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 :FLIP no HE2:sc= -1.25 F(o=-2.1!,f=-1.3) USER MOD Set 1.2: A 405 THR OG1 : rot 167:sc= -0.0326 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.379 USER MOD Set 2.2: A 380 SER OG : rot 84:sc= 0.406 USER MOD Single : A 382 ASN :FLIP amide:sc= -3.21! C(o=-8.8!,f=-3.2!) USER MOD Single : A 383 LYS NZ :NH3+ -168:sc= -0.0213 (180deg=-0.184) USER MOD Single : A 384 LYS NZ :NH3+ 174:sc= 0.414 (180deg=0.402) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc=-0.00731 X(o=-0.0073,f=-0.0073) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.8) USER MOD Single : A 401 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.1) USER MOD Single : A 402 LYS NZ :NH3+ 165:sc= -0.0544 (180deg=-0.299) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ -134:sc= -0.0339 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.187 5.356 -3.027 1.00 0.00 N ATOM 340 CA GLU A 376 -3.860 5.155 -4.303 1.00 0.00 C ATOM 341 C GLU A 376 -4.817 6.311 -4.596 1.00 0.00 C ATOM 342 O GLU A 376 -4.590 7.440 -4.163 1.00 0.00 O ATOM 343 CB GLU A 376 -4.614 3.820 -4.283 1.00 0.00 C ATOM 344 CG GLU A 376 -3.747 2.632 -3.894 1.00 0.00 C ATOM 345 CD GLU A 376 -2.634 2.363 -4.889 1.00 0.00 C ATOM 346 OE1 GLU A 376 -1.759 3.238 -5.059 1.00 0.00 O ATOM 347 OE2 GLU A 376 -2.637 1.273 -5.501 1.00 0.00 O ATOM 0 HA GLU A 376 -3.114 5.128 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.447 3.894 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.041 3.639 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.313 2.812 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.373 1.744 -3.808 1.00 0.00 H new ATOM 354 N THR A 377 -5.885 6.021 -5.331 1.00 0.00 N ATOM 355 CA THR A 377 -6.875 7.031 -5.687 1.00 0.00 C ATOM 356 C THR A 377 -8.256 6.404 -5.792 1.00 0.00 C ATOM 357 O THR A 377 -8.379 5.193 -5.966 1.00 0.00 O ATOM 358 CB THR A 377 -6.533 7.717 -7.023 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.545 6.755 -8.085 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.167 8.384 -6.957 1.00 0.00 C ATOM 0 H THR A 377 -6.088 5.089 -5.694 1.00 0.00 H new ATOM 0 HA THR A 377 -6.866 7.783 -4.898 1.00 0.00 H new ATOM 0 HB THR A 377 -7.286 8.482 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.328 7.199 -8.931 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.949 8.861 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.167 9.136 -6.167 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.406 7.634 -6.744 1.00 0.00 H new ATOM 368 N GLU A 378 -9.291 7.229 -5.668 1.00 0.00 N ATOM 369 CA GLU A 378 -10.664 6.744 -5.734 1.00 0.00 C ATOM 370 C GLU A 378 -10.863 5.834 -6.939 1.00 0.00 C ATOM 371 O GLU A 378 -11.501 4.789 -6.839 1.00 0.00 O ATOM 372 CB GLU A 378 -11.644 7.914 -5.794 1.00 0.00 C ATOM 373 CG GLU A 378 -13.096 7.488 -5.666 1.00 0.00 C ATOM 374 CD GLU A 378 -14.061 8.647 -5.828 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.050 9.282 -6.903 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.826 8.920 -4.880 1.00 0.00 O ATOM 0 H GLU A 378 -9.205 8.235 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.859 6.167 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.408 8.618 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.510 8.444 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.316 6.730 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.250 7.025 -4.691 1.00 0.00 H new ATOM 383 N GLY A 379 -10.309 6.237 -8.074 1.00 0.00 N ATOM 384 CA GLY A 379 -10.437 5.445 -9.280 1.00 0.00 C ATOM 385 C GLY A 379 -9.766 4.092 -9.168 1.00 0.00 C ATOM 386 O GLY A 379 -10.287 3.093 -9.662 1.00 0.00 O ATOM 0 H GLY A 379 -9.773 7.098 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.494 5.304 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.003 5.993 -10.117 1.00 0.00 H new ATOM 390 N SER A 380 -8.605 4.059 -8.525 1.00 0.00 N ATOM 391 CA SER A 380 -7.862 2.814 -8.362 1.00 0.00 C ATOM 392 C SER A 380 -8.550 1.872 -7.377 1.00 0.00 C ATOM 393 O SER A 380 -8.719 0.684 -7.655 1.00 0.00 O ATOM 394 CB SER A 380 -6.445 3.106 -7.888 1.00 0.00 C ATOM 395 OG SER A 380 -5.753 3.925 -8.815 1.00 0.00 O ATOM 0 H SER A 380 -8.158 4.876 -8.109 1.00 0.00 H new ATOM 0 HA SER A 380 -7.828 2.321 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.478 3.599 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.904 2.170 -7.752 1.00 0.00 H new ATOM 0 HG SER A 380 -5.976 4.865 -8.651 1.00 0.00 H new ATOM 401 N CYS A 381 -8.931 2.407 -6.222 1.00 0.00 N ATOM 402 CA CYS A 381 -9.582 1.618 -5.179 1.00 0.00 C ATOM 403 C CYS A 381 -10.849 0.935 -5.681 1.00 0.00 C ATOM 404 O CYS A 381 -11.043 -0.261 -5.458 1.00 0.00 O ATOM 405 CB CYS A 381 -9.921 2.505 -3.982 1.00 0.00 C ATOM 406 SG CYS A 381 -8.467 3.211 -3.144 1.00 0.00 S ATOM 0 H CYS A 381 -8.800 3.390 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.880 0.840 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.564 3.319 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.494 1.921 -3.262 1.00 0.00 H new ATOM 411 N ASN A 382 -11.710 1.695 -6.349 1.00 0.00 N ATOM 412 CA ASN A 382 -12.962 1.152 -6.867 1.00 0.00 C ATOM 413 C ASN A 382 -12.700 -0.090 -7.707 1.00 0.00 C ATOM 414 O ASN A 382 -13.512 -1.014 -7.741 1.00 0.00 O ATOM 415 CB ASN A 382 -13.702 2.198 -7.704 1.00 0.00 C ATOM 416 CG ASN A 382 -13.993 3.480 -6.942 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.564 3.545 -5.685 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.599 4.407 -7.479 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.565 2.686 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.587 0.878 -6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.107 2.435 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.641 1.772 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.912 4.319 -8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.788 5.263 -6.957 1.00 0.00 H new ATOM 425 N LYS A 383 -11.558 -0.102 -8.383 1.00 0.00 N ATOM 426 CA LYS A 383 -11.181 -1.225 -9.226 1.00 0.00 C ATOM 427 C LYS A 383 -10.638 -2.384 -8.393 1.00 0.00 C ATOM 428 O LYS A 383 -10.886 -3.550 -8.706 1.00 0.00 O ATOM 429 CB LYS A 383 -10.139 -0.784 -10.256 1.00 0.00 C ATOM 430 CG LYS A 383 -10.568 0.424 -11.079 1.00 0.00 C ATOM 431 CD LYS A 383 -11.867 0.168 -11.832 1.00 0.00 C ATOM 432 CE LYS A 383 -11.725 -0.965 -12.836 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.698 -0.666 -13.872 1.00 0.00 N ATOM 0 H LYS A 383 -10.876 0.657 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.074 -1.572 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.208 -0.550 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.931 -1.616 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.693 1.285 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.781 0.677 -11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.657 -0.073 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.171 1.077 -12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.455 -1.882 -12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.686 -1.144 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.772 -1.359 -14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.853 0.291 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.750 -0.721 -13.447 1.00 0.00 H new ATOM 447 N LYS A 384 -9.877 -2.063 -7.346 1.00 0.00 N ATOM 448 CA LYS A 384 -9.285 -3.068 -6.496 1.00 0.00 C ATOM 449 C LYS A 384 -10.303 -4.009 -5.896 1.00 0.00 C ATOM 450 O LYS A 384 -11.449 -3.645 -5.629 1.00 0.00 O ATOM 451 CB LYS A 384 -8.492 -2.404 -5.385 1.00 0.00 C ATOM 452 CG LYS A 384 -7.432 -1.469 -5.913 1.00 0.00 C ATOM 453 CD LYS A 384 -6.480 -2.181 -6.853 1.00 0.00 C ATOM 454 CE LYS A 384 -6.898 -2.028 -8.308 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.879 -2.585 -9.241 1.00 0.00 N ATOM 0 H LYS A 384 -9.661 -1.104 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.628 -3.666 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.172 -1.849 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.022 -3.171 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.906 -0.638 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.872 -1.045 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.474 -1.783 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.440 -3.240 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.850 -2.534 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.056 -0.973 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.245 -2.554 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.008 -2.020 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.672 -3.570 -8.981 1.00 0.00 H new ATOM 469 N ASP A 385 -9.837 -5.214 -5.667 1.00 0.00 N ATOM 470 CA ASP A 385 -10.646 -6.264 -5.064 1.00 0.00 C ATOM 471 C ASP A 385 -10.438 -6.260 -3.557 1.00 0.00 C ATOM 472 O ASP A 385 -9.657 -5.461 -3.047 1.00 0.00 O ATOM 473 CB ASP A 385 -10.276 -7.629 -5.646 1.00 0.00 C ATOM 474 CG ASP A 385 -10.509 -7.703 -7.143 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.891 -6.907 -7.880 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.310 -8.557 -7.577 1.00 0.00 O ATOM 0 H ASP A 385 -8.885 -5.501 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.696 -6.074 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.228 -7.839 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.863 -8.403 -5.151 1.00 0.00 H new ATOM 481 N GLN A 386 -11.126 -7.148 -2.848 1.00 0.00 N ATOM 482 CA GLN A 386 -10.993 -7.220 -1.396 1.00 0.00 C ATOM 483 C GLN A 386 -9.520 -7.219 -0.992 1.00 0.00 C ATOM 484 O GLN A 386 -9.091 -6.408 -0.171 1.00 0.00 O ATOM 485 CB GLN A 386 -11.679 -8.479 -0.860 1.00 0.00 C ATOM 486 CG GLN A 386 -11.653 -8.589 0.656 1.00 0.00 C ATOM 487 CD GLN A 386 -12.315 -9.857 1.159 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.882 -10.965 0.844 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.376 -9.698 1.942 1.00 0.00 N ATOM 0 H GLN A 386 -11.776 -7.823 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.476 -6.343 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.715 -8.490 -1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.194 -9.357 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.619 -8.561 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.157 -7.724 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.700 -8.760 2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.867 -10.514 2.308 1.00 0.00 H new ATOM 498 N ASN A 387 -8.753 -8.124 -1.586 1.00 0.00 N ATOM 499 CA ASN A 387 -7.336 -8.237 -1.310 1.00 0.00 C ATOM 500 C ASN A 387 -6.576 -7.004 -1.791 1.00 0.00 C ATOM 501 O ASN A 387 -5.619 -6.565 -1.152 1.00 0.00 O ATOM 502 CB ASN A 387 -6.797 -9.484 -1.999 1.00 0.00 C ATOM 503 CG ASN A 387 -7.504 -10.746 -1.550 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.502 -11.085 -0.367 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.113 -11.450 -2.495 1.00 0.00 N ATOM 0 H ASN A 387 -9.099 -8.797 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.193 -8.313 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.906 -9.375 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.730 -9.576 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.605 -12.310 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.089 -11.131 -3.464 1.00 0.00 H new ATOM 512 N GLU A 388 -7.002 -6.458 -2.926 1.00 0.00 N ATOM 513 CA GLU A 388 -6.357 -5.284 -3.506 1.00 0.00 C ATOM 514 C GLU A 388 -6.793 -4.002 -2.811 1.00 0.00 C ATOM 515 O GLU A 388 -6.204 -2.943 -3.032 1.00 0.00 O ATOM 516 CB GLU A 388 -6.657 -5.197 -5.002 1.00 0.00 C ATOM 517 CG GLU A 388 -6.138 -6.384 -5.797 1.00 0.00 C ATOM 518 CD GLU A 388 -6.425 -6.264 -7.281 1.00 0.00 C ATOM 519 OE1 GLU A 388 -5.967 -5.279 -7.897 1.00 0.00 O ATOM 520 OE2 GLU A 388 -7.108 -7.155 -7.827 1.00 0.00 O ATOM 0 H GLU A 388 -7.794 -6.811 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.282 -5.394 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.735 -5.119 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.216 -4.283 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.063 -6.476 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.593 -7.298 -5.416 1.00 0.00 H new ATOM 527 N CYS A 389 -7.818 -4.093 -1.967 1.00 0.00 N ATOM 528 CA CYS A 389 -8.301 -2.922 -1.249 1.00 0.00 C ATOM 529 C CYS A 389 -7.171 -2.374 -0.388 1.00 0.00 C ATOM 530 O CYS A 389 -6.915 -2.865 0.712 1.00 0.00 O ATOM 531 CB CYS A 389 -9.516 -3.276 -0.390 1.00 0.00 C ATOM 532 SG CYS A 389 -10.526 -1.840 0.097 1.00 0.00 S ATOM 0 H CYS A 389 -8.324 -4.956 -1.767 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.616 -2.161 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.143 -3.979 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.175 -3.789 0.509 1.00 0.00 H new ATOM 537 N LYS A 390 -6.475 -1.377 -0.919 1.00 0.00 N ATOM 538 CA LYS A 390 -5.334 -0.782 -0.232 1.00 0.00 C ATOM 539 C LYS A 390 -5.750 0.027 0.994 1.00 0.00 C ATOM 540 O LYS A 390 -6.916 0.392 1.149 1.00 0.00 O ATOM 541 CB LYS A 390 -4.544 0.084 -1.205 1.00 0.00 C ATOM 542 CG LYS A 390 -3.963 -0.703 -2.373 1.00 0.00 C ATOM 543 CD LYS A 390 -2.889 -1.677 -1.914 1.00 0.00 C ATOM 544 CE LYS A 390 -2.317 -2.466 -3.082 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.278 -3.438 -2.641 1.00 0.00 N ATOM 0 H LYS A 390 -6.681 -0.961 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.703 -1.594 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.193 0.870 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.733 0.576 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.760 -1.250 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.541 -0.013 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.088 -1.130 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.309 -2.365 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.122 -3.000 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.885 -1.777 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -0.914 -3.955 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.498 -2.927 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.696 -4.111 -1.968 1.00 0.00 H new ATOM 559 N SER A 391 -4.778 0.283 1.870 1.00 0.00 N ATOM 560 CA SER A 391 -5.019 1.032 3.104 1.00 0.00 C ATOM 561 C SER A 391 -5.693 2.376 2.828 1.00 0.00 C ATOM 562 O SER A 391 -6.736 2.671 3.413 1.00 0.00 O ATOM 563 CB SER A 391 -3.706 1.243 3.865 1.00 0.00 C ATOM 564 OG SER A 391 -3.927 1.932 5.082 1.00 0.00 O ATOM 0 H SER A 391 -3.812 -0.019 1.747 1.00 0.00 H new ATOM 0 HA SER A 391 -5.698 0.442 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.241 0.278 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.010 1.808 3.245 1.00 0.00 H new ATOM 0 HG SER A 391 -3.074 2.053 5.549 1.00 0.00 H new ATOM 570 N PRO A 392 -5.129 3.216 1.930 1.00 0.00 N ATOM 571 CA PRO A 392 -5.714 4.513 1.597 1.00 0.00 C ATOM 572 C PRO A 392 -7.195 4.385 1.273 1.00 0.00 C ATOM 573 O PRO A 392 -7.989 5.283 1.553 1.00 0.00 O ATOM 574 CB PRO A 392 -4.929 4.957 0.350 1.00 0.00 C ATOM 575 CG PRO A 392 -4.154 3.763 -0.085 1.00 0.00 C ATOM 576 CD PRO A 392 -3.899 2.989 1.162 1.00 0.00 C ATOM 0 HA PRO A 392 -5.649 5.222 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.603 5.294 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.266 5.791 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.715 3.171 -0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.220 4.053 -0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.737 1.931 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.017 3.350 1.691 1.00 0.00 H new ATOM 584 N CYS A 393 -7.552 3.252 0.678 1.00 0.00 N ATOM 585 CA CYS A 393 -8.931 2.976 0.303 1.00 0.00 C ATOM 586 C CYS A 393 -9.813 2.799 1.535 1.00 0.00 C ATOM 587 O CYS A 393 -9.510 3.305 2.615 1.00 0.00 O ATOM 588 CB CYS A 393 -8.988 1.712 -0.557 1.00 0.00 C ATOM 589 SG CYS A 393 -7.821 1.701 -1.958 1.00 0.00 S ATOM 0 H CYS A 393 -6.898 2.505 0.444 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.306 3.827 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.786 0.848 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.001 1.595 -0.943 1.00 0.00 H new ATOM 594 N LYS A 394 -10.903 2.065 1.356 1.00 0.00 N ATOM 595 CA LYS A 394 -11.844 1.794 2.434 1.00 0.00 C ATOM 596 C LYS A 394 -12.781 0.666 2.030 1.00 0.00 C ATOM 597 O LYS A 394 -13.531 0.781 1.060 1.00 0.00 O ATOM 598 CB LYS A 394 -12.636 3.057 2.783 1.00 0.00 C ATOM 599 CG LYS A 394 -13.616 2.873 3.932 1.00 0.00 C ATOM 600 CD LYS A 394 -14.204 4.202 4.386 1.00 0.00 C ATOM 601 CE LYS A 394 -14.983 4.887 3.273 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.543 6.195 3.712 1.00 0.00 N ATOM 0 H LYS A 394 -11.159 1.642 0.464 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.289 1.487 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.937 3.853 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.184 3.386 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.420 2.206 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.109 2.394 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.861 4.036 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -13.402 4.858 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -14.330 5.041 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.794 4.237 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -16.066 6.630 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.186 6.045 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.768 6.825 4.002 1.00 0.00 H new ATOM 616 N TRP A 395 -12.710 -0.436 2.766 1.00 0.00 N ATOM 617 CA TRP A 395 -13.526 -1.606 2.477 1.00 0.00 C ATOM 618 C TRP A 395 -14.970 -1.414 2.928 1.00 0.00 C ATOM 619 O TRP A 395 -15.232 -1.033 4.069 1.00 0.00 O ATOM 620 CB TRP A 395 -12.926 -2.839 3.156 1.00 0.00 C ATOM 621 CG TRP A 395 -13.565 -4.128 2.736 1.00 0.00 C ATOM 622 CD1 TRP A 395 -14.123 -5.069 3.552 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.699 -4.623 1.398 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.602 -6.117 2.803 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.354 -5.866 1.479 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.333 -4.134 0.141 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.648 -6.627 0.350 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.625 -4.890 -0.978 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.277 -6.125 -0.868 1.00 0.00 C ATOM 0 H TRP A 395 -12.092 -0.543 3.571 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.533 -1.749 1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.860 -2.883 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -13.022 -2.731 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.180 -5.000 4.628 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -15.066 -6.947 3.173 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.831 -3.182 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.151 -7.579 0.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.346 -4.522 -1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.491 -6.692 -1.762 1.00 0.00 H new ATOM 640 N HIS A 396 -15.904 -1.705 2.027 1.00 0.00 N ATOM 641 CA HIS A 396 -17.326 -1.590 2.329 1.00 0.00 C ATOM 642 C HIS A 396 -17.968 -2.970 2.385 1.00 0.00 C ATOM 643 O HIS A 396 -18.262 -3.574 1.349 1.00 0.00 O ATOM 644 CB HIS A 396 -18.037 -0.724 1.287 1.00 0.00 C ATOM 645 CG HIS A 396 -17.686 0.729 1.374 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.108 1.559 0.472 1.00 0.00 N flip ATOM 647 CD2 HIS A 396 -17.936 1.495 2.491 1.00 0.00 C flip ATOM 648 CE1 HIS A 396 -17.022 2.798 1.057 1.00 0.00 C flip ATOM 649 NE2 HIS A 396 -17.529 2.733 2.274 1.00 0.00 N flip ATOM 0 H HIS A 396 -15.700 -2.023 1.080 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.428 -1.111 3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.788 -1.090 0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.114 -0.837 1.407 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -16.795 1.310 -0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -18.393 1.139 3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.607 3.682 0.596 1.00 0.00 H new ATOM 658 N ASN A 397 -18.176 -3.463 3.602 1.00 0.00 N ATOM 659 CA ASN A 397 -18.777 -4.773 3.811 1.00 0.00 C ATOM 660 C ASN A 397 -20.269 -4.751 3.507 1.00 0.00 C ATOM 661 O ASN A 397 -20.955 -3.766 3.782 1.00 0.00 O ATOM 662 CB ASN A 397 -18.538 -5.244 5.247 1.00 0.00 C ATOM 663 CG ASN A 397 -19.073 -4.268 6.277 1.00 0.00 C ATOM 664 OD1 ASN A 397 -20.273 -3.997 6.331 1.00 0.00 O ATOM 665 ND2 ASN A 397 -18.181 -3.731 7.101 1.00 0.00 N ATOM 0 H ASN A 397 -17.935 -2.971 4.462 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.302 -5.473 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.012 -6.215 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.469 -5.385 5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -18.481 -3.066 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.196 -3.984 7.021 1.00 0.00 H new ATOM 672 N ASP A 398 -20.762 -5.845 2.935 1.00 0.00 N ATOM 673 CA ASP A 398 -22.172 -5.968 2.588 1.00 0.00 C ATOM 674 C ASP A 398 -22.605 -4.853 1.640 1.00 0.00 C ATOM 675 O ASP A 398 -23.734 -4.367 1.712 1.00 0.00 O ATOM 676 CB ASP A 398 -23.035 -5.948 3.852 1.00 0.00 C ATOM 677 CG ASP A 398 -22.697 -7.081 4.800 1.00 0.00 C ATOM 678 OD1 ASP A 398 -22.824 -8.255 4.393 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.303 -6.795 5.951 1.00 0.00 O ATOM 0 H ASP A 398 -20.201 -6.664 2.701 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.310 -6.921 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.901 -4.996 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.086 -6.014 3.572 1.00 0.00 H new ATOM 684 N ALA A 399 -21.704 -4.462 0.745 1.00 0.00 N ATOM 685 CA ALA A 399 -21.996 -3.416 -0.229 1.00 0.00 C ATOM 686 C ALA A 399 -22.776 -3.984 -1.407 1.00 0.00 C ATOM 687 O ALA A 399 -22.556 -3.596 -2.556 1.00 0.00 O ATOM 688 CB ALA A 399 -20.704 -2.781 -0.710 1.00 0.00 C ATOM 0 H ALA A 399 -20.765 -4.854 0.674 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.608 -2.653 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.931 -2.001 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.175 -2.345 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.077 -3.541 -1.177 1.00 0.00 H new ATOM 694 N GLU A 400 -23.666 -4.927 -1.103 1.00 0.00 N ATOM 695 CA GLU A 400 -24.486 -5.605 -2.106 1.00 0.00 C ATOM 696 C GLU A 400 -23.650 -6.645 -2.839 1.00 0.00 C ATOM 697 O GLU A 400 -24.158 -7.681 -3.268 1.00 0.00 O ATOM 698 CB GLU A 400 -25.087 -4.606 -3.103 1.00 0.00 C ATOM 699 CG GLU A 400 -25.961 -3.546 -2.451 1.00 0.00 C ATOM 700 CD GLU A 400 -26.528 -2.556 -3.452 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.236 -2.695 -4.659 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.262 -1.639 -3.029 1.00 0.00 O ATOM 0 H GLU A 400 -23.840 -5.244 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.311 -6.101 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.278 -4.115 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.679 -5.151 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.781 -4.032 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.376 -3.007 -1.705 1.00 0.00 H new ATOM 709 N ASN A 401 -22.360 -6.351 -2.969 1.00 0.00 N ATOM 710 CA ASN A 401 -21.414 -7.229 -3.641 1.00 0.00 C ATOM 711 C ASN A 401 -19.993 -6.851 -3.244 1.00 0.00 C ATOM 712 O ASN A 401 -19.040 -7.113 -3.979 1.00 0.00 O ATOM 713 CB ASN A 401 -21.574 -7.088 -5.150 1.00 0.00 C ATOM 714 CG ASN A 401 -22.882 -7.655 -5.658 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.079 -8.869 -5.692 1.00 0.00 O ATOM 716 ND2 ASN A 401 -23.795 -6.768 -6.030 1.00 0.00 N ATOM 0 H ASN A 401 -21.942 -5.493 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.608 -8.261 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.511 -6.034 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.747 -7.594 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.707 -7.083 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.586 -5.771 -5.984 1.00 0.00 H new ATOM 723 N LYS A 402 -19.869 -6.220 -2.076 1.00 0.00 N ATOM 724 CA LYS A 402 -18.576 -5.773 -1.560 1.00 0.00 C ATOM 725 C LYS A 402 -17.980 -4.702 -2.471 1.00 0.00 C ATOM 726 O LYS A 402 -17.934 -4.869 -3.689 1.00 0.00 O ATOM 727 CB LYS A 402 -17.602 -6.950 -1.418 1.00 0.00 C ATOM 728 CG LYS A 402 -17.971 -7.932 -0.312 1.00 0.00 C ATOM 729 CD LYS A 402 -19.226 -8.727 -0.645 1.00 0.00 C ATOM 730 CE LYS A 402 -19.007 -9.645 -1.838 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.932 -10.644 -1.580 1.00 0.00 N ATOM 0 H LYS A 402 -20.657 -6.006 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.738 -5.344 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.557 -7.487 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.603 -6.560 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -17.141 -8.619 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -18.125 -7.387 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -19.523 -9.319 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -20.046 -8.041 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.936 -10.164 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.746 -9.048 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.981 -11.399 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.004 -10.177 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.059 -11.054 -0.633 1.00 0.00 H new ATOM 745 N LYS A 403 -17.536 -3.591 -1.883 1.00 0.00 N ATOM 746 CA LYS A 403 -16.966 -2.501 -2.673 1.00 0.00 C ATOM 747 C LYS A 403 -15.832 -1.785 -1.938 1.00 0.00 C ATOM 748 O LYS A 403 -15.936 -1.486 -0.750 1.00 0.00 O ATOM 749 CB LYS A 403 -18.054 -1.485 -3.032 1.00 0.00 C ATOM 750 CG LYS A 403 -19.240 -2.091 -3.765 1.00 0.00 C ATOM 751 CD LYS A 403 -20.222 -1.022 -4.217 1.00 0.00 C ATOM 752 CE LYS A 403 -21.391 -1.630 -4.979 1.00 0.00 C ATOM 753 NZ LYS A 403 -22.347 -0.593 -5.455 1.00 0.00 N ATOM 0 H LYS A 403 -17.559 -3.423 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.553 -2.945 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.408 -1.008 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.617 -0.702 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.886 -2.651 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.748 -2.801 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.595 -0.478 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.709 -0.299 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.014 -2.194 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -21.914 -2.337 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.127 -1.050 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -22.728 -0.071 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.855 0.068 -6.090 1.00 0.00 H new ATOM 767 N CYS A 404 -14.759 -1.497 -2.673 1.00 0.00 N ATOM 768 CA CYS A 404 -13.604 -0.793 -2.120 1.00 0.00 C ATOM 769 C CYS A 404 -13.480 0.585 -2.766 1.00 0.00 C ATOM 770 O CYS A 404 -13.586 0.711 -3.984 1.00 0.00 O ATOM 771 CB CYS A 404 -12.320 -1.597 -2.358 1.00 0.00 C ATOM 772 SG CYS A 404 -10.821 -0.837 -1.649 1.00 0.00 S ATOM 0 H CYS A 404 -14.666 -1.742 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.748 -0.677 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.444 -2.593 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.177 -1.723 -3.431 1.00 0.00 H new ATOM 777 N THR A 405 -13.270 1.616 -1.952 1.00 0.00 N ATOM 778 CA THR A 405 -13.151 2.979 -2.468 1.00 0.00 C ATOM 779 C THR A 405 -12.138 3.794 -1.670 1.00 0.00 C ATOM 780 O THR A 405 -11.989 3.611 -0.463 1.00 0.00 O ATOM 781 CB THR A 405 -14.508 3.707 -2.448 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.014 3.761 -1.109 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.512 3.001 -3.345 1.00 0.00 C ATOM 0 H THR A 405 -13.179 1.536 -0.939 1.00 0.00 H new ATOM 0 HA THR A 405 -12.805 2.892 -3.498 1.00 0.00 H new ATOM 0 HB THR A 405 -14.359 4.720 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.759 4.396 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.463 3.533 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.137 2.985 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.657 1.979 -2.995 1.00 0.00 H new ATOM 791 N LEU A 406 -11.437 4.692 -2.361 1.00 0.00 N ATOM 792 CA LEU A 406 -10.430 5.536 -1.732 1.00 0.00 C ATOM 793 C LEU A 406 -11.062 6.476 -0.719 1.00 0.00 C ATOM 794 O LEU A 406 -12.171 6.973 -0.916 1.00 0.00 O ATOM 795 CB LEU A 406 -9.665 6.322 -2.797 1.00 0.00 C ATOM 796 CG LEU A 406 -8.380 7.019 -2.335 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.690 8.327 -1.631 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.567 6.101 -1.434 1.00 0.00 C ATOM 0 H LEU A 406 -11.551 4.852 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.728 4.896 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.411 5.640 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.334 7.077 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.785 7.248 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.760 8.799 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.220 8.991 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.313 8.132 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.659 6.614 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.158 5.834 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.301 5.197 -1.981 1.00 0.00 H new ATOM 810 N ASP A 407 -10.343 6.712 0.370 1.00 0.00 N ATOM 811 CA ASP A 407 -10.821 7.590 1.431 1.00 0.00 C ATOM 812 C ASP A 407 -9.836 8.728 1.676 1.00 0.00 C ATOM 813 O ASP A 407 -8.629 8.508 1.766 1.00 0.00 O ATOM 814 CB ASP A 407 -11.037 6.792 2.719 1.00 0.00 C ATOM 815 CG ASP A 407 -11.579 7.648 3.846 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.663 8.244 3.671 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.921 7.718 4.905 1.00 0.00 O ATOM 0 H ASP A 407 -9.423 6.306 0.543 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.772 8.021 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.729 5.973 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.093 6.344 3.028 1.00 0.00 H new ATOM 822 N LYS A 408 -10.363 9.942 1.779 1.00 0.00 N ATOM 823 CA LYS A 408 -9.535 11.121 2.009 1.00 0.00 C ATOM 824 C LYS A 408 -8.867 11.067 3.380 1.00 0.00 C ATOM 825 O LYS A 408 -7.701 11.433 3.525 1.00 0.00 O ATOM 826 CB LYS A 408 -10.379 12.390 1.879 1.00 0.00 C ATOM 827 CG LYS A 408 -11.556 12.449 2.839 1.00 0.00 C ATOM 828 CD LYS A 408 -12.413 13.679 2.589 1.00 0.00 C ATOM 829 CE LYS A 408 -13.605 13.733 3.532 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.490 14.896 3.242 1.00 0.00 N ATOM 0 H LYS A 408 -11.362 10.137 1.707 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.750 11.137 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -9.741 13.258 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.752 12.463 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -12.164 11.551 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.190 12.461 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.808 14.577 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.765 13.674 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -14.178 12.810 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -13.251 13.794 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.290 14.897 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.950 15.778 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.848 14.825 2.268 1.00 0.00 H new ATOM 844 N GLU A 409 -9.614 10.613 4.380 1.00 0.00 N ATOM 845 CA GLU A 409 -9.093 10.514 5.741 1.00 0.00 C ATOM 846 C GLU A 409 -7.915 9.543 5.808 1.00 0.00 C ATOM 847 O GLU A 409 -6.892 9.832 6.429 1.00 0.00 O ATOM 848 CB GLU A 409 -10.196 10.063 6.701 1.00 0.00 C ATOM 849 CG GLU A 409 -11.403 10.987 6.720 1.00 0.00 C ATOM 850 CD GLU A 409 -11.050 12.400 7.141 1.00 0.00 C ATOM 851 OE1 GLU A 409 -10.535 12.573 8.265 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.292 13.333 6.348 1.00 0.00 O ATOM 0 H GLU A 409 -10.582 10.308 4.275 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.742 11.502 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.521 9.061 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.784 9.996 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.854 11.010 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -12.153 10.585 7.402 1.00 0.00 H new ATOM 859 N GLU A 410 -8.064 8.390 5.165 1.00 0.00 N ATOM 860 CA GLU A 410 -7.008 7.384 5.154 1.00 0.00 C ATOM 861 C GLU A 410 -5.807 7.862 4.345 1.00 0.00 C ATOM 862 O GLU A 410 -4.661 7.696 4.760 1.00 0.00 O ATOM 863 CB GLU A 410 -7.534 6.066 4.581 1.00 0.00 C ATOM 864 CG GLU A 410 -8.675 5.467 5.385 1.00 0.00 C ATOM 865 CD GLU A 410 -8.275 5.140 6.812 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.363 4.308 6.998 1.00 0.00 O ATOM 867 OE2 GLU A 410 -8.873 5.720 7.743 1.00 0.00 O ATOM 0 H GLU A 410 -8.903 8.129 4.646 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.687 7.221 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -7.870 6.233 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -6.716 5.347 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -9.512 6.165 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.024 4.560 4.893 1.00 0.00 H new ATOM 874 N ALA A 411 -6.081 8.450 3.185 1.00 0.00 N ATOM 875 CA ALA A 411 -5.029 8.947 2.304 1.00 0.00 C ATOM 876 C ALA A 411 -4.182 10.022 2.979 1.00 0.00 C ATOM 877 O ALA A 411 -2.955 10.004 2.878 1.00 0.00 O ATOM 878 CB ALA A 411 -5.633 9.483 1.015 1.00 0.00 C ATOM 0 H ALA A 411 -7.027 8.595 2.832 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.371 8.110 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.838 9.851 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.175 8.685 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.319 10.298 1.246 1.00 0.00 H new ATOM 884 N LYS A 412 -4.832 10.963 3.660 1.00 0.00 N ATOM 885 CA LYS A 412 -4.114 12.039 4.334 1.00 0.00 C ATOM 886 C LYS A 412 -3.206 11.485 5.429 1.00 0.00 C ATOM 887 O LYS A 412 -2.075 11.942 5.595 1.00 0.00 O ATOM 888 CB LYS A 412 -5.087 13.069 4.920 1.00 0.00 C ATOM 889 CG LYS A 412 -6.026 12.503 5.970 1.00 0.00 C ATOM 890 CD LYS A 412 -6.957 13.569 6.529 1.00 0.00 C ATOM 891 CE LYS A 412 -6.190 14.645 7.282 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.421 14.080 8.425 1.00 0.00 N ATOM 0 H LYS A 412 -5.846 11.002 3.759 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.493 12.539 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.514 13.885 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.679 13.496 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.616 11.698 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.443 12.067 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.519 14.025 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.683 13.105 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.507 15.150 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.887 15.398 7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.568 14.671 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.748 13.112 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -4.409 14.062 8.187 1.00 0.00 H new