 H ASP A 417 12.771 -3.466 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 417 14.690 -2.472 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 417 15.081 -4.770 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 417 13.401 -4.343 1.937 1.00 0.00 H new ATOM 873 N ARG A 418 14.904 -4.053 -1.909 1.00 0.00 N ATOM 874 CA ARG A 418 15.759 -4.378 -3.066 1.00 0.00 C ATOM 875 C ARG A 418 14.979 -4.109 -4.368 1.00 0.00 C ATOM 876 O ARG A 418 13.805 -3.776 -4.301 1.00 0.00 O ATOM 877 CB ARG A 418 16.186 -5.848 -2.974 1.00 0.00 C ATOM 878 CG ARG A 418 15.024 -6.772 -2.686 1.00 0.00 C ATOM 879 CD ARG A 418 15.492 -8.198 -2.420 1.00 0.00 C ATOM 880 NE ARG A 418 14.508 -8.909 -1.606 1.00 0.00 N ATOM 881 CZ ARG A 418 14.548 -10.224 -1.344 1.00 0.00 C ATOM 882 NH1 ARG A 418 15.530 -10.984 -1.803 1.00 0.00 N ATOM 883 NH2 ARG A 418 13.591 -10.765 -0.587 1.00 0.00 N ATOM 0 H ARG A 418 13.915 -4.248 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 418 16.653 -3.754 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 418 16.659 -6.145 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 418 16.935 -5.957 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 418 14.471 -6.403 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 418 14.336 -6.766 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 418 15.640 -8.722 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 418 16.455 -8.183 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 418 13.739 -8.369 -1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 418 16.273 -10.571 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 418 15.543 -11.982 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 418 12.842 -10.180 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 418 13.608 -11.764 -0.379 1.00 0.00 H new ATOM 897 N PRO A 419 15.641 -4.198 -5.541 1.00 0.00 N ATOM 898 CA PRO A 419 14.936 -4.055 -6.824 1.00 0.00 C ATOM 899 C PRO A 419 13.876 -5.154 -7.016 1.00 0.00 C ATOM 900 O PRO A 419 14.110 -6.297 -6.620 1.00 0.00 O ATOM 901 CB PRO A 419 16.038 -4.181 -7.873 1.00 0.00 C ATOM 902 CG PRO A 419 17.175 -4.854 -7.174 1.00 0.00 C ATOM 903 CD PRO A 419 17.092 -4.397 -5.734 1.00 0.00 C ATOM 0 HA PRO A 419 14.395 -3.111 -6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 419 15.701 -4.766 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 419 16.333 -3.203 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 419 17.094 -5.939 -7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 419 18.130 -4.575 -7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 419 17.493 -5.143 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 419 17.653 -3.477 -5.568 1.00 0.00 H new ATOM 911 N GLU A 420 12.730 -4.796 -7.569 1.00 0.00 N ATOM 912 CA GLU A 420 11.664 -5.753 -7.826 1.00 0.00 C ATOM 913 C GLU A 420 12.022 -6.636 -9.013 1.00 0.00 C ATOM 914 O GLU A 420 12.894 -6.299 -9.811 1.00 0.00 O ATOM 915 CB GLU A 420 10.343 -5.003 -8.081 1.00 0.00 C ATOM 916 CG GLU A 420 9.112 -5.666 -7.470 1.00 0.00 C ATOM 917 CD GLU A 420 8.287 -6.455 -8.465 1.00 0.00 C ATOM 918 OE1 GLU A 420 7.409 -5.854 -9.122 1.00 0.00 O ATOM 919 OE2 GLU A 420 8.492 -7.680 -8.581 1.00 0.00 O ATOM 0 H GLU A 420 12.511 -3.841 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 420 11.539 -6.394 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 420 10.431 -3.992 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 420 10.194 -4.910 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 420 9.430 -6.331 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 420 8.484 -4.898 -7.018 1.00 0.00 H new ATOM 926 N CYS A 421 11.377 -7.769 -9.109 1.00 0.00 N ATOM 927 CA CYS A 421 11.647 -8.725 -10.175 1.00 0.00 C ATOM 928 C CYS A 421 11.291 -8.074 -11.515 1.00 0.00 C ATOM 929 O CYS A 421 10.261 -7.435 -11.642 1.00 0.00 O ATOM 930 CB CYS A 421 10.830 -9.986 -9.942 1.00 0.00 C ATOM 931 SG CYS A 421 11.566 -11.505 -10.635 1.00 0.00 S ATOM 0 H CYS A 421 10.650 -8.064 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 421 12.701 -9.003 -10.186 1.00 0.00 H new ATOM 0 HB2 CYS A 421 10.692 -10.121 -8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 421 9.840 -9.847 -10.376 1.00 0.00 H new ATOM 0 HG CYS A 421 12.103 -12.202 -9.678 1.00 0.00 H new ATOM 936 N PRO A 422 12.160 -8.221 -12.535 1.00 0.00 N ATOM 937 CA PRO A 422 11.952 -7.586 -13.853 1.00 0.00 C ATOM 938 C PRO A 422 10.716 -8.136 -14.593 1.00 0.00 C ATOM 939 O PRO A 422 10.381 -7.668 -15.683 1.00 0.00 O ATOM 940 CB PRO A 422 13.244 -7.907 -14.620 1.00 0.00 C ATOM 941 CG PRO A 422 13.804 -9.115 -13.934 1.00 0.00 C ATOM 942 CD PRO A 422 13.417 -9.009 -12.480 1.00 0.00 C ATOM 0 HA PRO A 422 11.759 -6.517 -13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 422 13.040 -8.108 -15.672 1.00 0.00 H new ATOM 0 HB3 PRO A 422 13.943 -7.072 -14.584 1.00 0.00 H new ATOM 0 HG2 PRO A 422 13.406 -10.029 -14.374 1.00 0.00 H new ATOM 0 HG3 PRO A 422 14.888 -9.154 -14.044 1.00 0.00 H new ATOM 0 HD2 PRO A 422 13.261 -9.989 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 422 14.185 -8.506 -11.892 1.00 0.00 H new ATOM 950 N TYR A 423 10.061 -9.118 -13.992 1.00 0.00 N ATOM 951 CA TYR A 423 8.850 -9.689 -14.564 1.00 0.00 C ATOM 952 C TYR A 423 7.705 -9.642 -13.533 1.00 0.00 C ATOM 953 O TYR A 423 6.683 -10.303 -13.699 1.00 0.00 O ATOM 954 CB TYR A 423 9.095 -11.149 -15.001 1.00 0.00 C ATOM 955 CG TYR A 423 10.286 -11.330 -15.929 1.00 0.00 C ATOM 956 CD1 TYR A 423 10.186 -11.063 -17.289 1.00 0.00 C ATOM 957 CD2 TYR A 423 11.509 -11.762 -15.445 1.00 0.00 C ATOM 958 CE1 TYR A 423 11.276 -11.238 -18.122 1.00 0.00 C ATOM 959 CE2 TYR A 423 12.600 -11.930 -16.266 1.00 0.00 C ATOM 960 CZ TYR A 423 12.478 -11.669 -17.614 1.00 0.00 C ATOM 961 OH TYR A 423 13.559 -11.852 -18.439 1.00 0.00 O ATOM 0 H TYR A 423 10.348 -9.537 -13.107 1.00 0.00 H new ATOM 0 HA TYR A 423 8.572 -9.101 -15.439 1.00 0.00 H new ATOM 0 HB2 TYR A 423 9.244 -11.762 -14.112 1.00 0.00 H new ATOM 0 HB3 TYR A 423 8.200 -11.522 -15.499 1.00 0.00 H new ATOM 0 HD1 TYR A 423 9.249 -10.716 -17.699 1.00 0.00 H new ATOM 0 HD2 TYR A 423 11.610 -11.974 -14.391 1.00 0.00 H new ATOM 0 HE1 TYR A 423 11.182 -11.035 -19.179 1.00 0.00 H new ATOM 0 HE2 TYR A 423 13.543 -12.263 -15.858 1.00 0.00 H new ATOM 0 HH TYR A 423 14.326 -12.158 -17.911 1.00 0.00 H new ATOM 971 N GLY A 424 7.910 -8.842 -12.478 1.00 0.00 N ATOM 972 CA GLY A 424 6.919 -8.700 -11.430 1.00 0.00 C ATOM 973 C GLY A 424 6.681 -9.995 -10.664 1.00 0.00 C ATOM 974 O GLY A 424 7.528 -10.882 -10.676 1.00 0.00 O ATOM 0 H GLY A 424 8.755 -8.289 -12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 424 7.241 -7.925 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 424 5.979 -8.364 -11.868 1.00 0.00 H new ATOM 978 N PRO A 425 5.527 -10.105 -9.977 1.00 0.00 N ATOM 979 CA PRO A 425 5.168 -11.335 -9.244 1.00 0.00 C ATOM 980 C PRO A 425 4.867 -12.497 -10.193 1.00 0.00 C ATOM 981 O PRO A 425 4.806 -13.654 -9.785 1.00 0.00 O ATOM 982 CB PRO A 425 3.906 -10.915 -8.458 1.00 0.00 C ATOM 983 CG PRO A 425 3.328 -9.800 -9.268 1.00 0.00 C ATOM 984 CD PRO A 425 4.501 -9.065 -9.851 1.00 0.00 C ATOM 0 HA PRO A 425 5.975 -11.697 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 425 3.203 -11.743 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 425 4.155 -10.587 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 425 2.678 -10.184 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 425 2.722 -9.140 -8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 425 4.258 -8.622 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 425 4.829 -8.253 -9.202 1.00 0.00 H new ATOM 992 N SER A 426 4.675 -12.169 -11.479 1.00 0.00 N ATOM 993 CA SER A 426 4.468 -13.173 -12.505 1.00 0.00 C ATOM 994 C SER A 426 5.779 -13.926 -12.752 1.00 0.00 C ATOM 995 O SER A 426 5.770 -15.014 -13.340 1.00 0.00 O ATOM 996 CB SER A 426 3.979 -12.496 -13.808 1.00 0.00 C ATOM 997 OG SER A 426 3.712 -13.454 -14.816 1.00 0.00 O ATOM 0 H SER A 426 4.661 -11.209 -11.823 1.00 0.00 H new ATOM 0 HA SER A 426 3.709 -13.883 -12.176 1.00 0.00 H new ATOM 0 HB2 SER A 426 3.077 -11.918 -13.604 1.00 0.00 H new ATOM 0 HB3 SER A 426 4.734 -11.794 -14.161 1.00 0.00 H new ATOM 0 HG SER A 426 3.403 -12.998 -15.627 1.00 0.00 H new ATOM 1003 N CYS A 427 6.898 -13.341 -12.318 1.00 0.00 N ATOM 1004 CA CYS A 427 8.190 -13.975 -12.425 1.00 0.00 C ATOM 1005 C CYS A 427 8.176 -15.328 -11.709 1.00 0.00 C ATOM 1006 O CYS A 427 8.007 -15.378 -10.502 1.00 0.00 O ATOM 1007 CB CYS A 427 9.267 -13.068 -11.826 1.00 0.00 C ATOM 1008 SG CYS A 427 10.925 -13.813 -11.636 1.00 0.00 S ATOM 0 H CYS A 427 6.922 -12.417 -11.886 1.00 0.00 H new ATOM 0 HA CYS A 427 8.416 -14.142 -13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 427 9.358 -12.182 -12.454 1.00 0.00 H new ATOM 0 HB3 CYS A 427 8.927 -12.731 -10.847 1.00 0.00 H new ATOM 0 HG CYS A 427 11.754 -12.919 -11.185 1.00 0.00 H new ATOM 1013 N TYR A 428 8.347 -16.395 -12.462 1.00 0.00 N ATOM 1014 CA TYR A 428 8.479 -17.733 -11.911 1.00 0.00 C ATOM 1015 C TYR A 428 9.871 -18.264 -12.203 1.00 0.00 C ATOM 1016 O TYR A 428 10.100 -19.481 -12.261 1.00 0.00 O ATOM 1017 CB TYR A 428 7.386 -18.649 -12.483 1.00 0.00 C ATOM 1018 CG TYR A 428 7.343 -18.718 -14.001 1.00 0.00 C ATOM 1019 CD1 TYR A 428 6.657 -17.734 -14.740 1.00 0.00 C ATOM 1020 CD2 TYR A 428 7.964 -19.733 -14.710 1.00 0.00 C ATOM 1021 CE1 TYR A 428 6.616 -17.781 -16.114 1.00 0.00 C ATOM 1022 CE2 TYR A 428 7.926 -19.793 -16.090 1.00 0.00 C ATOM 1023 CZ TYR A 428 7.247 -18.805 -16.787 1.00 0.00 C ATOM 1024 OH TYR A 428 7.190 -18.867 -18.145 1.00 0.00 O ATOM 0 H TYR A 428 8.399 -16.361 -13.480 1.00 0.00 H new ATOM 0 HA TYR A 428 8.348 -17.704 -10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 428 7.533 -19.656 -12.091 1.00 0.00 H new ATOM 0 HB3 TYR A 428 6.417 -18.305 -12.121 1.00 0.00 H new ATOM 0 HD1 TYR A 428 6.156 -16.931 -14.220 1.00 0.00 H new ATOM 0 HD2 TYR A 428 8.494 -20.501 -14.167 1.00 0.00 H new ATOM 0 HE1 TYR A 428 6.090 -17.016 -16.665 1.00 0.00 H new ATOM 0 HE2 TYR A 428 8.418 -20.597 -16.618 1.00 0.00 H new ATOM 0 HH TYR A 428 7.689 -19.650 -18.458 1.00 0.00 H new ATOM 1034 N ARG A 429 10.819 -17.345 -12.389 1.00 0.00 N ATOM 1035 CA ARG A 429 12.212 -17.694 -12.565 1.00 0.00 C ATOM 1036 C ARG A 429 12.702 -18.450 -11.327 1.00 0.00 C ATOM 1037 O ARG A 429 12.992 -17.848 -10.287 1.00 0.00 O ATOM 1038 CB ARG A 429 13.067 -16.429 -12.776 1.00 0.00 C ATOM 1039 CG ARG A 429 12.667 -15.613 -14.012 1.00 0.00 C ATOM 1040 CD ARG A 429 13.058 -16.287 -15.321 1.00 0.00 C ATOM 1041 NE ARG A 429 12.250 -17.489 -15.610 1.00 0.00 N ATOM 1042 CZ ARG A 429 11.590 -17.687 -16.739 1.00 0.00 C ATOM 1043 NH1 ARG A 429 11.615 -16.783 -17.707 1.00 0.00 N ATOM 1044 NH2 ARG A 429 10.903 -18.811 -16.913 1.00 0.00 N ATOM 0 H ARG A 429 10.634 -16.342 -12.420 1.00 0.00 H new ATOM 0 HA ARG A 429 12.310 -18.326 -13.448 1.00 0.00 H new ATOM 0 HB2 ARG A 429 12.987 -15.796 -11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 429 14.114 -16.720 -12.867 1.00 0.00 H new ATOM 0 HG2 ARG A 429 11.589 -15.451 -14.001 1.00 0.00 H new ATOM 0 HG3 ARG A 429 13.137 -14.631 -13.960 1.00 0.00 H new ATOM 0 HD2 ARG A 429 12.946 -15.575 -16.138 1.00 0.00 H new ATOM 0 HD3 ARG A 429 14.111 -16.564 -15.281 1.00 0.00 H new ATOM 0 HE ARG A 429 12.198 -18.213 -14.893 1.00 0.00 H new ATOM 0 HH11 ARG A 429 12.148 -15.922 -17.587 1.00 0.00 H new ATOM 0 HH12 ARG A 429 11.102 -16.948 -18.573 1.00 0.00 H new ATOM 0 HH21 ARG A 429 10.886 -19.517 -16.177 1.00 0.00 H new ATOM 0 HH22 ARG A 429 10.393 -18.967 -17.782 1.00 0.00 H new ATOM 1058 N LYS A 430 12.748 -19.768 -11.424 1.00 0.00 N ATOM 1059 CA LYS A 430 13.134 -20.600 -10.293 1.00 0.00 C ATOM 1060 C LYS A 430 14.647 -20.626 -10.149 1.00 0.00 C ATOM 1061 O LYS A 430 15.360 -21.352 -10.847 1.00 0.00 O ATOM 1062 CB LYS A 430 12.574 -22.013 -10.460 1.00 0.00 C ATOM 1063 CG LYS A 430 12.873 -22.942 -9.281 1.00 0.00 C ATOM 1064 CD LYS A 430 12.060 -24.242 -9.335 1.00 0.00 C ATOM 1065 CE LYS A 430 12.326 -25.024 -10.619 1.00 0.00 C ATOM 1066 NZ LYS A 430 11.634 -26.331 -10.627 1.00 0.00 N ATOM 0 H LYS A 430 12.523 -20.286 -12.273 1.00 0.00 H new ATOM 0 HA LYS A 430 12.715 -20.174 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 430 11.494 -21.952 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 430 12.986 -22.451 -11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 430 13.936 -23.182 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 430 12.657 -22.421 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 430 12.308 -24.862 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 430 10.997 -24.009 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 430 11.998 -24.435 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 430 13.399 -25.181 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 11.842 -26.828 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 11.965 -26.904 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 10.608 -26.181 -10.546 1.00 0.00 H new ATOM 1080 N ASN A 431 15.128 -19.761 -9.261 1.00 0.00 N ATOM 1081 CA ASN A 431 16.542 -19.662 -8.920 1.00 0.00 C ATOM 1082 C ASN A 431 16.677 -18.961 -7.574 1.00 0.00 C ATOM 1083 O ASN A 431 16.143 -17.865 -7.404 1.00 0.00 O ATOM 1084 CB ASN A 431 17.297 -18.841 -9.970 1.00 0.00 C ATOM 1085 CG ASN A 431 18.802 -18.839 -9.759 1.00 0.00 C ATOM 1086 OD1 ASN A 431 19.409 -19.881 -9.502 1.00 0.00 O ATOM 1087 ND2 ASN A 431 19.433 -17.660 -9.800 1.00 0.00 N ATOM 0 H ASN A 431 14.539 -19.102 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 431 16.963 -20.667 -8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 431 17.076 -19.239 -10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 431 16.932 -17.814 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 431 20.435 -17.611 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 431 18.912 -16.810 -10.015 1.00 0.00 H new ATOM 1094 N PRO A 432 17.369 -19.582 -6.621 1.00 0.00 N ATOM 1095 CA PRO A 432 17.507 -19.023 -5.271 1.00 0.00 C ATOM 1096 C PRO A 432 18.177 -17.650 -5.286 1.00 0.00 C ATOM 1097 O PRO A 432 17.709 -16.725 -4.610 1.00 0.00 O ATOM 1098 CB PRO A 432 18.355 -20.051 -4.519 1.00 0.00 C ATOM 1099 CG PRO A 432 19.026 -20.856 -5.586 1.00 0.00 C ATOM 1100 CD PRO A 432 18.081 -20.866 -6.748 1.00 0.00 C ATOM 0 HA PRO A 432 16.539 -18.857 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 432 19.086 -19.563 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 432 17.736 -20.681 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 432 19.983 -20.415 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 432 19.231 -21.869 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 432 18.612 -20.939 -7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 432 17.395 -21.712 -6.701 1.00 0.00 H new ATOM 1108 N GLN A 433 19.221 -17.507 -6.097 1.00 0.00 N ATOM 1109 CA GLN A 433 19.970 -16.254 -6.155 1.00 0.00 C ATOM 1110 C GLN A 433 19.074 -15.137 -6.686 1.00 0.00 C ATOM 1111 O GLN A 433 19.114 -14.003 -6.202 1.00 0.00 O ATOM 1112 CB GLN A 433 21.214 -16.416 -7.028 1.00 0.00 C ATOM 1113 CG GLN A 433 22.073 -15.146 -7.132 1.00 0.00 C ATOM 1114 CD GLN A 433 22.589 -14.677 -5.782 1.00 0.00 C ATOM 1115 OE1 GLN A 433 23.651 -15.082 -5.336 1.00 0.00 O ATOM 1116 NE2 GLN A 433 21.835 -13.790 -5.135 1.00 0.00 N ATOM 0 H GLN A 433 19.567 -18.237 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 433 20.296 -15.988 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 433 21.825 -17.224 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 433 20.906 -16.717 -8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 433 22.918 -15.337 -7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 433 21.484 -14.350 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 433 20.954 -13.477 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 433 22.139 -13.424 -4.233 1.00 0.00 H new ATOM 1125 N HIS A 434 18.221 -15.482 -7.647 1.00 0.00 N ATOM 1126 CA HIS A 434 17.299 -14.522 -8.236 1.00 0.00 C ATOM 1127 C HIS A 434 16.389 -13.943 -7.158 1.00 0.00 C ATOM 1128 O HIS A 434 16.277 -12.720 -6.993 1.00 0.00 O ATOM 1129 CB HIS A 434 16.453 -15.197 -9.333 1.00 0.00 C ATOM 1130 CG HIS A 434 15.295 -14.359 -9.753 1.00 0.00 C ATOM 1131 ND1 HIS A 434 15.424 -13.087 -10.244 1.00 0.00 N ATOM 1132 CD2 HIS A 434 13.962 -14.604 -9.690 1.00 0.00 C ATOM 1133 CE1 HIS A 434 14.203 -12.598 -10.453 1.00 0.00 C ATOM 1134 NE2 HIS A 434 13.271 -13.480 -10.133 1.00 0.00 N ATOM 0 H HIS A 434 18.151 -16.423 -8.034 1.00 0.00 H new ATOM 0 HA HIS A 434 17.876 -13.714 -8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 434 17.083 -15.402 -10.199 1.00 0.00 H new ATOM 0 HB3 HIS A 434 16.090 -16.158 -8.968 1.00 0.00 H new ATOM 0 HD1 HIS A 434 16.302 -12.599 -10.419 1.00 0.00 H new ATOM 0 HD2 HIS A 434 13.510 -15.524 -9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 434 14.000 -11.608 -10.835 1.00 0.00 H new ATOM 1142 N LYS A 435 15.737 -14.839 -6.432 1.00 0.00 N ATOM 1143 CA LYS A 435 14.852 -14.498 -5.326 1.00 0.00 C ATOM 1144 C LYS A 435 15.608 -13.804 -4.190 1.00 0.00 C ATOM 1145 O LYS A 435 14.995 -13.170 -3.330 1.00 0.00 O ATOM 1146 CB LYS A 435 14.180 -15.782 -4.821 1.00 0.00 C ATOM 1147 CG LYS A 435 13.367 -16.479 -5.904 1.00 0.00 C ATOM 1148 CD LYS A 435 13.051 -17.933 -5.529 1.00 0.00 C ATOM 1149 CE LYS A 435 12.213 -18.019 -4.253 1.00 0.00 C ATOM 1150 NZ LYS A 435 10.874 -17.389 -4.413 1.00 0.00 N ATOM 0 H LYS A 435 15.809 -15.843 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 435 14.098 -13.796 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 435 14.943 -16.465 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.529 -15.541 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 435 12.437 -15.935 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 435 13.919 -16.457 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 435 12.516 -18.412 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 435 13.982 -18.484 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 435 12.089 -19.065 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 435 12.746 -17.531 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 10.294 -17.589 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 10.985 -16.360 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 10.407 -17.777 -5.257 1.00 0.00 H new ATOM 1164 N ILE A 436 16.932 -13.892 -4.197 1.00 0.00 N ATOM 1165 CA ILE A 436 17.755 -13.211 -3.203 1.00 0.00 C ATOM 1166 C ILE A 436 17.984 -11.758 -3.584 1.00 0.00 C ATOM 1167 O ILE A 436 17.984 -10.866 -2.732 1.00 0.00 O ATOM 1168 CB ILE A 436 19.133 -13.921 -3.044 1.00 0.00 C ATOM 1169 CG1 ILE A 436 18.956 -15.297 -2.378 1.00 0.00 C ATOM 1170 CG2 ILE A 436 20.132 -13.067 -2.273 1.00 0.00 C ATOM 1171 CD1 ILE A 436 20.212 -16.135 -2.363 1.00 0.00 C ATOM 0 H ILE A 436 17.462 -14.430 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 436 17.217 -13.250 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 436 19.543 -14.067 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 436 18.615 -15.152 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 436 18.172 -15.845 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 436 21.078 -13.602 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 436 20.293 -12.128 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 436 19.741 -12.859 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 436 20.007 -17.089 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 436 20.543 -16.312 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 436 20.994 -15.609 -1.814 1.00 0.00 H new ATOM 1183 N GLU A 437 18.145 -11.529 -4.872 1.00 0.00 N ATOM 1184 CA GLU A 437 18.466 -10.194 -5.375 1.00 0.00 C ATOM 1185 C GLU A 437 17.207 -9.332 -5.522 1.00 0.00 C ATOM 1186 O GLU A 437 17.195 -8.167 -5.146 1.00 0.00 O ATOM 1187 CB GLU A 437 19.159 -10.293 -6.741 1.00 0.00 C ATOM 1188 CG GLU A 437 20.326 -11.264 -6.771 1.00 0.00 C ATOM 1189 CD GLU A 437 21.097 -11.221 -8.071 1.00 0.00 C ATOM 1190 OE1 GLU A 437 21.906 -10.292 -8.275 1.00 0.00 O ATOM 1191 OE2 GLU A 437 20.910 -12.131 -8.920 1.00 0.00 O ATOM 0 H GLU A 437 18.060 -12.244 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 437 19.132 -9.725 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 437 18.426 -10.598 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 437 19.515 -9.304 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 437 21.002 -11.037 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 437 19.954 -12.276 -6.609 1.00 0.00 H new ATOM 1198 N TYR A 438 16.170 -9.938 -6.077 1.00 0.00 N ATOM 1199 CA TYR A 438 14.949 -9.207 -6.453 1.00 0.00 C ATOM 1200 C TYR A 438 13.777 -9.598 -5.580 1.00 0.00 C ATOM 1201 O TYR A 438 13.660 -10.739 -5.141 1.00 0.00 O ATOM 1202 CB TYR A 438 14.625 -9.462 -7.943 1.00 0.00 C ATOM 1203 CG TYR A 438 15.661 -8.922 -8.923 1.00 0.00 C ATOM 1204 CD1 TYR A 438 16.752 -9.701 -9.307 1.00 0.00 C ATOM 1205 CD2 TYR A 438 15.553 -7.645 -9.455 1.00 0.00 C ATOM 1206 CE1 TYR A 438 17.698 -9.217 -10.187 1.00 0.00 C ATOM 1207 CE2 TYR A 438 16.496 -7.151 -10.337 1.00 0.00 C ATOM 1208 CZ TYR A 438 17.563 -7.942 -10.699 1.00 0.00 C ATOM 1209 OH TYR A 438 18.523 -7.446 -11.570 1.00 0.00 O ATOM 0 H TYR A 438 16.140 -10.937 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 438 15.128 -8.143 -6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 438 14.522 -10.536 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 438 13.659 -9.012 -8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 438 16.858 -10.699 -8.909 1.00 0.00 H new ATOM 0 HD2 TYR A 438 14.715 -7.024 -9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 438 18.539 -9.832 -10.473 1.00 0.00 H new ATOM 0 HE2 TYR A 438 16.396 -6.153 -10.738 1.00 0.00 H new ATOM 0 HH TYR A 438 18.281 -6.536 -11.840 1.00 0.00 H new ATOM 1219 N ARG A 439 12.893 -8.629 -5.336 1.00 0.00 N ATOM 1220 CA ARG A 439 11.649 -8.863 -4.617 1.00 0.00 C ATOM 1221 C ARG A 439 10.523 -9.151 -5.601 1.00 0.00 C ATOM 1222 O ARG A 439 10.476 -8.563 -6.666 1.00 0.00 O ATOM 1223 CB ARG A 439 11.266 -7.651 -3.735 1.00 0.00 C ATOM 1224 CG ARG A 439 11.668 -6.306 -4.321 1.00 0.00 C ATOM 1225 CD ARG A 439 11.442 -5.166 -3.349 1.00 0.00 C ATOM 1226 NE ARG A 439 10.039 -4.699 -3.322 1.00 0.00 N ATOM 1227 CZ ARG A 439 9.655 -3.532 -3.834 1.00 0.00 C ATOM 1228 NH1 ARG A 439 10.475 -2.796 -4.574 1.00 0.00 N ATOM 1229 NH2 ARG A 439 8.399 -3.101 -3.647 1.00 0.00 N ATOM 0 H ARG A 439 13.023 -7.662 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 439 11.800 -9.725 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 439 10.188 -7.658 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 439 11.734 -7.764 -2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 439 12.720 -6.335 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 439 11.097 -6.123 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 439 11.732 -5.486 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 439 12.091 -4.333 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 439 9.334 -5.298 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 439 11.423 -3.121 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 439 10.157 -1.905 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 439 7.740 -3.667 -3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 439 8.103 -2.207 -4.039 1.00 0.00 H new ATOM 1243 N HIS A 440 9.659 -10.073 -5.237 1.00 0.00 N ATOM 1244 CA HIS A 440 8.484 -10.377 -6.048 1.00 0.00 C ATOM 1245 C HIS A 440 7.237 -9.858 -5.347 1.00 0.00 C ATOM 1246 O HIS A 440 6.665 -10.558 -4.504 1.00 0.00 O ATOM 1247 CB HIS A 440 8.375 -11.880 -6.312 1.00 0.00 C ATOM 1248 CG HIS A 440 9.552 -12.441 -7.043 1.00 0.00 C ATOM 1249 ND1 HIS A 440 10.712 -12.884 -6.440 1.00 0.00 N ATOM 1250 CD2 HIS A 440 9.755 -12.597 -8.379 1.00 0.00 C ATOM 1251 CE1 HIS A 440 11.559 -13.286 -7.381 1.00 0.00 C ATOM 1252 NE2 HIS A 440 11.029 -13.131 -8.593 1.00 0.00 N ATOM 0 H HIS A 440 9.741 -10.629 -4.386 1.00 0.00 H new ATOM 0 HA HIS A 440 8.582 -9.881 -7.014 1.00 0.00 H new ATOM 0 HB2 HIS A 440 8.265 -12.401 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 440 7.471 -12.075 -6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 440 9.044 -12.348 -9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 440 12.544 -13.685 -7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 440 11.462 -13.355 -9.489 1.00 0.00 H new ATOM 1260 N ASN A 441 6.832 -8.634 -5.672 1.00 0.00 N ATOM 1261 CA ASN A 441 5.730 -7.984 -4.989 1.00 0.00 C ATOM 1262 C ASN A 441 4.429 -8.693 -5.309 1.00 0.00 C ATOM 1263 O ASN A 441 3.844 -8.456 -6.363 1.00 0.00 O ATOM 1264 CB ASN A 441 5.630 -6.496 -5.367 1.00 0.00 C ATOM 1265 CG ASN A 441 6.729 -5.662 -4.747 1.00 0.00 C ATOM 1266 OD1 ASN A 441 7.193 -5.917 -3.630 1.00 0.00 O ATOM 1267 ND2 ASN A 441 7.172 -4.674 -5.490 1.00 0.00 N ATOM 0 H ASN A 441 7.257 -8.073 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 441 5.919 -8.043 -3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 441 5.672 -6.397 -6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 441 4.662 -6.109 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 441 7.929 -4.081 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 441 6.759 -4.500 -6.406 1.00 0.00 H new ATOM 1274 N THR A 442 4.010 -9.553 -4.401 1.00 0.00 N ATOM 1275 CA THR A 442 2.813 -10.362 -4.591 1.00 0.00 C ATOM 1276 C THR A 442 1.706 -9.850 -3.688 1.00 0.00 C ATOM 1277 O THR A 442 1.971 -9.295 -2.609 1.00 0.00 O ATOM 1278 CB THR A 442 3.102 -11.844 -4.277 1.00 0.00 C ATOM 1279 OG1 THR A 442 4.394 -12.211 -4.761 1.00 0.00 O ATOM 1280 CG2 THR A 442 2.051 -12.737 -4.922 1.00 0.00 C ATOM 0 H THR A 442 4.485 -9.713 -3.513 1.00 0.00 H new ATOM 0 HA THR A 442 2.500 -10.285 -5.632 1.00 0.00 H new ATOM 0 HB THR A 442 3.071 -11.975 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 442 5.060 -11.572 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 442 2.269 -13.780 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 442 1.066 -12.478 -4.535 1.00 0.00 H new ATOM 0 HG23 THR A 442 2.065 -12.594 -6.002 1.00 0.00 H new ATOM 1288 N LEU A 443 0.473 -10.036 -4.107 1.00 0.00 N ATOM 1289 CA LEU A 443 -0.683 -9.585 -3.360 1.00 0.00 C ATOM 1290 C LEU A 443 -1.572 -10.775 -2.996 1.00 0.00 C ATOM 1291 O LEU A 443 -1.665 -11.758 -3.749 1.00 0.00 O ATOM 1292 CB LEU A 443 -1.466 -8.514 -4.154 1.00 0.00 C ATOM 1293 CG LEU A 443 -1.475 -8.683 -5.695 1.00 0.00 C ATOM 1294 CD1 LEU A 443 -2.268 -9.913 -6.106 1.00 0.00 C ATOM 1295 CD2 LEU A 443 -2.029 -7.432 -6.365 1.00 0.00 C ATOM 0 H LEU A 443 0.242 -10.508 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 443 -0.344 -9.121 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -2.498 -8.512 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -1.046 -7.536 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 443 -0.446 -8.825 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -2.257 -10.007 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -1.819 -10.801 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -3.297 -9.815 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -2.028 -7.568 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -3.049 -7.257 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -1.407 -6.575 -6.106 1.00 0.00 H new ATOM 1307 N PRO A 444 -2.217 -10.741 -1.809 1.00 0.00 N ATOM 1308 CA PRO A 444 -3.105 -11.798 -1.353 1.00 0.00 C ATOM 1309 C PRO A 444 -4.402 -11.875 -2.181 1.00 0.00 C ATOM 1310 O PRO A 444 -5.079 -12.889 -2.192 1.00 0.00 O ATOM 1311 CB PRO A 444 -3.408 -11.426 0.113 1.00 0.00 C ATOM 1312 CG PRO A 444 -3.210 -9.941 0.156 1.00 0.00 C ATOM 1313 CD PRO A 444 -2.100 -9.646 -0.822 1.00 0.00 C ATOM 0 HA PRO A 444 -2.647 -12.781 -1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -4.425 -11.702 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -2.737 -11.939 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -4.125 -9.416 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -2.944 -9.611 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -2.224 -8.669 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -1.125 -9.645 -0.335 1.00 0.00 H new ATOM 1321 N VAL A 445 -4.714 -10.751 -2.873 1.00 0.00 N ATOM 1322 CA VAL A 445 -5.870 -10.648 -3.749 1.00 0.00 C ATOM 1323 C VAL A 445 -7.155 -11.168 -3.089 1.00 0.00 C ATOM 1324 O VAL A 445 -8.082 -11.646 -3.750 1.00 0.00 O ATOM 1325 CB VAL A 445 -5.615 -11.350 -5.121 1.00 0.00 C ATOM 1326 CG1 VAL A 445 -5.678 -12.882 -5.036 1.00 0.00 C ATOM 1327 CG2 VAL A 445 -6.581 -10.815 -6.183 1.00 0.00 C ATOM 0 H VAL A 445 -4.158 -9.897 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 445 -6.020 -9.585 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 445 -4.594 -11.107 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -5.493 -13.309 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -4.921 -13.239 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -6.665 -13.187 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -6.390 -11.314 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -7.608 -11.008 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -6.434 -9.742 -6.301 1.00 0.00 H new ATOM 1337 N ARG A 446 -7.207 -11.021 -1.779 1.00 0.00 N ATOM 1338 CA ARG A 446 -8.380 -11.445 -1.002 1.00 0.00 C ATOM 1339 C ARG A 446 -9.409 -10.322 -0.937 1.00 0.00 C ATOM 1340 O ARG A 446 -9.054 -9.144 -0.903 1.00 0.00 O ATOM 1341 CB ARG A 446 -7.987 -11.851 0.404 1.00 0.00 C ATOM 1342 CG ARG A 446 -6.913 -12.936 0.473 1.00 0.00 C ATOM 1343 CD ARG A 446 -7.296 -14.199 -0.300 1.00 0.00 C ATOM 1344 NE ARG A 446 -6.237 -15.189 -0.246 1.00 0.00 N ATOM 1345 CZ ARG A 446 -5.927 -16.016 -1.255 1.00 0.00 C ATOM 1346 NH1 ARG A 446 -6.572 -15.929 -2.420 1.00 0.00 N ATOM 1347 NH2 ARG A 446 -4.943 -16.892 -1.106 1.00 0.00 N ATOM 0 H ARG A 446 -6.457 -10.613 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 446 -8.816 -12.308 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -7.630 -10.970 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -8.875 -12.203 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -5.978 -12.541 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -6.731 -13.195 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -8.212 -14.619 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -7.506 -13.943 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 446 -5.694 -15.261 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -7.305 -15.231 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -6.332 -16.561 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -4.426 -16.934 -0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -4.703 -17.524 -1.870 1.00 0.00 H new ATOM 1361 N ASN A 447 -10.678 -10.718 -0.942 1.00 0.00 N ATOM 1362 CA ASN A 447 -11.817 -9.795 -0.834 1.00 0.00 C ATOM 1363 C ASN A 447 -11.897 -8.839 -2.043 1.00 0.00 C ATOM 1364 O ASN A 447 -12.794 -7.995 -2.113 1.00 0.00 O ATOM 1365 CB ASN A 447 -11.741 -8.972 0.470 1.00 0.00 C ATOM 1366 CG ASN A 447 -11.947 -9.828 1.714 1.00 0.00 C ATOM 1367 OD1 ASN A 447 -11.602 -11.008 1.761 1.00 0.00 O ATOM 1368 ND2 ASN A 447 -12.515 -9.230 2.754 1.00 0.00 N ATOM 0 H ASN A 447 -10.954 -11.697 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 447 -12.719 -10.407 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -10.770 -8.479 0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -12.496 -8.186 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -12.674 -9.750 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -12.792 -8.250 2.690 1.00 0.00 H new ATOM 1375 N VAL A 448 -10.979 -8.986 -2.996 1.00 0.00 N ATOM 1376 CA VAL A 448 -10.935 -8.120 -4.183 1.00 0.00 C ATOM 1377 C VAL A 448 -10.802 -8.962 -5.452 1.00 0.00 C ATOM 1378 O VAL A 448 -10.773 -10.196 -5.398 1.00 0.00 O ATOM 1379 CB VAL A 448 -9.760 -7.127 -4.115 1.00 0.00 C ATOM 1380 CG1 VAL A 448 -9.886 -6.208 -2.904 1.00 0.00 C ATOM 1381 CG2 VAL A 448 -8.419 -7.847 -4.031 1.00 0.00 C ATOM 0 H VAL A 448 -10.250 -9.699 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 448 -11.868 -7.557 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 448 -9.799 -6.540 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -9.043 -5.518 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -10.816 -5.643 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -9.890 -6.806 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -7.614 -7.113 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -8.395 -8.469 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -8.287 -8.475 -4.912 1.00 0.00 H new