USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 273 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 396 HIS : no HD1:sc= 0.382 K(o=0.79,f=-4.1!) USER MOD Set 1.2: A 405 THR OG1 : rot 23:sc= 0.403 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -35:sc= 0.0449! USER MOD Single : A 382 ASN :FLIP amide:sc= -0.91 F(o=-3.9!,f=-0.91) USER MOD Single : A 383 LYS NZ :NH3+ -173:sc=-0.00825 (180deg=-0.109) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 387 ASN : amide:sc= -2.59! C(o=-2.6!,f=-6.3!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.541) USER MOD Single : A 397 ASN : amide:sc= 0.455 K(o=0.45,f=-3.6!) USER MOD Single : A 401 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.1) USER MOD Single : A 402 LYS NZ :NH3+ -159:sc= -0.0813 (180deg=-0.512) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -169:sc= 0.00922 (180deg=-0.186) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.218 5.435 -2.620 1.00 0.00 N ATOM 340 CA GLU A 376 -3.899 5.193 -3.884 1.00 0.00 C ATOM 341 C GLU A 376 -4.871 6.326 -4.200 1.00 0.00 C ATOM 342 O GLU A 376 -4.655 7.470 -3.800 1.00 0.00 O ATOM 343 CB GLU A 376 -4.635 3.852 -3.821 1.00 0.00 C ATOM 344 CG GLU A 376 -3.755 2.698 -3.369 1.00 0.00 C ATOM 345 CD GLU A 376 -2.603 2.434 -4.320 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.867 2.137 -5.504 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.437 2.522 -3.880 1.00 0.00 O ATOM 0 HA GLU A 376 -3.159 5.156 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.481 3.942 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.043 3.624 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.359 2.915 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.362 1.797 -3.280 1.00 0.00 H new ATOM 354 N THR A 377 -5.940 6.001 -4.918 1.00 0.00 N ATOM 355 CA THR A 377 -6.947 6.985 -5.294 1.00 0.00 C ATOM 356 C THR A 377 -8.318 6.333 -5.391 1.00 0.00 C ATOM 357 O THR A 377 -8.424 5.132 -5.634 1.00 0.00 O ATOM 358 CB THR A 377 -6.613 7.653 -6.642 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.590 6.670 -7.684 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.270 8.363 -6.579 1.00 0.00 C ATOM 0 H THR A 377 -6.132 5.057 -5.253 1.00 0.00 H new ATOM 0 HA THR A 377 -6.954 7.750 -4.518 1.00 0.00 H new ATOM 0 HB THR A 377 -7.386 8.392 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.379 7.103 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.058 8.826 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.300 9.131 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.488 7.642 -6.343 1.00 0.00 H new ATOM 368 N GLU A 378 -9.364 7.126 -5.186 1.00 0.00 N ATOM 369 CA GLU A 378 -10.731 6.617 -5.239 1.00 0.00 C ATOM 370 C GLU A 378 -10.945 5.771 -6.486 1.00 0.00 C ATOM 371 O GLU A 378 -11.594 4.727 -6.438 1.00 0.00 O ATOM 372 CB GLU A 378 -11.730 7.774 -5.216 1.00 0.00 C ATOM 373 CG GLU A 378 -13.179 7.321 -5.129 1.00 0.00 C ATOM 374 CD GLU A 378 -14.155 8.481 -5.139 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.081 9.328 -4.224 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.992 8.543 -6.064 1.00 0.00 O ATOM 0 H GLU A 378 -9.292 8.123 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.894 5.990 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.507 8.419 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.599 8.375 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.399 6.659 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.320 6.740 -4.217 1.00 0.00 H new ATOM 383 N GLY A 379 -10.396 6.232 -7.600 1.00 0.00 N ATOM 384 CA GLY A 379 -10.536 5.513 -8.849 1.00 0.00 C ATOM 385 C GLY A 379 -9.854 4.160 -8.839 1.00 0.00 C ATOM 386 O GLY A 379 -10.385 3.193 -9.381 1.00 0.00 O ATOM 0 H GLY A 379 -9.854 7.094 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.596 5.377 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.121 6.116 -9.656 1.00 0.00 H new ATOM 390 N SER A 380 -8.674 4.089 -8.234 1.00 0.00 N ATOM 391 CA SER A 380 -7.931 2.836 -8.179 1.00 0.00 C ATOM 392 C SER A 380 -8.601 1.832 -7.247 1.00 0.00 C ATOM 393 O SER A 380 -8.781 0.670 -7.605 1.00 0.00 O ATOM 394 CB SER A 380 -6.491 3.084 -7.727 1.00 0.00 C ATOM 395 OG SER A 380 -6.451 3.600 -6.409 1.00 0.00 O ATOM 0 H SER A 380 -8.214 4.877 -7.778 1.00 0.00 H new ATOM 0 HA SER A 380 -7.922 2.416 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.927 2.153 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.008 3.783 -8.409 1.00 0.00 H new ATOM 0 HG SER A 380 -7.219 4.192 -6.266 1.00 0.00 H new ATOM 401 N CYS A 381 -8.959 2.288 -6.048 1.00 0.00 N ATOM 402 CA CYS A 381 -9.596 1.427 -5.052 1.00 0.00 C ATOM 403 C CYS A 381 -10.823 0.720 -5.621 1.00 0.00 C ATOM 404 O CYS A 381 -10.971 -0.495 -5.475 1.00 0.00 O ATOM 405 CB CYS A 381 -9.999 2.243 -3.823 1.00 0.00 C ATOM 406 SG CYS A 381 -8.610 3.087 -2.997 1.00 0.00 S ATOM 0 H CYS A 381 -8.819 3.251 -5.742 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.868 0.668 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.736 2.988 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.486 1.582 -3.106 1.00 0.00 H new ATOM 411 N ASN A 382 -11.701 1.484 -6.265 1.00 0.00 N ATOM 412 CA ASN A 382 -12.920 0.926 -6.848 1.00 0.00 C ATOM 413 C ASN A 382 -12.592 -0.248 -7.759 1.00 0.00 C ATOM 414 O ASN A 382 -13.349 -1.215 -7.847 1.00 0.00 O ATOM 415 CB ASN A 382 -13.668 1.994 -7.650 1.00 0.00 C ATOM 416 CG ASN A 382 -14.033 3.213 -6.823 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.645 3.216 -5.554 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.657 4.149 -7.324 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.593 2.490 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.553 0.579 -6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.051 2.306 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.577 1.558 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.937 4.109 -8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.893 4.965 -6.759 1.00 0.00 H new ATOM 425 N LYS A 383 -11.464 -0.143 -8.445 1.00 0.00 N ATOM 426 CA LYS A 383 -11.025 -1.177 -9.367 1.00 0.00 C ATOM 427 C LYS A 383 -10.410 -2.365 -8.634 1.00 0.00 C ATOM 428 O LYS A 383 -10.557 -3.508 -9.066 1.00 0.00 O ATOM 429 CB LYS A 383 -10.017 -0.592 -10.357 1.00 0.00 C ATOM 430 CG LYS A 383 -10.521 0.655 -11.067 1.00 0.00 C ATOM 431 CD LYS A 383 -11.787 0.377 -11.860 1.00 0.00 C ATOM 432 CE LYS A 383 -12.246 1.606 -12.627 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.506 2.759 -11.724 1.00 0.00 N ATOM 0 H LYS A 383 -10.832 0.655 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.900 -1.540 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.096 -0.352 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.768 -1.349 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.715 1.438 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.747 1.030 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.608 -0.442 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.578 0.053 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.486 1.882 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.153 1.369 -13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.929 3.538 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.160 2.469 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.611 3.078 -11.302 1.00 0.00 H new ATOM 447 N LYS A 384 -9.704 -2.095 -7.537 1.00 0.00 N ATOM 448 CA LYS A 384 -9.058 -3.148 -6.779 1.00 0.00 C ATOM 449 C LYS A 384 -10.060 -4.111 -6.180 1.00 0.00 C ATOM 450 O LYS A 384 -11.190 -3.750 -5.850 1.00 0.00 O ATOM 451 CB LYS A 384 -8.192 -2.553 -5.687 1.00 0.00 C ATOM 452 CG LYS A 384 -7.317 -1.438 -6.201 1.00 0.00 C ATOM 453 CD LYS A 384 -6.430 -1.857 -7.353 1.00 0.00 C ATOM 454 CE LYS A 384 -5.666 -3.085 -6.984 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.376 -3.199 -7.718 1.00 0.00 N ATOM 0 H LYS A 384 -9.569 -1.157 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.432 -3.711 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.828 -2.175 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.567 -3.334 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.948 -0.608 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.693 -1.070 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.035 -2.047 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.741 -1.051 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.470 -3.078 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.276 -3.964 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.886 -4.068 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.560 -3.233 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.779 -2.375 -7.501 1.00 0.00 H new ATOM 469 N ASP A 385 -9.611 -5.338 -6.042 1.00 0.00 N ATOM 470 CA ASP A 385 -10.428 -6.407 -5.474 1.00 0.00 C ATOM 471 C ASP A 385 -10.380 -6.359 -3.956 1.00 0.00 C ATOM 472 O ASP A 385 -9.730 -5.498 -3.374 1.00 0.00 O ATOM 473 CB ASP A 385 -9.948 -7.774 -5.968 1.00 0.00 C ATOM 474 CG ASP A 385 -10.815 -8.925 -5.494 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.020 -8.935 -5.822 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.289 -9.816 -4.796 1.00 0.00 O ATOM 0 H ASP A 385 -8.673 -5.631 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.457 -6.260 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.926 -7.771 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -8.925 -7.936 -5.629 1.00 0.00 H new ATOM 481 N GLN A 386 -11.067 -7.299 -3.329 1.00 0.00 N ATOM 482 CA GLN A 386 -11.110 -7.376 -1.870 1.00 0.00 C ATOM 483 C GLN A 386 -9.706 -7.354 -1.282 1.00 0.00 C ATOM 484 O GLN A 386 -9.371 -6.481 -0.479 1.00 0.00 O ATOM 485 CB GLN A 386 -11.842 -8.646 -1.429 1.00 0.00 C ATOM 486 CG GLN A 386 -11.918 -8.816 0.082 1.00 0.00 C ATOM 487 CD GLN A 386 -12.652 -10.079 0.504 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.137 -10.848 -0.467 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.782 -10.361 1.695 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.605 -8.023 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.651 -6.505 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.853 -8.631 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.339 -9.512 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.908 -8.836 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.419 -7.950 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -12.395 -9.745 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.276 -11.211 1.967 1.00 0.00 H new ATOM 498 N ASN A 387 -8.885 -8.309 -1.694 1.00 0.00 N ATOM 499 CA ASN A 387 -7.517 -8.397 -1.222 1.00 0.00 C ATOM 500 C ASN A 387 -6.693 -7.225 -1.741 1.00 0.00 C ATOM 501 O ASN A 387 -5.717 -6.809 -1.117 1.00 0.00 O ATOM 502 CB ASN A 387 -6.903 -9.718 -1.674 1.00 0.00 C ATOM 503 CG ASN A 387 -7.020 -9.935 -3.169 1.00 0.00 C ATOM 504 OD1 ASN A 387 -6.474 -9.170 -3.964 1.00 0.00 O ATOM 505 ND2 ASN A 387 -7.735 -10.982 -3.561 1.00 0.00 N ATOM 0 H ASN A 387 -9.148 -9.037 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.517 -8.356 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.851 -9.742 -1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.394 -10.540 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -7.849 -11.178 -4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.171 -11.590 -2.868 1.00 0.00 H new ATOM 512 N GLU A 388 -7.097 -6.700 -2.892 1.00 0.00 N ATOM 513 CA GLU A 388 -6.407 -5.579 -3.514 1.00 0.00 C ATOM 514 C GLU A 388 -6.783 -4.263 -2.850 1.00 0.00 C ATOM 515 O GLU A 388 -6.060 -3.275 -2.974 1.00 0.00 O ATOM 516 CB GLU A 388 -6.712 -5.533 -5.008 1.00 0.00 C ATOM 517 CG GLU A 388 -6.210 -6.750 -5.768 1.00 0.00 C ATOM 518 CD GLU A 388 -6.456 -6.651 -7.262 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.632 -6.553 -7.666 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.469 -6.672 -8.028 1.00 0.00 O ATOM 0 H GLU A 388 -7.905 -7.037 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.335 -5.725 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.789 -5.446 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.262 -4.637 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.142 -6.871 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.702 -7.643 -5.381 1.00 0.00 H new ATOM 527 N CYS A 389 -7.907 -4.254 -2.136 1.00 0.00 N ATOM 528 CA CYS A 389 -8.345 -3.050 -1.447 1.00 0.00 C ATOM 529 C CYS A 389 -7.221 -2.594 -0.529 1.00 0.00 C ATOM 530 O CYS A 389 -7.002 -3.163 0.541 1.00 0.00 O ATOM 531 CB CYS A 389 -9.632 -3.323 -0.661 1.00 0.00 C ATOM 532 SG CYS A 389 -10.485 -1.823 -0.071 1.00 0.00 S ATOM 0 H CYS A 389 -8.523 -5.059 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.569 -2.261 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.316 -3.891 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.393 -3.952 0.197 1.00 0.00 H new ATOM 537 N LYS A 390 -6.475 -1.599 -0.990 1.00 0.00 N ATOM 538 CA LYS A 390 -5.320 -1.094 -0.256 1.00 0.00 C ATOM 539 C LYS A 390 -5.712 -0.348 1.016 1.00 0.00 C ATOM 540 O LYS A 390 -6.862 0.049 1.194 1.00 0.00 O ATOM 541 CB LYS A 390 -4.483 -0.211 -1.172 1.00 0.00 C ATOM 542 CG LYS A 390 -3.888 -0.974 -2.352 1.00 0.00 C ATOM 543 CD LYS A 390 -2.760 -1.897 -1.916 1.00 0.00 C ATOM 544 CE LYS A 390 -1.581 -1.118 -1.354 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.466 -2.016 -0.946 1.00 0.00 N ATOM 0 H LYS A 390 -6.650 -1.122 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.728 -1.951 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.102 0.604 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.677 0.241 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.669 -1.559 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.513 -0.266 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.129 -2.592 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.430 -2.494 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.223 -0.412 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.909 -0.533 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.318 -1.446 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.800 -2.674 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.136 -2.556 -1.771 1.00 0.00 H new ATOM 559 N SER A 391 -4.734 -0.191 1.910 1.00 0.00 N ATOM 560 CA SER A 391 -4.940 0.472 3.186 1.00 0.00 C ATOM 561 C SER A 391 -5.610 1.836 3.021 1.00 0.00 C ATOM 562 O SER A 391 -6.656 2.078 3.619 1.00 0.00 O ATOM 563 CB SER A 391 -3.605 0.613 3.916 1.00 0.00 C ATOM 564 OG SER A 391 -3.008 -0.652 4.141 1.00 0.00 O ATOM 0 H SER A 391 -3.780 -0.522 1.764 1.00 0.00 H new ATOM 0 HA SER A 391 -5.614 -0.145 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.931 1.237 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.760 1.119 4.869 1.00 0.00 H new ATOM 0 HG SER A 391 -2.155 -0.533 4.608 1.00 0.00 H new ATOM 570 N PRO A 392 -5.038 2.750 2.203 1.00 0.00 N ATOM 571 CA PRO A 392 -5.619 4.070 1.978 1.00 0.00 C ATOM 572 C PRO A 392 -7.104 3.973 1.672 1.00 0.00 C ATOM 573 O PRO A 392 -7.897 4.823 2.080 1.00 0.00 O ATOM 574 CB PRO A 392 -4.865 4.596 0.748 1.00 0.00 C ATOM 575 CG PRO A 392 -4.062 3.450 0.238 1.00 0.00 C ATOM 576 CD PRO A 392 -3.803 2.591 1.428 1.00 0.00 C ATOM 0 HA PRO A 392 -5.528 4.715 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.560 4.954 -0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.222 5.435 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.604 2.902 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.129 3.792 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.629 1.552 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.927 2.922 1.986 1.00 0.00 H new ATOM 584 N CYS A 393 -7.464 2.924 0.945 1.00 0.00 N ATOM 585 CA CYS A 393 -8.844 2.688 0.566 1.00 0.00 C ATOM 586 C CYS A 393 -9.700 2.384 1.793 1.00 0.00 C ATOM 587 O CYS A 393 -9.336 2.713 2.921 1.00 0.00 O ATOM 588 CB CYS A 393 -8.917 1.514 -0.417 1.00 0.00 C ATOM 589 SG CYS A 393 -7.782 1.646 -1.837 1.00 0.00 S ATOM 0 H CYS A 393 -6.810 2.219 0.605 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.230 3.589 0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.699 0.592 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.938 1.432 -0.790 1.00 0.00 H new ATOM 594 N LYS A 394 -10.831 1.737 1.557 1.00 0.00 N ATOM 595 CA LYS A 394 -11.749 1.359 2.624 1.00 0.00 C ATOM 596 C LYS A 394 -12.683 0.260 2.141 1.00 0.00 C ATOM 597 O LYS A 394 -13.504 0.474 1.249 1.00 0.00 O ATOM 598 CB LYS A 394 -12.559 2.567 3.097 1.00 0.00 C ATOM 599 CG LYS A 394 -13.518 2.249 4.233 1.00 0.00 C ATOM 600 CD LYS A 394 -14.352 3.460 4.624 1.00 0.00 C ATOM 601 CE LYS A 394 -13.488 4.596 5.149 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.303 5.781 5.535 1.00 0.00 N ATOM 0 H LYS A 394 -11.139 1.459 0.625 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.165 0.988 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.873 3.350 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.125 2.966 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.178 1.434 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.954 1.901 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.920 3.805 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.076 3.172 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.919 4.250 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.766 4.885 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.722 6.641 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.122 5.861 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.635 5.670 6.514 1.00 0.00 H new ATOM 616 N TRP A 395 -12.542 -0.921 2.730 1.00 0.00 N ATOM 617 CA TRP A 395 -13.360 -2.061 2.352 1.00 0.00 C ATOM 618 C TRP A 395 -14.773 -1.942 2.908 1.00 0.00 C ATOM 619 O TRP A 395 -14.964 -1.745 4.108 1.00 0.00 O ATOM 620 CB TRP A 395 -12.717 -3.359 2.846 1.00 0.00 C ATOM 621 CG TRP A 395 -13.406 -4.593 2.351 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.902 -5.615 3.108 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.665 -4.942 0.986 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.463 -6.573 2.298 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.329 -6.183 0.991 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.404 -4.322 -0.240 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.730 -6.816 -0.182 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.803 -4.952 -1.403 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.461 -6.187 -1.367 1.00 0.00 C ATOM 0 H TRP A 395 -11.868 -1.112 3.471 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.424 -2.078 1.264 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.675 -3.382 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.719 -3.364 3.936 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.860 -5.664 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.907 -7.434 2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.900 -3.368 -0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.236 -7.770 -0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.604 -4.484 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.763 -6.653 -2.294 1.00 0.00 H new ATOM 640 N HIS A 396 -15.764 -2.078 2.030 1.00 0.00 N ATOM 641 CA HIS A 396 -17.160 -2.003 2.440 1.00 0.00 C ATOM 642 C HIS A 396 -17.825 -3.368 2.328 1.00 0.00 C ATOM 643 O HIS A 396 -18.027 -3.887 1.227 1.00 0.00 O ATOM 644 CB HIS A 396 -17.918 -0.982 1.590 1.00 0.00 C ATOM 645 CG HIS A 396 -17.460 0.427 1.797 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.543 1.074 3.012 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.911 1.318 0.937 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.068 2.300 2.891 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.677 2.473 1.642 1.00 0.00 N ATOM 0 H HIS A 396 -15.625 -2.240 1.033 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.190 -1.682 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.804 -1.241 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.981 -1.047 1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.697 1.151 -0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.009 3.036 3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.267 3.326 1.262 1.00 0.00 H new ATOM 658 N ASN A 397 -18.161 -3.943 3.479 1.00 0.00 N ATOM 659 CA ASN A 397 -18.805 -5.249 3.533 1.00 0.00 C ATOM 660 C ASN A 397 -20.307 -5.128 3.303 1.00 0.00 C ATOM 661 O ASN A 397 -20.938 -4.170 3.752 1.00 0.00 O ATOM 662 CB ASN A 397 -18.532 -5.919 4.879 1.00 0.00 C ATOM 663 CG ASN A 397 -19.033 -5.094 6.050 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.609 -3.956 6.247 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.936 -5.668 6.835 1.00 0.00 N ATOM 0 H ASN A 397 -17.996 -3.520 4.392 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.386 -5.866 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.010 -6.898 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.460 -6.085 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.307 -5.163 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.259 -6.614 6.633 1.00 0.00 H new ATOM 672 N ASP A 398 -20.869 -6.107 2.602 1.00 0.00 N ATOM 673 CA ASP A 398 -22.297 -6.125 2.305 1.00 0.00 C ATOM 674 C ASP A 398 -22.704 -4.903 1.486 1.00 0.00 C ATOM 675 O ASP A 398 -23.805 -4.375 1.646 1.00 0.00 O ATOM 676 CB ASP A 398 -23.112 -6.187 3.598 1.00 0.00 C ATOM 677 CG ASP A 398 -22.810 -7.430 4.414 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.014 -8.546 3.891 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.370 -7.288 5.574 1.00 0.00 O ATOM 0 H ASP A 398 -20.354 -6.903 2.227 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.504 -7.017 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.903 -5.302 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.175 -6.164 3.356 1.00 0.00 H new ATOM 684 N ALA A 399 -21.815 -4.470 0.598 1.00 0.00 N ATOM 685 CA ALA A 399 -22.087 -3.322 -0.261 1.00 0.00 C ATOM 686 C ALA A 399 -22.908 -3.749 -1.471 1.00 0.00 C ATOM 687 O ALA A 399 -22.703 -3.254 -2.581 1.00 0.00 O ATOM 688 CB ALA A 399 -20.785 -2.682 -0.710 1.00 0.00 C ATOM 0 H ALA A 399 -20.900 -4.897 0.454 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.660 -2.590 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.002 -1.827 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.223 -2.349 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.194 -3.410 -1.265 1.00 0.00 H new ATOM 694 N GLU A 400 -23.817 -4.696 -1.239 1.00 0.00 N ATOM 695 CA GLU A 400 -24.676 -5.249 -2.283 1.00 0.00 C ATOM 696 C GLU A 400 -23.886 -6.234 -3.135 1.00 0.00 C ATOM 697 O GLU A 400 -24.436 -7.199 -3.666 1.00 0.00 O ATOM 698 CB GLU A 400 -25.274 -4.144 -3.158 1.00 0.00 C ATOM 699 CG GLU A 400 -26.128 -3.147 -2.388 1.00 0.00 C ATOM 700 CD GLU A 400 -27.367 -3.779 -1.780 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.222 -4.681 -0.928 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.486 -3.370 -2.157 1.00 0.00 O ATOM 0 H GLU A 400 -23.978 -5.102 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.503 -5.773 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.465 -3.608 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.881 -4.601 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.529 -2.698 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.428 -2.340 -3.057 1.00 0.00 H new ATOM 709 N ASN A 401 -22.588 -5.976 -3.247 1.00 0.00 N ATOM 710 CA ASN A 401 -21.680 -6.811 -4.018 1.00 0.00 C ATOM 711 C ASN A 401 -20.242 -6.522 -3.608 1.00 0.00 C ATOM 712 O ASN A 401 -19.305 -6.780 -4.367 1.00 0.00 O ATOM 713 CB ASN A 401 -21.851 -6.519 -5.505 1.00 0.00 C ATOM 714 CG ASN A 401 -23.185 -6.983 -6.050 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.442 -8.180 -6.165 1.00 0.00 O ATOM 716 ND2 ASN A 401 -24.048 -6.028 -6.365 1.00 0.00 N ATOM 0 H ASN A 401 -22.136 -5.177 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.908 -7.859 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.749 -5.447 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.049 -7.006 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.972 -6.273 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.788 -5.048 -6.252 1.00 0.00 H new ATOM 723 N LYS A 402 -20.085 -5.965 -2.407 1.00 0.00 N ATOM 724 CA LYS A 402 -18.768 -5.608 -1.878 1.00 0.00 C ATOM 725 C LYS A 402 -18.152 -4.484 -2.707 1.00 0.00 C ATOM 726 O LYS A 402 -18.132 -4.553 -3.937 1.00 0.00 O ATOM 727 CB LYS A 402 -17.838 -6.825 -1.865 1.00 0.00 C ATOM 728 CG LYS A 402 -18.301 -7.944 -0.946 1.00 0.00 C ATOM 729 CD LYS A 402 -18.321 -7.500 0.509 1.00 0.00 C ATOM 730 CE LYS A 402 -18.765 -8.625 1.430 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.137 -9.103 1.103 1.00 0.00 N ATOM 0 H LYS A 402 -20.859 -5.750 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.895 -5.262 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.750 -7.214 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.842 -6.506 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.298 -8.269 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.640 -8.803 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.327 -7.161 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.994 -6.650 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.063 -9.456 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.738 -8.280 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.541 -9.591 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.737 -8.291 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.093 -9.762 0.299 1.00 0.00 H new ATOM 745 N LYS A 403 -17.661 -3.440 -2.039 1.00 0.00 N ATOM 746 CA LYS A 403 -17.068 -2.310 -2.752 1.00 0.00 C ATOM 747 C LYS A 403 -15.928 -1.666 -1.967 1.00 0.00 C ATOM 748 O LYS A 403 -16.057 -1.386 -0.776 1.00 0.00 O ATOM 749 CB LYS A 403 -18.133 -1.249 -3.047 1.00 0.00 C ATOM 750 CG LYS A 403 -19.347 -1.780 -3.792 1.00 0.00 C ATOM 751 CD LYS A 403 -20.303 -0.661 -4.183 1.00 0.00 C ATOM 752 CE LYS A 403 -20.825 0.086 -2.965 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.775 1.170 -3.343 1.00 0.00 N ATOM 0 H LYS A 403 -17.661 -3.353 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.661 -2.703 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.462 -0.808 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.681 -0.449 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.021 -2.310 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.870 -2.503 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.793 0.037 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.142 -1.077 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.322 -0.615 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.987 0.513 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.108 1.655 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.294 1.853 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.588 0.760 -3.846 1.00 0.00 H new ATOM 767 N CYS A 404 -14.821 -1.409 -2.662 1.00 0.00 N ATOM 768 CA CYS A 404 -13.658 -0.764 -2.059 1.00 0.00 C ATOM 769 C CYS A 404 -13.586 0.690 -2.517 1.00 0.00 C ATOM 770 O CYS A 404 -13.706 0.974 -3.710 1.00 0.00 O ATOM 771 CB CYS A 404 -12.373 -1.507 -2.445 1.00 0.00 C ATOM 772 SG CYS A 404 -10.848 -0.769 -1.773 1.00 0.00 S ATOM 0 H CYS A 404 -14.706 -1.640 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.794 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.446 -2.538 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.299 -1.539 -3.532 1.00 0.00 H new ATOM 777 N THR A 405 -13.408 1.612 -1.576 1.00 0.00 N ATOM 778 CA THR A 405 -13.347 3.032 -1.910 1.00 0.00 C ATOM 779 C THR A 405 -12.246 3.752 -1.137 1.00 0.00 C ATOM 780 O THR A 405 -12.047 3.513 0.053 1.00 0.00 O ATOM 781 CB THR A 405 -14.691 3.728 -1.625 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.995 3.651 -0.229 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.811 3.083 -2.427 1.00 0.00 C ATOM 0 H THR A 405 -13.304 1.404 -0.583 1.00 0.00 H new ATOM 0 HA THR A 405 -13.124 3.088 -2.975 1.00 0.00 H new ATOM 0 HB THR A 405 -14.605 4.773 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.168 3.519 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.752 3.590 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.591 3.165 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.895 2.031 -2.154 1.00 0.00 H new ATOM 791 N LEU A 406 -11.538 4.639 -1.832 1.00 0.00 N ATOM 792 CA LEU A 406 -10.456 5.407 -1.232 1.00 0.00 C ATOM 793 C LEU A 406 -11.002 6.421 -0.239 1.00 0.00 C ATOM 794 O LEU A 406 -12.052 7.024 -0.460 1.00 0.00 O ATOM 795 CB LEU A 406 -9.644 6.110 -2.319 1.00 0.00 C ATOM 796 CG LEU A 406 -8.320 6.740 -1.873 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.557 8.048 -1.138 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.532 5.772 -1.006 1.00 0.00 C ATOM 0 H LEU A 406 -11.698 4.843 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.803 4.721 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.432 5.389 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.264 6.891 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.734 6.959 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.600 8.473 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.071 8.748 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.170 7.864 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.595 6.238 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.117 5.517 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.318 4.866 -1.574 1.00 0.00 H new ATOM 810 N ASP A 407 -10.274 6.604 0.850 1.00 0.00 N ATOM 811 CA ASP A 407 -10.668 7.549 1.884 1.00 0.00 C ATOM 812 C ASP A 407 -9.746 8.764 1.865 1.00 0.00 C ATOM 813 O ASP A 407 -8.524 8.626 1.899 1.00 0.00 O ATOM 814 CB ASP A 407 -10.641 6.867 3.252 1.00 0.00 C ATOM 815 CG ASP A 407 -11.172 7.756 4.359 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.641 8.871 4.535 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.122 7.336 5.052 1.00 0.00 O ATOM 0 H ASP A 407 -9.403 6.109 1.042 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.685 7.889 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.234 5.953 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.618 6.573 3.487 1.00 0.00 H new ATOM 822 N LYS A 408 -10.338 9.952 1.791 1.00 0.00 N ATOM 823 CA LYS A 408 -9.570 11.194 1.746 1.00 0.00 C ATOM 824 C LYS A 408 -8.816 11.440 3.050 1.00 0.00 C ATOM 825 O LYS A 408 -7.633 11.777 3.036 1.00 0.00 O ATOM 826 CB LYS A 408 -10.501 12.374 1.454 1.00 0.00 C ATOM 827 CG LYS A 408 -11.307 12.215 0.173 1.00 0.00 C ATOM 828 CD LYS A 408 -10.405 12.110 -1.049 1.00 0.00 C ATOM 829 CE LYS A 408 -11.215 11.930 -2.322 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.044 10.694 -2.283 1.00 0.00 N ATOM 0 H LYS A 408 -11.349 10.082 1.761 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.834 11.100 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.187 12.500 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.908 13.286 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.930 11.324 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.979 13.065 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.793 13.008 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.722 11.269 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.861 12.796 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.541 11.888 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.434 10.507 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.455 9.890 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.824 10.820 -1.606 1.00 0.00 H new ATOM 844 N GLU A 409 -9.511 11.283 4.170 1.00 0.00 N ATOM 845 CA GLU A 409 -8.912 11.501 5.484 1.00 0.00 C ATOM 846 C GLU A 409 -7.773 10.520 5.759 1.00 0.00 C ATOM 847 O GLU A 409 -6.726 10.901 6.283 1.00 0.00 O ATOM 848 CB GLU A 409 -9.974 11.382 6.581 1.00 0.00 C ATOM 849 CG GLU A 409 -11.052 12.457 6.516 1.00 0.00 C ATOM 850 CD GLU A 409 -11.887 12.380 5.253 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.533 11.335 5.030 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.895 13.367 4.486 1.00 0.00 O ATOM 0 H GLU A 409 -10.492 11.005 4.196 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.497 12.509 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.447 10.402 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.485 11.430 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.705 12.362 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.583 13.439 6.576 1.00 0.00 H new ATOM 859 N GLU A 410 -7.984 9.255 5.416 1.00 0.00 N ATOM 860 CA GLU A 410 -6.977 8.228 5.641 1.00 0.00 C ATOM 861 C GLU A 410 -5.794 8.397 4.695 1.00 0.00 C ATOM 862 O GLU A 410 -4.641 8.321 5.116 1.00 0.00 O ATOM 863 CB GLU A 410 -7.594 6.839 5.475 1.00 0.00 C ATOM 864 CG GLU A 410 -6.620 5.703 5.736 1.00 0.00 C ATOM 865 CD GLU A 410 -7.298 4.348 5.734 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.946 4.012 4.722 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.184 3.625 6.746 1.00 0.00 O ATOM 0 H GLU A 410 -8.843 8.917 4.982 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.609 8.334 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.440 6.744 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.986 6.744 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -5.839 5.716 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.132 5.860 6.698 1.00 0.00 H new ATOM 874 N ALA A 411 -6.084 8.621 3.417 1.00 0.00 N ATOM 875 CA ALA A 411 -5.038 8.795 2.415 1.00 0.00 C ATOM 876 C ALA A 411 -4.113 9.957 2.764 1.00 0.00 C ATOM 877 O ALA A 411 -2.891 9.834 2.675 1.00 0.00 O ATOM 878 CB ALA A 411 -5.653 9.009 1.041 1.00 0.00 C ATOM 0 H ALA A 411 -7.034 8.686 3.051 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.439 7.884 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.861 9.137 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.259 8.143 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.281 9.900 1.058 1.00 0.00 H new ATOM 884 N LYS A 412 -4.697 11.085 3.153 1.00 0.00 N ATOM 885 CA LYS A 412 -3.915 12.264 3.505 1.00 0.00 C ATOM 886 C LYS A 412 -3.041 12.002 4.730 1.00 0.00 C ATOM 887 O LYS A 412 -1.901 12.459 4.793 1.00 0.00 O ATOM 888 CB LYS A 412 -4.827 13.468 3.754 1.00 0.00 C ATOM 889 CG LYS A 412 -5.774 13.287 4.930 1.00 0.00 C ATOM 890 CD LYS A 412 -6.634 14.520 5.157 1.00 0.00 C ATOM 891 CE LYS A 412 -5.798 15.725 5.557 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.639 16.931 5.788 1.00 0.00 N ATOM 0 H LYS A 412 -5.706 11.208 3.232 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.262 12.490 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.210 14.349 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.412 13.661 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.416 12.424 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.198 13.074 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.189 14.749 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.369 14.313 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.238 15.494 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.068 15.936 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.032 17.731 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.154 17.167 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.319 16.739 6.551 1.00 0.00 H new