USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 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 394 LYS NZ :NH3+ 160:sc= -0.707 (180deg=-0.252) USER MOD Set 1.2: A 396 HIS : no HE2:sc= 0.249 K(o=0.77,f=-7.2!) USER MOD Set 1.3: A 405 THR OG1 : rot -87:sc= 1.23 USER MOD Set 2.1: A 380 SER OG : rot 180:sc= 0.265 USER MOD Set 2.2: A 384 LYS NZ :NH3+ -113:sc= 0.249 (180deg=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -1.73 F(o=-6.5!,f=-1.7) USER MOD Single : A 383 LYS NZ :NH3+ -165:sc= -0.0551 (180deg=-0.301) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.0936 K(o=0.094,f=-3.8!) 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 397 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.598 F(o=-5.1!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ 163:sc= -0.0641 (180deg=-0.359) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.328 5.356 -2.760 1.00 0.00 N ATOM 340 CA GLU A 376 -3.903 5.218 -4.092 1.00 0.00 C ATOM 341 C GLU A 376 -4.873 6.364 -4.377 1.00 0.00 C ATOM 342 O GLU A 376 -4.706 7.472 -3.867 1.00 0.00 O ATOM 343 CB GLU A 376 -4.613 3.863 -4.211 1.00 0.00 C ATOM 344 CG GLU A 376 -3.724 2.677 -3.871 1.00 0.00 C ATOM 345 CD GLU A 376 -2.583 2.493 -4.857 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.512 3.261 -5.840 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.764 1.574 -4.649 1.00 0.00 O ATOM 0 HA GLU A 376 -3.103 5.262 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.480 3.857 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.987 3.746 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.314 2.811 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.329 1.770 -3.849 1.00 0.00 H new ATOM 354 N THR A 377 -5.884 6.096 -5.195 1.00 0.00 N ATOM 355 CA THR A 377 -6.871 7.107 -5.551 1.00 0.00 C ATOM 356 C THR A 377 -8.245 6.478 -5.720 1.00 0.00 C ATOM 357 O THR A 377 -8.358 5.273 -5.933 1.00 0.00 O ATOM 358 CB THR A 377 -6.483 7.837 -6.850 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.474 6.915 -7.946 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.110 8.482 -6.715 1.00 0.00 C ATOM 0 H THR A 377 -6.042 5.185 -5.625 1.00 0.00 H new ATOM 0 HA THR A 377 -6.900 7.832 -4.738 1.00 0.00 H new ATOM 0 HB THR A 377 -7.220 8.618 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.228 7.387 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.855 8.992 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.125 9.203 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.366 7.713 -6.507 1.00 0.00 H new ATOM 368 N GLU A 378 -9.286 7.298 -5.602 1.00 0.00 N ATOM 369 CA GLU A 378 -10.658 6.815 -5.723 1.00 0.00 C ATOM 370 C GLU A 378 -10.814 5.904 -6.933 1.00 0.00 C ATOM 371 O GLU A 378 -11.454 4.856 -6.855 1.00 0.00 O ATOM 372 CB GLU A 378 -11.630 7.991 -5.833 1.00 0.00 C ATOM 373 CG GLU A 378 -13.091 7.572 -5.841 1.00 0.00 C ATOM 374 CD GLU A 378 -14.032 8.743 -6.044 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.926 9.417 -7.090 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.877 8.985 -5.156 1.00 0.00 O ATOM 0 H GLU A 378 -9.206 8.299 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.889 6.241 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.672 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.414 8.546 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.251 6.840 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.329 7.079 -4.899 1.00 0.00 H new ATOM 383 N GLY A 379 -10.226 6.311 -8.048 1.00 0.00 N ATOM 384 CA GLY A 379 -10.313 5.523 -9.260 1.00 0.00 C ATOM 385 C GLY A 379 -9.632 4.176 -9.140 1.00 0.00 C ATOM 386 O GLY A 379 -10.142 3.173 -9.638 1.00 0.00 O ATOM 0 H GLY A 379 -9.689 7.174 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.362 5.372 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.863 6.080 -10.082 1.00 0.00 H new ATOM 390 N SER A 380 -8.477 4.152 -8.488 1.00 0.00 N ATOM 391 CA SER A 380 -7.726 2.913 -8.318 1.00 0.00 C ATOM 392 C SER A 380 -8.423 1.956 -7.352 1.00 0.00 C ATOM 393 O SER A 380 -8.566 0.767 -7.637 1.00 0.00 O ATOM 394 CB SER A 380 -6.319 3.218 -7.823 1.00 0.00 C ATOM 395 OG SER A 380 -5.572 2.029 -7.637 1.00 0.00 O ATOM 0 H SER A 380 -8.040 4.973 -8.069 1.00 0.00 H new ATOM 0 HA SER A 380 -7.672 2.423 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.810 3.862 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.373 3.768 -6.883 1.00 0.00 H new ATOM 0 HG SER A 380 -4.672 2.254 -7.320 1.00 0.00 H new ATOM 401 N CYS A 381 -8.842 2.483 -6.206 1.00 0.00 N ATOM 402 CA CYS A 381 -9.508 1.681 -5.182 1.00 0.00 C ATOM 403 C CYS A 381 -10.735 0.960 -5.732 1.00 0.00 C ATOM 404 O CYS A 381 -10.914 -0.236 -5.501 1.00 0.00 O ATOM 405 CB CYS A 381 -9.917 2.566 -4.006 1.00 0.00 C ATOM 406 SG CYS A 381 -8.526 3.418 -3.197 1.00 0.00 S ATOM 0 H CYS A 381 -8.732 3.467 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.798 0.925 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.631 3.311 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.433 1.954 -3.267 1.00 0.00 H new ATOM 411 N ASN A 382 -11.579 1.691 -6.454 1.00 0.00 N ATOM 412 CA ASN A 382 -12.789 1.113 -7.028 1.00 0.00 C ATOM 413 C ASN A 382 -12.451 -0.112 -7.863 1.00 0.00 C ATOM 414 O ASN A 382 -13.206 -1.084 -7.900 1.00 0.00 O ATOM 415 CB ASN A 382 -13.517 2.143 -7.896 1.00 0.00 C ATOM 416 CG ASN A 382 -13.912 3.395 -7.134 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.549 3.462 -5.857 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.534 4.300 -7.691 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.448 2.682 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.443 0.814 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.876 2.422 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.411 1.685 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.794 4.210 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.789 5.139 -7.170 1.00 0.00 H new ATOM 425 N LYS A 383 -11.311 -0.048 -8.536 1.00 0.00 N ATOM 426 CA LYS A 383 -10.857 -1.138 -9.385 1.00 0.00 C ATOM 427 C LYS A 383 -10.299 -2.289 -8.554 1.00 0.00 C ATOM 428 O LYS A 383 -10.362 -3.448 -8.966 1.00 0.00 O ATOM 429 CB LYS A 383 -9.790 -0.632 -10.356 1.00 0.00 C ATOM 430 CG LYS A 383 -10.232 0.577 -11.169 1.00 0.00 C ATOM 431 CD LYS A 383 -11.432 0.263 -12.051 1.00 0.00 C ATOM 432 CE LYS A 383 -11.097 -0.783 -13.104 1.00 0.00 C ATOM 433 NZ LYS A 383 -9.989 -0.337 -13.993 1.00 0.00 N ATOM 0 H LYS A 383 -10.680 0.753 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.714 -1.509 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.892 -0.374 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.519 -1.438 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.482 1.396 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.404 0.918 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.255 -0.094 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.773 1.175 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.817 -1.715 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.983 -0.992 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -9.957 -0.943 -14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.150 0.650 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.085 -0.406 -13.483 1.00 0.00 H new ATOM 447 N LYS A 384 -9.734 -1.964 -7.393 1.00 0.00 N ATOM 448 CA LYS A 384 -9.149 -2.969 -6.529 1.00 0.00 C ATOM 449 C LYS A 384 -10.181 -3.930 -5.983 1.00 0.00 C ATOM 450 O LYS A 384 -11.341 -3.581 -5.767 1.00 0.00 O ATOM 451 CB LYS A 384 -8.408 -2.308 -5.380 1.00 0.00 C ATOM 452 CG LYS A 384 -7.265 -1.458 -5.857 1.00 0.00 C ATOM 453 CD LYS A 384 -6.261 -2.273 -6.617 1.00 0.00 C ATOM 454 CE LYS A 384 -5.762 -1.485 -7.793 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.441 -0.848 -7.531 1.00 0.00 N ATOM 0 H LYS A 384 -9.672 -1.011 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.451 -3.545 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.102 -1.693 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.031 -3.075 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.644 -0.658 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.781 -0.984 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.429 -2.542 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.715 -3.204 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.680 -2.142 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.490 -0.714 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -4.553 0.186 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.072 -1.178 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.775 -1.106 -8.287 1.00 0.00 H new ATOM 469 N ASP A 385 -9.719 -5.138 -5.744 1.00 0.00 N ATOM 470 CA ASP A 385 -10.555 -6.195 -5.186 1.00 0.00 C ATOM 471 C ASP A 385 -10.443 -6.183 -3.668 1.00 0.00 C ATOM 472 O ASP A 385 -9.732 -5.353 -3.111 1.00 0.00 O ATOM 473 CB ASP A 385 -10.143 -7.561 -5.737 1.00 0.00 C ATOM 474 CG ASP A 385 -10.378 -7.680 -7.231 1.00 0.00 C ATOM 475 OD1 ASP A 385 -9.817 -6.862 -7.988 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.121 -8.596 -7.643 1.00 0.00 O ATOM 0 H ASP A 385 -8.757 -5.421 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.591 -6.013 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.088 -7.732 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.703 -8.341 -5.221 1.00 0.00 H new ATOM 481 N GLN A 386 -11.139 -7.098 -3.001 1.00 0.00 N ATOM 482 CA GLN A 386 -11.097 -7.163 -1.542 1.00 0.00 C ATOM 483 C GLN A 386 -9.658 -7.116 -1.037 1.00 0.00 C ATOM 484 O GLN A 386 -9.302 -6.265 -0.222 1.00 0.00 O ATOM 485 CB GLN A 386 -11.783 -8.436 -1.040 1.00 0.00 C ATOM 486 CG GLN A 386 -11.806 -8.551 0.476 1.00 0.00 C ATOM 487 CD GLN A 386 -12.501 -9.809 0.959 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.666 -10.049 0.640 1.00 0.00 O ATOM 489 NE2 GLN A 386 -11.793 -10.614 1.742 1.00 0.00 N ATOM 0 H GLN A 386 -11.734 -7.800 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.631 -6.296 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.806 -8.460 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.271 -9.304 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.783 -8.539 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.310 -7.680 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -10.830 -10.376 1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.212 -11.471 2.105 1.00 0.00 H new ATOM 498 N ASN A 387 -8.833 -8.029 -1.535 1.00 0.00 N ATOM 499 CA ASN A 387 -7.438 -8.096 -1.148 1.00 0.00 C ATOM 500 C ASN A 387 -6.674 -6.861 -1.618 1.00 0.00 C ATOM 501 O ASN A 387 -5.747 -6.400 -0.952 1.00 0.00 O ATOM 502 CB ASN A 387 -6.806 -9.354 -1.737 1.00 0.00 C ATOM 503 CG ASN A 387 -6.874 -9.381 -3.251 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.956 -9.350 -3.836 1.00 0.00 O ATOM 505 ND2 ASN A 387 -5.714 -9.441 -3.893 1.00 0.00 N ATOM 0 H ASN A 387 -9.114 -8.737 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.384 -8.131 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.764 -9.416 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.312 -10.233 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -5.696 -9.463 -4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -4.841 -9.465 -3.367 1.00 0.00 H new ATOM 512 N GLU A 388 -7.063 -6.338 -2.778 1.00 0.00 N ATOM 513 CA GLU A 388 -6.407 -5.166 -3.347 1.00 0.00 C ATOM 514 C GLU A 388 -6.878 -3.879 -2.683 1.00 0.00 C ATOM 515 O GLU A 388 -6.241 -2.837 -2.836 1.00 0.00 O ATOM 516 CB GLU A 388 -6.642 -5.104 -4.854 1.00 0.00 C ATOM 517 CG GLU A 388 -6.103 -6.311 -5.603 1.00 0.00 C ATOM 518 CD GLU A 388 -6.252 -6.178 -7.105 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.395 -5.995 -7.574 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.227 -6.257 -7.813 1.00 0.00 O ATOM 0 H GLU A 388 -7.829 -6.708 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.338 -5.262 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.712 -5.017 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.174 -4.202 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.050 -6.447 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.627 -7.206 -5.267 1.00 0.00 H new ATOM 527 N CYS A 389 -7.979 -3.949 -1.936 1.00 0.00 N ATOM 528 CA CYS A 389 -8.486 -2.769 -1.253 1.00 0.00 C ATOM 529 C CYS A 389 -7.393 -2.247 -0.332 1.00 0.00 C ATOM 530 O CYS A 389 -7.176 -2.775 0.760 1.00 0.00 O ATOM 531 CB CYS A 389 -9.757 -3.099 -0.464 1.00 0.00 C ATOM 532 SG CYS A 389 -10.734 -1.637 0.023 1.00 0.00 S ATOM 0 H CYS A 389 -8.527 -4.797 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.752 -2.003 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.384 -3.757 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.481 -3.653 0.433 1.00 0.00 H new ATOM 537 N LYS A 390 -6.675 -1.240 -0.810 1.00 0.00 N ATOM 538 CA LYS A 390 -5.556 -0.670 -0.069 1.00 0.00 C ATOM 539 C LYS A 390 -6.008 0.093 1.170 1.00 0.00 C ATOM 540 O LYS A 390 -7.169 0.486 1.286 1.00 0.00 O ATOM 541 CB LYS A 390 -4.746 0.234 -0.989 1.00 0.00 C ATOM 542 CG LYS A 390 -4.172 -0.496 -2.196 1.00 0.00 C ATOM 543 CD LYS A 390 -3.036 -1.426 -1.800 1.00 0.00 C ATOM 544 CE LYS A 390 -2.471 -2.154 -3.008 1.00 0.00 C ATOM 545 NZ LYS A 390 -1.358 -3.070 -2.638 1.00 0.00 N ATOM 0 H LYS A 390 -6.848 -0.798 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.933 -1.493 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.379 1.051 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.930 0.681 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.960 -1.070 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.811 0.231 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.246 -0.852 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.395 -2.152 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.264 -2.724 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.114 -1.425 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.002 -3.546 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.589 -2.523 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -1.704 -3.782 -1.963 1.00 0.00 H new ATOM 559 N SER A 391 -5.071 0.280 2.098 1.00 0.00 N ATOM 560 CA SER A 391 -5.343 0.980 3.353 1.00 0.00 C ATOM 561 C SER A 391 -6.041 2.316 3.105 1.00 0.00 C ATOM 562 O SER A 391 -7.094 2.578 3.687 1.00 0.00 O ATOM 563 CB SER A 391 -4.046 1.197 4.135 1.00 0.00 C ATOM 564 OG SER A 391 -4.291 1.874 5.356 1.00 0.00 O ATOM 0 H SER A 391 -4.109 -0.046 2.003 1.00 0.00 H new ATOM 0 HA SER A 391 -6.013 0.356 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.575 0.235 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.346 1.774 3.530 1.00 0.00 H new ATOM 0 HG SER A 391 -3.446 1.998 5.836 1.00 0.00 H new ATOM 570 N PRO A 392 -5.485 3.183 2.230 1.00 0.00 N ATOM 571 CA PRO A 392 -6.092 4.474 1.917 1.00 0.00 C ATOM 572 C PRO A 392 -7.556 4.307 1.543 1.00 0.00 C ATOM 573 O PRO A 392 -8.398 5.143 1.871 1.00 0.00 O ATOM 574 CB PRO A 392 -5.280 4.973 0.711 1.00 0.00 C ATOM 575 CG PRO A 392 -4.508 3.792 0.237 1.00 0.00 C ATOM 576 CD PRO A 392 -4.246 2.990 1.464 1.00 0.00 C ATOM 0 HA PRO A 392 -6.072 5.165 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.935 5.354 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.615 5.788 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.074 3.218 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.578 4.095 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.069 1.939 1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.372 3.349 2.006 1.00 0.00 H new ATOM 584 N CYS A 393 -7.843 3.207 0.858 1.00 0.00 N ATOM 585 CA CYS A 393 -9.199 2.893 0.433 1.00 0.00 C ATOM 586 C CYS A 393 -10.010 2.340 1.598 1.00 0.00 C ATOM 587 O CYS A 393 -9.502 1.558 2.403 1.00 0.00 O ATOM 588 CB CYS A 393 -9.181 1.856 -0.686 1.00 0.00 C ATOM 589 SG CYS A 393 -7.820 2.050 -1.882 1.00 0.00 S ATOM 0 H CYS A 393 -7.148 2.513 0.584 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.657 3.814 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -9.117 0.863 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.128 1.904 -1.223 1.00 0.00 H new ATOM 594 N LYS A 394 -11.275 2.723 1.666 1.00 0.00 N ATOM 595 CA LYS A 394 -12.163 2.240 2.714 1.00 0.00 C ATOM 596 C LYS A 394 -12.937 1.032 2.207 1.00 0.00 C ATOM 597 O LYS A 394 -13.642 1.112 1.201 1.00 0.00 O ATOM 598 CB LYS A 394 -13.126 3.340 3.166 1.00 0.00 C ATOM 599 CG LYS A 394 -13.980 2.946 4.361 1.00 0.00 C ATOM 600 CD LYS A 394 -14.866 4.091 4.823 1.00 0.00 C ATOM 601 CE LYS A 394 -15.905 4.446 3.776 1.00 0.00 C ATOM 602 NZ LYS A 394 -16.861 3.330 3.541 1.00 0.00 N ATOM 0 H LYS A 394 -11.711 3.368 1.007 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.562 1.948 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.553 4.232 3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.779 3.604 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.601 2.089 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.335 2.632 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.364 3.815 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.251 4.965 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -16.453 5.332 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -15.406 4.699 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -17.726 3.701 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.425 2.626 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -17.101 2.881 4.448 1.00 0.00 H new ATOM 616 N TRP A 395 -12.784 -0.092 2.894 1.00 0.00 N ATOM 617 CA TRP A 395 -13.451 -1.322 2.495 1.00 0.00 C ATOM 618 C TRP A 395 -14.942 -1.293 2.817 1.00 0.00 C ATOM 619 O TRP A 395 -15.335 -1.255 3.983 1.00 0.00 O ATOM 620 CB TRP A 395 -12.796 -2.522 3.184 1.00 0.00 C ATOM 621 CG TRP A 395 -13.408 -3.837 2.807 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.901 -4.782 3.661 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.587 -4.357 1.484 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.382 -5.854 2.950 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.200 -5.619 1.613 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.293 -3.881 0.202 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.523 -6.406 0.510 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.613 -4.664 -0.890 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.223 -5.913 -0.731 1.00 0.00 C ATOM 0 H TRP A 395 -12.204 -0.177 3.729 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.346 -1.415 1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.735 -2.539 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.867 -2.394 4.264 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.911 -4.698 4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.806 -6.690 3.352 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.824 -2.918 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.993 -7.371 0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.388 -4.306 -1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.462 -6.500 -1.605 1.00 0.00 H new ATOM 640 N HIS A 396 -15.767 -1.340 1.774 1.00 0.00 N ATOM 641 CA HIS A 396 -17.216 -1.351 1.943 1.00 0.00 C ATOM 642 C HIS A 396 -17.691 -2.761 2.271 1.00 0.00 C ATOM 643 O HIS A 396 -17.850 -3.599 1.375 1.00 0.00 O ATOM 644 CB HIS A 396 -17.921 -0.853 0.681 1.00 0.00 C ATOM 645 CG HIS A 396 -17.685 0.594 0.380 1.00 0.00 C ATOM 646 ND1 HIS A 396 -18.050 1.611 1.236 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.134 1.194 -0.700 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.736 2.773 0.692 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.178 2.548 -0.483 1.00 0.00 N ATOM 0 H HIS A 396 -15.456 -1.371 0.803 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.466 -0.680 2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.587 -1.449 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.993 -1.021 0.786 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -18.493 1.486 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.733 0.699 -1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.907 3.743 1.134 1.00 0.00 H new ATOM 658 N ASN A 397 -17.906 -3.009 3.561 1.00 0.00 N ATOM 659 CA ASN A 397 -18.355 -4.310 4.040 1.00 0.00 C ATOM 660 C ASN A 397 -19.867 -4.456 3.893 1.00 0.00 C ATOM 661 O ASN A 397 -20.607 -3.476 3.975 1.00 0.00 O ATOM 662 CB ASN A 397 -17.944 -4.503 5.503 1.00 0.00 C ATOM 663 CG ASN A 397 -18.305 -5.876 6.036 1.00 0.00 C ATOM 664 OD1 ASN A 397 -19.480 -6.229 6.137 1.00 0.00 O ATOM 665 ND2 ASN A 397 -17.290 -6.660 6.382 1.00 0.00 N ATOM 0 H ASN A 397 -17.774 -2.317 4.298 1.00 0.00 H new ATOM 0 HA ASN A 397 -17.880 -5.080 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -16.869 -4.353 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.427 -3.742 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -17.470 -7.595 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -16.331 -6.327 6.282 1.00 0.00 H new ATOM 672 N ASP A 398 -20.313 -5.691 3.676 1.00 0.00 N ATOM 673 CA ASP A 398 -21.734 -5.988 3.515 1.00 0.00 C ATOM 674 C ASP A 398 -22.301 -5.277 2.288 1.00 0.00 C ATOM 675 O ASP A 398 -23.482 -4.933 2.241 1.00 0.00 O ATOM 676 CB ASP A 398 -22.510 -5.584 4.772 1.00 0.00 C ATOM 677 CG ASP A 398 -23.962 -6.018 4.725 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.213 -7.237 4.617 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.846 -5.139 4.792 1.00 0.00 O ATOM 0 H ASP A 398 -19.706 -6.508 3.607 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.843 -7.062 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.031 -6.024 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.462 -4.502 4.892 1.00 0.00 H new ATOM 684 N ALA A 399 -21.451 -5.078 1.287 1.00 0.00 N ATOM 685 CA ALA A 399 -21.862 -4.427 0.049 1.00 0.00 C ATOM 686 C ALA A 399 -22.668 -5.392 -0.813 1.00 0.00 C ATOM 687 O ALA A 399 -22.557 -6.608 -0.657 1.00 0.00 O ATOM 688 CB ALA A 399 -20.646 -3.916 -0.714 1.00 0.00 C ATOM 0 H ALA A 399 -20.471 -5.359 1.309 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.494 -3.574 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.971 -3.433 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.106 -3.197 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.990 -4.752 -0.955 1.00 0.00 H new ATOM 694 N GLU A 400 -23.472 -4.849 -1.725 1.00 0.00 N ATOM 695 CA GLU A 400 -24.285 -5.674 -2.614 1.00 0.00 C ATOM 696 C GLU A 400 -23.425 -6.751 -3.265 1.00 0.00 C ATOM 697 O GLU A 400 -23.919 -7.806 -3.663 1.00 0.00 O ATOM 698 CB GLU A 400 -24.948 -4.813 -3.690 1.00 0.00 C ATOM 699 CG GLU A 400 -25.861 -3.735 -3.129 1.00 0.00 C ATOM 700 CD GLU A 400 -26.508 -2.892 -4.212 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.241 -3.150 -5.406 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.280 -1.973 -3.867 1.00 0.00 O ATOM 0 H GLU A 400 -23.577 -3.844 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.065 -6.152 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.173 -4.342 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.525 -5.457 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.639 -4.202 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.287 -3.088 -2.465 1.00 0.00 H new ATOM 709 N ASN A 401 -22.130 -6.469 -3.360 1.00 0.00 N ATOM 710 CA ASN A 401 -21.176 -7.397 -3.951 1.00 0.00 C ATOM 711 C ASN A 401 -19.747 -6.972 -3.626 1.00 0.00 C ATOM 712 O ASN A 401 -18.864 -7.020 -4.482 1.00 0.00 O ATOM 713 CB ASN A 401 -21.378 -7.469 -5.467 1.00 0.00 C ATOM 714 CG ASN A 401 -21.186 -6.129 -6.167 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.925 -5.074 -5.399 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.278 -6.045 -7.391 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.715 -5.597 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.346 -8.387 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.679 -8.193 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.382 -7.839 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.479 -6.877 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.153 -5.143 -7.851 1.00 0.00 H new ATOM 723 N LYS A 402 -19.537 -6.549 -2.376 1.00 0.00 N ATOM 724 CA LYS A 402 -18.224 -6.096 -1.914 1.00 0.00 C ATOM 725 C LYS A 402 -17.778 -4.860 -2.686 1.00 0.00 C ATOM 726 O LYS A 402 -17.774 -4.853 -3.917 1.00 0.00 O ATOM 727 CB LYS A 402 -17.179 -7.210 -2.054 1.00 0.00 C ATOM 728 CG LYS A 402 -17.349 -8.350 -1.058 1.00 0.00 C ATOM 729 CD LYS A 402 -18.617 -9.151 -1.312 1.00 0.00 C ATOM 730 CE LYS A 402 -18.547 -9.907 -2.629 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.411 -10.872 -2.656 1.00 0.00 N ATOM 0 H LYS A 402 -20.265 -6.511 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.313 -5.836 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.228 -7.615 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.185 -6.779 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -16.485 -9.012 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.373 -7.945 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -18.773 -9.856 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -19.476 -8.480 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -19.482 -10.443 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.440 -9.198 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.557 -11.559 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -16.522 -10.357 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -17.360 -11.374 -1.747 1.00 0.00 H new ATOM 745 N LYS A 403 -17.411 -3.803 -1.962 1.00 0.00 N ATOM 746 CA LYS A 403 -16.983 -2.567 -2.610 1.00 0.00 C ATOM 747 C LYS A 403 -15.771 -1.954 -1.916 1.00 0.00 C ATOM 748 O LYS A 403 -15.529 -2.197 -0.739 1.00 0.00 O ATOM 749 CB LYS A 403 -18.133 -1.563 -2.634 1.00 0.00 C ATOM 750 CG LYS A 403 -19.336 -2.034 -3.437 1.00 0.00 C ATOM 751 CD LYS A 403 -19.019 -2.131 -4.922 1.00 0.00 C ATOM 752 CE LYS A 403 -18.667 -0.773 -5.511 1.00 0.00 C ATOM 753 NZ LYS A 403 -18.349 -0.860 -6.962 1.00 0.00 N ATOM 0 H LYS A 403 -17.401 -3.778 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.692 -2.813 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.447 -1.359 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.774 -0.622 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.660 -3.008 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.167 -1.344 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.188 -2.820 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.877 -2.546 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -19.501 -0.087 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.813 -0.357 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.115 0.087 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -17.537 -1.495 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.173 -1.233 -7.476 1.00 0.00 H new ATOM 767 N CYS A 404 -15.016 -1.153 -2.665 1.00 0.00 N ATOM 768 CA CYS A 404 -13.825 -0.486 -2.140 1.00 0.00 C ATOM 769 C CYS A 404 -13.666 0.883 -2.798 1.00 0.00 C ATOM 770 O CYS A 404 -13.681 0.993 -4.024 1.00 0.00 O ATOM 771 CB CYS A 404 -12.576 -1.339 -2.399 1.00 0.00 C ATOM 772 SG CYS A 404 -11.032 -0.637 -1.728 1.00 0.00 S ATOM 0 H CYS A 404 -15.210 -0.949 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.941 -0.356 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.730 -2.327 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.461 -1.476 -3.474 1.00 0.00 H new ATOM 777 N THR A 405 -13.522 1.928 -1.983 1.00 0.00 N ATOM 778 CA THR A 405 -13.372 3.286 -2.507 1.00 0.00 C ATOM 779 C THR A 405 -12.397 4.104 -1.667 1.00 0.00 C ATOM 780 O THR A 405 -12.439 4.071 -0.440 1.00 0.00 O ATOM 781 CB THR A 405 -14.718 4.032 -2.558 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.236 4.199 -1.234 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.729 3.280 -3.412 1.00 0.00 C ATOM 0 H THR A 405 -13.506 1.862 -0.965 1.00 0.00 H new ATOM 0 HA THR A 405 -12.982 3.179 -3.519 1.00 0.00 H new ATOM 0 HB THR A 405 -14.546 5.010 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.760 3.409 -0.986 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.670 3.830 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.346 3.182 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.896 2.289 -2.990 1.00 0.00 H new ATOM 791 N LEU A 406 -11.523 4.837 -2.348 1.00 0.00 N ATOM 792 CA LEU A 406 -10.523 5.670 -1.694 1.00 0.00 C ATOM 793 C LEU A 406 -11.164 6.666 -0.736 1.00 0.00 C ATOM 794 O LEU A 406 -12.245 7.195 -0.994 1.00 0.00 O ATOM 795 CB LEU A 406 -9.700 6.408 -2.752 1.00 0.00 C ATOM 796 CG LEU A 406 -8.433 7.113 -2.259 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.768 8.410 -1.546 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.632 6.194 -1.353 1.00 0.00 C ATOM 0 H LEU A 406 -11.488 4.870 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.870 5.023 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.415 5.693 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.341 7.150 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.824 7.359 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.848 8.887 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.292 9.077 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.405 8.199 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.735 6.711 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.238 5.913 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.347 5.298 -1.904 1.00 0.00 H new ATOM 810 N ASP A 407 -10.472 6.917 0.364 1.00 0.00 N ATOM 811 CA ASP A 407 -10.937 7.854 1.377 1.00 0.00 C ATOM 812 C ASP A 407 -9.905 8.958 1.576 1.00 0.00 C ATOM 813 O ASP A 407 -8.711 8.684 1.684 1.00 0.00 O ATOM 814 CB ASP A 407 -11.186 7.122 2.695 1.00 0.00 C ATOM 815 CG ASP A 407 -11.826 8.007 3.747 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.097 9.189 3.449 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.059 7.516 4.871 1.00 0.00 O ATOM 0 H ASP A 407 -9.576 6.480 0.580 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.873 8.301 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.829 6.261 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.240 6.738 3.076 1.00 0.00 H new ATOM 822 N LYS A 408 -10.366 10.204 1.609 1.00 0.00 N ATOM 823 CA LYS A 408 -9.468 11.341 1.779 1.00 0.00 C ATOM 824 C LYS A 408 -8.771 11.306 3.136 1.00 0.00 C ATOM 825 O LYS A 408 -7.551 11.447 3.215 1.00 0.00 O ATOM 826 CB LYS A 408 -10.236 12.654 1.623 1.00 0.00 C ATOM 827 CG LYS A 408 -10.955 12.791 0.290 1.00 0.00 C ATOM 828 CD LYS A 408 -9.990 12.734 -0.886 1.00 0.00 C ATOM 829 CE LYS A 408 -9.002 13.891 -0.861 1.00 0.00 C ATOM 830 NZ LYS A 408 -8.057 13.839 -2.011 1.00 0.00 N ATOM 0 H LYS A 408 -11.352 10.452 1.521 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.704 11.276 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.966 12.735 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.541 13.486 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.693 11.995 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.500 13.735 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.445 11.790 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -10.552 12.756 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -9.547 14.835 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -8.440 13.868 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -7.401 14.644 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -7.518 12.950 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -8.591 13.887 -2.902 1.00 0.00 H new ATOM 844 N GLU A 409 -9.548 11.124 4.201 1.00 0.00 N ATOM 845 CA GLU A 409 -8.996 11.080 5.554 1.00 0.00 C ATOM 846 C GLU A 409 -7.923 10.003 5.675 1.00 0.00 C ATOM 847 O GLU A 409 -6.814 10.266 6.147 1.00 0.00 O ATOM 848 CB GLU A 409 -10.107 10.828 6.580 1.00 0.00 C ATOM 849 CG GLU A 409 -11.004 12.032 6.842 1.00 0.00 C ATOM 850 CD GLU A 409 -11.762 12.499 5.613 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.121 13.025 4.680 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.000 12.336 5.585 1.00 0.00 O ATOM 0 H GLU A 409 -10.560 11.005 4.154 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.537 12.047 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.724 9.999 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.653 10.516 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.718 11.780 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.395 12.854 7.218 1.00 0.00 H new ATOM 859 N GLU A 410 -8.256 8.795 5.240 1.00 0.00 N ATOM 860 CA GLU A 410 -7.318 7.680 5.292 1.00 0.00 C ATOM 861 C GLU A 410 -6.093 7.978 4.436 1.00 0.00 C ATOM 862 O GLU A 410 -4.961 7.707 4.836 1.00 0.00 O ATOM 863 CB GLU A 410 -7.993 6.392 4.816 1.00 0.00 C ATOM 864 CG GLU A 410 -9.183 5.978 5.669 1.00 0.00 C ATOM 865 CD GLU A 410 -9.827 4.691 5.188 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.339 4.116 4.192 1.00 0.00 O ATOM 867 OE2 GLU A 410 -10.820 4.257 5.810 1.00 0.00 O ATOM 0 H GLU A 410 -9.168 8.562 4.847 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.999 7.545 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.323 6.524 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.259 5.586 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.859 5.853 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.925 6.776 5.662 1.00 0.00 H new ATOM 874 N ALA A 411 -6.333 8.547 3.259 1.00 0.00 N ATOM 875 CA ALA A 411 -5.258 8.897 2.339 1.00 0.00 C ATOM 876 C ALA A 411 -4.275 9.864 2.991 1.00 0.00 C ATOM 877 O ALA A 411 -3.064 9.763 2.794 1.00 0.00 O ATOM 878 CB ALA A 411 -5.834 9.510 1.071 1.00 0.00 C ATOM 0 H ALA A 411 -7.267 8.776 2.919 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.719 7.986 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.023 9.768 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.498 8.792 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.395 10.410 1.324 1.00 0.00 H new ATOM 884 N LYS A 412 -4.809 10.801 3.768 1.00 0.00 N ATOM 885 CA LYS A 412 -3.994 11.795 4.455 1.00 0.00 C ATOM 886 C LYS A 412 -3.025 11.138 5.433 1.00 0.00 C ATOM 887 O LYS A 412 -1.843 11.475 5.471 1.00 0.00 O ATOM 888 CB LYS A 412 -4.890 12.778 5.207 1.00 0.00 C ATOM 889 CG LYS A 412 -5.783 13.611 4.302 1.00 0.00 C ATOM 890 CD LYS A 412 -6.768 14.447 5.105 1.00 0.00 C ATOM 891 CE LYS A 412 -6.056 15.443 6.008 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.015 16.228 6.833 1.00 0.00 N ATOM 0 H LYS A 412 -5.811 10.892 3.938 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.414 12.329 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.515 12.223 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.264 13.446 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.168 14.266 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.329 12.955 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.431 14.982 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.394 13.791 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.365 14.911 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.459 16.123 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.491 16.895 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.658 16.756 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.567 15.582 7.433 1.00 0.00 H new